0 B11R0.40 C#CC(=O)CC#CCCCCC 1458a_100000211873_100009816472 [0,0,0,0,0,0|1,0,3]=4 1 B11R0.40 C#CC(=O)CCCCCCC#N 1458a_100000211873_100009813337 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.40 C#CC(=O)CCCCCCC=C 1458a_100000211873_100011215473 [0,0,0,0,0,0|1,0,3]=4 3 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,0,0,0,0,0|1,0,1]=2 4 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [0,0,0,0,0,0|2,0,1]=3 6 B11R0.40 C#CC(=O)CCCOCCOC 1458a_100000211873_100011216529 [0,0,0,0,0,0|3,0,1]=4 7 B11R0.40 C#CC(=O)CCOCCOCC 1458a_100000211873_100011211534 [0,0,0,0,0,0|3,0,1]=4 8 B11R0.40 C#CCCCCCCC(=O)C#C 1458a_100000211873_100012276617 [0,0,0,0,0,0|1,0,3]=4 9 B11R0.40 C#CCCCCCCC(=O)C=C 1458a_100000185746_100012276617 [0,0,0,0,0,0|1,0,3]=4 10 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [0,0,0,0,0,0|1,0,2]=3 15 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [0,0,0,0,0,0|1,0,2]=3 16 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [0,0,0,0,0,0|1,0,2]=3 17 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [0,0,0,0,0,0|1,0,2]=3 18 B11R0.40 C#CCCCCNCC(=O)NC 2230a_100000693194_100010269958 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.40 C#CCCCCNCC(=O)NC 2230a_100000706060_100000183359 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.40 C#CCCCCNCC(=O)NC 34a_100000706060_100000183359 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.40 C#CCCCCNCC(=O)OC 2230a_100000706060_100000747449 [0,0,0,0,0,0|1,0,2]=3 22 B11R0.40 C#CCCCCNCC(=O)OC 34a_100000706060_100000747449 [0,0,0,0,0,0|1,0,2]=3 23 B11R0.40 C#CCCCCOCC(=O)CC 34a_100000725409_100010269958 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.40 C#CCCCCOCC(=O)CC 7a_100000766709_100000747405 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.40 C#CCCCCOCC(=O)NC 34a_100000750040_100010269958 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.40 C#CCCCCOCC(=O)NC 34a_100000766709_100000183359 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.40 C#CCCCCOCC(=O)NC 7a_100000766709_100000183359 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.40 C#CCCCCOCC(=O)OC 34a_100000766709_100000747449 [0,0,0,0,0,0|1,0,2]=3 29 B11R0.40 C#CCCCCOCC(=O)OC 7a_100000766709_100000747449 [0,0,0,0,0,0|1,0,2]=3 30 B11R0.40 C#CCCCCSCC(=O)CC 62a_100000747405_100010269958 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.40 C#CCCCCSCC(=O)CC 62a_100010269958_100000747405 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.40 C#CCCCCSCC(=O)NC 62a_100000183359_100010269958 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.40 C#CCCCCSCC(=O)NC 62a_100010269958_100000183359 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.40 C#CCCCCSCC(=O)OC 62a_100000747449_100010269958 [0,0,0,0,0,0|1,0,2]=3 35 B11R0.40 C#CCCCCSCC(=O)OC 62a_100010269958_100000747449 [0,0,0,0,0,0|1,0,2]=3 36 B11R0.40 C#CCCCNCCC(=O)NC 2230a_100000738227_100000731252 [0,0,0,0,0,0|2,0,2]=4 37 B11R0.40 C#CCCCNCCC(=O)NC 34a_100000718082_100012179268 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.40 C#CCCCNCCC(=O)NC 34a_100000738227_100000695029 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.40 C#CCCCNCCC(=O)OC 34a_100000718082_100000742370 [0,0,0,0,0,0|1,0,2]=3 40 B11R0.40 C#CCCCOCCC(=O)NC 34a_100000215630_100012179268 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.40 C#CCCCOCCC(=O)NC 34a_100000754576_100000695029 [0,0,0,0,0,0|2,0,2]=4 42 B11R0.40 C#CCCCOCCC(=O)NC 7a_100000215630_100000737683 [0,0,0,0,0,0|2,0,2]=4 43 B11R0.40 C#CCCCOCCC(=O)OC 34a_100000215630_100000742370 [0,0,0,0,0,0|1,0,2]=3 44 B11R0.40 C#CCCCOCCC(=O)OC 7a_100000215630_100000204255 [0,0,0,0,0,0|1,0,2]=3 45 B11R0.40 C#CCCCSCCC(=O)NC 62a_100000737683_100011215417 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.40 C#CCCCSCCC(=O)NC 62a_100011215417_100000737683 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.40 C#CCCCSCCC(=O)OC 62a_100000204255_100011215417 [0,0,0,0,0,0|1,0,2]=3 48 B11R0.40 C#CCCCSCCC(=O)OC 62a_100011215417_100000204255 [0,0,0,0,0,0|1,0,2]=3 49 B11R0.40 C#CCCCSCOC(=O)OC 62a_100011215417_100000139417 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.40 C#CCCNCCCC(=O)NC 2230a_100000740002_100000688953 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.40 C#CCCNCCCC(=O)NC 34a_100000740002_100000688953 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.40 C#CCCNCCCC(=O)NC 34a_100000755551_100000741757 [0,0,0,0,0,0|2,0,2]=4 53 B11R0.40 C#CCCNCCCC(=O)OC 34a_100000755551_100000742333 [0,0,0,0,0,0|1,0,2]=3 54 B11R0.40 C#CCCOCCCC(=O)NC 34a_100011215631_100000741757 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.40 C#CCCOCCCC(=O)OC 34a_100011215631_100000742333 [0,0,0,0,0,0|1,0,2]=3 56 B11R0.40 C#CCCOCCNC(=O)OC 34a_100000757965_100000688953 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.40 C#CCCOCCOC(=O)OC 34a_100010262106_100000688953 [0,0,0,0,0,0|2,0,2]=4 58 B11R0.40 C#CCCSCCCC(=O)NC 62a_100000688953_100000741757 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.40 C#CCCSCCCC(=O)NC 62a_100000741757_100000688953 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.40 C#CCCSCCCC(=O)OC 62a_100000688953_100011218270 [0,0,0,0,0,0|1,0,2]=3 61 B11R0.40 C#CCCSCCCC(=O)OC 62a_100011218270_100000688953 [0,0,0,0,0,0|1,0,2]=3 62 B11R0.40 C#CCNCCCCC(=O)OC 34a_100000212058_100000204269 [0,0,0,0,0,0|1,0,2]=3 63 B11R0.40 C#CCNCCOCC(=O)OC 34a_100000212058_100000090808 [0,0,0,0,0,0|2,0,2]=4 64 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000059025_100000184674 [0,0,0,0,0,0|1,0,2]=3 65 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000210247_100000204269 [0,0,0,0,0,0|1,0,2]=3 66 B11R0.40 C#CCOCCCCC(=O)OC 7a_100000059025_100000038162 [0,0,0,0,0,0|1,0,2]=3 67 B11R0.40 C#CCOCCNCC(=O)OC 2230a_100000700922_100000747449 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.40 C#CCOCCNCC(=O)OC 34a_100000700922_100000747449 [0,0,0,0,0,0|2,0,2]=4 69 B11R0.40 C#CCOCCOCC(=O)OC 34a_100000054580_100000747449 [0,0,0,0,0,0|2,0,2]=4 70 B11R0.40 C#CCOCCOCC(=O)OC 34a_100000210247_100000090808 [0,0,0,0,0,0|2,0,2]=4 71 B11R0.40 C#CCOCCOCC(=O)OC 7a_100000054580_100000747449 [0,0,0,0,0,0|2,0,2]=4 72 B11R0.40 C#CCOCCSCC(=O)OC 62a_100000747449_100010402529 [0,0,0,0,0,0|2,0,2]=4 73 B11R0.40 C#CCOCCSCC(=O)OC 62a_100010402529_100000747449 [0,0,0,0,0,0|2,0,2]=4 74 B11R0.40 C#CCSCCCCC(=O)OC 62a_100000038162_100000204269 [0,0,0,0,0,0|1,0,2]=3 75 B11R0.40 C#CCSCCOCC(=O)OC 62a_100000038162_100000090808 [0,0,0,0,0,0|2,0,2]=4 76 B11R0.40 C/C=C/CCOCCC(=O)NC 34a_100016278192_100012179268 [0,0,0,0,0,0|2,0,2]=4 77 B11R0.40 C/C=C/CCOCCC(=O)OC 34a_100016278192_100000742370 [0,0,0,0,0,0|1,0,2]=3 78 B11R0.40 C/C=C/CNCCCC(=O)NC 34a_100000740002_100102629194 [0,0,0,0,0,0|2,0,2]=4 79 B11R0.40 C/C=C/COCCCC(=O)NC 34a_100016270725_100000741757 [0,0,0,0,0,0|2,0,2]=4 80 B11R0.40 C/C=C/COCCCC(=O)OC 34a_100016270725_100000742333 [0,0,0,0,0,0|1,0,2]=3 81 B11R0.40 C/C=C/COCCNC(=O)OC 34a_100000757965_100102629194 [0,0,0,0,0,0|2,0,2]=4 82 B11R0.40 C/C=C/COCCOC(=O)OC 34a_100010262106_100102629194 [0,0,0,0,0,0|2,0,2]=4 83 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100000741757_100102629194 [0,0,0,0,0,0|2,0,2]=4 84 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100102629194_100000741757 [0,0,0,0,0,0|2,0,2]=4 85 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100011218270_100102629194 [0,0,0,0,0,0|1,0,2]=3 86 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100102629194_100011218270 [0,0,0,0,0,0|1,0,2]=3 87 B11R0.40 C=C(C#N)CNCCCCCC 2230a_100000210581_100000694840 [0,0,0,0,0,0|4,0,0]=4 88 B11R0.40 C=C(C#N)COCCCCCC 34a_100000210259_100000694840 [0,0,0,0,0,0|4,0,0]=4 89 B11R0.40 C=C(C#N)CSCCCCCC 62a_100000210314_100000694840 [0,0,0,0,0,0|4,0,0]=4 90 B11R0.40 C=CC(=O)CC#CCCCCC 1458a_100000185746_100009816472 [0,0,0,0,0,0|1,0,3]=4 91 B11R0.40 C=CC(=O)CCCCCCC#N 1458a_100000185746_100009813337 [0,0,0,0,0,0|2,0,2]=4 92 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,0,0,0,0,0|1,0,1]=2 93 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,0,0,0,0,0|2,0,1]=3 94 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,0,0,0,0,0|2,0,1]=3 95 B11R0.40 C=CC(=O)CCCOCCOC 1458a_100000185746_100011216529 [0,0,0,0,0,0|3,0,1]=4 96 B11R0.40 C=CC(=O)CCOCCOCC 1458a_100000185746_100011211534 [0,0,0,0,0,0|3,0,1]=4 97 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,0,0,0,0,0|2,0,1]=3 98 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,0,0,0,0,0|2,0,1]=3 99 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [0,0,0,0,0,0|3,0,1]=4 100 B11R0.40 C=CC(=O)NCCCCCOC 1626a_100000747528_100000185746 [0,0,0,0,0,0|3,0,1]=4 101 B11R0.40 C=CC(=O)NCCCCCOC 240690a_100000747528_200121576911 [0,0,0,0,0,0|3,0,1]=4 102 B11R0.40 C=CC(=O)NCCCCOCC 34a_100014118770_100000210202 [0,0,0,0,0,0|3,0,1]=4 103 B11R0.40 C=CC(=O)NCCCOCCC 1626a_100011217757_100000185746 [0,0,0,0,0,0|3,0,1]=4 104 B11R0.40 C=CC(=O)NCCCOCCC 240690a_100011217757_200121576911 [0,0,0,0,0,0|3,0,1]=4 105 B11R0.40 C=CC(=O)NCCNCCCC 2230a_114873766552_100000210211 [0,0,0,0,0,0|3,0,1]=4 106 B11R0.40 C=CC(=O)NCCOCCCC 34a_100011304386_100000210210 [0,0,0,0,0,0|3,0,1]=4 107 B11R0.40 C=CC(=O)NCCSCCCC 1626a_100025743550_100000185746 [0,0,0,0,0,0|3,0,1]=4 108 B11R0.40 C=CC(=O)NCCSCCCC 240690a_100025743550_200121576911 [0,0,0,0,0,0|3,0,1]=4 109 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [0,0,0,0,0,0|3,0,1]=4 110 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [0,0,0,0,0,0|3,0,1]=4 111 B11R0.40 C=CC(=O)OCCNCCCC 2230a_100000102301_100009813456 [0,0,0,0,0,0|3,0,1]=4 112 B11R0.40 C=CC(=O)OCCNCCCC 7a_106832991798_100009813456 [0,0,0,0,0,0|3,0,1]=4 113 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [0,0,0,0,0,0|3,0,1]=4 114 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [0,0,0,0,0,0|3,0,1]=4 115 B11R0.40 C=CC(=O)OCCSCCCC 62a_100000210211_100009813456 [0,0,0,0,0,0|3,0,1]=4 116 B11R0.40 C=CC(=O)OCCSCCCC 62a_100009813456_100000210210 [0,0,0,0,0,0|3,0,1]=4 117 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [0,0,0,0,0,0|1,0,3]=4 118 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,0,0,0,0,0|1,0,2]=3 119 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,0,0,0,0,0|1,0,2]=3 120 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [0,0,0,0,0,0|2,0,2]=4 121 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,0,0,0,0,0|2,0,2]=4 122 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [0,0,0,0,0,0|1,0,2]=3 123 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [0,0,0,0,0,0|1,0,2]=3 124 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [0,0,0,0,0,0|1,0,2]=3 125 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [0,0,0,0,0,0|1,0,2]=3 126 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000693194_100011215482 [0,0,0,0,0,0|2,0,2]=4 127 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000703577_100000183359 [0,0,0,0,0,0|2,0,2]=4 128 B11R0.40 C=CCCCCNCC(=O)NC 34a_100000703577_100000183359 [0,0,0,0,0,0|2,0,2]=4 129 B11R0.40 C=CCCCCNCC(=O)OC 2230a_100000703577_100000747449 [0,0,0,0,0,0|1,0,2]=3 130 B11R0.40 C=CCCCCNCC(=O)OC 34a_100000703577_100000747449 [0,0,0,0,0,0|1,0,2]=3 131 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [0,0,0,0,0,0|2,0,2]=4 132 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [0,0,0,0,0,0|2,0,2]=4 133 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000750040_100011215482 [0,0,0,0,0,0|2,0,2]=4 134 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000766645_100000183359 [0,0,0,0,0,0|2,0,2]=4 135 B11R0.40 C=CCCCCOCC(=O)NC 7a_100000766645_100000183359 [0,0,0,0,0,0|2,0,2]=4 136 B11R0.40 C=CCCCCOCC(=O)OC 34a_100000766645_100000747449 [0,0,0,0,0,0|1,0,2]=3 137 B11R0.40 C=CCCCCOCC(=O)OC 7a_100000766645_100000747449 [0,0,0,0,0,0|1,0,2]=3 138 B11R0.40 C=CCCCCSCC(=O)CC 62a_100000747405_100011215482 [0,0,0,0,0,0|2,0,2]=4 139 B11R0.40 C=CCCCCSCC(=O)CC 62a_100011215482_100000747405 [0,0,0,0,0,0|2,0,2]=4 140 B11R0.40 C=CCCCCSCC(=O)NC 62a_100000183359_100011215482 [0,0,0,0,0,0|2,0,2]=4 141 B11R0.40 C=CCCCCSCC(=O)NC 62a_100011215482_100000183359 [0,0,0,0,0,0|2,0,2]=4 142 B11R0.40 C=CCCCCSCC(=O)OC 62a_100000747449_100011215482 [0,0,0,0,0,0|1,0,2]=3 143 B11R0.40 C=CCCCCSCC(=O)OC 62a_100011215482_100000747449 [0,0,0,0,0,0|1,0,2]=3 144 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000700776_100000737683 [0,0,0,0,0,0|2,0,2]=4 145 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000738227_100011713584 [0,0,0,0,0,0|2,0,2]=4 146 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000700776_100012179268 [0,0,0,0,0,0|2,0,2]=4 147 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000738227_100000757094 [0,0,0,0,0,0|2,0,2]=4 148 B11R0.40 C=CCCCNCCC(=O)OC 2230a_100000700776_100000204255 [0,0,0,0,0,0|1,0,2]=3 149 B11R0.40 C=CCCCNCCC(=O)OC 34a_100000700776_100000742370 [0,0,0,0,0,0|1,0,2]=3 150 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000754576_100000757094 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000758997_100012179268 [0,0,0,0,0,0|2,0,2]=4 152 B11R0.40 C=CCCCOCCC(=O)NC 7a_100000758997_100000737683 [0,0,0,0,0,0|2,0,2]=4 153 B11R0.40 C=CCCCOCCC(=O)OC 34a_100000758997_100000742370 [0,0,0,0,0,0|1,0,2]=3 154 B11R0.40 C=CCCCOCCC(=O)OC 7a_100000758997_100000204255 [0,0,0,0,0,0|1,0,2]=3 155 B11R0.40 C=CCCCSCCC(=O)NC 62a_100000737683_100000757094 [0,0,0,0,0,0|2,0,2]=4 156 B11R0.40 C=CCCCSCCC(=O)NC 62a_100011713584_100000737683 [0,0,0,0,0,0|2,0,2]=4 157 B11R0.40 C=CCCCSCCC(=O)OC 62a_100000204255_100000757094 [0,0,0,0,0,0|1,0,2]=3 158 B11R0.40 C=CCCCSCCC(=O)OC 62a_100011713584_100000204255 [0,0,0,0,0,0|1,0,2]=3 159 B11R0.40 C=CCCCSCOC(=O)OC 62a_100011713584_100000139417 [0,0,0,0,0,0|2,0,2]=4 160 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100000740002_100000754431 [0,0,0,0,0,0|2,0,2]=4 161 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100015191253_100000741757 [0,0,0,0,0,0|2,0,2]=4 162 B11R0.40 C=CCCNCCCC(=O)NC 34a_100000740002_100000754431 [0,0,0,0,0,0|2,0,2]=4 163 B11R0.40 C=CCCNCCCC(=O)OC 2230a_100015191253_100011218270 [0,0,0,0,0,0|1,0,2]=3 164 B11R0.40 C=CCCOCCCC(=O)NC 34a_100011205117_100000741757 [0,0,0,0,0,0|2,0,2]=4 165 B11R0.40 C=CCCOCCCC(=O)OC 34a_100011205117_100000742333 [0,0,0,0,0,0|1,0,2]=3 166 B11R0.40 C=CCCOCCNC(=O)OC 34a_100000757965_100000754431 [0,0,0,0,0,0|2,0,2]=4 167 B11R0.40 C=CCCOCCOC(=O)OC 34a_100010262106_100000754431 [0,0,0,0,0,0|2,0,2]=4 168 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000741757_100000754431 [0,0,0,0,0,0|2,0,2]=4 169 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000754431_100000741757 [0,0,0,0,0,0|2,0,2]=4 170 B11R0.40 C=CCCSCCCC(=O)OC 62a_100000754431_100011218270 [0,0,0,0,0,0|1,0,2]=3 171 B11R0.40 C=CCCSCCCC(=O)OC 62a_100011218270_100000754431 [0,0,0,0,0,0|1,0,2]=3 172 B11R0.40 C=CCNCCCCC(=O)OC 2230a_100020586998_100000204269 [0,0,0,0,0,0|1,0,2]=3 173 B11R0.40 C=CCNCCOCC(=O)OC 2230a_100020586998_100000090808 [0,0,0,0,0,0|2,0,2]=4 174 B11R0.40 C=CCOCCCCC(=O)OC 34a_100000059025_100015514636 [0,0,0,0,0,0|1,0,2]=3 175 B11R0.40 C=CCOCCCCC(=O)OC 34a_200000210373_100000204269 [0,0,0,0,0,0|1,0,2]=3 176 B11R0.40 C=CCOCCCCC(=O)OC 7a_100000059025_100015514636 [0,0,0,0,0,0|1,0,2]=3 177 B11R0.40 C=CCOCCOCC(=O)OC 34a_100000037705_100000747449 [0,0,0,0,0,0|2,0,2]=4 178 B11R0.40 C=CCOCCOCC(=O)OC 34a_200000210373_100000090808 [0,0,0,0,0,0|2,0,2]=4 179 B11R0.40 C=CCOCCOCC(=O)OC 7a_100000037705_100000747449 [0,0,0,0,0,0|2,0,2]=4 180 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000204269_100000210623 [0,0,0,0,0,0|1,0,2]=3 181 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000210623_100000204269 [0,0,0,0,0,0|1,0,2]=3 182 B11R0.40 C=CCSCCOCC(=O)OC 62a_100000090808_100000210623 [0,0,0,0,0,0|2,0,2]=4 183 B11R0.40 C=CCSCCOCC(=O)OC 62a_100000210623_100000090808 [0,0,0,0,0,0|2,0,2]=4 184 B11R0.40 C=COCCCNCC(=O)OC 2230a_100000210767_100000747449 [0,0,0,0,0,0|2,0,2]=4 185 B11R0.40 C=COCCCNCC(=O)OC 34a_100000210767_100000747449 [0,0,0,0,0,0|2,0,2]=4 186 B11R0.40 C=COCCOCCC(=O)OC 34a_100000033082_100000742370 [0,0,0,0,0,0|2,0,2]=4 187 B11R0.40 C=COCCSCCC(=O)OC 62a_100000039644_100000204255 [0,0,0,0,0,0|2,0,2]=4 188 B11R0.40 C=COCCSCCC(=O)OC 62a_100000204255_100000039644 [0,0,0,0,0,0|2,0,2]=4 189 B11R0.40 CC#CCCOCCC(=O)NC 34a_100000750427_100012179268 [0,0,0,0,0,0|2,0,2]=4 190 B11R0.40 CC#CCCOCCC(=O)OC 34a_100000750427_100000742370 [0,0,0,0,0,0|1,0,2]=3 191 B11R0.40 CC#CCNCCCC(=O)NC 2230a_100000685387_100000741757 [0,0,0,0,0,0|2,0,2]=4 192 B11R0.40 CC#CCNCCCC(=O)NC 2230a_100000740002_100000748600 [0,0,0,0,0,0|2,0,2]=4 193 B11R0.40 CC#CCNCCCC(=O)NC 34a_100000685387_100000741757 [0,0,0,0,0,0|2,0,2]=4 194 B11R0.40 CC#CCNCCCC(=O)NC 34a_100000740002_100000748600 [0,0,0,0,0,0|2,0,2]=4 195 B11R0.40 CC#CCNCCCC(=O)OC 2230a_100000685387_100011218270 [0,0,0,0,0,0|1,0,2]=3 196 B11R0.40 CC#CCNCCCC(=O)OC 34a_100000685387_100000742333 [0,0,0,0,0,0|1,0,2]=3 197 B11R0.40 CC#CCOCCCC(=O)NC 34a_100000761923_100000741757 [0,0,0,0,0,0|2,0,2]=4 198 B11R0.40 CC#CCOCCCC(=O)OC 34a_100000761923_100000742333 [0,0,0,0,0,0|1,0,2]=3 199 B11R0.40 CC#CCOCCNC(=O)OC 34a_100000757965_100000748600 [0,0,0,0,0,0|2,0,2]=4 200 B11R0.40 CC#CCOCCOC(=O)OC 34a_100010262106_100000748600 [0,0,0,0,0,0|2,0,2]=4 201 B11R0.40 CC#CCSCCCC(=O)NC 62a_100000741757_100000748600 [0,0,0,0,0,0|2,0,2]=4 202 B11R0.40 CC#CCSCCCC(=O)NC 62a_100000748600_100000741757 [0,0,0,0,0,0|2,0,2]=4 203 B11R0.40 CC#CCSCCCC(=O)OC 62a_100000748600_100011218270 [0,0,0,0,0,0|1,0,2]=3 204 B11R0.40 CC#CCSCCCC(=O)OC 62a_100011218270_100000748600 [0,0,0,0,0,0|1,0,2]=3 205 B11R0.40 CC/C=C\CCNCC(=O)NC 2230a_100000693194_100015370543 [0,0,0,0,0,0|2,0,2]=4 206 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [0,0,0,0,0,0|2,0,2]=4 207 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [0,0,0,0,0,0|2,0,2]=4 208 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100000750040_100015370543 [0,0,0,0,0,0|2,0,2]=4 209 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100016288707_100000183359 [0,0,0,0,0,0|2,0,2]=4 210 B11R0.40 CC/C=C\CCOCC(=O)NC 7a_100016288707_100000183359 [0,0,0,0,0,0|2,0,2]=4 211 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,0,0,0,0,0|1,0,2]=3 212 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,0,0,0,0,0|1,0,2]=3 213 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100000747405_100015370543 [0,0,0,0,0,0|2,0,2]=4 214 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100015370543_100000747405 [0,0,0,0,0,0|2,0,2]=4 215 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100000183359_100015370543 [0,0,0,0,0,0|2,0,2]=4 216 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100015370543_100000183359 [0,0,0,0,0,0|2,0,2]=4 217 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [0,0,0,0,0,0|1,0,2]=3 218 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [0,0,0,0,0,0|1,0,2]=3 219 B11R0.40 CC/C=C\CNCCC(=O)NC 2230a_100000738227_100103147603 [0,0,0,0,0,0|2,0,2]=4 220 B11R0.40 CC/C=C\CNCCC(=O)NC 34a_100000738227_100103147603 [0,0,0,0,0,0|2,0,2]=4 221 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100000754576_100103147603 [0,0,0,0,0,0|2,0,2]=4 222 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100016268518_100012179268 [0,0,0,0,0,0|2,0,2]=4 223 B11R0.40 CC/C=C\COCCC(=O)OC 34a_100016268518_100000742370 [0,0,0,0,0,0|1,0,2]=3 224 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100000737683_100103147603 [0,0,0,0,0,0|2,0,2]=4 225 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100103147603_100000737683 [0,0,0,0,0,0|2,0,2]=4 226 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [0,0,0,0,0,0|1,0,2]=3 227 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [0,0,0,0,0,0|1,0,2]=3 228 B11R0.40 CC/C=C\CSCOC(=O)OC 62a_100103147603_100000139417 [0,0,0,0,0,0|2,0,2]=4 229 B11R0.40 CC=C=CCCOCC(=O)OC 34a_100011020354_100000747449 [0,0,0,0,0,0|1,0,3]=4 230 B11R0.40 CC=CCCCOCC(=O)NC 34a_100020645299_100000183359 [0,0,0,0,0,0|2,0,2]=4 231 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [0,0,0,0,0,0|1,0,2]=3 232 B11R0.40 CC=CCNCCCC(=O)NC 2230a_100000740002_100000070051 [0,0,0,0,0,0|2,0,2]=4 233 B11R0.40 CC=CCNCCCC(=O)NC 34a_100000740002_100000070051 [0,0,0,0,0,0|2,0,2]=4 234 B11R0.40 CC=CCOCCNC(=O)OC 34a_100000757965_100000070051 [0,0,0,0,0,0|2,0,2]=4 235 B11R0.40 CC=CCOCCOC(=O)OC 34a_100010262106_100000070051 [0,0,0,0,0,0|2,0,2]=4 236 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000070051_100000741757 [0,0,0,0,0,0|2,0,2]=4 237 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000741757_100000070051 [0,0,0,0,0,0|2,0,2]=4 238 B11R0.40 CC=CCSCCCC(=O)OC 62a_100000070051_100011218270 [0,0,0,0,0,0|1,0,2]=3 239 B11R0.40 CC=CCSCCCC(=O)OC 62a_100011218270_100000070051 [0,0,0,0,0,0|1,0,2]=3 240 B11R0.40 CCC#CCCOCC(=O)CC 7a_100000036655_100000747405 [0,0,0,0,0,0|2,0,2]=4 241 B11R0.40 CCC#CCCOCC(=O)NC 34a_100000036655_100000183359 [0,0,0,0,0,0|2,0,2]=4 242 B11R0.40 CCC#CCCOCC(=O)NC 7a_100000036655_100000183359 [0,0,0,0,0,0|2,0,2]=4 243 B11R0.40 CCC#CCCOCC(=O)OC 34a_100000036655_100000747449 [0,0,0,0,0,0|1,0,2]=3 244 B11R0.40 CCC#CCCOCC(=O)OC 7a_100000036655_100000747449 [0,0,0,0,0,0|1,0,2]=3 245 B11R0.40 CCC#CCNCCC(=O)NC 2230a_100000738227_100009813939 [0,0,0,0,0,0|2,0,2]=4 246 B11R0.40 CCC#CCNCCC(=O)NC 34a_100000738227_100009813939 [0,0,0,0,0,0|2,0,2]=4 247 B11R0.40 CCC#CCOCCC(=O)NC 34a_100000032950_100012179268 [0,0,0,0,0,0|2,0,2]=4 248 B11R0.40 CCC#CCOCCC(=O)NC 34a_100000754576_100009813939 [0,0,0,0,0,0|2,0,2]=4 249 B11R0.40 CCC#CCOCCC(=O)OC 34a_100000032950_100000742370 [0,0,0,0,0,0|1,0,2]=3 250 B11R0.40 CCC#CCSCCC(=O)NC 62a_100000737683_100009813939 [0,0,0,0,0,0|2,0,2]=4 251 B11R0.40 CCC#CCSCCC(=O)NC 62a_100009813939_100000737683 [0,0,0,0,0,0|2,0,2]=4 252 B11R0.40 CCC#CCSCCC(=O)OC 62a_100000204255_100009813939 [0,0,0,0,0,0|1,0,2]=3 253 B11R0.40 CCC#CCSCCC(=O)OC 62a_100009813939_100000204255 [0,0,0,0,0,0|1,0,2]=3 254 B11R0.40 CCC#CCSCOC(=O)OC 62a_100009813939_100000139417 [0,0,0,0,0,0|2,0,2]=4 255 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,0,0,0,0,0|2,0,1]=3 256 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,0,0,0,0,0|2,0,0]=2 257 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,0,0,0,0,0|2,0,0]=2 258 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,0,0,0,0,0|2,0,0]=2 259 B11R0.40 CCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210202 [0,0,0,0,0,0|4,0,0]=4 260 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,0,0,0,0,0|3,0,0]=3 261 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,0,0,0,0,0|3,0,0]=3 262 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,0,0,0,0,0|3,0,0]=3 263 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,0,0,0,0,0|3,0,0]=3 264 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,0,0,0,0,0|3,0,0]=3 265 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,0,0,0,0,0|3,0,0]=3 266 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,0,0,0,0,0|3,0,0]=3 267 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,0,0,0,0,0|3,0,0]=3 268 B11R0.40 CCC(=O)COCCOCCBr 7a_100000692535_100000747405 [0,0,0,0,0,0|4,0,0]=4 269 B11R0.40 CCC(=O)COCCOCCCl 7a_100011215305_100000747405 [0,0,0,0,0,0|4,0,0]=4 270 B11R0.40 CCC(=O)COCCOCCF 7a_200015357709_100000747405 [0,0,0,0,0,0|4,0,0]=4 271 B11R0.40 CCC(=O)COCCOCCI 7a_100012149058_100000747405 [0,0,0,0,0,0|4,0,0]=4 272 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [0,0,0,0,0,0|4,0,0]=4 273 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [0,0,0,0,0,0|4,0,0]=4 274 B11R0.40 CCC(=O)CSCCCCC#N 62a_100000747405_100000211819 [0,0,0,0,0,0|3,0,1]=4 275 B11R0.40 CCC(=O)CSCCCCC#N 62a_100011219923_100000747405 [0,0,0,0,0,0|3,0,1]=4 276 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000139335_100000747405 [0,0,0,0,0,0|3,0,1]=4 277 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000747405_100000139335 [0,0,0,0,0,0|3,0,1]=4 278 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,0,0,0,0,0|3,0,0]=3 279 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,0,0,0,0,0|3,0,0]=3 280 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,0,0,0,0,0|3,0,0]=3 281 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,0,0,0,0,0|3,0,0]=3 282 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,0,0,0,0,0|3,0,0]=3 283 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,0,0,0,0,0|3,0,0]=3 284 B11R0.40 CCC(=O)CSCCOCCO 62a_100000747405_100011215305 [0,0,0,0,0,0|4,0,0]=4 285 B11R0.40 CCC(=O)CSCCOCCO 62a_100011215305_100000747405 [0,0,0,0,0,0|4,0,0]=4 286 B11R0.40 CCC(=O)CSCOCCOC 62a_100000231047_100000747405 [0,0,0,0,0,0|4,0,0]=4 287 B11R0.40 CCC(=O)CSCOCCOC 62a_100000747405_100000231047 [0,0,0,0,0,0|4,0,0]=4 288 B11R0.40 CCC(=O)NCCCCCC#N 11a_100000061152_100000210414 [0,0,0,0,0,0|3,0,1]=4 289 B11R0.40 CCC(=O)NCCCCCC#N 1626a_100000061152_100000210414 [0,0,0,0,0,0|3,0,1]=4 290 B11R0.40 CCC(=O)NCCCCCC#N 240690a_100000061152_100000210414 [0,0,0,0,0,0|3,0,1]=4 291 B11R0.40 CCC(=O)NCCCCCC#N 527a_100000061152_100000210414 [0,0,0,0,0,0|3,0,1]=4 292 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,0,0,0,0,0|3,0,0]=3 293 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,0,0,0,0,0|3,0,0]=3 294 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,0,0,0,0,0|3,0,0]=3 295 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,0,0,0,0,0|3,0,0]=3 296 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,0,0,0,0,0|3,0,0]=3 297 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,0,0,0,0,0|3,0,0]=3 298 B11R0.40 CCC(=O)NCCNCCCF 34a_100132302217_100011934791 [0,0,0,0,0,0|4,0,0]=4 299 B11R0.40 CCC(=O)NCCNCCCO 34a_100132302217_100000230001 [0,0,0,0,0,0|4,0,0]=4 300 B11R0.40 CCC(=O)NCCNCCOC 34a_100132302217_100011201679 [0,0,0,0,0,0|4,0,0]=4 301 B11R0.40 CCC(=O)NCCNCCSC 34a_100132302217_100000212216 [0,0,0,0,0,0|4,0,0]=4 302 B11R0.40 CCC(=O)NCCOCCCF 34a_200000158885_100011934791 [0,0,0,0,0,0|4,0,0]=4 303 B11R0.40 CCC(=O)NCCOCCCF 7a_200000158885_100011934791 [0,0,0,0,0,0|4,0,0]=4 304 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [0,0,0,0,0,0|4,0,0]=4 305 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [0,0,0,0,0,0|4,0,0]=4 306 B11R0.40 CCC(=O)NCCOCCOC 11a_100000745349_100000210414 [0,0,0,0,0,0|4,0,0]=4 307 B11R0.40 CCC(=O)NCCOCCOC 1626a_100000745349_100000210414 [0,0,0,0,0,0|4,0,0]=4 308 B11R0.40 CCC(=O)NCCOCCOC 240690a_100000745349_100000210414 [0,0,0,0,0,0|4,0,0]=4 309 B11R0.40 CCC(=O)NCCOCCOC 34a_200000158885_100011201679 [0,0,0,0,0,0|4,0,0]=4 310 B11R0.40 CCC(=O)NCCOCCOC 527a_100000745349_100000210414 [0,0,0,0,0,0|4,0,0]=4 311 B11R0.40 CCC(=O)NCCOCCOC 7a_200000158885_100000233755 [0,0,0,0,0,0|4,0,0]=4 312 B11R0.40 CCC(=O)NCCOCCSC 34a_200000158885_100000212216 [0,0,0,0,0,0|4,0,0]=4 313 B11R0.40 CCC(=O)NCCOCCSC 7a_200000158885_100000212216 [0,0,0,0,0,0|4,0,0]=4 314 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [0,0,0,0,0,0|4,0,0]=4 315 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,0,0,0,0,0|4,0,0]=4 316 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [0,0,0,0,0,0|4,0,0]=4 317 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [0,0,0,0,0,0|4,0,0]=4 318 B11R0.40 CCC/C=C/COCC(=O)CC 7a_100016278788_100000747405 [0,0,0,0,0,0|2,0,2]=4 319 B11R0.40 CCC/C=C/COCC(=O)NC 34a_100016278788_100000183359 [0,0,0,0,0,0|2,0,2]=4 320 B11R0.40 CCC/C=C/COCC(=O)NC 7a_100016278788_100000183359 [0,0,0,0,0,0|2,0,2]=4 321 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [0,0,0,0,0,0|1,0,2]=3 322 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [0,0,0,0,0,0|1,0,2]=3 323 B11R0.40 CCCC#CCOCC(=O)CC 7a_100000034806_100000747405 [0,0,0,0,0,0|2,0,2]=4 324 B11R0.40 CCCC#CCOCC(=O)NC 34a_100000034806_100000183359 [0,0,0,0,0,0|2,0,2]=4 325 B11R0.40 CCCC#CCOCC(=O)NC 7a_100000034806_100000183359 [0,0,0,0,0,0|2,0,2]=4 326 B11R0.40 CCCC#CCOCC(=O)OC 34a_100000034806_100000747449 [0,0,0,0,0,0|1,0,2]=3 327 B11R0.40 CCCC#CCOCC(=O)OC 7a_100000034806_100000747449 [0,0,0,0,0,0|1,0,2]=3 328 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,0,0,0,0,0|1,0,2]=3 329 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,0,0,0,0,0|2,0,2]=4 330 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,0,0,0,0,0|1,0,2]=3 331 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,0,0,0,0,0|1,0,2]=3 332 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,0,0,0,0,0|1,0,2]=3 333 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,0,0,0,0,0|1,0,2]=3 334 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,0,0,0,0,0|2,0,2]=4 335 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [0,0,0,0,0,0|3,0,1]=4 336 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,0,0,0,0,0|1,0,2]=3 337 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,0,0,0,0,0|2,0,2]=4 338 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,0,0,0,0,0|1,0,2]=3 339 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,0,0,0,0,0|1,0,2]=3 340 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,0,0,0,0,0|1,0,2]=3 341 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,0,0,0,0,0|1,0,0]=1 342 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,0,0,0,0,0|1,0,0]=1 343 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,0,0,0,0,0|2,0,0]=2 344 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,0,0,0,0,0|2,0,0]=2 345 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,0,0,0,0,0|1,0,0]=1 346 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,0,0,0,0,0|1,0,0]=1 347 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,0,0,0,0,0|1,0,0]=1 348 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,0,0,0,0,0|1,0,0]=1 349 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,0,0,0,0,0|2,0,1]=3 350 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,0,0,0,0,0|1,0,1]=2 351 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,0,0,0,0,0|1,0,1]=2 352 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,0,0,0,0,0|1,0,1]=2 353 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,0,0,0,0,0|1,0,1]=2 354 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,0,0,0,0,0|3,0,0]=3 355 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,0,0,0,0,0|3,0,0]=3 356 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,0,0,0,0,0|3,0,0]=3 357 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,0,0,0,0,0|3,0,0]=3 358 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,0,0,0,0,0|4,0,0]=4 359 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,0,0,0,0,0|2,0,0]=2 360 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,0,0,0,0,0|2,0,0]=2 361 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,0,0,0,0,0|2,0,0]=2 362 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,0,0,0,0,0|2,0,0]=2 363 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,0,0,0,0,0|3,0,0]=3 364 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,0,0,0,0,0|3,0,0]=3 365 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,0,0,0,0,0|2,0,0]=2 366 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,0,0,0,0,0|2,0,0]=2 367 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,0,0,0,0,0|2,0,0]=2 368 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,0,0,0,0,0|2,0,0]=2 369 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,0,0,0,0,0|2,0,0]=2 370 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,0,0,0,0,0|2,0,0]=2 371 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,0,0,0,0,0|3,0,1]=4 372 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,0,0,0,0,0|3,0,1]=4 373 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,0,0,0,0,0|3,0,1]=4 374 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,0,0,0,0,0|3,0,1]=4 375 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,0,0,0,0,0|3,0,1]=4 376 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,0,0,0,0,0|3,0,1]=4 377 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,0,0,0,0,0|3,0,1]=4 378 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,0,0,0,0,0|2,0,1]=3 379 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,0,0,0,0,0|2,0,1]=3 380 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,0,0,0,0,0|2,0,0]=2 381 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,0,0,0,0,0|2,0,0]=2 382 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,0,0,0,0,0|1,0,0]=1 383 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,0,0,0,0,0|3,0,1]=4 384 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,0,0,0,0,0|3,0,1]=4 385 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,0,0,0,0,0|3,0,1]=4 386 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,0,0,0,0,0|2,0,2]=4 387 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,0,0,0,0,0|2,0,2]=4 388 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,0,0,0,0,0|3,0,1]=4 389 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,0,0,0,0,0|2,0,1]=3 390 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,0,0,0,0,0|2,0,0]=2 391 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,0,0,0,0,0|2,0,0]=2 392 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,0,0,0,0,0|2,0,0]=2 393 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,0,0,0,0,0|2,0,0]=2 394 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,0,0,0,0,0|2,0,0]=2 395 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,0,0,0,0,0|1,0,0]=1 396 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,0,0,0,0,0|1,0,0]=1 397 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,0,0,0,0,0|3,0,1]=4 398 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,0,0,0,0,0|3,0,1]=4 399 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,0,0,0,0,0|2,0,1]=3 400 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,0,0,0,0,0|2,0,2]=4 401 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,0,0,0,0,0|2,0,2]=4 402 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,0,0,0,0,0|3,0,1]=4 403 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,0,0,0,0,0|3,0,1]=4 404 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,0,0,0,0,0|3,0,1]=4 405 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,0,0,0,0,0|2,0,0]=2 406 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,0,0,0,0,0|2,0,0]=2 407 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,0,0,0,0,0|2,0,0]=2 408 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,0,0,0,0,0|2,0,0]=2 409 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,0,0,0,0,0|1,0,0]=1 410 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,0,0,0,0,0|1,0,0]=1 411 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,0,0,0,0,0|3,0,1]=4 412 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,0,0,0,0,0|3,0,1]=4 413 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,0,0,0,0,0|2,0,2]=4 414 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,0,0,0,0,0|2,0,2]=4 415 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,0,0,0,0,0|3,0,1]=4 416 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,0,0,0,0,0|3,0,1]=4 417 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,0,0,0,0,0|2,0,0]=2 418 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,0,0,0,0,0|2,0,0]=2 419 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,0,0,0,0,0|2,0,0]=2 420 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,0,0,0,0,0|1,0,0]=1 421 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,0,0,0,0,0|3,0,1]=4 422 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [0,0,0,0,0,0|2,0,1]=3 423 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [0,0,0,0,0,0|4,0,0]=4 424 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,0,0,0,0,0|2,0,0]=2 425 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,0,0,0,0,0|2,0,0]=2 426 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,0,0,0,0,0|2,0,0]=2 427 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,0,0,0,0,0|1,0,0]=1 428 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,0,0,0,0,0|1,0,0]=1 429 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,0,0,0,0,0|3,0,1]=4 430 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,0,0,0,0,0|2,0,1]=3 431 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,0,0,0,0,0|2,0,0]=2 432 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,0,0,0,0,0|2,0,0]=2 433 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,0,0,0,0,0|1,0,0]=1 434 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,0,0,0,0,0|1,0,0]=1 435 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,0,0,0,0,0|2,0,0]=2 436 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [0,0,0,0,0,0|1,0,2]=3 437 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [0,0,0,0,0,0|1,0,2]=3 438 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,0,0,0,0,0|2,0,0]=2 439 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,0,0,0,0,0|2,0,0]=2 440 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,0,0,0,0,0|2,0,0]=2 441 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,0,0,0,0,0|2,0,0]=2 442 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,0,0,0,0,0|1,0,0]=1 443 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,0,0,0,0,0|1,0,0]=1 444 B11R0.40 CCCCNCCCN(C)CC 2230a_100000102301_100015186262 [0,0,0,0,0,0|4,0,0]=4 445 B11R0.40 CCCCNCCCN(C)CC 7a_106832991798_100015186262 [0,0,0,0,0,0|4,0,0]=4 446 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,0,0,0,0,0|3,0,0]=3 447 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,0,0,0,0,0|3,0,0]=3 448 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,0,0,0,0,0|3,0,0]=3 449 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [0,0,0,0,0,0|2,0,1]=3 450 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [0,0,0,0,0,0|1,0,2]=3 451 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [0,0,0,0,0,0|1,0,2]=3 452 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,0,0,0,0,0|2,0,0]=2 453 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,0,0,0,0,0|2,0,0]=2 454 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [0,0,0,0,0,0|3,0,0]=3 455 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,0,0,0,0,0|1,0,0]=1 456 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,0,0,0,0,0|1,0,0]=1 457 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,0,0,0,0,0|3,0,1]=4 458 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [0,0,0,0,0,0|4,0,0]=4 459 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,0,0,0,0,0|3,0,0]=3 460 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,0,0,0,0,0|3,0,0]=3 461 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,0,0,0,0,0|2,0,0]=2 462 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,0,0,0,0,0|3,0,0]=3 463 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,0,0,0,0,0|3,0,0]=3 464 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,0,0,0,0,0|3,0,0]=3 465 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,0,0,0,0,0|2,0,0]=2 466 B11R0.40 CCCCOCCSC(C)OC 62a_100000743108_100009879195 [0,0,0,0,0,0|3,0,1]=4 467 B11R0.40 CCCCOCCSC(C)OC 62a_100009879195_100000743108 [0,0,0,0,0,0|3,0,1]=4 468 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,0,0,0,0,0|3,0,0]=3 469 B11R0.40 CCCCOCNC[C@@H](C)OC 2230a_100020591295_100011995733 [0,0,0,0,0,0|3,0,1]=4 470 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,0,0,0,0,0|3,0,0]=3 471 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,0,0,0,0,0|3,0,0]=3 472 B11R0.40 CCCCOCOCC(C)OC 34a_100000690652_100011995733 [0,0,0,0,0,0|3,0,1]=4 473 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,0,0,0,0,0|3,0,0]=3 474 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,0,0,0,0,0|3,0,0]=3 475 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,0,0,0,0,0|3,0,0]=3 476 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,0,0,0,0,0|3,0,0]=3 477 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,0,0,0,0,0|2,0,0]=2 478 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,0,0,0,0,0|2,0,0]=2 479 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [0,0,0,0,0,0|1,0,2]=3 480 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [0,0,0,0,0,0|1,0,2]=3 481 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,0,0,0,0,0|2,0,0]=2 482 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,0,0,0,0,0|2,0,0]=2 483 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,0,0,0,0,0|1,0,0]=1 484 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,0,0,0,0,0|1,0,0]=1 485 B11R0.40 CCCCSCCCN(C)CC 62a_100000210211_100015186262 [0,0,0,0,0,0|4,0,0]=4 486 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,0,0,0,0,0|3,0,0]=3 487 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,0,0,0,0,0|3,0,0]=3 488 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,0,0,0,0,0|3,0,0]=3 489 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,0,0,0,0,0|3,0,0]=3 490 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,0,0,0,0,0|4,0,0]=4 491 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,0,0,0,0,0|4,0,0]=4 492 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,0,0,0,0,0|3,0,0]=3 493 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,0,0,0,0,0|3,0,0]=3 494 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,0,0,0,0,0|3,0,0]=3 495 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,0,0,0,0,0|3,0,0]=3 496 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,0,0,0,0,0|3,0,0]=3 497 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,0,0,0,0,0|3,0,0]=3 498 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,0,0,0,0,0|3,0,0]=3 499 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,0,0,0,0,0|3,0,0]=3 500 B11R0.40 CCCNN=CCCC(=O)OC 4a_100000740057_100012047195 [0,0,0,0,0,0|2,0,1]=3 501 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,0,0,0,0,0|1,0,0]=1 502 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,0,0,0,0,0|1,0,0]=1 503 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,0,0,0,0,0|1,0,0]=1 504 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,0,0,0,0,0|3,0,0]=3 505 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,0,0,0,0,0|3,0,0]=3 506 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,0,0,0,0,0|3,0,0]=3 507 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,0,0,0,0,0|4,0,0]=4 508 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,0,0,0,0,0|4,0,0]=4 509 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,0,0,0,0,0|3,0,0]=3 510 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,0,0,0,0,0|3,0,0]=3 511 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,0,0,0,0,0|3,0,0]=3 512 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,0,0,0,0,0|3,0,0]=3 513 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,0,0,0,0,0|3,0,0]=3 514 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,0,0,0,0,0|3,0,0]=3 515 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,0,0,0,0,0|3,0,0]=3 516 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,0,0,0,0,0|3,0,0]=3 517 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,0,0,0,0,0|3,0,0]=3 518 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,0,0,0,0,0|2,0,0]=2 519 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,0,0,0,0,0|2,0,0]=2 520 B11R0.40 CCCOCCNC[C@@H](C)OC 2230a_100020591295_100011215938 [0,0,0,0,0,0|3,0,1]=4 521 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,0,0,0,0,0|3,0,0]=3 522 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,0,0,0,0,0|3,0,0]=3 523 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,0,0,0,0,0|3,0,0]=3 524 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,0,0,0,0,0|3,0,0]=3 525 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,0,0,0,0,0|3,0,0]=3 526 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,0,0,0,0,0|2,0,0]=2 527 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,0,0,0,0,0|2,0,0]=2 528 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,0,0,0,0,0|2,0,0]=2 529 B11R0.40 CCCOCCOCC(C)OC 34a_100000690652_100011215938 [0,0,0,0,0,0|3,0,1]=4 530 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,0,0,0,0,0|3,0,0]=3 531 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,0,0,0,0,0|3,0,0]=3 532 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,0,0,0,0,0|3,0,0]=3 533 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,0,0,0,0,0|3,0,0]=3 534 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,0,0,0,0,0|2,0,0]=2 535 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,0,0,0,0,0|2,0,0]=2 536 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,0,0,0,0,0|1,0,0]=1 537 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,0,0,0,0,0|1,0,0]=1 538 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [0,0,0,0,0,0|3,0,0]=3 539 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,0,0,0,0,0|2,0,0]=2 540 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,0,0,0,0,0|3,0,0]=3 541 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,0,0,0,0,0|3,0,0]=3 542 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,0,0,0,0,0|3,0,0]=3 543 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,0,0,0,0,0|2,0,0]=2 544 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,0,0,0,0,0|2,0,0]=2 545 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,0,0,0,0,0|2,0,0]=2 546 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,0,0,0,0,0|2,0,0]=2 547 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,0,0,0,0,0|4,0,0]=4 548 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,0,0,0,0,0|4,0,0]=4 549 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,0,0,0,0,0|4,0,0]=4 550 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,0,0,0,0,0|4,0,0]=4 551 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,0,0,0,0,0|1,0,0]=1 552 B11R0.40 CCNN=CCCCC(=O)OC 4a_100000756455_100000094087 [0,0,0,0,0,0|2,0,1]=3 553 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,0,0,0,0,0|1,0,0]=1 554 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,0,0,0,0,0|1,0,0]=1 555 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,0,0,0,0,0|1,0,0]=1 556 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,0,0,0,0,0|3,0,1]=4 557 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [0,0,0,0,0,0|3,0,0]=3 558 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [0,0,0,0,0,0|3,0,0]=3 559 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [0,0,0,0,0,0|3,0,0]=3 560 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,0,0,0,0,0|2,0,0]=2 561 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,0,0,0,0,0|2,0,0]=2 562 B11R0.40 CCOCCCNC[C@@H](C)OC 2230a_100020591295_100012232248 [0,0,0,0,0,0|3,0,1]=4 563 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,0,0,0,0,0|3,0,0]=3 564 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,0,0,0,0,0|3,0,0]=3 565 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,0,0,0,0,0|3,0,0]=3 566 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,0,0,0,0,0|3,0,0]=3 567 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,0,0,0,0,0|3,0,0]=3 568 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,0,0,0,0,0|2,0,0]=2 569 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,0,0,0,0,0|2,0,0]=2 570 B11R0.40 CCOCCCOCC(C)OC 34a_100000690652_100012232248 [0,0,0,0,0,0|3,0,1]=4 571 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,0,0,0,0,0|3,0,0]=3 572 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,0,0,0,0,0|3,0,0]=3 573 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [0,0,0,0,0,0|3,0,0]=3 574 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [0,0,0,0,0,0|3,0,0]=3 575 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,0,0,0,0,0|2,0,0]=2 576 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,0,0,0,0,0|2,0,0]=2 577 B11R0.40 CCOCCNCCC(=O)NC 2230a_100000738227_100011215890 [0,0,0,0,0,0|3,0,0]=3 578 B11R0.40 CCOCCNCCC(=O)NC 2230a_102516460346_100000737683 [0,0,0,0,0,0|3,0,0]=3 579 B11R0.40 CCOCCNCCC(=O)NC 34a_100000738227_100000210147 [0,0,0,0,0,0|3,0,0]=3 580 B11R0.40 CCOCCNCCC(=O)NC 34a_102516460346_100012179268 [0,0,0,0,0,0|3,0,0]=3 581 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [0,0,0,0,0,0|2,0,0]=2 582 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [0,0,0,0,0,0|2,0,0]=2 583 B11R0.40 CCOCCNN=CC(=O)OC 4a_100000732670_200011823558 [0,0,0,0,0,0|3,0,1]=4 584 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [0,0,0,0,0,0|3,0,0]=3 585 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,0,0,0,0,0|4,0,0]=4 586 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [0,0,0,0,0,0|3,0,0]=3 587 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [0,0,0,0,0,0|3,0,0]=3 588 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [0,0,0,0,0,0|3,0,0]=3 589 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,0,0,0,0,0|2,0,0]=2 590 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,0,0,0,0,0|2,0,0]=2 591 B11R0.40 CCOCCOCCC(C)OC 7a_100000764861_100011215890 [0,0,0,0,0,0|3,0,1]=4 592 B11R0.40 CCOCCSCCC(=O)NC 62a_100000210147_100000737683 [0,0,0,0,0,0|3,0,0]=3 593 B11R0.40 CCOCCSCCC(=O)NC 62a_100000737683_100011215890 [0,0,0,0,0,0|3,0,0]=3 594 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [0,0,0,0,0,0|2,0,0]=2 595 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [0,0,0,0,0,0|2,0,0]=2 596 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [0,0,0,0,0,0|3,0,0]=3 597 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000739092_100000742655 [0,0,0,0,0,0|2,0,2]=4 598 B11R0.40 CCOCSC/C=C/C(=O)OC 62a_100000742655_100000739092 [0,0,0,0,0,0|2,0,2]=4 599 B11R0.40 CCOCSCCCC(=O)NC 62a_100000739092_100000741757 [0,0,0,0,0,0|3,0,0]=3 600 B11R0.40 CCOCSCCCC(=O)NC 62a_100000741757_100000739092 [0,0,0,0,0,0|3,0,0]=3 601 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [0,0,0,0,0,0|2,0,0]=2 602 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [0,0,0,0,0,0|2,0,0]=2 603 B11R0.40 CCOCSCCOC(=O)NC 62a_100000739092_200011997002 [0,0,0,0,0,0|4,0,0]=4 604 B11R0.40 CCOCSCCOC(=O)NC 62a_200011997002_100000739092 [0,0,0,0,0,0|4,0,0]=4 605 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,0,0,0,0,0|1,0,0]=1 606 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,0,0,0,0,0|1,0,0]=1 607 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,0,0,0,0,0|3,0,0]=3 608 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,0,0,0,0,0|3,0,0]=3 609 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,0,0,0,0,0|3,0,0]=3 610 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,0,0,0,0,0|2,0,0]=2 611 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,0,0,0,0,0|2,0,0]=2 612 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000106463_100000737683 [0,0,0,0,0,0|3,0,0]=3 613 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000738227_100000757381 [0,0,0,0,0,0|3,0,0]=3 614 B11R0.40 CCSCCNCCC(=O)NC 34a_100000738227_100000757381 [0,0,0,0,0,0|3,0,0]=3 615 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [0,0,0,0,0,0|2,0,0]=2 616 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [0,0,0,0,0,0|3,0,0]=3 617 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [0,0,0,0,0,0|3,0,0]=3 618 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [0,0,0,0,0,0|3,0,0]=3 619 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,0,0,0,0,0|2,0,0]=2 620 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,0,0,0,0,0|2,0,0]=2 621 B11R0.40 CCSCCOCCC(C)OC 7a_100000764861_100000757381 [0,0,0,0,0,0|3,0,1]=4 622 B11R0.40 CCSCCSCCC(=O)NC 62a_100000737683_100000757381 [0,0,0,0,0,0|3,0,0]=3 623 B11R0.40 CCSCCSCCC(=O)NC 62a_100000757381_100000737683 [0,0,0,0,0,0|3,0,0]=3 624 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [0,0,0,0,0,0|2,0,0]=2 625 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [0,0,0,0,0,0|2,0,0]=2 626 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [0,0,0,0,0,0|3,0,0]=3 627 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,0,0,0,0,0|2,0,0]=2 628 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 11a_106832991635_100009870042 [0,0,0,0,0,0|4,0,0]=4 629 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 240690a_100102657272_100009870042 [0,0,0,0,0,0|4,0,0]=4 630 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 527a_100102657272_100009870042 [0,0,0,0,0,0|4,0,0]=4 631 B11R0.40 CNC(=O)CCCNCCC#N 2230a_100000740002_100011215226 [0,0,0,0,0,0|3,0,1]=4 632 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [0,0,0,0,0,0|3,0,0]=3 633 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [0,0,0,0,0,0|3,0,0]=3 634 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [0,0,0,0,0,0|3,0,0]=3 635 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [0,0,0,0,0,0|3,0,0]=3 636 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,0,0,0,0,0|3,0,0]=3 637 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,0,0,0,0,0|3,0,0]=3 638 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [0,0,0,0,0,0|3,0,0]=3 639 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [0,0,0,0,0,0|3,0,0]=3 640 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [0,0,0,0,0,0|3,0,0]=3 641 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [0,0,0,0,0,0|3,0,0]=3 642 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [0,0,0,0,0,0|3,0,0]=3 643 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [0,0,0,0,0,0|3,0,0]=3 644 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [0,0,0,0,0,0|3,0,0]=3 645 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [0,0,0,0,0,0|3,0,0]=3 646 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [0,0,0,0,0,0|3,0,0]=3 647 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,0,0,0,0,0|3,0,0]=3 648 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [0,0,0,0,0,0|3,0,0]=3 649 B11R0.40 CNC(=O)CCCOCCON 34a_100000700252_100000741757 [0,0,0,0,0,0|4,0,0]=4 650 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [0,0,0,0,0,0|3,0,0]=3 651 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [0,0,0,0,0,0|3,0,0]=3 652 B11R0.40 CNC(=O)CCCSCCC#N 62a_100000741757_100011215226 [0,0,0,0,0,0|3,0,1]=4 653 B11R0.40 CNC(=O)CCCSCCC#N 62a_100011215226_100000741757 [0,0,0,0,0,0|3,0,1]=4 654 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [0,0,0,0,0,0|3,0,0]=3 655 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [0,0,0,0,0,0|3,0,0]=3 656 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,0,0,0,0,0|3,0,0]=3 657 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,0,0,0,0,0|3,0,0]=3 658 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [0,0,0,0,0,0|3,0,0]=3 659 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [0,0,0,0,0,0|3,0,0]=3 660 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [0,0,0,0,0,0|3,0,0]=3 661 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [0,0,0,0,0,0|3,0,0]=3 662 B11R0.40 CNC(=O)CCNCCCC#N 2230a_100000738227_100000687738 [0,0,0,0,0,0|3,0,1]=4 663 B11R0.40 CNC(=O)CCNCCCC=O 2230a_100000738227_200011292268 [0,0,0,0,0,0|3,0,1]=4 664 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [0,0,0,0,0,0|3,0,0]=3 665 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [0,0,0,0,0,0|3,0,0]=3 666 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,0,0,0,0,0|3,0,0]=3 667 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,0,0,0,0,0|3,0,0]=3 668 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,0,0,0,0,0|3,0,0]=3 669 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,0,0,0,0,0|3,0,0]=3 670 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [0,0,0,0,0,0|3,0,0]=3 671 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [0,0,0,0,0,0|3,0,0]=3 672 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [0,0,0,0,0,0|3,0,0]=3 673 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [0,0,0,0,0,0|3,0,0]=3 674 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [0,0,0,0,0,0|3,0,0]=3 675 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [0,0,0,0,0,0|3,0,0]=3 676 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [0,0,0,0,0,0|3,0,0]=3 677 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [0,0,0,0,0,0|3,0,0]=3 678 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [0,0,0,0,0,0|3,0,0]=3 679 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [0,0,0,0,0,0|3,0,0]=3 680 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [0,0,0,0,0,0|3,0,0]=3 681 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [0,0,0,0,0,0|3,0,0]=3 682 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,0,0,0,0,0|3,0,0]=3 683 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [0,0,0,0,0,0|3,0,0]=3 684 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [0,0,0,0,0,0|3,0,0]=3 685 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [0,0,0,0,0,0|3,0,0]=3 686 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [0,0,0,0,0,0|3,0,0]=3 687 B11R0.40 CNC(=O)CCSCCCC#N 62a_100000687738_100000737683 [0,0,0,0,0,0|3,0,1]=4 688 B11R0.40 CNC(=O)CCSCCCC#N 62a_100000737683_100000687738 [0,0,0,0,0,0|3,0,1]=4 689 B11R0.40 CNC(=O)CCSCCCC=O 62a_100000737683_200011292268 [0,0,0,0,0,0|3,0,1]=4 690 B11R0.40 CNC(=O)CCSCCCC=O 62a_200011292268_100000737683 [0,0,0,0,0,0|3,0,1]=4 691 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [0,0,0,0,0,0|3,0,0]=3 692 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [0,0,0,0,0,0|3,0,0]=3 693 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,0,0,0,0,0|3,0,0]=3 694 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,0,0,0,0,0|3,0,0]=3 695 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [0,0,0,0,0,0|3,0,0]=3 696 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [0,0,0,0,0,0|3,0,0]=3 697 B11R0.40 CNC(=O)CNCCCCC#N 2230a_100000693194_100000211819 [0,0,0,0,0,0|3,0,1]=4 698 B11R0.40 CNC(=O)CNCCCCC=O 2230a_100000693194_100000139335 [0,0,0,0,0,0|3,0,1]=4 699 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,0,0,0,0,0|3,0,0]=3 700 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,0,0,0,0,0|3,0,0]=3 701 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,0,0,0,0,0|3,0,0]=3 702 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,0,0,0,0,0|3,0,0]=3 703 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,0,0,0,0,0|3,0,0]=3 704 B11R0.40 CNC(=O)CNCCOCCO 2230a_100000211614_100000183359 [0,0,0,0,0,0|4,0,0]=4 705 B11R0.40 CNC(=O)CNCCOCCO 2230a_100000693194_100011215305 [0,0,0,0,0,0|4,0,0]=4 706 B11R0.40 CNC(=O)CNCCOCCO 34a_100000211614_100000183359 [0,0,0,0,0,0|4,0,0]=4 707 B11R0.40 CNC(=O)CNCCSCCO 2230a_100011219999_100000183359 [0,0,0,0,0,0|4,0,0]=4 708 B11R0.40 CNC(=O)CNCOCCOC 2230a_100000693194_100000231047 [0,0,0,0,0,0|4,0,0]=4 709 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,0,0,0,0,0|3,0,0]=3 710 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,0,0,0,0,0|3,0,0]=3 711 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,0,0,0,0,0|3,0,0]=3 712 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,0,0,0,0,0|3,0,0]=3 713 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,0,0,0,0,0|3,0,0]=3 714 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,0,0,0,0,0|3,0,0]=3 715 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,0,0,0,0,0|3,0,0]=3 716 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,0,0,0,0,0|3,0,0]=3 717 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,0,0,0,0,0|3,0,0]=3 718 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,0,0,0,0,0|3,0,0]=3 719 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,0,0,0,0,0|3,0,0]=3 720 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,0,0,0,0,0|3,0,0]=3 721 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,0,0,0,0,0|3,0,0]=3 722 B11R0.40 CNC(=O)COCCOCCBr 34a_100000692535_100000183359 [0,0,0,0,0,0|4,0,0]=4 723 B11R0.40 CNC(=O)COCCOCCBr 7a_100000692535_100000183359 [0,0,0,0,0,0|4,0,0]=4 724 B11R0.40 CNC(=O)COCCOCCCl 34a_100011215305_100000183359 [0,0,0,0,0,0|4,0,0]=4 725 B11R0.40 CNC(=O)COCCOCCCl 7a_100011215305_100000183359 [0,0,0,0,0,0|4,0,0]=4 726 B11R0.40 CNC(=O)COCCOCCF 34a_200015357709_100000183359 [0,0,0,0,0,0|4,0,0]=4 727 B11R0.40 CNC(=O)COCCOCCF 7a_200015357709_100000183359 [0,0,0,0,0,0|4,0,0]=4 728 B11R0.40 CNC(=O)COCCOCCI 34a_100012149058_100000183359 [0,0,0,0,0,0|4,0,0]=4 729 B11R0.40 CNC(=O)COCCOCCI 7a_100012149058_100000183359 [0,0,0,0,0,0|4,0,0]=4 730 B11R0.40 CNC(=O)COCCOCCN 34a_100000211614_100000183359 [0,0,0,0,0,0|4,0,0]=4 731 B11R0.40 CNC(=O)COCCOCCO 1626a_100102657272_106645077154 [0,0,0,0,0,0|4,0,0]=4 732 B11R0.40 CNC(=O)COCCOCCO 240690a_100102657272_106645077154 [0,0,0,0,0,0|4,0,0]=4 733 B11R0.40 CNC(=O)COCCOCCO 34a_100000750040_100000692535 [0,0,0,0,0,0|4,0,0]=4 734 B11R0.40 CNC(=O)CSCCCCC#N 62a_100000183359_100000211819 [0,0,0,0,0,0|3,0,1]=4 735 B11R0.40 CNC(=O)CSCCCCC#N 62a_100011219923_100000183359 [0,0,0,0,0,0|3,0,1]=4 736 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000139335_100000183359 [0,0,0,0,0,0|3,0,1]=4 737 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000183359_100000139335 [0,0,0,0,0,0|3,0,1]=4 738 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,0,0,0,0,0|3,0,0]=3 739 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,0,0,0,0,0|3,0,0]=3 740 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,0,0,0,0,0|3,0,0]=3 741 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,0,0,0,0,0|3,0,0]=3 742 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,0,0,0,0,0|3,0,0]=3 743 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,0,0,0,0,0|3,0,0]=3 744 B11R0.40 CNC(=O)CSCCOCCO 62a_100000183359_100011215305 [0,0,0,0,0,0|4,0,0]=4 745 B11R0.40 CNC(=O)CSCCOCCO 62a_100011215305_100000183359 [0,0,0,0,0,0|4,0,0]=4 746 B11R0.40 CNC(=O)CSCOCCOC 62a_100000183359_100000231047 [0,0,0,0,0,0|4,0,0]=4 747 B11R0.40 CNC(=O)CSCOCCOC 62a_100000231047_100000183359 [0,0,0,0,0,0|4,0,0]=4 748 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100000061152_106832991635 [0,0,0,0,0,0|3,0,1]=4 749 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100102657272_100000061152 [0,0,0,0,0,0|3,0,1]=4 750 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100000061152_100102657272 [0,0,0,0,0,0|3,0,1]=4 751 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100102657272_100000061152 [0,0,0,0,0,0|3,0,1]=4 752 B11R0.40 CNC(=O)NCCCCCC#N 512a_100000061152_100102657272 [0,0,0,0,0,0|3,0,1]=4 753 B11R0.40 CNC(=O)NCCCCCC#N 512a_106832991638_100000061152 [0,0,0,0,0,0|3,0,1]=4 754 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,0,0,0,0,0|3,0,0]=3 755 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,0,0,0,0,0|3,0,0]=3 756 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,0,0,0,0,0|3,0,0]=3 757 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,0,0,0,0,0|3,0,0]=3 758 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,0,0,0,0,0|3,0,0]=3 759 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,0,0,0,0,0|3,0,0]=3 760 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,0,0,0,0,0|3,0,0]=3 761 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,0,0,0,0,0|3,0,0]=3 762 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,0,0,0,0,0|3,0,0]=3 763 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,0,0,0,0,0|3,0,0]=3 764 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,0,0,0,0,0|3,0,0]=3 765 B11R0.40 CNC(=O)NCCNCCCF 34a_100015205895_100011934791 [0,0,0,0,0,0|4,0,0]=4 766 B11R0.40 CNC(=O)NCCNCCCO 34a_100015205895_100000230001 [0,0,0,0,0,0|4,0,0]=4 767 B11R0.40 CNC(=O)NCCNCCOC 34a_100015205895_100011201679 [0,0,0,0,0,0|4,0,0]=4 768 B11R0.40 CNC(=O)NCCNCCSC 34a_100015205895_100000212216 [0,0,0,0,0,0|4,0,0]=4 769 B11R0.40 CNC(=O)NCCOCCOC 2708a_100000745349_106832991635 [0,0,0,0,0,0|4,0,0]=4 770 B11R0.40 CNC(=O)NCCOCCOC 2708a_100102657272_100000745349 [0,0,0,0,0,0|4,0,0]=4 771 B11R0.40 CNC(=O)NCCOCCOC 273464a_100000745349_100102657272 [0,0,0,0,0,0|4,0,0]=4 772 B11R0.40 CNC(=O)NCCOCCOC 273464a_100102657272_100000745349 [0,0,0,0,0,0|4,0,0]=4 773 B11R0.40 CNC(=O)NCCOCCOC 512a_100000745349_100102657272 [0,0,0,0,0,0|4,0,0]=4 774 B11R0.40 CNC(=O)OCCNCCCF 34a_100015189416_200011997002 [0,0,0,0,0,0|4,0,0]=4 775 B11R0.40 CNC(=O)OCCOCCCBr 34a_100011217188_200011997002 [0,0,0,0,0,0|4,0,0]=4 776 B11R0.40 CNC(=O)OCCOCCCCl 34a_100000230001_200011997002 [0,0,0,0,0,0|4,0,0]=4 777 B11R0.40 CNC(=O)OCCOCCCF 34a_100000759539_200011997002 [0,0,0,0,0,0|4,0,0]=4 778 B11R0.40 CNC(=O)OCCOCCCN 34a_100000182051_200011997002 [0,0,0,0,0,0|4,0,0]=4 779 B11R0.40 CNC(=O)OCCOCCOC 34a_100000210237_200011997002 [0,0,0,0,0,0|4,0,0]=4 780 B11R0.40 CNC(=O)OCCOCCSC 34a_100000230434_200011997002 [0,0,0,0,0,0|4,0,0]=4 781 B11R0.40 CNC(=O)OCCOCCSC 7a_100000230434_200011997002 [0,0,0,0,0,0|4,0,0]=4 782 B11R0.40 CNC(=O)OCCSCCCF 62a_100011934791_200011997002 [0,0,0,0,0,0|4,0,0]=4 783 B11R0.40 CNC(=O)OCCSCCCF 62a_200011997002_100011934791 [0,0,0,0,0,0|4,0,0]=4 784 B11R0.40 CNC(=O)OCCSCCCO 62a_100011215043_200011997002 [0,0,0,0,0,0|4,0,0]=4 785 B11R0.40 CNC(=O)OCCSCCCO 62a_200011997002_100011215043 [0,0,0,0,0,0|4,0,0]=4 786 B11R0.40 CNC(=O)OCCSCCOC 62a_100000233755_200011997002 [0,0,0,0,0,0|4,0,0]=4 787 B11R0.40 CNC(=O)OCCSCCOC 62a_200011997002_100000233755 [0,0,0,0,0,0|4,0,0]=4 788 B11R0.40 CNC(=O)OCCSCCSC 62a_100000212216_200011997002 [0,0,0,0,0,0|4,0,0]=4 789 B11R0.40 CNC(=O)OCCSCCSC 62a_200011997002_100000751147 [0,0,0,0,0,0|4,0,0]=4 790 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,0,0,0,0,0|1,0,0]=1 791 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,0,0,0,0,0|1,0,0]=1 792 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,0,0,0,0,0|1,0,0]=1 793 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [0,0,0,0,0,0|3,0,0]=3 794 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,0,0,0,0,0|2,0,0]=2 795 B11R0.40 COC(=O)/C=C/CNCCCF 2230a_100015189416_100000742655 [0,0,0,0,0,0|2,0,2]=4 796 B11R0.40 COC(=O)/C=C/CNCCCF 34a_100015189416_100000742655 [0,0,0,0,0,0|2,0,2]=4 797 B11R0.40 COC(=O)/C=C/CNCCSC 2230a_100020590264_100000742655 [0,0,0,0,0,0|2,0,2]=4 798 B11R0.40 COC(=O)/C=C/COCCCBr 34a_100011217188_100000742655 [0,0,0,0,0,0|2,0,2]=4 799 B11R0.40 COC(=O)/C=C/COCCCCl 34a_100000230001_100000742655 [0,0,0,0,0,0|2,0,2]=4 800 B11R0.40 COC(=O)/C=C/COCCCF 34a_100000759539_100000742655 [0,0,0,0,0,0|2,0,2]=4 801 B11R0.40 COC(=O)/C=C/COCCCN 34a_100000182051_100000742655 [0,0,0,0,0,0|2,0,2]=4 802 B11R0.40 COC(=O)/C=C/COCCSC 34a_100000230434_100000742655 [0,0,0,0,0,0|2,0,2]=4 803 B11R0.40 COC(=O)/C=C/COCCSC 7a_100000230434_100000742655 [0,0,0,0,0,0|2,0,2]=4 804 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100000742655_100011934791 [0,0,0,0,0,0|2,0,2]=4 805 B11R0.40 COC(=O)/C=C/CSCCCF 62a_100011934791_100000742655 [0,0,0,0,0,0|2,0,2]=4 806 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100000742655_100011215043 [0,0,0,0,0,0|2,0,2]=4 807 B11R0.40 COC(=O)/C=C/CSCCCO 62a_100011215043_100000742655 [0,0,0,0,0,0|2,0,2]=4 808 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000212216_100000742655 [0,0,0,0,0,0|2,0,2]=4 809 B11R0.40 COC(=O)/C=C/CSCCSC 62a_100000742655_100000751147 [0,0,0,0,0,0|2,0,2]=4 810 B11R0.40 COC(=O)CCC=NNCCO 4a_100000210001_100012047195 [0,0,0,0,0,0|3,0,1]=4 811 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,0,0,0,0,0|1,0,0]=1 812 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,0,0,0,0,0|1,0,0]=1 813 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,0,0,0,0,0|1,0,0]=1 814 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,0,0,0,0,0|1,0,0]=1 815 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,0,0,0,0,0|1,0,0]=1 816 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,0,0,0,0,0|1,0,0]=1 817 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,0,0,0,0,0|2,0,0]=2 818 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,0,0,0,0,0|2,0,0]=2 819 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,0,0,0,0,0|2,0,0]=2 820 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,0,0,0,0,0|2,0,0]=2 821 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,0,0,0,0,0|2,0,0]=2 822 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,0,0,0,0,0|2,0,0]=2 823 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,0,0,0,0,0|2,0,0]=2 824 B11R0.40 COC(=O)CCCCOCC#N 7a_100000059025_100011215382 [0,0,0,0,0,0|2,0,1]=3 825 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [0,0,0,0,0,0|2,0,1]=3 826 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [0,0,0,0,0,0|2,0,1]=3 827 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,0,0,0,0,0|2,0,0]=2 828 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,0,0,0,0,0|2,0,0]=2 829 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,0,0,0,0,0|2,0,0]=2 830 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,0,0,0,0,0|2,0,0]=2 831 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,0,0,0,0,0|2,0,0]=2 832 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,0,0,0,0,0|2,0,0]=2 833 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,0,0,0,0,0|2,0,0]=2 834 B11R0.40 COC(=O)CCCCSCC#N 62a_100000204269_100011215382 [0,0,0,0,0,0|2,0,1]=3 835 B11R0.40 COC(=O)CCCCSCC#N 62a_100011215382_100000204269 [0,0,0,0,0,0|2,0,1]=3 836 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [0,0,0,0,0,0|2,0,1]=3 837 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [0,0,0,0,0,0|2,0,1]=3 838 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,0,0,0,0,0|2,0,0]=2 839 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,0,0,0,0,0|2,0,0]=2 840 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,0,0,0,0,0|2,0,0]=2 841 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,0,0,0,0,0|2,0,0]=2 842 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,0,0,0,0,0|2,0,0]=2 843 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,0,0,0,0,0|2,0,0]=2 844 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,0,0,0,0,0|2,0,0]=2 845 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,0,0,0,0,0|2,0,0]=2 846 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,0,0,0,0,0|2,0,0]=2 847 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,0,0,0,0,0|2,0,0]=2 848 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,0,0,0,0,0|2,0,0]=2 849 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,0,0,0,0,0|2,0,0]=2 850 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,0,0,0,0,0|2,0,0]=2 851 B11R0.40 COC(=O)CCCOCCON 34a_100000700252_100000742333 [0,0,0,0,0,0|3,0,0]=3 852 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,0,0,0,0,0|2,0,0]=2 853 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,0,0,0,0,0|2,0,0]=2 854 B11R0.40 COC(=O)CCCSCCC#N 62a_100011215226_100011218270 [0,0,0,0,0,0|2,0,1]=3 855 B11R0.40 COC(=O)CCCSCCC#N 62a_100011218270_100011215226 [0,0,0,0,0,0|2,0,1]=3 856 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,0,0,0,0,0|2,0,0]=2 857 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,0,0,0,0,0|2,0,0]=2 858 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,0,0,0,0,0|2,0,0]=2 859 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,0,0,0,0,0|2,0,0]=2 860 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,0,0,0,0,0|2,0,0]=2 861 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,0,0,0,0,0|2,0,0]=2 862 B11R0.40 COC(=O)CCCSCSC#N 62a_100000211825_100011218270 [0,0,0,0,0,0|3,0,1]=4 863 B11R0.40 COC(=O)CCCSCSC#N 62a_100011218270_100000211825 [0,0,0,0,0,0|3,0,1]=4 864 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,0,0,0,0,0|2,0,0]=2 865 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,0,0,0,0,0|2,0,0]=2 866 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,0,0,0,0,0|2,0,0]=2 867 B11R0.40 COC(=O)CCOCC#CCCl 34a_200000047223_100000742370 [0,0,0,0,0,0|2,0,2]=4 868 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,0,0,0,0,0|2,0,0]=2 869 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,0,0,0,0,0|2,0,0]=2 870 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,0,0,0,0,0|2,0,0]=2 871 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,0,0,0,0,0|2,0,0]=2 872 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,0,0,0,0,0|2,0,0]=2 873 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,0,0,0,0,0|2,0,0]=2 874 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,0,0,0,0,0|2,0,0]=2 875 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,0,0,0,0,0|2,0,0]=2 876 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,0,0,0,0,0|2,0,0]=2 877 B11R0.40 COC(=O)CCSCC#CCO 62a_100000204255_200000047223 [0,0,0,0,0,0|2,0,2]=4 878 B11R0.40 COC(=O)CCSCC#CCO 62a_200000047223_100000204255 [0,0,0,0,0,0|2,0,2]=4 879 B11R0.40 COC(=O)CCSCCCC#N 62a_100000204255_100000687738 [0,0,0,0,0,0|2,0,1]=3 880 B11R0.40 COC(=O)CCSCCCC#N 62a_100000687738_100000204255 [0,0,0,0,0,0|2,0,1]=3 881 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [0,0,0,0,0,0|2,0,1]=3 882 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [0,0,0,0,0,0|2,0,1]=3 883 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,0,0,0,0,0|2,0,0]=2 884 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,0,0,0,0,0|2,0,0]=2 885 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,0,0,0,0,0|2,0,0]=2 886 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,0,0,0,0,0|2,0,0]=2 887 B11R0.40 COC(=O)CCSCCSC#N 62a_100000034367_100000204255 [0,0,0,0,0,0|3,0,1]=4 888 B11R0.40 COC(=O)CCSCCSC#N 62a_100000204255_100000034367 [0,0,0,0,0,0|3,0,1]=4 889 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,0,0,0,0,0|2,0,0]=2 890 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,0,0,0,0,0|2,0,0]=2 891 B11R0.40 COC(=O)CNCCCN=[N+]=[N-] 2230a_100000744732_100000747449 [0,0,0,0,0,0|4,0,0]=4 892 B11R0.40 COC(=O)CNCCOCCO 2230a_100000211614_100000747449 [0,0,0,0,0,0|3,0,0]=3 893 B11R0.40 COC(=O)CNCCOCCO 34a_100000211614_100000747449 [0,0,0,0,0,0|3,0,0]=3 894 B11R0.40 COC(=O)CNCCSCCO 2230a_100011219999_100000747449 [0,0,0,0,0,0|3,0,0]=3 895 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,0,0,0,0,0|2,0,0]=2 896 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,0,0,0,0,0|2,0,0]=2 897 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,0,0,0,0,0|2,0,0]=2 898 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,0,0,0,0,0|2,0,0]=2 899 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,0,0,0,0,0|2,0,0]=2 900 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,0,0,0,0,0|2,0,0]=2 901 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,0,0,0,0,0|2,0,0]=2 902 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,0,0,0,0,0|2,0,0]=2 903 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,0,0,0,0,0|2,0,0]=2 904 B11R0.40 COC(=O)COCCNCCF 34a_100000724931_100000090808 [0,0,0,0,0,0|3,0,0]=3 905 B11R0.40 COC(=O)COCCNCCO 2230a_100016997473_100000090808 [0,0,0,0,0,0|3,0,0]=3 906 B11R0.40 COC(=O)COCCNCCO 34a_100016990907_100000090808 [0,0,0,0,0,0|3,0,0]=3 907 B11R0.40 COC(=O)COCCOCCBr 34a_100000211926_100000090808 [0,0,0,0,0,0|3,0,0]=3 908 B11R0.40 COC(=O)COCCOCCBr 34a_100000692535_100000747449 [0,0,0,0,0,0|3,0,0]=3 909 B11R0.40 COC(=O)COCCOCCBr 7a_100000692535_100000747449 [0,0,0,0,0,0|3,0,0]=3 910 B11R0.40 COC(=O)COCCOCCCl 34a_100011215305_100000747449 [0,0,0,0,0,0|3,0,0]=3 911 B11R0.40 COC(=O)COCCOCCCl 7a_100011215305_100000747449 [0,0,0,0,0,0|3,0,0]=3 912 B11R0.40 COC(=O)COCCOCCF 34a_200015357709_100000747449 [0,0,0,0,0,0|3,0,0]=3 913 B11R0.40 COC(=O)COCCOCCF 7a_200015357709_100000747449 [0,0,0,0,0,0|3,0,0]=3 914 B11R0.40 COC(=O)COCCOCCI 34a_100012149058_100000747449 [0,0,0,0,0,0|3,0,0]=3 915 B11R0.40 COC(=O)COCCOCCI 7a_100012149058_100000747449 [0,0,0,0,0,0|3,0,0]=3 916 B11R0.40 COC(=O)COCCOCCN 34a_100000210304_100000090808 [0,0,0,0,0,0|3,0,0]=3 917 B11R0.40 COC(=O)COCCOCCN 34a_100000211614_100000747449 [0,0,0,0,0,0|3,0,0]=3 918 B11R0.40 COC(=O)COCCSCC#N 62a_100000090808_100011215382 [0,0,0,0,0,0|3,0,1]=4 919 B11R0.40 COC(=O)COCCSCC#N 62a_100011215382_100000090808 [0,0,0,0,0,0|3,0,1]=4 920 B11R0.40 COC(=O)COCCSCC=O 62a_100000090808_200015260668 [0,0,0,0,0,0|3,0,1]=4 921 B11R0.40 COC(=O)COCCSCC=O 62a_200015260668_100000090808 [0,0,0,0,0,0|3,0,1]=4 922 B11R0.40 COC(=O)COCCSCCF 62a_100000090808_100011217306 [0,0,0,0,0,0|3,0,0]=3 923 B11R0.40 COC(=O)COCCSCCF 62a_100011217306_100000090808 [0,0,0,0,0,0|3,0,0]=3 924 B11R0.40 COC(=O)COCCSCCO 62a_100000090808_100000211926 [0,0,0,0,0,0|3,0,0]=3 925 B11R0.40 COC(=O)COCCSCCO 62a_100000211926_100000090808 [0,0,0,0,0,0|3,0,0]=3 926 B11R0.40 COC(=O)COCCSCSC 62a_100000090808_100011218213 [0,0,0,0,0,0|3,0,0]=3 927 B11R0.40 COC(=O)COCCSCSC 62a_100011218213_100000090808 [0,0,0,0,0,0|3,0,0]=3 928 B11R0.40 COC(=O)CSCCCCC#N 62a_100000747449_100000211819 [0,0,0,0,0,0|2,0,1]=3 929 B11R0.40 COC(=O)CSCCCCC#N 62a_100011219923_100000747449 [0,0,0,0,0,0|2,0,1]=3 930 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [0,0,0,0,0,0|2,0,1]=3 931 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [0,0,0,0,0,0|2,0,1]=3 932 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,0,0,0,0,0|2,0,0]=2 933 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,0,0,0,0,0|2,0,0]=2 934 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,0,0,0,0,0|2,0,0]=2 935 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,0,0,0,0,0|2,0,0]=2 936 B11R0.40 COC(=O)CSCCOCC#N 62a_100000747449_200000047693 [0,0,0,0,0,0|3,0,1]=4 937 B11R0.40 COC(=O)CSCCOCC#N 62a_200000047693_100000747449 [0,0,0,0,0,0|3,0,1]=4 938 B11R0.40 COC(=O)CSCCOCCO 62a_100000747449_100011215305 [0,0,0,0,0,0|3,0,0]=3 939 B11R0.40 COC(=O)CSCCOCCO 62a_100011215305_100000747449 [0,0,0,0,0,0|3,0,0]=3 940 B11R0.40 COC(=O)NCCOCCCF 34a_100000757965_100011934791 [0,0,0,0,0,0|3,0,0]=3 941 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [0,0,0,0,0,0|3,0,0]=3 942 B11R0.40 COC(=O)NCCOCCSC 34a_100000757965_100000212216 [0,0,0,0,0,0|3,0,0]=3 943 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,0,0,0,0,0|3,0,0]=3 944 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,0,0,0,0,0|3,0,0]=3 945 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,0,0,0,0,0|3,0,0]=3 946 B11R0.40 COC(=O)OCSCCCC#N 62a_100000687738_100000139417 [0,0,0,0,0,0|3,0,1]=4 947 B11R0.40 COC(=O)OCSCCCC=O 62a_200011292268_100000139417 [0,0,0,0,0,0|3,0,1]=4 948 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [0,0,0,0,0,0|3,0,0]=3 949 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [0,0,0,0,0,0|3,0,0]=3 950 B11R0.40 COC(C)CCOCCCCF 7a_100000764861_100000729493 [0,0,0,0,0,0|3,0,1]=4 951 B11R0.40 COC(C)CCOCCCCO 7a_100000764861_100000210776 [0,0,0,0,0,0|3,0,1]=4 952 B11R0.40 COC(C)COCCCCCF 34a_100000690652_100000729378 [0,0,0,0,0,0|3,0,1]=4 953 B11R0.40 COC(C)COCCCCCO 34a_100000690652_100000746330 [0,0,0,0,0,0|3,0,1]=4 954 B11R0.40 COC(C)SCCCCCCF 62a_100009879195_100015922095 [0,0,0,0,0,0|3,0,1]=4 955 B11R0.40 COC(C)SCCCCCCF 62a_100015922095_100009879195 [0,0,0,0,0,0|3,0,1]=4 956 B11R0.40 COC(C)SCCCCCCO 62a_100000766143_100009879195 [0,0,0,0,0,0|3,0,1]=4 957 B11R0.40 COC(C)SCCCCCCO 62a_100009879195_100000766143 [0,0,0,0,0,0|3,0,1]=4 958 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,0,0,0,0,0|3,0,0]=3 959 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,0,0,0,0,0|1,0,0]=1 960 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,0,0,0,0,0|1,0,0]=1 961 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,0,0,0,0,0|1,0,0]=1 962 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,0,0,0,0,0|4,0,0]=4 963 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,0,0,0,0,0|4,0,0]=4 964 B11R0.40 COCCCCNC[C@@H](C)OC 2230a_100020591295_100000730899 [0,0,0,0,0,0|3,0,1]=4 965 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,0,0,0,0,0|2,0,0]=2 966 B11R0.40 COCCCCOCC(C)OC 34a_100000690652_100000755781 [0,0,0,0,0,0|3,0,1]=4 967 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,0,0,0,0,0|2,0,0]=2 968 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,0,0,0,0,0|2,0,0]=2 969 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,0,0,0,0,0|2,0,0]=2 970 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,0,0,0,0,0|2,0,0]=2 971 B11R0.40 COCCCOCCC(C)OC 7a_100000764861_100000740836 [0,0,0,0,0,0|3,0,1]=4 972 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,0,0,0,0,0|2,0,0]=2 973 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,0,0,0,0,0|2,0,0]=2 974 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [0,0,0,0,0,0|3,0,0]=3 975 B11R0.40 COCCNC/C=C/C(=O)OC 2230a_100000209980_100000742655 [0,0,0,0,0,0|2,0,2]=4 976 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,0,0,0,0,0|2,0,0]=2 977 B11R0.40 COCCOC/C=C/C(=O)OC 34a_100000210237_100000742655 [0,0,0,0,0,0|2,0,2]=4 978 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,0,0,0,0,0|4,0,0]=4 979 B11R0.40 COCCOCCCC(=O)NN 34a_100000211488_100011201679 [0,0,0,0,0,0|4,0,0]=4 980 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,0,0,0,0,0|2,0,0]=2 981 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [0,0,0,0,0,0|3,0,0]=3 982 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,0,0,0,0,0|3,0,0]=3 983 B11R0.40 COCCOCSCC(=O)OC 62a_100000231047_100000747449 [0,0,0,0,0,0|3,0,0]=3 984 B11R0.40 COCCOCSCC(=O)OC 62a_100000747449_100000231047 [0,0,0,0,0,0|3,0,0]=3 985 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000233755_100000742655 [0,0,0,0,0,0|2,0,2]=4 986 B11R0.40 COCCSC/C=C/C(=O)OC 62a_100000742655_100000233755 [0,0,0,0,0,0|2,0,2]=4 987 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,0,0,0,0,0|2,0,0]=2 988 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,0,0,0,0,0|2,0,0]=2 989 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,0,0,0,0,0|2,0,0]=2 990 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,0,0,0,0,0|2,0,0]=2 991 B11R0.40 COCSCCOCC(=O)OC 62a_100000090808_100000766300 [0,0,0,0,0,0|3,0,0]=3 992 B11R0.40 COCSCCOCC(=O)OC 62a_100000766300_100000090808 [0,0,0,0,0,0|3,0,0]=3 993 B11R0.40 CO[C@H](C)CNCCCCCF 2230a_100020591295_100000729378 [0,0,0,0,0,0|3,0,1]=4 994 B11R0.40 CO[C@H](C)CNCCCCCO 2230a_100020591295_100000746330 [0,0,0,0,0,0|3,0,1]=4 995 B11R0.40 CSCCOCCCC(=O)NN 34a_100000211488_100000212216 [0,0,0,0,0,0|4,0,0]=4 996 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,0,0,0,0,0|3,0,1]=4 997 B11R0.40 NNC(=O)CCCOCCCF 34a_100000211488_100011934791 [0,0,0,0,0,0|4,0,0]=4 998 B11R0.40 NNC(=O)CCCOCCCO 34a_100000211488_100000230001 [0,0,0,0,0,0|4,0,0]=4 999 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,0,0,0,0,0|3,0,0]=3 1000 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,0,0,0,0,0|3,0,0]=3 1001 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,0,0,0,0,0|4,0,0]=4 1002 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,0,0,0,0,0|4,0,0]=4 1003 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [1,0,0,0,0,0|0,0,2]=3 1004 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [1,0,0,0,0,0|0,0,2]=3 1005 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [1,0,0,0,0,0|0,0,2]=3 1006 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [1,0,0,0,0,0|1,0,2]=4 1007 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [1,0,0,0,0,0|1,0,2]=4 1008 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [1,0,0,0,0,0|1,0,2]=4 1009 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [1,0,0,0,0,0|1,0,2]=4 1010 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [1,0,0,0,0,0|1,0,2]=4 1011 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [1,0,0,0,0,0|1,0,2]=4 1012 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [1,0,0,0,0,0|1,0,2]=4 1013 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [1,0,0,0,0,0|1,0,2]=4 1014 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [1,0,0,0,0,0|1,0,2]=4 1015 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [1,0,0,0,0,0|1,0,2]=4 1016 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [1,0,0,0,0,0|1,0,2]=4 1017 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [1,0,0,0,0,0|1,0,2]=4 1018 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [1,0,0,0,0,0|1,0,2]=4 1019 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [1,0,0,0,0,0|1,0,2]=4 1020 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [1,0,0,0,0,0|1,0,2]=4 1021 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [1,0,0,0,0,0|1,0,2]=4 1022 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [1,0,0,0,0,0|1,0,2]=4 1023 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [1,0,0,0,0,0|1,0,2]=4 1024 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [1,0,0,0,0,0|1,0,2]=4 1025 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [1,0,0,0,0,0|1,0,2]=4 1026 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [1,0,0,0,0,0|1,0,2]=4 1027 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [1,0,0,0,0,0|2,0,1]=4 1028 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,0,0,0,0,0|2,0,0]=3 1029 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [1,0,0,0,0,0|3,0,0]=4 1030 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [1,0,0,0,0,0|3,0,0]=4 1031 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [1,0,0,0,0,0|3,0,0]=4 1032 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [1,0,0,0,0,0|3,0,0]=4 1033 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [1,0,0,0,0,0|3,0,0]=4 1034 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [1,0,0,0,0,0|3,0,0]=4 1035 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [1,0,0,0,0,0|3,0,0]=4 1036 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [1,0,0,0,0,0|3,0,0]=4 1037 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,0,0,0,0,0|2,0,0]=3 1038 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,0,0,0,0,0|2,0,0]=3 1039 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,0,0,0,0,0|2,0,0]=3 1040 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [1,0,0,0,0,0|3,0,0]=4 1041 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [1,0,0,0,0,0|3,0,0]=4 1042 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [1,0,0,0,0,0|3,0,0]=4 1043 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [1,0,0,0,0,0|3,0,0]=4 1044 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [1,0,0,0,0,0|3,0,0]=4 1045 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [1,0,0,0,0,0|3,0,0]=4 1046 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [1,0,0,0,0,0|3,0,0]=4 1047 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [1,0,0,0,0,0|3,0,0]=4 1048 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [1,0,0,0,0,0|3,0,0]=4 1049 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [1,0,0,0,0,0|3,0,0]=4 1050 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [1,0,0,0,0,0|3,0,0]=4 1051 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [1,0,0,0,0,0|3,0,0]=4 1052 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [1,0,0,0,0,0|3,0,0]=4 1053 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [1,0,0,0,0,0|3,0,0]=4 1054 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [1,0,0,0,0,0|3,0,0]=4 1055 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [1,0,0,0,0,0|3,0,0]=4 1056 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [1,0,0,0,0,0|3,0,0]=4 1057 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [1,0,0,0,0,0|3,0,0]=4 1058 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [1,0,0,0,0,0|3,0,0]=4 1059 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,0,0,0,0,0|2,0,0]=3 1060 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,0,0,0,0,0|2,0,0]=3 1061 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [1,0,0,0,0,0|3,0,0]=4 1062 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [1,0,0,0,0,0|3,0,0]=4 1063 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [1,0,0,0,0,0|3,0,0]=4 1064 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [1,0,0,0,0,0|3,0,0]=4 1065 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [1,0,0,0,0,0|3,0,0]=4 1066 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [1,0,0,0,0,0|3,0,0]=4 1067 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [1,0,0,0,0,0|3,0,0]=4 1068 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [1,0,0,0,0,0|3,0,0]=4 1069 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [1,0,0,0,0,0|3,0,0]=4 1070 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [1,0,0,0,0,0|3,0,0]=4 1071 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,0,0,0,0,0|2,0,0]=3 1072 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [1,0,0,0,0,0|3,0,0]=4 1073 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [1,0,0,0,0,0|3,0,0]=4 1074 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [1,0,0,0,0,0|3,0,0]=4 1075 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [1,0,0,0,0,0|3,0,0]=4 1076 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [1,0,0,0,0,0|3,0,0]=4 1077 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [1,0,0,0,0,0|3,0,0]=4 1078 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [1,0,0,0,0,0|3,0,0]=4 1079 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [1,0,0,0,0,0|3,0,0]=4 1080 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [1,0,0,0,0,0|3,0,0]=4 1081 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,0,0,0,0,0|2,0,0]=3 1082 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,0,0,0,0,0|2,0,0]=3 1083 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,0,0,0,0,0|2,0,0]=3 1084 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [1,0,0,0,0,0|3,0,0]=4 1085 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [1,0,0,0,0,0|3,0,0]=4 1086 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [1,0,0,0,0,0|3,0,0]=4 1087 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [1,0,0,0,0,0|3,0,0]=4 1088 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [1,0,0,0,0,0|3,0,0]=4 1089 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [1,0,0,0,0,0|3,0,0]=4 1090 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [1,0,0,0,0,0|3,0,0]=4 1091 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [1,0,0,0,0,0|3,0,0]=4 1092 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [1,0,0,0,0,0|3,0,0]=4 1093 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [1,0,0,0,0,0|3,0,0]=4 1094 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [1,0,0,0,0,0|3,0,0]=4 1095 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [1,0,0,0,0,0|3,0,0]=4 1096 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [1,0,0,0,0,0|3,0,0]=4 1097 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [1,0,0,0,0,0|3,0,0]=4 1098 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [1,0,0,0,0,0|3,0,0]=4 1099 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [1,0,0,0,0,0|3,0,0]=4 1100 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [1,0,0,0,0,0|3,0,0]=4 1101 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [1,0,0,0,0,0|3,0,0]=4 1102 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [1,0,0,0,0,0|3,0,0]=4 1103 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [1,0,0,0,0,0|3,0,0]=4 1104 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [1,0,0,0,0,0|3,0,0]=4 1105 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [1,0,0,0,0,0|3,0,0]=4 1106 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,0,0,0,0,0|2,0,0]=3 1107 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,0,0,0,0,0|2,0,0]=3 1108 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [1,0,0,0,0,0|3,0,0]=4 1109 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [1,0,0,0,0,0|3,0,0]=4 1110 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [1,0,0,0,0,0|3,0,0]=4 1111 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [1,0,0,0,0,0|3,0,0]=4 1112 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [1,0,0,0,0,0|3,0,0]=4 1113 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [1,0,0,0,0,0|3,0,0]=4 1114 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [1,0,0,0,0,0|3,0,0]=4 1115 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [1,0,0,0,0,0|3,0,0]=4 1116 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [1,0,0,0,0,0|3,0,0]=4 1117 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [1,0,0,0,0,0|3,0,0]=4 1118 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [1,0,0,0,0,0|3,0,0]=4 1119 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [1,0,0,0,0,0|3,0,0]=4 1120 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [1,0,0,0,0,0|2,0,1]=4 1121 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [1,0,0,0,0,0|2,0,1]=4 1122 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [1,0,0,0,0,0|2,0,1]=4 1123 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [1,0,0,0,0,0|2,0,1]=4 1124 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [1,0,0,0,0,0|2,0,1]=4 1125 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [1,0,0,0,0,0|2,0,1]=4 1126 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [1,0,0,0,0,0|0,0,2]=3 1127 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [1,0,0,0,0,0|0,0,2]=3 1128 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [1,0,0,0,0,0|0,0,2]=3 1129 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [1,0,0,0,0,0|1,0,2]=4 1130 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [1,0,0,0,0,0|1,0,2]=4 1131 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [1,0,0,0,0,0|1,0,2]=4 1132 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [1,0,0,0,0,0|1,0,2]=4 1133 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [1,0,0,0,0,0|1,0,2]=4 1134 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [1,0,0,0,0,0|1,0,2]=4 1135 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [1,0,0,0,0,0|1,0,2]=4 1136 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [1,0,0,0,0,0|1,0,2]=4 1137 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [1,0,0,0,0,0|1,0,2]=4 1138 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [1,0,0,0,0,0|1,0,2]=4 1139 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [1,0,0,0,0,0|1,0,2]=4 1140 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [1,0,0,0,0,0|1,0,2]=4 1141 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [1,0,0,0,0,0|1,0,2]=4 1142 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [1,0,0,0,0,0|1,0,2]=4 1143 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [1,0,0,0,0,0|1,0,2]=4 1144 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [1,0,0,0,0,0|1,0,2]=4 1145 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [1,0,0,0,0,0|1,0,2]=4 1146 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [1,0,0,0,0,0|1,0,2]=4 1147 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [1,0,0,0,0,0|1,0,2]=4 1148 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [1,0,0,0,0,0|1,0,2]=4 1149 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [1,0,0,0,0,0|1,0,2]=4 1150 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [1,0,0,0,0,0|1,0,1]=3 1151 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,0,0,0,0,0|1,0,0]=2 1152 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,0,0,0,0,0|1,0,0]=2 1153 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [1,0,0,0,0,0|3,0,0]=4 1154 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [1,0,0,0,0,0|2,0,0]=3 1155 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,0,0,0,0,0|2,0,0]=3 1156 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [1,0,0,0,0,0|2,0,0]=3 1157 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [1,0,0,0,0,0|2,0,0]=3 1158 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [1,0,0,0,0,0|2,0,1]=4 1159 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [1,0,0,0,0,0|2,0,1]=4 1160 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [1,0,0,0,0,0|2,0,1]=4 1161 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [1,0,0,0,0,0|2,0,1]=4 1162 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [1,0,0,0,0,0|2,0,0]=3 1163 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [1,0,0,0,0,0|2,0,0]=3 1164 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,0,0,0,0,0|2,0,0]=3 1165 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,0,0,0,0,0|2,0,0]=3 1166 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,0,0,0,0,0|2,0,0]=3 1167 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [1,0,0,0,0,0|2,0,1]=4 1168 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,0,0,0,0,0|2,0,0]=3 1169 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,0,0,0,0,0|2,0,0]=3 1170 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,0,0,0,0,0|2,0,0]=3 1171 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,0,0,0,0,0|2,0,0]=3 1172 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,0,0,0,0,0|2,0,0]=3 1173 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,0,0,0,0,0|2,0,0]=3 1174 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,0,0,0,0,0|2,0,0]=3 1175 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,0,0,0,0,0|2,0,0]=3 1176 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [1,0,0,0,0,0|3,0,0]=4 1177 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [1,0,0,0,0,0|2,0,1]=4 1178 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [1,0,0,0,0,0|2,0,1]=4 1179 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,0,0,0,0,0|2,0,0]=3 1180 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,0,0,0,0,0|2,0,0]=3 1181 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,0,0,0,0,0|2,0,0]=3 1182 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,0,0,0,0,0|2,0,0]=3 1183 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [1,0,0,0,0,0|2,0,1]=4 1184 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [1,0,0,0,0,0|2,0,1]=4 1185 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,0,0,0,0,0|2,0,0]=3 1186 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,0,0,0,0,0|2,0,0]=3 1187 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,0,0,0,0,0|2,0,0]=3 1188 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,0,0,0,0,0|2,0,0]=3 1189 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,0,0,0,0,0|2,0,0]=3 1190 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,0,0,0,0,0|2,0,0]=3 1191 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [1,0,0,0,0,0|2,0,1]=4 1192 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [1,0,0,0,0,0|2,0,1]=4 1193 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [1,0,0,0,0,0|2,0,1]=4 1194 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [1,0,0,0,0,0|2,0,1]=4 1195 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,0,0,0,0,0|2,0,0]=3 1196 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,0,0,0,0,0|2,0,0]=3 1197 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,0,0,0,0,0|2,0,0]=3 1198 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,0,0,0,0,0|2,0,0]=3 1199 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,0,0,0,0,0|2,0,0]=3 1200 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,0,0,0,0,0|2,0,0]=3 1201 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [1,0,0,0,0,0|3,0,0]=4 1202 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [1,0,0,0,0,0|3,0,0]=4 1203 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [1,0,0,0,0,0|2,0,1]=4 1204 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [1,0,0,0,0,0|2,0,1]=4 1205 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [1,0,0,0,0,0|2,0,1]=4 1206 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [1,0,0,0,0,0|2,0,1]=4 1207 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,0,0,0,0,0|2,0,0]=3 1208 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,0,0,0,0,0|2,0,0]=3 1209 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,0,0,0,0,0|2,0,0]=3 1210 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,0,0,0,0,0|2,0,0]=3 1211 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [1,0,0,0,0,0|3,0,0]=4 1212 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [1,0,0,0,0,0|3,0,0]=4 1213 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [1,0,0,0,0,0|3,0,0]=4 1214 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [1,0,0,0,0,0|3,0,0]=4 1215 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [1,0,0,0,0,0|3,0,0]=4 1216 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [1,0,0,0,0,0|3,0,0]=4 1217 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [1,0,0,0,0,0|3,0,0]=4 1218 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [1,0,0,0,0,0|3,0,0]=4 1219 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [1,0,0,0,0,0|3,0,0]=4 1220 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [1,0,0,0,0,0|3,0,0]=4 1221 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [1,0,0,0,0,0|3,0,0]=4 1222 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [1,0,0,0,0,0|3,0,0]=4 1223 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [1,0,0,0,0,0|3,0,0]=4 1224 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [1,0,0,0,0,0|3,0,0]=4 1225 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,0,0,0,0,0|2,0,0]=3 1226 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,0,0,0,0,0|2,0,0]=3 1227 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [1,0,0,0,0,0|3,0,0]=4 1228 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [1,0,0,0,0,0|3,0,0]=4 1229 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [1,0,0,0,0,0|3,0,0]=4 1230 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [1,0,0,0,0,0|3,0,0]=4 1231 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [1,0,0,0,0,0|3,0,0]=4 1232 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [1,0,0,0,0,0|3,0,0]=4 1233 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [1,0,0,0,0,0|3,0,0]=4 1234 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [1,0,0,0,0,0|3,0,0]=4 1235 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [1,0,0,0,0,0|3,0,0]=4 1236 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [1,0,0,0,0,0|3,0,0]=4 1237 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [1,0,0,0,0,0|3,0,0]=4 1238 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [1,0,0,0,0,0|3,0,0]=4 1239 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [1,0,0,0,0,0|3,0,0]=4 1240 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [1,0,0,0,0,0|3,0,0]=4 1241 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [1,0,0,0,0,0|3,0,0]=4 1242 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [1,0,0,0,0,0|3,0,0]=4 1243 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [1,0,0,0,0,0|3,0,0]=4 1244 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [1,0,0,0,0,0|3,0,0]=4 1245 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [1,0,0,0,0,0|3,0,0]=4 1246 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [1,0,0,0,0,0|3,0,0]=4 1247 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [1,0,0,0,0,0|3,0,0]=4 1248 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [1,0,0,0,0,0|3,0,0]=4 1249 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [1,0,0,0,0,0|3,0,0]=4 1250 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [1,0,0,0,0,0|3,0,0]=4 1251 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [1,0,0,0,0,0|3,0,0]=4 1252 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [1,0,0,0,0,0|3,0,0]=4 1253 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [1,0,0,0,0,0|3,0,0]=4 1254 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [1,0,0,0,0,0|3,0,0]=4 1255 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [1,0,0,0,0,0|3,0,0]=4 1256 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [1,0,0,0,0,0|3,0,0]=4 1257 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [1,0,0,0,0,0|3,0,0]=4 1258 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [1,0,0,0,0,0|3,0,0]=4 1259 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [1,0,0,0,0,0|3,0,0]=4 1260 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [1,0,0,0,0,0|3,0,0]=4 1261 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [1,0,0,0,0,0|3,0,0]=4 1262 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [1,0,0,0,0,0|3,0,0]=4 1263 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [1,0,0,0,0,0|3,0,0]=4 1264 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [1,0,0,0,0,0|3,0,0]=4 1265 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [1,0,0,0,0,0|3,0,0]=4 1266 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [1,0,0,0,0,0|3,0,0]=4 1267 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [1,0,0,0,0,0|3,0,0]=4 1268 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [1,0,0,0,0,0|3,0,0]=4 1269 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [1,0,0,0,0,0|3,0,0]=4 1270 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [1,0,0,0,0,0|3,0,0]=4 1271 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [1,0,0,0,0,0|2,0,1]=4 1272 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [1,0,0,0,0,0|2,0,1]=4 1273 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [1,0,0,0,0,0|1,0,2]=4 1274 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [1,0,0,0,0,0|1,0,2]=4 1275 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [1,0,0,0,0,0|1,0,2]=4 1276 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [1,0,0,0,0,0|1,0,2]=4 1277 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [1,0,0,0,0,0|1,0,2]=4 1278 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [1,0,0,0,0,0|1,0,2]=4 1279 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [1,0,0,0,0,0|1,0,2]=4 1280 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [1,0,0,0,0,0|1,0,2]=4 1281 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [1,0,0,0,0,0|1,0,2]=4 1282 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [1,0,0,0,0,0|1,0,2]=4 1283 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [1,0,0,0,0,0|1,0,2]=4 1284 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [1,0,0,0,0,0|1,0,2]=4 1285 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [1,0,0,0,0,0|1,0,2]=4 1286 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [1,0,0,0,0,0|1,0,2]=4 1287 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,0,0,0,0,0|0,0,2]=3 1288 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,0,0,0,0,0|0,0,2]=3 1289 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,0,0,0,0,0|0,0,2]=3 1290 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [1,0,0,0,0,0|2,0,1]=4 1291 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,0,0,0,0,0|0,0,2]=3 1292 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,0,0,0,0,0|0,0,2]=3 1293 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,0,0,0,0,0|0,0,0]=1 1294 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,0,0,0,0,0|0,0,0]=1 1295 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,0,0,0,0,0|0,0,0]=1 1296 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [1,0,0,0,0,0|2,0,0]=3 1297 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [1,0,0,0,0,0|2,0,0]=3 1298 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [1,0,0,0,0,0|2,0,0]=3 1299 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [1,0,0,0,0,0|2,0,0]=3 1300 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [1,0,0,0,0,0|2,0,0]=3 1301 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [1,0,0,0,0,0|2,0,0]=3 1302 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,0,0,0,0,0|1,0,0]=2 1303 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,0,0,0,0,0|1,0,0]=2 1304 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,0,0,0,0,0|1,0,0]=2 1305 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,0,0,0,0,0|1,0,0]=2 1306 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,0,0,0,0,0|2,0,1]=4 1307 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,0,0,0,0,0|2,0,1]=4 1308 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,0,0,0,0,0|2,0,1]=4 1309 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,0,0,0,0,0|2,0,1]=4 1310 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,0,0,0,0,0|2,0,1]=4 1311 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,0,0,0,0,0|2,0,1]=4 1312 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,0,0,0,0,0|2,0,1]=4 1313 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,0,0,0,0,0|2,0,1]=4 1314 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,0,0,0,0,0|2,0,0]=3 1315 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,0,0,0,0,0|2,0,0]=3 1316 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,0,0,0,0,0|1,0,0]=2 1317 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,0,0,0,0,0|2,0,1]=4 1318 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,0,0,0,0,0|2,0,1]=4 1319 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,0,0,0,0,0|2,0,1]=4 1320 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,0,0,0,0,0|2,0,1]=4 1321 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,0,0,0,0,0|1,0,2]=4 1322 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,0,0,0,0,0|1,0,2]=4 1323 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,0,0,0,0,0|1,0,2]=4 1324 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,0,0,0,0,0|1,0,2]=4 1325 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,0,0,0,0,0|1,0,0]=2 1326 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,0,0,0,0,0|2,0,0]=3 1327 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,0,0,0,0,0|2,0,0]=3 1328 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,0,0,0,0,0|1,0,1]=3 1329 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,0,0,0,0,0|2,0,1]=4 1330 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,0,0,0,0,0|2,0,1]=4 1331 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,0,0,0,0,0|2,0,1]=4 1332 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,0,0,0,0,0|2,0,1]=4 1333 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,0,0,0,0,0|2,0,1]=4 1334 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,0,0,0,0,0|1,0,2]=4 1335 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,0,0,0,0,0|1,0,2]=4 1336 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,0,0,0,0,0|2,0,1]=4 1337 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,0,0,0,0,0|2,0,1]=4 1338 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,0,0,0,0,0|1,0,2]=4 1339 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,0,0,0,0,0|1,0,2]=4 1340 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [1,0,0,0,0,0|2,0,1]=4 1341 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,0,0,0,0,0|2,0,0]=3 1342 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,0,0,0,0,0|2,0,0]=3 1343 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,0,0,0,0,0|1,0,1]=3 1344 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,0,0,0,0,0|1,0,1]=3 1345 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,0,0,0,0,0|2,0,1]=4 1346 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,0,0,0,0,0|2,0,1]=4 1347 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,0,0,0,0,0|1,0,2]=4 1348 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,0,0,0,0,0|1,0,2]=4 1349 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,0,0,0,0,0|1,0,2]=4 1350 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,0,0,0,0,0|1,0,2]=4 1351 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [1,0,0,0,0,0|2,0,1]=4 1352 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [1,0,0,0,0,0|2,0,1]=4 1353 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [1,0,0,0,0,0|2,0,1]=4 1354 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,0,0,0,0,0|2,0,0]=3 1355 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,0,0,0,0,0|2,0,1]=4 1356 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,0,0,0,0,0|2,0,1]=4 1357 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,0,0,0,0,0|1,0,2]=4 1358 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,0,0,0,0,0|1,0,2]=4 1359 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,0,0,0,0,0|2,0,0]=3 1360 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [1,0,0,0,0,0|2,0,1]=4 1361 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [1,0,0,0,0,0|2,0,1]=4 1362 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [1,0,0,0,0,0|2,0,1]=4 1363 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,0,0,0,0,0|1,0,0]=2 1364 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,0,0,0,0,0|1,0,0]=2 1365 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,0,0,0,0,0|1,0,0]=2 1366 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,0,0,0,0,0|2,0,0]=3 1367 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,0,0,0,0,0|2,0,0]=3 1368 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,0,0,0,0,0|2,0,0]=3 1369 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,0,0,0,0,0|2,0,0]=3 1370 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,0,0,0,0,0|2,0,1]=4 1371 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,0,0,0,0,0|2,0,1]=4 1372 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,0,0,0,0,0|2,0,1]=4 1373 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,0,0,0,0,0|2,0,1]=4 1374 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,0,0,0,0,0|2,0,1]=4 1375 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,0,0,0,0,0|1,0,2]=4 1376 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,0,0,0,0,0|1,0,2]=4 1377 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [1,0,0,0,0,0|3,0,0]=4 1378 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,0,0,0,0,0|2,0,1]=4 1379 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,0,0,0,0,0|2,0,0]=3 1380 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [1,0,0,0,0,0|2,0,1]=4 1381 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [1,0,0,0,0,0|2,0,1]=4 1382 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,0,0,0,0,0|1,0,0]=2 1383 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,0,0,0,0,0|1,0,0]=2 1384 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,0,0,0,0,0|2,0,0]=3 1385 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,0,0,0,0,0|2,0,0]=3 1386 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,0,0,0,0,0|2,0,1]=4 1387 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,0,0,0,0,0|2,0,1]=4 1388 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,0,0,0,0,0|1,0,2]=4 1389 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,0,0,0,0,0|1,0,2]=4 1390 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [1,0,0,0,0,0|3,0,0]=4 1391 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,0,0,0,0,0|2,0,0]=3 1392 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,0,0,0,0,0|2,0,0]=3 1393 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [1,0,0,0,0,0|2,0,1]=4 1394 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [1,0,0,0,0,0|2,0,1]=4 1395 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,0,0,0,0,0|1,0,0]=2 1396 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,0,0,0,0,0|2,0,0]=3 1397 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,0,0,0,0,0|2,0,0]=3 1398 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,0,0,0,0,0|2,0,1]=4 1399 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,0,0,0,0,0|2,0,1]=4 1400 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,0,0,0,0,0|2,0,1]=4 1401 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,0,0,0,0,0|2,0,1]=4 1402 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,0,0,0,0,0|1,0,2]=4 1403 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,0,0,0,0,0|1,0,2]=4 1404 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [1,0,0,0,0,0|3,0,0]=4 1405 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [1,0,0,0,0,0|2,0,0]=3 1406 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,0,0,0,0,0|2,0,0]=3 1407 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,0,0,0,0,0|2,0,0]=3 1408 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,0,0,0,0,0|2,0,0]=3 1409 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [1,0,0,0,0,0|3,0,0]=4 1410 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [1,0,0,0,0,0|3,0,0]=4 1411 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [1,0,0,0,0,0|3,0,0]=4 1412 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,0,0,0,0,0|2,0,0]=3 1413 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [1,0,0,0,0,0|3,0,0]=4 1414 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,0,0,0,0,0|2,0,1]=4 1415 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,0,0,0,0,0|2,0,1]=4 1416 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,0,0,0,0,0|1,0,0]=2 1417 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,0,0,0,0,0|1,0,0]=2 1418 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,0,0,0,0,0|1,0,0]=2 1419 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,0,0,0,0,0|1,0,0]=2 1420 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,0,0,0,0,0|2,0,0]=3 1421 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,0,0,0,0,0|2,0,0]=3 1422 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,0,0,0,0,0|2,0,1]=4 1423 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,0,0,0,0,0|2,0,1]=4 1424 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,0,0,0,0,0|2,0,1]=4 1425 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,0,0,0,0,0|2,0,1]=4 1426 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,0,0,0,0,0|1,0,2]=4 1427 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,0,0,0,0,0|1,0,2]=4 1428 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [1,0,0,0,0,0|3,0,0]=4 1429 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [1,0,0,0,0,0|2,0,1]=4 1430 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,0,0,0,0,0|2,0,0]=3 1431 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,0,0,0,0,0|2,0,0]=3 1432 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [1,0,0,0,0,0|3,0,0]=4 1433 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [1,0,0,0,0,0|3,0,0]=4 1434 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,0,0,0,0,0|2,0,0]=3 1435 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,0,0,0,0,0|2,0,0]=3 1436 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [1,0,0,0,0,0|3,0,0]=4 1437 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [1,0,0,0,0,0|3,0,0]=4 1438 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [1,0,0,0,0,0|3,0,0]=4 1439 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [1,0,0,0,0,0|3,0,0]=4 1440 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,0,0,0,0,0|2,0,0]=3 1441 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [1,0,0,0,0,0|2,0,0]=3 1442 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [1,0,0,0,0,0|3,0,0]=4 1443 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [1,0,0,0,0,0|3,0,0]=4 1444 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [1,0,0,0,0,0|2,0,1]=4 1445 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [1,0,0,0,0,0|2,0,1]=4 1446 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [1,0,0,0,0,0|2,0,1]=4 1447 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [1,0,0,0,0,0|2,0,1]=4 1448 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,0,0,0,0,0|1,0,0]=2 1449 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,0,0,0,0,0|1,0,0]=2 1450 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,0,0,0,0,0|2,0,0]=3 1451 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,0,0,0,0,0|2,0,0]=3 1452 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,0,0,0,0,0|2,0,1]=4 1453 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,0,0,0,0,0|2,0,1]=4 1454 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,0,0,0,0,0|1,0,2]=4 1455 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,0,0,0,0,0|1,0,2]=4 1456 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [1,0,0,0,0,0|3,0,0]=4 1457 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,0,0,0,0,0|2,0,0]=3 1458 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,0,0,0,0,0|2,0,0]=3 1459 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,0,0,0,0,0|2,0,0]=3 1460 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,0,0,0,0,0|2,0,0]=3 1461 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,0,0,0,0,0|2,0,0]=3 1462 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,0,0,0,0,0|2,0,0]=3 1463 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [1,0,0,0,0,0|3,0,0]=4 1464 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [1,0,0,0,0,0|3,0,0]=4 1465 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,0,0,0,0,0|2,0,0]=3 1466 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,0,0,0,0,0|2,0,0]=3 1467 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [1,0,0,0,0,0|3,0,0]=4 1468 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [1,0,0,0,0,0|3,0,0]=4 1469 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,0,0,0,0,0|2,0,0]=3 1470 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,0,0,0,0,0|2,0,0]=3 1471 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,0,0,0,0,0|2,0,0]=3 1472 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [1,0,0,0,0,0|2,0,1]=4 1473 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,0,0,0,0,0|1,0,0]=2 1474 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,0,0,0,0,0|2,0,0]=3 1475 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,0,0,0,0,0|2,0,0]=3 1476 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,0,0,0,0,0|2,0,1]=4 1477 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,0,0,0,0,0|2,0,1]=4 1478 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,0,0,0,0,0|2,0,1]=4 1479 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [1,0,0,0,0,0|2,0,1]=4 1480 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [1,0,0,0,0,0|2,0,1]=4 1481 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,0,0,0,0,0|2,0,0]=3 1482 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,0,0,0,0,0|2,0,0]=3 1483 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,0,0,0,0,0|2,0,0]=3 1484 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,0,0,0,0,0|2,0,0]=3 1485 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,0,0,0,0,0|2,0,0]=3 1486 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [1,0,0,0,0,0|2,1,0]=4 1487 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,0,0,0,0,0|2,0,0]=3 1488 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [1,0,0,0,0,0|3,0,0]=4 1489 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [1,0,0,0,0,0|3,0,0]=4 1490 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [1,0,0,0,0,0|3,0,0]=4 1491 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,0,0,0,0,0|2,0,0]=3 1492 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [1,0,0,0,0,0|2,0,1]=4 1493 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,0,0,0,0,0|2,0,0]=3 1494 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [1,0,0,0,0,0|3,0,0]=4 1495 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [1,0,0,0,0,0|3,0,0]=4 1496 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [1,0,0,0,0,0|3,0,0]=4 1497 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [1,0,0,0,0,0|2,0,1]=4 1498 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [1,0,0,0,0,0|3,0,0]=4 1499 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [1,0,0,0,0,0|3,0,0]=4 1500 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [1,0,0,0,0,0|2,0,1]=4 1501 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [1,0,0,0,0,0|2,0,1]=4 1502 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [1,0,0,0,0,0|2,0,1]=4 1503 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [1,0,0,0,0,0|2,0,1]=4 1504 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,0,0,0,0,0|1,0,0]=2 1505 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,0,0,0,0,0|1,0,0]=2 1506 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,0,0,0,0,0|2,0,1]=4 1507 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,0,0,0,0,0|2,0,1]=4 1508 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [1,0,0,0,0,0|3,0,0]=4 1509 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,0,0,0,0,0|2,0,0]=3 1510 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,0,0,0,0,0|2,0,0]=3 1511 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [1,0,0,0,0,0|2,1,0]=4 1512 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [1,0,0,0,0,0|2,1,0]=4 1513 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,0,0,0,0,0|2,0,0]=3 1514 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,0,0,0,0,0|2,0,0]=3 1515 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [1,0,0,0,0,0|3,0,0]=4 1516 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [1,0,0,0,0,0|3,0,0]=4 1517 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [1,0,0,0,0,0|3,0,0]=4 1518 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [1,0,0,0,0,0|3,0,0]=4 1519 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [1,0,0,0,0,0|3,0,0]=4 1520 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [1,0,0,0,0,0|2,0,1]=4 1521 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [1,0,0,0,0,0|2,0,1]=4 1522 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,0,0,0,0,0|2,0,0]=3 1523 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,0,0,0,0,0|2,0,1]=4 1524 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,0,0,0,0,0|2,0,1]=4 1525 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,0,0,0,0,0|2,0,1]=4 1526 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,0,0,0,0,0|2,0,0]=3 1527 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,0,0,0,0,0|2,0,0]=3 1528 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,0,0,0,0,0|2,0,0]=3 1529 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [1,0,0,0,0,0|2,0,1]=4 1530 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,0,0,0,0,0|2,0,0]=3 1531 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,0,0,0,0,0|2,0,0]=3 1532 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,0,0,0,0,0|2,0,0]=3 1533 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,0,0,0,0,0|1,0,1]=3 1534 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,0,0,0,0,0|2,0,1]=4 1535 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,0,0,0,0,0|2,0,1]=4 1536 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,0,0,0,0,0|2,0,1]=4 1537 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,0,0,0,0,0|2,0,0]=3 1538 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,0,0,0,0,0|2,0,0]=3 1539 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,0,0,0,0,0|2,0,0]=3 1540 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [1,0,0,0,0,0|2,0,0]=3 1541 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [1,0,0,0,0,0|3,0,0]=4 1542 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [1,0,0,0,0,0|3,0,0]=4 1543 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [1,0,0,0,0,0|3,0,0]=4 1544 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,0,0,0,0,0|2,0,0]=3 1545 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [1,0,0,0,0,0|2,0,1]=4 1546 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [1,0,0,0,0,0|2,0,0]=3 1547 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [1,0,0,0,0,0|3,0,0]=4 1548 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [1,0,0,0,0,0|3,0,0]=4 1549 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [1,0,0,0,0,0|2,0,1]=4 1550 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [1,0,0,0,0,0|3,0,0]=4 1551 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [1,0,0,0,0,0|3,0,0]=4 1552 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [1,0,0,0,0,0|2,0,1]=4 1553 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [1,0,0,0,0,0|2,0,1]=4 1554 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [1,0,0,0,0,0|3,0,0]=4 1555 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [1,0,0,0,0,0|3,0,0]=4 1556 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [1,0,0,0,0,0|3,0,0]=4 1557 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [1,0,0,0,0,0|3,0,0]=4 1558 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [1,0,0,0,0,0|2,0,0]=3 1559 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [1,0,0,0,0,0|2,0,0]=3 1560 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [1,0,0,0,0,0|2,0,0]=3 1561 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [1,0,0,0,0,0|2,0,0]=3 1562 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [1,0,0,0,0,0|3,0,0]=4 1563 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [1,0,0,0,0,0|3,0,0]=4 1564 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [1,0,0,0,0,0|3,0,0]=4 1565 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [1,0,0,0,0,0|3,0,0]=4 1566 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [1,0,0,0,0,0|3,0,0]=4 1567 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [1,0,0,0,0,0|2,0,0]=3 1568 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [1,0,0,0,0,0|2,0,0]=3 1569 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [1,0,0,0,0,0|3,0,0]=4 1570 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [1,0,0,0,0,0|3,0,0]=4 1571 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [1,0,0,0,0,0|3,0,0]=4 1572 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [1,0,0,0,0,0|3,0,0]=4 1573 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [1,0,0,0,0,0|3,0,0]=4 1574 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [1,0,0,0,0,0|2,0,0]=3 1575 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [1,0,0,0,0,0|2,0,0]=3 1576 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [1,0,0,0,0,0|3,0,0]=4 1577 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [1,0,0,0,0,0|3,0,0]=4 1578 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [1,0,0,0,0,0|3,0,0]=4 1579 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [1,0,0,0,0,0|3,0,0]=4 1580 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [1,0,0,0,0,0|3,0,0]=4 1581 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [1,0,0,0,0,0|3,0,0]=4 1582 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [1,0,0,0,0,0|2,0,1]=4 1583 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [1,0,0,0,0,0|2,0,1]=4 1584 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,0,0,0,0,0|2,0,0]=3 1585 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,0,0,0,0,0|2,0,0]=3 1586 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,0,0,0,0,0|2,0,1]=4 1587 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,0,0,0,0,0|2,0,1]=4 1588 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,0,0,0,0,0|2,0,0]=3 1589 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,0,0,0,0,0|2,0,0]=3 1590 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [1,0,0,0,0,0|2,0,0]=3 1591 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [1,0,0,0,0,0|2,0,0]=3 1592 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [1,0,0,0,0,0|3,0,0]=4 1593 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [1,0,0,0,0,0|3,0,0]=4 1594 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [1,0,0,0,0,0|2,0,1]=4 1595 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [1,0,0,0,0,0|3,0,0]=4 1596 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [1,0,0,0,0,0|3,0,0]=4 1597 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [1,0,0,0,0,0|2,0,0]=3 1598 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [1,0,0,0,0,0|2,0,0]=3 1599 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [1,0,0,0,0,0|2,0,0]=3 1600 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [1,0,0,0,0,0|3,0,0]=4 1601 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [1,0,0,0,0,0|3,0,0]=4 1602 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [1,0,0,0,0,0|3,0,0]=4 1603 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [1,0,0,0,0,0|3,0,0]=4 1604 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [1,0,0,0,0,0|3,0,0]=4 1605 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [1,0,0,0,0,0|2,0,0]=3 1606 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [1,0,0,0,0,0|2,0,0]=3 1607 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [1,0,0,0,0,0|3,0,0]=4 1608 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [1,0,0,0,0,0|3,0,0]=4 1609 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [1,0,0,0,0,0|3,0,0]=4 1610 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [1,0,0,0,0,0|3,0,0]=4 1611 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [1,0,0,0,0,0|3,0,0]=4 1612 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [1,0,0,0,0,0|3,0,0]=4 1613 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [1,0,0,0,0,0|3,0,0]=4 1614 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [1,0,0,0,0,0|3,0,0]=4 1615 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [1,0,0,0,0,0|2,0,1]=4 1616 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [1,0,0,0,0,0|2,0,1]=4 1617 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [1,0,0,0,0,0|2,0,1]=4 1618 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [1,0,0,0,0,0|2,0,1]=4 1619 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [1,0,0,0,0,0|2,0,1]=4 1620 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,0,0,0,0,0|2,0,0]=3 1621 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,0,0,0,0,0|2,0,0]=3 1622 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,0,0,0,0,0|2,0,0]=3 1623 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,0,0,0,0,0|2,0,0]=3 1624 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,0,0,0,0,0|2,0,0]=3 1625 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [1,0,0,0,0,0|3,0,0]=4 1626 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [1,0,0,0,0,0|3,0,0]=4 1627 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [1,0,0,0,0,0|3,0,0]=4 1628 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [1,0,0,0,0,0|3,0,0]=4 1629 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [1,0,0,0,0,0|3,0,0]=4 1630 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [1,0,0,0,0,0|2,0,1]=4 1631 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,0,0,0,0,0|1,0,0]=2 1632 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [1,0,0,0,0,0|3,0,0]=4 1633 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [1,0,0,0,0,0|3,0,0]=4 1634 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,0,0,0,0,0|2,0,0]=3 1635 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,0,0,0,0,0|2,0,0]=3 1636 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,0,0,0,0,0|2,0,0]=3 1637 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,0,0,0,0,0|2,0,0]=3 1638 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,0,0,0,0,0|2,0,0]=3 1639 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [1,0,0,0,0,0|3,0,0]=4 1640 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,0,0,0,0,0|2,0,0]=3 1641 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [1,0,0,0,0,0|2,0,0]=3 1642 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [1,0,0,0,0,0|3,0,0]=4 1643 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [1,0,0,0,0,0|2,0,1]=4 1644 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [1,0,0,0,0,0|3,0,0]=4 1645 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [1,0,0,0,0,0|3,0,0]=4 1646 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [1,0,0,0,0,0|2,0,1]=4 1647 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [1,0,0,0,0,0|2,0,1]=4 1648 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [1,0,0,0,0,0|3,0,0]=4 1649 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [1,0,0,0,0,0|3,0,0]=4 1650 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [1,0,0,0,0,0|3,0,0]=4 1651 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [1,0,0,0,0,0|2,0,0]=3 1652 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [1,0,0,0,0,0|2,0,0]=3 1653 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [1,0,0,0,0,0|3,0,0]=4 1654 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [1,0,0,0,0,0|3,0,0]=4 1655 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [1,0,0,0,0,0|3,0,0]=4 1656 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [1,0,0,0,0,0|3,0,0]=4 1657 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,0,0,0,0,0|2,0,0]=3 1658 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,0,0,0,0,0|2,0,0]=3 1659 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [1,0,0,0,0,0|3,0,0]=4 1660 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [1,0,0,0,0,0|3,0,0]=4 1661 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [1,0,0,0,0,0|3,0,0]=4 1662 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [1,0,0,0,0,0|3,0,0]=4 1663 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [1,0,0,0,0,0|3,0,0]=4 1664 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [1,0,0,0,0,0|3,0,0]=4 1665 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [1,0,0,0,0,0|3,0,0]=4 1666 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [1,0,0,0,0,0|3,0,0]=4 1667 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [1,0,0,0,0,0|2,0,0]=3 1668 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [1,0,0,0,0,0|2,0,0]=3 1669 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [1,0,0,0,0,0|2,0,0]=3 1670 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [1,0,0,0,0,0|2,0,0]=3 1671 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [1,0,0,0,0,0|3,0,0]=4 1672 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [1,0,0,0,0,0|3,0,0]=4 1673 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [1,0,0,0,0,0|3,0,0]=4 1674 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [1,0,0,0,0,0|3,0,0]=4 1675 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [1,0,0,0,0,0|3,0,0]=4 1676 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [1,0,0,0,0,0|3,0,0]=4 1677 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [1,0,0,0,0,0|3,0,0]=4 1678 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [1,0,0,0,0,0|3,0,0]=4 1679 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [1,0,0,0,0,0|3,0,0]=4 1680 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,0,0,0,0,0|2,0,0]=3 1681 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,0,0,0,0,0|2,0,0]=3 1682 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [1,0,0,0,0,0|3,0,0]=4 1683 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [1,0,0,0,0,0|3,0,0]=4 1684 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [1,0,0,0,0,0|3,0,0]=4 1685 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [1,0,0,0,0,0|3,0,0]=4 1686 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [1,0,0,0,0,0|3,0,0]=4 1687 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [1,0,0,0,0,0|3,0,0]=4 1688 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [1,0,0,0,0,0|3,0,0]=4 1689 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [1,0,0,0,0,0|2,0,0]=3 1690 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [1,0,0,0,0,0|2,0,0]=3 1691 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [1,0,0,0,0,0|3,0,0]=4 1692 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [1,0,0,0,0,0|3,0,0]=4 1693 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [1,0,0,0,0,0|3,0,0]=4 1694 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [1,0,0,0,0,0|3,0,0]=4 1695 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [1,0,0,0,0,0|3,0,0]=4 1696 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [1,0,0,0,0,0|3,0,0]=4 1697 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [1,0,0,0,0,0|2,0,1]=4 1698 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [1,0,0,0,0,0|2,0,1]=4 1699 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,0,0,0,0,0|2,0,0]=3 1700 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,0,0,0,0,0|2,0,0]=3 1701 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [1,0,0,0,0,0|3,0,0]=4 1702 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [1,0,0,0,0,0|3,0,0]=4 1703 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [1,0,0,0,0,0|2,0,1]=4 1704 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [1,0,0,0,0,0|3,0,0]=4 1705 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [1,0,0,0,0,0|2,0,0]=3 1706 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [1,0,0,0,0,0|3,0,0]=4 1707 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [1,0,0,0,0,0|3,0,0]=4 1708 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [1,0,0,0,0,0|3,0,0]=4 1709 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [1,0,0,0,0,0|3,0,0]=4 1710 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [1,0,0,0,0,0|3,0,0]=4 1711 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [1,0,0,0,0,0|3,0,0]=4 1712 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [1,0,0,0,0,0|3,0,0]=4 1713 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [1,0,0,0,0,0|2,0,0]=3 1714 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [1,0,0,0,0,0|2,0,0]=3 1715 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [1,0,0,0,0,0|2,0,0]=3 1716 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [1,0,0,0,0,0|2,0,0]=3 1717 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [1,0,0,0,0,0|3,0,0]=4 1718 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [1,0,0,0,0,0|3,0,0]=4 1719 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [1,0,0,0,0,0|3,0,0]=4 1720 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [1,0,0,0,0,0|3,0,0]=4 1721 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [1,0,0,0,0,0|3,0,0]=4 1722 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [1,0,0,0,0,0|3,0,0]=4 1723 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [1,0,0,0,0,0|3,0,0]=4 1724 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [1,0,0,0,0,0|3,0,0]=4 1725 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [1,0,0,0,0,0|2,0,0]=3 1726 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [1,0,0,0,0,0|2,0,0]=3 1727 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [1,0,0,0,0,0|3,0,0]=4 1728 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [1,0,0,0,0,0|3,0,0]=4 1729 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [1,0,0,0,0,0|3,0,0]=4 1730 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [1,0,0,0,0,0|3,0,0]=4 1731 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [1,0,0,0,0,0|3,0,0]=4 1732 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [1,0,0,0,0,0|3,0,0]=4 1733 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [1,0,0,0,0,0|3,0,0]=4 1734 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [1,0,0,0,0,0|3,0,0]=4 1735 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [1,0,0,0,0,0|3,0,0]=4 1736 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [1,0,0,0,0,0|3,0,0]=4 1737 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [1,0,0,0,0,0|3,0,0]=4 1738 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [1,0,0,0,0,0|2,0,0]=3 1739 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [1,0,0,0,0,0|2,0,0]=3 1740 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [1,0,0,0,0,0|3,0,0]=4 1741 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [1,0,0,0,0,0|3,0,0]=4 1742 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [1,0,0,0,0,0|3,0,0]=4 1743 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [1,0,0,0,0,0|3,0,0]=4 1744 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [1,0,0,0,0,0|2,0,1]=4 1745 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [1,0,0,0,0,0|3,0,0]=4 1746 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [1,0,0,0,0,0|3,0,0]=4 1747 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [1,0,0,0,0,0|3,0,0]=4 1748 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [1,0,0,0,0,0|3,0,0]=4 1749 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [1,0,0,0,0,0|3,0,0]=4 1750 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [1,0,0,0,0,0|3,0,0]=4 1751 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [1,0,0,0,0,0|3,0,0]=4 1752 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [1,0,0,0,0,0|3,0,0]=4 1753 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [1,0,0,0,0,0|3,0,0]=4 1754 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [1,0,0,0,0,0|3,0,0]=4 1755 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [1,0,0,0,0,0|3,0,0]=4 1756 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [1,0,0,0,0,0|3,0,0]=4 1757 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [1,0,0,0,0,0|3,0,0]=4 1758 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [1,0,0,0,0,0|3,0,0]=4 1759 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [1,0,0,0,0,0|3,0,0]=4 1760 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [1,0,0,0,0,0|3,0,0]=4 1761 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [1,0,0,0,0,0|3,0,0]=4 1762 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [1,0,0,0,0,0|3,0,0]=4 1763 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,0,0,0,0,0|3,0,0]=4 1764 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,0,0,0,0,0|3,0,0]=4 1765 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [1,0,0,0,0,0|3,0,0]=4 1766 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 1767 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [1,0,0,0,0,0|3,0,0]=4 1768 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [1,0,0,0,0,0|3,0,0]=4 1769 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 1770 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 1771 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [1,0,0,0,0,0|3,0,0]=4 1772 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [1,0,0,0,0,0|3,0,0]=4 1773 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [1,0,0,0,0,0|3,0,0]=4 1774 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [1,0,0,0,0,0|3,0,0]=4 1775 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [1,0,0,0,0,0|3,0,0]=4 1776 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [1,0,0,0,0,0|3,0,0]=4 1777 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [1,0,0,0,0,0|3,0,0]=4 1778 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [1,0,0,0,0,0|3,0,0]=4 1779 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,0,0,0,0,0|3,0,0]=4 1780 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,0,0,0,0,0|3,0,0]=4 1781 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [1,0,0,0,0,0|3,0,0]=4 1782 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [1,0,0,0,0,0|3,0,0]=4 1783 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [1,0,0,0,0,0|3,0,0]=4 1784 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [1,0,0,0,0,0|3,0,0]=4 1785 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [1,0,0,0,0,0|3,0,0]=4 1786 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [1,0,0,0,0,0|3,0,0]=4 1787 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [1,0,0,0,0,0|3,0,0]=4 1788 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [1,0,0,0,0,0|3,0,0]=4 1789 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [1,0,0,0,0,0|3,0,0]=4 1790 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [1,0,0,0,0,0|3,0,0]=4 1791 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [1,0,0,0,0,0|3,0,0]=4 1792 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [1,0,0,0,0,0|3,0,0]=4 1793 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [1,0,0,0,0,0|3,0,0]=4 1794 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [1,0,0,0,0,0|3,0,0]=4 1795 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [1,0,0,0,0,0|3,0,0]=4 1796 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [1,0,0,0,0,0|2,0,1]=4 1797 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [1,0,0,0,0,0|3,0,0]=4 1798 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [1,0,0,0,0,0|3,0,0]=4 1799 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,0,0,0,0,0|2,0,0]=3 1800 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,0,0,0,0,0|2,0,0]=3 1801 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [1,0,0,0,0,0|3,0,0]=4 1802 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [1,0,0,0,0,0|3,0,0]=4 1803 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [1,0,0,0,0,0|3,0,0]=4 1804 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [1,0,0,0,0,0|3,0,0]=4 1805 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [1,0,0,0,0,0|3,0,0]=4 1806 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [1,0,0,0,0,0|2,0,1]=4 1807 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [1,0,0,0,0,0|2,0,1]=4 1808 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [1,0,0,0,0,0|2,0,1]=4 1809 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [1,0,0,0,0,0|2,0,1]=4 1810 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [1,0,0,0,0,0|2,0,1]=4 1811 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [1,0,0,0,0,0|2,0,1]=4 1812 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [1,0,0,0,0,0|2,0,1]=4 1813 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [1,0,0,0,0,0|2,0,1]=4 1814 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [1,0,0,0,0,0|2,0,1]=4 1815 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [1,0,0,0,0,0|2,0,1]=4 1816 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,0,0,0,0,0|1,0,0]=2 1817 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [1,0,0,0,0,0|3,0,0]=4 1818 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [1,0,0,0,0,0|3,0,0]=4 1819 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [1,0,0,0,0,0|2,0,1]=4 1820 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [1,0,0,0,0,0|2,0,1]=4 1821 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [1,0,0,0,0,0|0,0,3]=4 1822 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [1,0,0,0,0,0|0,0,3]=4 1823 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [1,0,0,0,0,0|0,0,3]=4 1824 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [1,0,0,0,0,0|0,0,3]=4 1825 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [1,0,0,0,0,0|0,0,3]=4 1826 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,0,0,0,0,0|2,0,0]=3 1827 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [1,0,0,0,0,0|3,0,0]=4 1828 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [1,0,0,0,0,0|3,0,0]=4 1829 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [1,0,0,0,0,0|3,0,0]=4 1830 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [1,0,0,0,0,0|3,0,0]=4 1831 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [1,0,0,0,0,0|3,0,0]=4 1832 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [1,0,0,0,0,0|3,0,0]=4 1833 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [1,0,0,0,0,0|3,0,0]=4 1834 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [1,0,0,0,0,0|3,0,0]=4 1835 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [1,0,0,0,0,0|3,0,0]=4 1836 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [1,0,0,0,0,0|3,0,0]=4 1837 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|2,0,0]=3 1838 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|2,0,0]=3 1839 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|2,0,0]=3 1840 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [1,0,0,0,0,0|3,0,0]=4 1841 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [1,0,0,0,0,0|3,0,0]=4 1842 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [1,0,0,0,0,0|3,0,0]=4 1843 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [1,0,0,0,0,0|3,0,0]=4 1844 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [1,0,0,0,0,0|3,0,0]=4 1845 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [1,0,0,0,0,0|3,0,0]=4 1846 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,0,0,0,0,0|3,0,0]=4 1847 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [1,0,0,0,0,0|3,0,0]=4 1848 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [1,0,0,0,0,0|3,0,0]=4 1849 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [1,0,0,0,0,0|3,0,0]=4 1850 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [1,0,0,0,0,0|3,0,0]=4 1851 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [1,0,0,0,0,0|3,0,0]=4 1852 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [1,0,0,0,0,0|3,0,0]=4 1853 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [1,0,0,0,0,0|3,0,0]=4 1854 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [1,0,0,0,0,0|3,0,0]=4 1855 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [1,0,0,0,0,0|3,0,0]=4 1856 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [1,0,0,0,0,0|3,0,0]=4 1857 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [1,0,0,0,0,0|3,0,0]=4 1858 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [1,0,0,0,0,0|3,0,0]=4 1859 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [1,0,0,0,0,0|3,0,0]=4 1860 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [1,0,0,0,0,0|3,0,0]=4 1861 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [1,0,0,0,0,0|3,0,0]=4 1862 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,0,0,0,0,0|2,0,0]=3 1863 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,0,0,0,0,0|2,0,0]=3 1864 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [1,0,0,0,0,0|3,0,0]=4 1865 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [1,0,0,0,0,0|3,0,0]=4 1866 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [1,0,0,0,0,0|3,0,0]=4 1867 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [1,0,0,0,0,0|3,0,0]=4 1868 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [1,0,0,0,0,0|3,0,0]=4 1869 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [1,0,0,0,0,0|3,0,0]=4 1870 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [1,0,0,0,0,0|3,0,0]=4 1871 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [1,0,0,0,0,0|3,0,0]=4 1872 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [1,0,0,0,0,0|3,0,0]=4 1873 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [1,0,0,0,0,0|3,0,0]=4 1874 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [1,0,0,0,0,0|3,0,0]=4 1875 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [1,0,0,0,0,0|3,0,0]=4 1876 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,0,0,0,0|0,0,3]=4 1877 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,0,0,0,0|0,0,3]=4 1878 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,0,0,0,0|0,0,3]=4 1879 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,0,0,0,0|0,0,3]=4 1880 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,0,0,0,0|0,0,3]=4 1881 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [1,0,0,0,0,0|2,0,1]=4 1882 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [1,0,0,0,0,0|2,0,1]=4 1883 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [1,0,0,0,0,0|2,0,1]=4 1884 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [1,0,0,0,0,0|2,0,1]=4 1885 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,0,0,0,0,0|2,0,1]=4 1886 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,0,0,0,0,0|2,0,1]=4 1887 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,0,0,0,0,0|2,0,1]=4 1888 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [1,0,0,0,0,0|2,0,1]=4 1889 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [1,0,0,0,0,0|2,0,1]=4 1890 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,0,0,0,0,0|2,0,1]=4 1891 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,0,0,0,0,0|2,0,1]=4 1892 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,0,0,0,0,0|2,0,1]=4 1893 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,0,0,0,0,0|0,0,3]=4 1894 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,0,0,0,0,0|0,0,3]=4 1895 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,0,0,0,0,0|0,0,3]=4 1896 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,0,0,0,0,0|0,0,3]=4 1897 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,0,0,0,0,0|2,0,1]=4 1898 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,0,0,0,0,0|2,0,1]=4 1899 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,0,0,0,0,0|2,0,1]=4 1900 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,0,0,0,0,0|2,0,1]=4 1901 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,0,0,0,0,0|2,0,1]=4 1902 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,0,0,0,0,0|2,0,1]=4 1903 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,0,0,0,0,0|2,0,1]=4 1904 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,0,0,0,0,0|2,0,1]=4 1905 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,0,0,0,0,0|2,0,1]=4 1906 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,0,0,0,0,0|2,0,1]=4 1907 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,0,0,0,0,0|2,0,1]=4 1908 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,0,0,0,0,0|2,0,1]=4 1909 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,0,0,0,0,0|2,0,1]=4 1910 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,0,0,0,0,0|2,0,1]=4 1911 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,0,0,0,0,0|2,0,1]=4 1912 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,0,0,0,0,0|2,0,1]=4 1913 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,0,0,0,0,0|2,0,0]=3 1914 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [1,0,0,0,0,0|3,0,0]=4 1915 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [1,0,0,0,0,0|3,0,0]=4 1916 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [1,0,0,0,0,0|3,0,0]=4 1917 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [1,0,0,0,0,0|3,0,0]=4 1918 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,0,0,0,0,0|2,0,0]=3 1919 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [1,0,0,0,0,0|3,0,0]=4 1920 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [1,0,0,0,0,0|3,0,0]=4 1921 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [1,0,0,0,0,0|3,0,0]=4 1922 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [1,0,0,0,0,0|3,0,0]=4 1923 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [1,0,0,0,0,0|3,0,0]=4 1924 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [1,0,0,0,0,0|3,0,0]=4 1925 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [1,0,0,0,0,0|3,0,0]=4 1926 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [1,0,0,0,0,0|3,0,0]=4 1927 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [1,0,0,0,0,0|3,0,0]=4 1928 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|2,0,0]=3 1929 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|2,0,0]=3 1930 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [1,0,0,0,0,0|3,0,0]=4 1931 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [1,0,0,0,0,0|3,0,0]=4 1932 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [1,0,0,0,0,0|3,0,0]=4 1933 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [1,0,0,0,0,0|3,0,0]=4 1934 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [1,0,0,0,0,0|3,0,0]=4 1935 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [1,0,0,0,0,0|3,0,0]=4 1936 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [1,0,0,0,0,0|3,0,0]=4 1937 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [1,0,0,0,0,0|3,0,0]=4 1938 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [1,0,0,0,0,0|3,0,0]=4 1939 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [1,0,0,0,0,0|3,0,0]=4 1940 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [1,0,0,0,0,0|3,0,0]=4 1941 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [1,0,0,0,0,0|3,0,0]=4 1942 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [1,0,0,0,0,0|3,0,0]=4 1943 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [1,0,0,0,0,0|3,0,0]=4 1944 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [1,0,0,0,0,0|3,0,0]=4 1945 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [1,0,0,0,0,0|3,0,0]=4 1946 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,0,0,0,0,0|2,0,0]=3 1947 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,0,0,0,0,0|2,0,0]=3 1948 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [1,0,0,0,0,0|3,0,0]=4 1949 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [1,0,0,0,0,0|3,0,0]=4 1950 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [1,0,0,0,0,0|3,0,0]=4 1951 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [1,0,0,0,0,0|3,0,0]=4 1952 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [1,0,0,0,0,0|3,0,0]=4 1953 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [1,0,0,0,0,0|3,0,0]=4 1954 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [1,0,0,0,0,0|3,0,0]=4 1955 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [1,0,0,0,0,0|3,0,0]=4 1956 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [1,0,0,0,0,0|3,0,0]=4 1957 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [1,0,0,0,0,0|3,0,0]=4 1958 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [1,0,0,0,0,0|3,0,0]=4 1959 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [1,0,0,0,0,0|3,0,0]=4 1960 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [1,0,0,0,0,0|0,0,3]=4 1961 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,0,0,0,0,0|0,0,3]=4 1962 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,0,0,0,0,0|0,0,3]=4 1963 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,0,0,0,0,0|0,0,3]=4 1964 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,0,0,0,0,0|0,0,3]=4 1965 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [1,0,0,0,0,0|0,0,3]=4 1966 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [1,0,0,0,0,0|0,0,3]=4 1967 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [1,0,0,0,0,0|0,0,3]=4 1968 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [1,0,0,0,0,0|0,0,3]=4 1969 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,0,0,0,0,0|0,0,3]=4 1970 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,0,0,0,0,0|0,0,3]=4 1971 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,0,0,0,0,0|0,0,3]=4 1972 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,0,0,0,0,0|0,0,3]=4 1973 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [1,0,0,0,0,0|0,0,3]=4 1974 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [1,0,0,0,0,0|0,0,3]=4 1975 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [1,0,0,0,0,0|0,0,3]=4 1976 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [1,0,0,0,0,0|0,0,3]=4 1977 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,0,0,0,0|1,0,1]=3 1978 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,0,0,0,0|1,0,1]=3 1979 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,0,0,0,0|1,0,1]=3 1980 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,0,0,0,0|1,0,1]=3 1981 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,0,0,0,0|1,0,1]=3 1982 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,0,0,0,0|1,0,1]=3 1983 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,0,0,0,0|1,0,1]=3 1984 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|0,0,1]=2 1985 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|0,0,1]=2 1986 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|0,0,1]=2 1987 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|0,0,1]=2 1988 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|0,0,1]=2 1989 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,0,0,0,0|0,1,1]=3 1990 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,0,0,0,0|0,1,1]=3 1991 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,0,0,0,0,0|2,0,0]=3 1992 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,0,0,0,0,0|2,0,0]=3 1993 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,0,0,0,0,0|2,0,0]=3 1994 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,0,0,0,0,0|3,0,0]=4 1995 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,0,0,0,0,0|2,0,0]=3 1996 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,0,0,0,0,0|2,0,0]=3 1997 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,0,0,0,0,0|2,0,0]=3 1998 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,0,0,0,0,0|3,0,0]=4 1999 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,0,0,0,0,0|3,0,0]=4 2000 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,0,0,0,0,0|2,0,0]=3 2001 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,0,0,0,0,0|2,0,0]=3 2002 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,0,0,0,0,0|3,0,0]=4 2003 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,0,0,0,0,0|3,0,0]=4 2004 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,0,0,0,0,0|2,0,1]=4 2005 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,0,0,0,0,0|1,0,1]=3 2006 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,0,0,0,0,0|1,1,1]=4 2007 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,0,0,0,0|2,0,1]=4 2008 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,0,0,0,0|2,0,1]=4 2009 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,0,0,0,0|2,0,1]=4 2010 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,0,0,0,0,0|1,1,1]=4 2011 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,0,0,0,0,0|2,0,1]=4 2012 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,0,0,0,0,0|2,0,1]=4 2013 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,0,0,0,0,0|1,0,1]=3 2014 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,0,0,0,0,0|1,0,1]=3 2015 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,0,0,0,0,0|1,1,1]=4 2016 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,0,0,0,0,0|1,1,1]=4 2017 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,0,0,0,0,0|2,0,1]=4 2018 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,0,0,0,0,0|2,0,1]=4 2019 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,0,0,0,0,0|2,0,1]=4 2020 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,0,0,0,0,0|1,0,1]=3 2021 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,0,0,0,0,0|1,0,1]=3 2022 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,0,0,0,0,0|1,1,1]=4 2023 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,0,0,0,0,0|1,1,1]=4 2024 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,0,0,0,0|2,0,1]=4 2025 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,0,0,0,0|2,0,1]=4 2026 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,0,0,0,0|2,0,1]=4 2027 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,0,0,0,0|2,0,1]=4 2028 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,0,0,0,0,0|1,0,1]=3 2029 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,0,0,0,0,0|1,0,1]=3 2030 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,0,0,0,0,0|1,0,1]=3 2031 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,0,0,0,0,0|1,0,1]=3 2032 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,0,0,0,0,0|1,0,1]=3 2033 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,0,0,0,0,0|2,0,1]=4 2034 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,0,0,0,0,0|1,0,1]=3 2035 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,0,0,0,0,0|1,0,1]=3 2036 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,0,0,0,0,0|1,1,1]=4 2037 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,0,0,0,0,0|1,1,1]=4 2038 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,0,0,0,0,0|1,1,1]=4 2039 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,0,0,0,0,0|1,1,1]=4 2040 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,0,0,0,0,0|2,0,1]=4 2041 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,0,0,0,0,0|2,0,1]=4 2042 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,0,0,0,0,0|1,0,1]=3 2043 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,0,0,0,0,0|1,0,1]=3 2044 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,0,0,0,0,0|1,1,1]=4 2045 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,0,0,0,0,0|1,1,1]=4 2046 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,0,0,0,0,0|3,0,0]=4 2047 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,0,0,0,0,0|3,0,0]=4 2048 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,0,0,0,0,0|2,0,1]=4 2049 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,0,0,0,0,0|1,0,1]=3 2050 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,0,0,0,0,0|1,0,1]=3 2051 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,0,0,0,0,0|1,1,1]=4 2052 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,0,0,0,0,0|3,0,0]=4 2053 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,0,0,0,0,0|3,0,0]=4 2054 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,0,0,0,0,0|3,0,0]=4 2055 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,0,0,0,0,0|3,0,0]=4 2056 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,0,0,0,0,0|3,0,0]=4 2057 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,0,0,0,0,0|3,0,0]=4 2058 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,0,0,0,0,0|2,0,1]=4 2059 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,0,0,0,0,0|2,0,1]=4 2060 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,0,0,0,0,0|2,0,1]=4 2061 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,0,0,0,0,0|1,0,1]=3 2062 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,0,0,0,0,0|1,0,1]=3 2063 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,0,0,0,0,0|1,0,1]=3 2064 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,0,0,0,0,0|1,1,1]=4 2065 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,0,0,0,0,0|1,1,1]=4 2066 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,0,0,0,0,0|3,0,0]=4 2067 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,0,0,0,0,0|3,0,0]=4 2068 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,0,0,0,0,0|3,0,0]=4 2069 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,0,0,0,0,0|3,0,0]=4 2070 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,0,0,0,0,0|3,0,0]=4 2071 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,0,0,0,0,0|3,0,0]=4 2072 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,0,0,0,0,0|3,0,0]=4 2073 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,0,0,0,0,0|3,0,0]=4 2074 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,0,0,0,0,0|3,0,0]=4 2075 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,0,0,0,0,0|3,0,0]=4 2076 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,0,0,0,0,0|2,0,1]=4 2077 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,0,0,0,0,0|1,0,1]=3 2078 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,0,0,0,0,0|1,0,1]=3 2079 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,0,0,0,0,0|3,0,0]=4 2080 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,0,0,0,0,0|3,0,0]=4 2081 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,0,0,0,0,0|3,0,0]=4 2082 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,0,0,0,0,0|3,0,0]=4 2083 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,0,0,0,0,0|1,0,1]=3 2084 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,0,0,0,0,0|1,0,1]=3 2085 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,0,0,0,0,0|1,0,1]=3 2086 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,0,0,0,0,0|1,0,1]=3 2087 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,0,0,0,0,0|3,0,0]=4 2088 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,0,0,0,0,0|3,0,0]=4 2089 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,0,0,0,0,0|3,0,0]=4 2090 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,0,0,0,0,0|3,0,0]=4 2091 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [1,0,0,0,0,0|2,0,1]=4 2092 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,0,0,0,0,0|1,0,1]=3 2093 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,0,0,0,0,0|1,0,1]=3 2094 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,0,0,0,0,0|1,0,1]=3 2095 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,0,0,0,0,0|1,0,1]=3 2096 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,0,0,0,0,0|1,0,1]=3 2097 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,0,0,0,0,0|1,0,1]=3 2098 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,0,0,0,0,0|1,0,1]=3 2099 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,0,0,0,0,0|1,1,1]=4 2100 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,0,0,0,0,0|1,1,1]=4 2101 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,0,0,0,0,0|3,0,0]=4 2102 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,0,0,0,0,0|3,0,0]=4 2103 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,0,0,0,0,0|3,0,0]=4 2104 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,0,0,0,0,0|3,0,0]=4 2105 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,0,0,0,0,0|3,0,0]=4 2106 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,0,0,0,0,0|3,0,0]=4 2107 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,0,0,0,0,0|3,0,0]=4 2108 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,0,0,0,0,0|3,0,0]=4 2109 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,0,0,0,0,0|3,0,0]=4 2110 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,0,0,0,0,0|3,0,0]=4 2111 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [1,0,0,0,0,0|2,0,1]=4 2112 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [1,0,0,0,0,0|2,0,1]=4 2113 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [1,0,0,0,0,0|2,0,1]=4 2114 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [1,0,0,0,0,0|2,0,1]=4 2115 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [1,0,0,0,0,0|2,0,1]=4 2116 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [1,0,0,0,0,0|2,0,1]=4 2117 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,0,0,0,0,0|1,0,1]=3 2118 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,0,0,0,0,0|1,0,1]=3 2119 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,0,0,0,0,0|3,0,0]=4 2120 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,0,0,0,0,0|3,0,0]=4 2121 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [1,0,0,0,0,0|2,0,1]=4 2122 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [1,0,0,0,0,0|2,0,1]=4 2123 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [1,0,0,0,0,0|2,0,1]=4 2124 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,0,0,0,0,0|1,0,1]=3 2125 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,0,0,0,0,0|1,0,1]=3 2126 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [1,0,0,0,0,0|2,0,1]=4 2127 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [1,0,0,0,0,0|2,0,1]=4 2128 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,0,0,0,0,0|2,0,1]=4 2129 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [1,0,0,0,0,0|2,0,1]=4 2130 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [1,0,0,0,0,0|2,0,1]=4 2131 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [1,0,0,0,0,0|2,0,1]=4 2132 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [1,0,0,0,0,0|2,0,1]=4 2133 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [1,0,0,0,0,0|2,0,1]=4 2134 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [1,0,0,0,0,0|2,0,1]=4 2135 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [1,0,0,0,0,0|2,0,1]=4 2136 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [1,0,0,0,0,0|2,0,1]=4 2137 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [1,0,0,0,0,0|2,0,1]=4 2138 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [1,0,0,0,0,0|2,0,1]=4 2139 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [1,0,0,0,0,0|2,0,1]=4 2140 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [1,0,0,0,0,0|2,0,1]=4 2141 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [1,0,0,0,0,0|2,0,1]=4 2142 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [1,0,0,0,0,0|2,0,1]=4 2143 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [1,0,0,0,0,0|2,0,1]=4 2144 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [1,0,0,0,0,0|2,0,1]=4 2145 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [1,0,0,0,0,0|2,0,1]=4 2146 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,0,0,0,0,0|3,0,0]=4 2147 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,0,0,0,0,0|3,0,0]=4 2148 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,0,0,0,0,0|3,0,0]=4 2149 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,0,0,0,0,0|1,0,1]=3 2150 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [1,0,0,0,0,0|2,0,1]=4 2151 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [1,0,0,0,0,0|2,0,1]=4 2152 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [1,0,0,0,0,0|2,0,1]=4 2153 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,0,0,0,0,0|3,0,0]=4 2154 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,0,0,0,0,0|3,0,0]=4 2155 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,0,0,0,0,0|3,0,0]=4 2156 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,0,0,0,0,0|3,0,0]=4 2157 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,0,0,0,0,0|1,0,1]=3 2158 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,0,0,0,0,0|1,0,1]=3 2159 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,0,0,0,0,0|1,0,1]=3 2160 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [1,0,0,0,0,0|2,0,1]=4 2161 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [1,0,0,0,0,0|2,0,1]=4 2162 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [1,0,0,0,0,0|2,0,1]=4 2163 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,0,0,0,0,0|2,0,1]=4 2164 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,0,0,0,0,0|2,0,1]=4 2165 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,0,0,0,0,0|2,0,1]=4 2166 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,0,0,0,0,0|2,0,1]=4 2167 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [1,0,0,0,0,0|2,0,1]=4 2168 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [1,0,0,0,0,0|2,0,1]=4 2169 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [1,0,0,0,0,0|2,0,1]=4 2170 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [1,0,0,0,0,0|2,0,1]=4 2171 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [1,0,0,0,0,0|2,0,1]=4 2172 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [1,0,0,0,0,0|2,0,1]=4 2173 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [1,0,0,0,0,0|2,0,1]=4 2174 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [1,0,0,0,0,0|2,0,1]=4 2175 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [1,0,0,0,0,0|2,0,1]=4 2176 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [1,0,0,0,0,0|2,0,1]=4 2177 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [1,0,0,0,0,0|2,0,1]=4 2178 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [1,0,0,0,0,0|2,0,1]=4 2179 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,0,0,0,0,0|3,0,0]=4 2180 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,0,0,0,0,0|3,0,0]=4 2181 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,0,0,0,0,0|1,0,1]=3 2182 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,0,0,0,0,0|1,0,1]=3 2183 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [1,0,0,0,0,0|2,0,1]=4 2184 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [1,0,0,0,0,0|2,0,1]=4 2185 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [1,0,0,0,0,0|2,0,1]=4 2186 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [1,0,0,0,0,0|2,0,1]=4 2187 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [1,0,0,0,0,0|2,0,1]=4 2188 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [1,0,0,0,0,0|2,0,1]=4 2189 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [1,0,0,0,0,0|2,0,1]=4 2190 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [1,0,0,0,0,0|2,0,1]=4 2191 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [1,0,0,0,0,0|2,0,1]=4 2192 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [1,0,0,0,0,0|2,0,1]=4 2193 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [1,0,0,0,0,0|2,0,1]=4 2194 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,0,0,0,0,0|2,0,1]=4 2195 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,0,0,0,0,0|2,0,1]=4 2196 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,0,0,0,0,0|2,0,1]=4 2197 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,0,0,0,0,0|2,0,1]=4 2198 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,0,0,0,0,0|2,0,1]=4 2199 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [1,0,0,0,0,0|2,0,1]=4 2200 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,0,0,0,0,0|1,0,1]=3 2201 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,0,0,0,0,0|1,0,1]=3 2202 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,0,0,0,0,0|1,0,1]=3 2203 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,0,0,0,0,0|1,0,1]=3 2204 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,0,0,0,0,0|1,0,1]=3 2205 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,0,0,0,0,0|1,0,1]=3 2206 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,0,0,0,0,0|2,0,1]=4 2207 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,0,0,0,0,0|2,0,1]=4 2208 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [1,0,0,0,0,0|2,0,1]=4 2209 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [1,0,0,0,0,0|2,0,1]=4 2210 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [1,0,0,0,0,0|2,0,1]=4 2211 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [1,0,0,0,0,0|2,0,1]=4 2212 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [1,0,0,0,0,0|2,0,1]=4 2213 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,0,0,0,0,0|2,0,1]=4 2214 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,0,0,0,0,0|2,0,1]=4 2215 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [1,0,0,0,0,0|2,0,1]=4 2216 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [1,0,0,0,0,0|2,0,1]=4 2217 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [1,0,0,0,0,0|2,0,1]=4 2218 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [1,0,0,0,0,0|2,0,1]=4 2219 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [1,0,0,0,0,0|2,0,1]=4 2220 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [1,0,0,0,0,0|2,0,1]=4 2221 B10R0.71 COCCCCNCCSC 2230a_100020590264_100000730899 [1,0,0,0,0,0|2,0,1]=4 2222 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [1,0,0,0,0,0|2,0,1]=4 2223 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [1,0,0,0,0,0|2,0,1]=4 2224 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [1,0,0,0,0,0|2,0,1]=4 2225 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [1,0,0,0,0,0|2,0,1]=4 2226 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [1,0,0,0,0,0|2,0,1]=4 2227 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,0,0,0,0,0|2,0,1]=4 2228 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [1,0,0,0,0,0|2,0,1]=4 2229 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [1,0,0,0,0,0|2,0,1]=4 2230 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [1,0,0,0,0,0|2,0,1]=4 2231 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [1,0,0,0,0,0|2,0,1]=4 2232 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [1,0,0,0,0,0|2,0,1]=4 2233 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [1,0,0,0,0,0|2,0,1]=4 2234 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [1,0,0,0,0,0|2,0,1]=4 2235 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [1,0,0,0,0,0|2,0,1]=4 2236 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [1,0,0,0,0,0|2,0,1]=4 2237 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [1,0,0,0,0,0|2,0,1]=4 2238 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [1,0,0,0,0,0|2,0,1]=4 2239 B10R0.71 COCCCCSCCSC 62a_100000212216_100000730899 [1,0,0,0,0,0|2,0,1]=4 2240 B10R0.71 COCCCCSCCSC 62a_100000730899_100000751147 [1,0,0,0,0,0|2,0,1]=4 2241 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [1,0,0,0,0,0|2,0,1]=4 2242 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [1,0,0,0,0,0|2,0,1]=4 2243 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [1,0,0,0,0,0|2,0,1]=4 2244 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [1,0,0,0,0,0|2,0,1]=4 2245 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [1,0,0,0,0,0|2,0,1]=4 2246 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [1,0,0,0,0,0|2,0,1]=4 2247 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [1,0,0,0,0,0|2,0,1]=4 2248 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [1,0,0,0,0,0|2,0,1]=4 2249 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [1,0,0,0,0,0|2,0,1]=4 2250 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [1,0,0,0,0,0|2,0,1]=4 2251 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [1,0,0,0,0,0|2,0,1]=4 2252 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [1,0,0,0,0,0|2,0,1]=4 2253 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [1,0,0,0,0,0|2,0,1]=4 2254 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [1,0,0,0,0,0|2,0,1]=4 2255 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,0,0,0,0,0|2,0,1]=4 2256 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [1,0,0,0,0,0|2,0,1]=4 2257 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [1,0,0,0,0,0|2,0,1]=4 2258 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [1,0,0,0,0,0|2,0,1]=4 2259 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [1,0,0,0,0,0|2,0,1]=4 2260 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [1,0,0,0,0,0|2,0,1]=4 2261 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [1,0,0,0,0,0|2,0,1]=4 2262 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [1,0,0,0,0,0|2,0,1]=4 2263 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [1,0,0,0,0,0|2,0,1]=4 2264 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [1,0,0,0,0,0|2,0,1]=4 2265 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [1,0,0,0,0,0|2,0,1]=4 2266 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [1,0,0,0,0,0|2,0,1]=4 2267 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [1,0,0,0,0,0|2,0,1]=4 2268 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [1,0,0,0,0,0|2,0,1]=4 2269 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [1,0,0,0,0,0|2,0,1]=4 2270 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [1,0,0,0,0,0|2,0,1]=4 2271 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [1,0,0,0,0,0|2,0,1]=4 2272 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [1,0,0,0,0,0|2,0,1]=4 2273 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [1,0,0,0,0,0|2,0,1]=4 2274 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [1,0,0,0,0,0|2,0,1]=4 2275 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [1,0,0,0,0,0|2,0,1]=4 2276 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [1,0,0,0,0,0|2,0,1]=4 2277 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [1,0,0,0,0,0|2,0,1]=4 2278 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [1,0,0,0,0,0|2,0,1]=4 2279 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [1,0,0,0,0,0|2,0,1]=4 2280 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,0,0,0,0,0|2,0,1]=4 2281 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [1,0,0,0,0,0|2,0,1]=4 2282 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [1,0,0,0,0,0|2,0,1]=4 2283 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [1,0,0,0,0,0|2,0,1]=4 2284 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [1,0,0,0,0,0|2,0,1]=4 2285 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [1,0,0,0,0,0|2,0,1]=4 2286 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [1,0,0,0,0,0|2,0,1]=4 2287 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,0,0,0,0,0|2,0,1]=4 2288 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [1,0,0,0,0,0|2,0,1]=4 2289 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [1,0,0,0,0,0|2,0,1]=4 2290 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,0,0,0,0,0|2,0,1]=4 2291 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,0,0,0,0,0|2,0,1]=4 2292 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,0,0,0,0,0|1,1,1]=4 2293 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,0,0,0,0,0|1,1,1]=4 2294 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,0,0,0,0,0|2,0,1]=4 2295 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,0,0,0,0,0|2,0,1]=4 2296 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,0,0,0,0,0|1,0,1]=3 2297 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,0,0,0,0,0|1,0,1]=3 2298 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,0,0,0,0,0|1,0,1]=3 2299 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,0,0,0,0,0|1,0,1]=3 2300 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,0,0,0,0,0|1,0,1]=3 2301 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [1,0,0,0,0,0|2,0,1]=4 2302 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,0,0,0,0,0|1,1,1]=4 2303 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,0,0,0,0,0|1,1,1]=4 2304 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [1,0,0,0,0,0|1,0,1]=3 2305 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [1,0,0,0,0,0|2,0,1]=4 2306 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [1,0,0,0,0,0|2,0,1]=4 2307 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [1,0,0,0,0,0|2,0,1]=4 2308 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [1,0,0,0,0,0|1,0,2]=4 2309 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [1,0,0,0,0,0|1,0,2]=4 2310 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [1,0,0,0,0,0|1,0,2]=4 2311 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [1,0,0,0,0,0|1,0,2]=4 2312 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [1,0,0,0,0,0|1,0,2]=4 2313 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [1,0,0,0,0,0|1,0,2]=4 2314 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [1,0,0,0,0,0|1,0,2]=4 2315 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [1,0,0,0,0,0|1,0,2]=4 2316 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [1,0,0,0,0,0|1,0,2]=4 2317 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [1,0,0,0,0,0|1,0,2]=4 2318 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [1,0,0,0,0,0|1,0,2]=4 2319 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [1,0,0,0,0,0|1,0,2]=4 2320 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [1,0,0,0,0,0|1,0,2]=4 2321 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [1,0,0,0,0,0|1,0,2]=4 2322 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [1,0,0,0,0,0|1,0,2]=4 2323 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [1,0,0,0,0,0|1,0,2]=4 2324 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [1,0,0,0,0,0|1,0,2]=4 2325 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [1,0,0,0,0,0|1,0,2]=4 2326 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [1,0,0,0,0,0|1,0,2]=4 2327 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [1,0,0,0,0,0|1,0,2]=4 2328 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [1,0,0,0,0,0|1,0,2]=4 2329 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [1,0,0,0,0,0|1,0,2]=4 2330 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,0,0,0,0,0|1,0,1]=3 2331 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [1,0,0,0,0,0|2,0,1]=4 2332 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [1,0,0,0,0,0|2,0,1]=4 2333 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [1,0,0,0,0,0|2,0,1]=4 2334 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [1,0,0,0,0,0|2,0,1]=4 2335 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [1,0,0,0,0,0|2,0,1]=4 2336 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [1,0,0,0,0,0|1,0,2]=4 2337 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [1,0,0,0,0,0|1,0,2]=4 2338 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [1,0,0,0,0,0|1,0,2]=4 2339 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [1,0,0,0,0,0|1,0,2]=4 2340 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [1,0,0,0,0,0|1,0,2]=4 2341 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [1,0,0,0,0,0|1,0,2]=4 2342 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [1,0,0,0,0,0|1,0,2]=4 2343 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [1,0,0,0,0,0|1,0,2]=4 2344 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [1,0,0,0,0,0|1,0,2]=4 2345 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [1,0,0,0,0,0|1,0,2]=4 2346 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [1,0,0,0,0,0|1,0,2]=4 2347 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [1,0,0,0,0,0|1,0,2]=4 2348 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [1,0,0,0,0,0|1,0,2]=4 2349 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [1,0,0,0,0,0|1,0,2]=4 2350 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [1,0,0,0,0,0|1,0,2]=4 2351 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [1,0,0,0,0,0|1,0,2]=4 2352 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [1,0,0,0,0,0|1,0,2]=4 2353 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [1,0,0,0,0,0|1,0,2]=4 2354 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [1,0,0,0,0,0|1,0,2]=4 2355 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [1,0,0,0,0,0|1,0,2]=4 2356 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [1,0,0,0,0,0|1,0,2]=4 2357 B10R0.74 CC#CCNCCC(=O)OC 2230a_100000685387_100000204255 [1,0,0,0,0,0|1,0,2]=4 2358 B10R0.74 CC#CCNCCC(=O)OC 34a_100000685387_100000742370 [1,0,0,0,0,0|1,0,2]=4 2359 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [1,0,0,0,0,0|1,0,2]=4 2360 B10R0.74 CC#CCSCCC(=O)OC 62a_100000204255_100000748600 [1,0,0,0,0,0|1,0,2]=4 2361 B10R0.74 CC#CCSCCC(=O)OC 62a_100000748600_100000204255 [1,0,0,0,0,0|1,0,2]=4 2362 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [1,0,0,0,0,0|1,0,2]=4 2363 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [1,0,0,0,0,0|1,0,2]=4 2364 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [1,0,0,0,0,0|1,0,2]=4 2365 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [1,0,0,0,0,0|1,0,2]=4 2366 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [1,0,0,0,0,0|1,0,2]=4 2367 B10R0.74 CCC#CCOCC(=O)OC 34a_100000032950_100000747449 [1,0,0,0,0,0|1,0,2]=4 2368 B10R0.74 CCC#CCSCC(=O)OC 62a_100000747449_100009813939 [1,0,0,0,0,0|1,0,2]=4 2369 B10R0.74 CCC#CCSCC(=O)OC 62a_100009813939_100000747449 [1,0,0,0,0,0|1,0,2]=4 2370 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [1,0,0,0,0,0|2,0,1]=4 2371 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [1,0,0,0,0,0|2,0,0]=3 2372 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,0,0,0,0,0|2,0,0]=3 2373 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,0,0,0,0,0|2,0,0]=3 2374 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [1,0,0,0,0,0|2,0,0]=3 2375 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [1,0,0,0,0,0|3,0,0]=4 2376 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [1,0,0,0,0,0|3,0,0]=4 2377 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [1,0,0,0,0,0|3,0,0]=4 2378 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [1,0,0,0,0,0|3,0,0]=4 2379 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [1,0,0,0,0,0|3,0,0]=4 2380 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [1,0,0,0,0,0|3,0,0]=4 2381 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [1,0,0,0,0,0|3,0,0]=4 2382 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [1,0,0,0,0,0|3,0,0]=4 2383 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [1,0,0,0,0,0|3,0,0]=4 2384 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [1,0,0,0,0,0|3,0,0]=4 2385 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [1,0,0,0,0,0|3,0,0]=4 2386 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [1,0,0,0,0,0|3,0,0]=4 2387 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [1,0,0,0,0,0|3,0,0]=4 2388 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [1,0,0,0,0,0|3,0,0]=4 2389 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [1,0,0,0,0,0|3,0,0]=4 2390 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [1,0,0,0,0,0|1,0,2]=4 2391 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [1,0,0,0,0,0|1,0,2]=4 2392 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [1,0,0,0,0,0|1,0,2]=4 2393 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [1,0,0,0,0,0|1,0,2]=4 2394 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [1,0,0,0,0,0|1,0,2]=4 2395 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [1,0,0,0,0,0|1,0,2]=4 2396 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [1,0,0,0,0,0|1,0,2]=4 2397 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,0,0,0,0,0|1,0,2]=4 2398 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [1,0,0,0,0,0|1,0,2]=4 2399 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [1,0,0,0,0,0|1,0,2]=4 2400 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [1,0,0,0,0,0|1,0,2]=4 2401 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,0,0,0,0,0|1,0,0]=2 2402 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,0,0,0,0,0|1,0,0]=2 2403 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,0,0,0,0,0|2,0,0]=3 2404 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,0,0,0,0,0|2,0,0]=3 2405 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,0,0,0,0,0|1,0,0]=2 2406 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,0,0,0,0,0|1,0,0]=2 2407 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,0,0,0,0,0|1,0,0]=2 2408 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,0,0,0,0,0|1,0,0]=2 2409 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [1,0,0,0,0,0|2,0,1]=4 2410 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [1,0,0,0,0,0|2,0,1]=4 2411 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [1,0,0,0,0,0|2,0,1]=4 2412 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [1,0,0,0,0,0|2,0,1]=4 2413 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [1,0,0,0,0,0|1,0,1]=3 2414 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [1,0,0,0,0,0|1,0,1]=3 2415 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [1,0,0,0,0,0|1,0,1]=3 2416 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [1,0,0,0,0,0|1,0,1]=3 2417 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [1,0,0,0,0,0|1,0,1]=3 2418 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [1,0,0,0,0,0|1,1,1]=4 2419 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [1,0,0,0,0,0|1,1,1]=4 2420 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [1,0,0,0,0,0|1,1,1]=4 2421 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [1,0,0,0,0,0|1,1,1]=4 2422 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [1,0,0,0,0,0|3,0,0]=4 2423 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [1,0,0,0,0,0|3,0,0]=4 2424 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [1,0,0,0,0,0|3,0,0]=4 2425 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [1,0,0,0,0,0|3,0,0]=4 2426 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [1,0,0,0,0,0|3,0,0]=4 2427 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [1,0,0,0,0,0|3,0,0]=4 2428 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [1,0,0,0,0,0|3,0,0]=4 2429 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [1,0,0,0,0,0|3,0,0]=4 2430 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [1,0,0,0,0,0|2,0,0]=3 2431 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [1,0,0,0,0,0|2,0,0]=3 2432 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [1,0,0,0,0,0|2,0,0]=3 2433 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [1,0,0,0,0,0|2,0,0]=3 2434 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,0,0,0,0,0|3,0,0]=4 2435 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,0,0,0,0,0|3,0,0]=4 2436 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [1,0,0,0,0,0|2,0,0]=3 2437 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [1,0,0,0,0,0|2,0,0]=3 2438 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [1,0,0,0,0,0|2,0,0]=3 2439 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [1,0,0,0,0,0|2,0,0]=3 2440 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [1,0,0,0,0,0|2,0,0]=3 2441 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [1,0,0,0,0,0|2,0,0]=3 2442 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [1,0,0,0,0,0|2,0,1]=4 2443 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [1,0,0,0,0,0|2,0,1]=4 2444 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [1,0,0,0,0,0|2,0,0]=3 2445 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [1,0,0,0,0,0|2,0,0]=3 2446 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [1,0,0,0,0,0|1,0,0]=2 2447 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [1,0,0,0,0,0|2,0,1]=4 2448 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [1,0,0,0,0,0|3,0,0]=4 2449 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [1,0,0,0,0,0|3,0,0]=4 2450 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [1,0,0,0,0,0|3,0,0]=4 2451 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [1,0,0,0,0,0|3,0,0]=4 2452 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [1,0,0,0,0,0|2,0,0]=3 2453 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [1,0,0,0,0,0|2,0,0]=3 2454 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [1,0,0,0,0,0|2,0,0]=3 2455 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [1,0,0,0,0,0|2,0,0]=3 2456 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [1,0,0,0,0,0|2,0,0]=3 2457 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [1,0,0,0,0,0|1,0,0]=2 2458 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [1,0,0,0,0,0|1,0,0]=2 2459 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [1,0,0,0,0,0|2,0,1]=4 2460 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [1,0,0,0,0,0|2,0,0]=3 2461 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [1,0,0,0,0,0|2,0,0]=3 2462 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [1,0,0,0,0,0|2,0,0]=3 2463 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [1,0,0,0,0,0|2,0,0]=3 2464 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [1,0,0,0,0,0|1,0,0]=2 2465 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [1,0,0,0,0,0|1,0,0]=2 2466 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [1,0,0,0,0,0|2,0,0]=3 2467 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [1,0,0,0,0,0|2,0,0]=3 2468 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [1,0,0,0,0,0|2,0,0]=3 2469 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [1,0,0,0,0,0|2,0,0]=3 2470 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [1,0,0,0,0,0|1,0,0]=2 2471 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [1,0,0,0,0,0|1,0,0]=2 2472 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [1,0,0,0,0,0|2,0,1]=4 2473 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [1,0,0,0,0,0|2,0,0]=3 2474 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [1,0,0,0,0,0|3,0,0]=4 2475 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [1,0,0,0,0,0|2,0,0]=3 2476 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [1,0,0,0,0,0|2,0,0]=3 2477 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [1,0,0,0,0,0|2,0,0]=3 2478 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [1,0,0,0,0,0|1,0,0]=2 2479 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [1,0,0,0,0,0|1,0,0]=2 2480 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [1,0,0,0,0,0|2,0,1]=4 2481 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [1,0,0,0,0,0|2,0,0]=3 2482 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [1,0,0,0,0,0|2,0,0]=3 2483 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,0,0,0,0,0|1,0,0]=2 2484 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,0,0,0,0,0|1,0,0]=2 2485 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [1,0,0,0,0,0|2,0,0]=3 2486 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [1,0,0,0,0,0|2,0,0]=3 2487 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [1,0,0,0,0,0|2,0,0]=3 2488 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [1,0,0,0,0,0|3,0,0]=4 2489 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [1,0,0,0,0,0|3,0,0]=4 2490 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [1,0,0,0,0,0|2,0,1]=4 2491 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [1,0,0,0,0,0|1,0,2]=4 2492 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [1,0,0,0,0,0|2,0,0]=3 2493 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [1,0,0,0,0,0|3,0,0]=4 2494 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [1,0,0,0,0,0|1,0,0]=2 2495 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [1,0,0,0,0,0|3,0,0]=4 2496 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [1,0,0,0,0,0|3,0,0]=4 2497 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [1,0,0,0,0,0|3,0,0]=4 2498 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [1,0,0,0,0,0|3,0,0]=4 2499 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [1,0,0,0,0,0|3,0,0]=4 2500 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [1,0,0,0,0,0|3,0,0]=4 2501 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [1,0,0,0,0,0|3,0,0]=4 2502 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [1,0,0,0,0,0|3,0,0]=4 2503 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [1,0,0,0,0,0|3,0,0]=4 2504 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [1,0,0,0,0,0|3,0,0]=4 2505 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [1,0,0,0,0,0|3,0,0]=4 2506 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [1,0,0,0,0,0|2,0,0]=3 2507 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [1,0,0,0,0,0|3,0,0]=4 2508 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [1,0,0,0,0,0|3,0,0]=4 2509 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [1,0,0,0,0,0|2,0,0]=3 2510 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [1,0,0,0,0,0|1,0,2]=4 2511 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [1,0,0,0,0,0|1,0,2]=4 2512 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [1,0,0,0,0,0|2,0,0]=3 2513 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [1,0,0,0,0,0|2,0,0]=3 2514 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [1,0,0,0,0,0|1,0,0]=2 2515 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [1,0,0,0,0,0|1,0,0]=2 2516 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [1,0,0,0,0,0|3,0,0]=4 2517 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [1,0,0,0,0,0|3,0,0]=4 2518 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [1,0,0,0,0,0|3,0,0]=4 2519 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [1,0,0,0,0,0|3,0,0]=4 2520 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [1,0,0,0,0,0|3,0,0]=4 2521 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [1,0,0,0,0,0|3,0,0]=4 2522 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [1,0,0,0,0,0|3,0,0]=4 2523 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [1,0,0,0,0,0|3,0,0]=4 2524 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [1,0,0,0,0,0|3,0,0]=4 2525 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [1,0,0,0,0,0|3,0,0]=4 2526 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [1,0,0,0,0,0|3,0,0]=4 2527 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [1,0,0,0,0,0|1,0,0]=2 2528 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [1,0,0,0,0,0|2,0,0]=3 2529 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [1,0,0,0,0,0|2,0,1]=4 2530 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [1,0,0,0,0,0|1,0,0]=2 2531 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [1,0,0,0,0,0|1,0,0]=2 2532 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [1,0,0,0,0,0|1,0,0]=2 2533 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [1,0,0,0,0,0|3,0,0]=4 2534 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [1,0,0,0,0,0|3,0,0]=4 2535 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [1,0,0,0,0,0|3,0,0]=4 2536 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [1,0,0,0,0,0|3,0,0]=4 2537 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [1,0,0,0,0,0|3,0,0]=4 2538 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [1,0,0,0,0,0|3,0,0]=4 2539 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [1,0,0,0,0,0|3,0,0]=4 2540 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [1,0,0,0,0,0|3,0,0]=4 2541 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [1,0,0,0,0,0|3,0,0]=4 2542 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [1,0,0,0,0,0|3,0,0]=4 2543 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [1,0,0,0,0,0|3,0,0]=4 2544 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [1,0,0,0,0,0|3,0,0]=4 2545 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [1,0,0,0,0,0|3,0,0]=4 2546 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [1,0,0,0,0,0|2,0,0]=3 2547 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [1,0,0,0,0,0|2,0,0]=3 2548 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [1,0,0,0,0,0|3,0,0]=4 2549 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [1,0,0,0,0,0|3,0,0]=4 2550 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [1,0,0,0,0,0|3,0,0]=4 2551 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [1,0,0,0,0,0|3,0,0]=4 2552 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [1,0,0,0,0,0|3,0,0]=4 2553 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [1,0,0,0,0,0|2,0,0]=3 2554 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [1,0,0,0,0,0|2,0,0]=3 2555 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [1,0,0,0,0,0|2,0,0]=3 2556 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [1,0,0,0,0,0|3,0,0]=4 2557 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [1,0,0,0,0,0|3,0,0]=4 2558 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [1,0,0,0,0,0|3,0,0]=4 2559 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [1,0,0,0,0,0|3,0,0]=4 2560 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [1,0,0,0,0,0|2,0,0]=3 2561 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [1,0,0,0,0,0|2,0,0]=3 2562 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [1,0,0,0,0,0|3,0,0]=4 2563 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [1,0,0,0,0,0|3,0,0]=4 2564 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [1,0,0,0,0,0|2,0,0]=3 2565 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [1,0,0,0,0,0|2,0,0]=3 2566 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [1,0,0,0,0,0|3,0,0]=4 2567 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [1,0,0,0,0,0|1,0,0]=2 2568 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [1,0,0,0,0,0|1,0,0]=2 2569 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [1,0,0,0,0,0|3,0,0]=4 2570 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [1,0,0,0,0,0|3,0,0]=4 2571 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [1,0,0,0,0,0|2,0,0]=3 2572 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [1,0,0,0,0,0|3,0,0]=4 2573 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [1,0,0,0,0,0|3,0,0]=4 2574 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [1,0,0,0,0,0|3,0,0]=4 2575 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [1,0,0,0,0,0|3,0,0]=4 2576 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [1,0,0,0,0,0|3,0,0]=4 2577 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [1,0,0,0,0,0|2,0,0]=3 2578 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [1,0,0,0,0,0|2,0,0]=3 2579 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [1,0,0,0,0,0|2,0,0]=3 2580 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [1,0,0,0,0,0|2,0,0]=3 2581 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [1,0,0,0,0,0|3,0,0]=4 2582 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [1,0,0,0,0,0|3,0,0]=4 2583 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [1,0,0,0,0,0|3,0,0]=4 2584 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [1,0,0,0,0,0|3,0,0]=4 2585 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [1,0,0,0,0,0|2,0,0]=3 2586 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [1,0,0,0,0,0|2,0,0]=3 2587 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [1,0,0,0,0,0|2,0,0]=3 2588 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [1,0,0,0,0,0|2,0,0]=3 2589 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [1,0,0,0,0,0|2,0,0]=3 2590 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [1,0,0,0,0,0|2,0,0]=3 2591 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [1,0,0,0,0,0|2,0,0]=3 2592 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [1,0,0,0,0,0|3,0,0]=4 2593 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [1,0,0,0,0,0|3,0,0]=4 2594 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [1,0,0,0,0,0|3,0,0]=4 2595 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [1,0,0,0,0,0|3,0,0]=4 2596 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [1,0,0,0,0,0|3,0,0]=4 2597 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [1,0,0,0,0,0|3,0,0]=4 2598 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [1,0,0,0,0,0|3,0,0]=4 2599 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [1,0,0,0,0,0|3,0,0]=4 2600 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [1,0,0,0,0,0|3,0,0]=4 2601 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [1,0,0,0,0,0|3,0,0]=4 2602 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [1,0,0,0,0,0|3,0,0]=4 2603 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [1,0,0,0,0,0|3,0,0]=4 2604 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [1,0,0,0,0,0|3,0,0]=4 2605 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [1,0,0,0,0,0|3,0,0]=4 2606 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [1,0,0,0,0,0|3,0,0]=4 2607 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [1,0,0,0,0,0|3,0,0]=4 2608 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [1,0,0,0,0,0|3,0,0]=4 2609 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [1,0,0,0,0,0|3,0,0]=4 2610 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [1,0,0,0,0,0|3,0,0]=4 2611 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [1,0,0,0,0,0|3,0,0]=4 2612 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [1,0,0,0,0,0|3,0,0]=4 2613 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [1,0,0,0,0,0|3,0,0]=4 2614 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [1,0,0,0,0,0|3,0,0]=4 2615 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [1,0,0,0,0,0|3,0,0]=4 2616 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [1,0,0,0,0,0|3,0,0]=4 2617 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [1,0,0,0,0,0|3,0,0]=4 2618 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [1,0,0,0,0,0|3,0,0]=4 2619 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [1,0,0,0,0,0|3,0,0]=4 2620 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [1,0,0,0,0,0|3,0,0]=4 2621 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [1,0,0,0,0,0|3,0,0]=4 2622 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [1,0,0,0,0,0|3,0,0]=4 2623 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [1,0,0,0,0,0|3,0,0]=4 2624 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [1,0,0,0,0,0|3,0,0]=4 2625 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [1,0,0,0,0,0|3,0,0]=4 2626 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [1,0,0,0,0,0|3,0,0]=4 2627 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [1,0,0,0,0,0|3,0,0]=4 2628 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [1,0,0,0,0,0|3,0,0]=4 2629 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [1,0,0,0,0,0|3,0,0]=4 2630 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [1,0,0,0,0,0|3,0,0]=4 2631 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [1,0,0,0,0,0|3,0,0]=4 2632 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [1,0,0,0,0,0|3,0,0]=4 2633 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [1,0,0,0,0,0|3,0,0]=4 2634 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [1,0,0,0,0,0|3,0,0]=4 2635 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [1,0,0,0,0,0|3,0,0]=4 2636 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [1,0,0,0,0,0|3,0,0]=4 2637 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [1,0,0,0,0,0|3,0,0]=4 2638 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [1,0,0,0,0,0|3,0,0]=4 2639 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [1,0,0,0,0,0|3,0,0]=4 2640 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [1,0,0,0,0,0|3,0,0]=4 2641 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [1,0,0,0,0,0|3,0,0]=4 2642 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [1,0,0,0,0,0|3,0,0]=4 2643 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [1,0,0,0,0,0|3,0,0]=4 2644 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [1,0,0,0,0,0|3,0,0]=4 2645 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [1,0,0,0,0,0|3,0,0]=4 2646 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [1,0,0,0,0,0|3,0,0]=4 2647 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [1,0,0,0,0,0|3,0,0]=4 2648 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [1,0,0,0,0,0|3,0,0]=4 2649 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [1,0,0,0,0,0|3,0,0]=4 2650 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [1,0,0,0,0,0|3,0,0]=4 2651 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [1,0,0,0,0,0|3,0,0]=4 2652 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [1,0,0,0,0,0|3,0,0]=4 2653 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [1,0,0,0,0,0|3,0,0]=4 2654 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [1,0,0,0,0,0|3,0,0]=4 2655 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [1,0,0,0,0,0|3,0,0]=4 2656 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [1,0,0,0,0,0|3,0,0]=4 2657 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [1,0,0,0,0,0|3,0,0]=4 2658 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [1,0,0,0,0,0|3,0,0]=4 2659 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [1,0,0,0,0,0|3,0,0]=4 2660 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [1,0,0,0,0,0|3,0,0]=4 2661 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [1,0,0,0,0,0|3,0,0]=4 2662 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [1,0,0,0,0,0|3,0,0]=4 2663 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [1,0,0,0,0,0|3,0,0]=4 2664 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [1,0,0,0,0,0|3,0,0]=4 2665 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [1,0,0,0,0,0|3,0,0]=4 2666 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [1,0,0,0,0,0|3,0,0]=4 2667 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [1,0,0,0,0,0|3,0,0]=4 2668 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [1,0,0,0,0,0|3,0,0]=4 2669 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [1,0,0,0,0,0|3,0,0]=4 2670 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [1,0,0,0,0,0|3,0,0]=4 2671 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [1,0,0,0,0,0|3,0,0]=4 2672 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [1,0,0,0,0,0|3,0,0]=4 2673 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [1,0,0,0,0,0|3,0,0]=4 2674 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [1,0,0,0,0,0|3,0,0]=4 2675 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [1,0,0,0,0,0|3,0,0]=4 2676 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [1,0,0,0,0,0|3,0,0]=4 2677 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [1,0,0,0,0,0|3,0,0]=4 2678 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [1,0,0,0,0,0|1,0,0]=2 2679 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [1,0,0,0,0,0|1,0,0]=2 2680 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [1,0,0,0,0,0|1,0,0]=2 2681 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [1,0,0,0,0,0|3,0,0]=4 2682 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [1,0,0,0,0,0|2,0,0]=3 2683 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [1,0,0,0,0,0|1,0,0]=2 2684 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [1,0,0,0,0,0|1,0,0]=2 2685 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [1,0,0,0,0,0|1,0,0]=2 2686 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [1,0,0,0,0,0|1,0,0]=2 2687 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [1,0,0,0,0,0|1,0,0]=2 2688 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [1,0,0,0,0,0|1,0,0]=2 2689 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [1,0,0,0,0,0|2,0,0]=3 2690 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [1,0,0,0,0,0|2,0,0]=3 2691 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [1,0,0,0,0,0|2,0,0]=3 2692 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [1,0,0,0,0,0|2,0,0]=3 2693 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [1,0,0,0,0,0|2,0,0]=3 2694 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [1,0,0,0,0,0|2,0,0]=3 2695 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [1,0,0,0,0,0|2,0,0]=3 2696 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [1,0,0,0,0,0|2,0,0]=3 2697 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [1,0,0,0,0,0|2,0,0]=3 2698 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [1,0,0,0,0,0|2,0,1]=4 2699 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [1,0,0,0,0,0|2,0,1]=4 2700 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [1,0,0,0,0,0|2,0,1]=4 2701 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [1,0,0,0,0,0|2,0,1]=4 2702 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [1,0,0,0,0,0|2,0,0]=3 2703 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [1,0,0,0,0,0|2,0,0]=3 2704 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [1,0,0,0,0,0|2,0,0]=3 2705 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [1,0,0,0,0,0|2,0,0]=3 2706 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [1,0,0,0,0,0|2,0,0]=3 2707 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [1,0,0,0,0,0|2,0,0]=3 2708 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [1,0,0,0,0,0|2,0,0]=3 2709 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [1,0,0,0,0,0|2,0,0]=3 2710 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [1,0,0,0,0,0|2,0,0]=3 2711 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [1,0,0,0,0,0|2,0,0]=3 2712 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [1,0,0,0,0,0|2,0,0]=3 2713 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [1,0,0,0,0,0|2,0,0]=3 2714 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [1,0,0,0,0,0|2,0,0]=3 2715 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [1,0,0,0,0,0|3,0,0]=4 2716 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [1,0,0,0,0,0|2,0,0]=3 2717 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [1,0,0,0,0,0|2,0,0]=3 2718 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [1,0,0,0,0,0|2,0,1]=4 2719 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [1,0,0,0,0,0|2,0,1]=4 2720 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [1,0,0,0,0,0|2,0,0]=3 2721 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [1,0,0,0,0,0|2,0,0]=3 2722 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [1,0,0,0,0,0|2,0,0]=3 2723 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [1,0,0,0,0,0|2,0,0]=3 2724 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [1,0,0,0,0,0|2,0,0]=3 2725 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [1,0,0,0,0,0|2,0,0]=3 2726 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [1,0,0,0,0,0|2,0,0]=3 2727 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [1,0,0,0,0,0|2,0,0]=3 2728 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [1,0,0,0,0,0|2,0,0]=3 2729 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [1,0,0,0,0,0|2,0,0]=3 2730 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [1,0,0,0,0,0|2,0,0]=3 2731 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [1,0,0,0,0,0|2,0,0]=3 2732 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [1,0,0,0,0,0|2,0,0]=3 2733 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [1,0,0,0,0,0|2,0,0]=3 2734 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [1,0,0,0,0,0|2,0,0]=3 2735 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [1,0,0,0,0,0|2,0,0]=3 2736 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [1,0,0,0,0,0|2,0,0]=3 2737 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [1,0,0,0,0,0|2,0,0]=3 2738 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [1,0,0,0,0,0|3,0,0]=4 2739 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [1,0,0,0,0,0|3,0,0]=4 2740 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [1,0,0,0,0,0|2,0,1]=4 2741 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [1,0,0,0,0,0|2,0,1]=4 2742 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [1,0,0,0,0,0|2,0,1]=4 2743 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [1,0,0,0,0,0|2,0,1]=4 2744 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [1,0,0,0,0,0|2,0,0]=3 2745 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [1,0,0,0,0,0|2,0,0]=3 2746 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [1,0,0,0,0,0|2,0,0]=3 2747 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [1,0,0,0,0,0|2,0,0]=3 2748 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [1,0,0,0,0,0|3,0,0]=4 2749 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [1,0,0,0,0,0|3,0,0]=4 2750 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [1,0,0,0,0,0|3,0,0]=4 2751 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [1,0,0,0,0,0|3,0,0]=4 2752 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [1,0,0,0,0,0|3,0,0]=4 2753 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [1,0,0,0,0,0|3,0,0]=4 2754 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [1,0,0,0,0,0|3,0,0]=4 2755 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [1,0,0,0,0,0|3,0,0]=4 2756 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [1,0,0,0,0,0|3,0,0]=4 2757 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [1,0,0,0,0,0|3,0,0]=4 2758 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [1,0,0,0,0,0|1,0,0]=2 2759 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [1,0,0,0,0,0|1,0,0]=2 2760 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [1,0,0,0,0,0|1,0,0]=2 2761 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [1,0,0,0,0,0|2,0,0]=3 2762 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [1,0,0,0,0,0|2,0,0]=3 2763 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [1,0,0,0,0,0|2,0,0]=3 2764 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [1,0,0,0,0,0|2,0,0]=3 2765 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [1,0,0,0,0,0|2,0,0]=3 2766 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [1,0,0,0,0,0|2,0,0]=3 2767 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [1,0,0,0,0,0|2,0,0]=3 2768 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [1,0,0,0,0,0|2,0,0]=3 2769 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [1,0,0,0,0,0|3,0,0]=4 2770 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [1,0,0,0,0,0|2,0,0]=3 2771 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [1,0,0,0,0,0|2,0,0]=3 2772 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [1,0,0,0,0,0|3,0,0]=4 2773 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [1,0,0,0,0,0|3,0,0]=4 2774 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,0,0,0,0,0|3,0,0]=4 2775 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,1,0,0,0,0|1,0,1]=3 2776 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,1,0,0,0,0|1,0,1]=3 2777 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011219782_100000184674 [0,1,0,0,0,0|2,0,1]=4 2778 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011220946_100000760002 [0,1,0,0,0,0|2,0,1]=4 2779 B12R0.1 C#CCC(=O)CCCCCCOC 1458a_100011220946_100011998445 [0,1,0,0,0,0|2,0,1]=4 2780 B12R0.1 C#CCC(=O)NCCCCCCC 1626a_100000229938_100011220946 [0,1,0,0,0,0|2,0,1]=4 2781 B12R0.1 C#CCC(=O)NCCCCCCC 527a_100000229938_100011220946 [0,1,0,0,0,0|2,0,1]=4 2782 B12R0.1 C#CCCCCCCC(=O)C#CC 1458a_100000763181_100012276617 [0,1,0,0,0,0|1,0,2]=4 2783 B12R0.1 C#CCCCCCCC(=O)C=CC 1458a_100000210699_100012276617 [0,1,0,0,0,0|1,0,2]=4 2784 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,1,0,0,0,0|1,0,2]=4 2785 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,1,0,0,0,0|1,0,2]=4 2786 B12R0.1 C#CCCCCCCC(=O)CCF 1458a_100000034748_100011217306 [0,1,0,0,0,0|1,0,2]=4 2787 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,1,0,0,0,0|1,0,2]=4 2788 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,1,0,0,0,0|1,0,2]=4 2789 B12R0.1 C#CCCCCCCC(=O)COC 1458a_100000210968_100012276617 [0,1,0,0,0,0|0,0,2]=3 2790 B12R0.1 C#CCCCCCCC(=O)CSC 1458a_100000184570_100012276617 [0,1,0,0,0,0|0,1,2]=4 2791 B12R0.1 C#CCCCCCCC(=O)NCC 11a_100015525214_100000034748 [0,1,0,0,0,0|1,0,2]=4 2792 B12R0.1 C#CCCCCCCC(=O)NCC 240690a_100015525214_100000034748 [0,1,0,0,0,0|1,0,2]=4 2793 B12R0.1 C#CCCCCCCC(=O)NCC 527a_100015525214_100000034748 [0,1,0,0,0,0|1,0,2]=4 2794 B12R0.1 C#CCCCCCCC(=O)NNC 22a_100016993582_100000034748 [0,1,0,0,0,0|1,0,2]=4 2795 B12R0.1 C#CCCCCNCC(=O)OCC 2230a_100000706060_100000188475 [0,1,0,0,0,0|1,0,2]=4 2796 B12R0.1 C#CCCCCNCC(=O)OCC 34a_100000706060_100000188475 [0,1,0,0,0,0|1,0,2]=4 2797 B12R0.1 C#CCCCCOCC(=O)OCC 34a_100000766709_100000188475 [0,1,0,0,0,0|1,0,2]=4 2798 B12R0.1 C#CCCCCOCC(=O)OCC 7a_100000766709_100000188475 [0,1,0,0,0,0|1,0,2]=4 2799 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100000188475_100010269958 [0,1,0,0,0,0|1,0,2]=4 2800 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100010269958_100000188475 [0,1,0,0,0,0|1,0,2]=4 2801 B12R0.1 C#CCCCNCCC(=O)OCC 34a_100000718082_100000765890 [0,1,0,0,0,0|1,0,2]=4 2802 B12R0.1 C#CCCCOCCC(=O)OCC 34a_100000215630_100000765890 [0,1,0,0,0,0|1,0,2]=4 2803 B12R0.1 C#CCCCOCCC(=O)OCC 7a_100000215630_100011206558 [0,1,0,0,0,0|1,0,2]=4 2804 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100000765890_100011215417 [0,1,0,0,0,0|1,0,2]=4 2805 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100011215417_100000765890 [0,1,0,0,0,0|1,0,2]=4 2806 B12R0.1 C#CCCNCCCC(=O)OCC 34a_100000755551_100009991533 [0,1,0,0,0,0|1,0,2]=4 2807 B12R0.1 C#CCCOCCCC(=O)OCC 34a_100011215631_100009991533 [0,1,0,0,0,0|1,0,2]=4 2808 B12R0.1 C#CCCOCCCC(=O)OCC 7a_100012001163_100000688953 [0,1,0,0,0,0|1,0,2]=4 2809 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100000688953_100009991533 [0,1,0,0,0,0|1,0,2]=4 2810 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100009991533_100000688953 [0,1,0,0,0,0|1,0,2]=4 2811 B12R0.1 C#CCNCCCCC(=O)OCC 34a_100000212058_100000750268 [0,1,0,0,0,0|1,0,2]=4 2812 B12R0.1 C#CCOCCCCC(=O)OCC 34a_100000210247_100000750268 [0,1,0,0,0,0|1,0,2]=4 2813 B12R0.1 C#CCSCCCCC(=O)OCC 62a_100000038162_100000750268 [0,1,0,0,0,0|1,0,2]=4 2814 B12R0.1 C/C=C/CCOCCC(=O)OCC 34a_100016278192_100000765890 [0,1,0,0,0,0|1,0,2]=4 2815 B12R0.1 C/C=C/COCCCC(=O)OCC 34a_100016270725_100009991533 [0,1,0,0,0,0|1,0,2]=4 2816 B12R0.1 C/C=C/COCCCC(=O)OCC 7a_100012001163_100102629194 [0,1,0,0,0,0|1,0,2]=4 2817 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100009991533_100102629194 [0,1,0,0,0,0|1,0,2]=4 2818 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100102629194_100009991533 [0,1,0,0,0,0|1,0,2]=4 2819 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,1,0,0,0,0|1,0,1]=3 2820 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,1,0,0,0,0|1,0,1]=3 2821 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,1,0,0,0,0|2,0,1]=4 2822 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,1,0,0,0,0|2,0,1]=4 2823 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,1,0,0,0,0|2,0,1]=4 2824 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,1,0,0,0,0|2,0,1]=4 2825 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,1,0,0,0,0|2,0,1]=4 2826 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,1,0,0,0,0|2,0,1]=4 2827 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,1,0,0,0,0|2,0,1]=4 2828 B12R0.1 C=CCCCCCCC(=O)C#CC 1458a_100000763181_100011215473 [0,1,0,0,0,0|1,0,2]=4 2829 B12R0.1 C=CCCCCCCC(=O)C=CC 1458a_100000210699_100011215473 [0,1,0,0,0,0|1,0,2]=4 2830 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,1,0,0,0,0|1,0,2]=4 2831 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,1,0,0,0,0|1,0,2]=4 2832 B12R0.1 C=CCCCCCCC(=O)CCF 1458a_100011809334_100011217306 [0,1,0,0,0,0|1,0,2]=4 2833 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,1,0,0,0,0|1,0,2]=4 2834 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,1,0,0,0,0|1,0,2]=4 2835 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,1,0,0,0,0|0,0,2]=3 2836 B12R0.1 C=CCCCCCCC(=O)CSC 1458a_100000184570_100011215473 [0,1,0,0,0,0|0,1,2]=4 2837 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [0,1,0,0,0,0|1,0,2]=4 2838 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [0,1,0,0,0,0|1,0,2]=4 2839 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [0,1,0,0,0,0|1,0,2]=4 2840 B12R0.1 C=CCCCCCCC(=O)NNC 22a_100016993582_100011809334 [0,1,0,0,0,0|1,0,2]=4 2841 B12R0.1 C=CCCCCNCC(=O)OCC 2230a_100000703577_100000188475 [0,1,0,0,0,0|1,0,2]=4 2842 B12R0.1 C=CCCCCNCC(=O)OCC 34a_100000703577_100000188475 [0,1,0,0,0,0|1,0,2]=4 2843 B12R0.1 C=CCCCCOCC(=O)OCC 34a_100000766645_100000188475 [0,1,0,0,0,0|1,0,2]=4 2844 B12R0.1 C=CCCCCOCC(=O)OCC 7a_100000766645_100000188475 [0,1,0,0,0,0|1,0,2]=4 2845 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100000188475_100011215482 [0,1,0,0,0,0|1,0,2]=4 2846 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100011215482_100000188475 [0,1,0,0,0,0|1,0,2]=4 2847 B12R0.1 C=CCCCNCCC(=O)OCC 2230a_100000700776_100011206558 [0,1,0,0,0,0|1,0,2]=4 2848 B12R0.1 C=CCCCNCCC(=O)OCC 34a_100000700776_100000765890 [0,1,0,0,0,0|1,0,2]=4 2849 B12R0.1 C=CCCCOCCC(=O)OCC 34a_100000758997_100000765890 [0,1,0,0,0,0|1,0,2]=4 2850 B12R0.1 C=CCCCOCCC(=O)OCC 7a_100000758997_100011206558 [0,1,0,0,0,0|1,0,2]=4 2851 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100000765890_100000757094 [0,1,0,0,0,0|1,0,2]=4 2852 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100011713584_100000765890 [0,1,0,0,0,0|1,0,2]=4 2853 B12R0.1 C=CCCNCCCC(=O)OCC 2230a_100015191253_100009991533 [0,1,0,0,0,0|1,0,2]=4 2854 B12R0.1 C=CCCOCCCC(=O)OCC 34a_100011205117_100009991533 [0,1,0,0,0,0|1,0,2]=4 2855 B12R0.1 C=CCCOCCCC(=O)OCC 7a_100012001163_100000754431 [0,1,0,0,0,0|1,0,2]=4 2856 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100000754431_100009991533 [0,1,0,0,0,0|1,0,2]=4 2857 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100009991533_100000754431 [0,1,0,0,0,0|1,0,2]=4 2858 B12R0.1 C=CCNCCCCC(=O)OCC 2230a_100020586998_100000750268 [0,1,0,0,0,0|1,0,2]=4 2859 B12R0.1 C=CCOCCCCC(=O)OCC 34a_200000210373_100000750268 [0,1,0,0,0,0|1,0,2]=4 2860 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000210623_100000750268 [0,1,0,0,0,0|1,0,2]=4 2861 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000750268_100000210623 [0,1,0,0,0,0|1,0,2]=4 2862 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [0,1,0,0,0,0|1,0,1]=3 2863 B12R0.1 C=COC(=O)CNCCCCCO 2230a_100000762737_100000036128 [0,1,0,0,0,0|2,0,1]=4 2864 B12R0.1 C=COC(=O)CNCCCCCO 34a_100000762737_100000036128 [0,1,0,0,0,0|2,0,1]=4 2865 B12R0.1 C=COC(=O)CNCCCOCC 2230a_100000210961_100000036128 [0,1,0,0,0,0|2,0,1]=4 2866 B12R0.1 C=COC(=O)CNCCCOCC 34a_100000210961_100000036128 [0,1,0,0,0,0|2,0,1]=4 2867 B12R0.1 C=COC(=O)CNCCOCCC 2230a_100161115042_100000036128 [0,1,0,0,0,0|2,0,1]=4 2868 B12R0.1 C=COC(=O)CNCCOCCC 34a_100161115042_100000036128 [0,1,0,0,0,0|2,0,1]=4 2869 B12R0.1 C=COC(=O)CNCCSCCC 2230a_100020603323_100000036128 [0,1,0,0,0,0|2,0,1]=4 2870 B12R0.1 C=COC(=O)COCCCCCBr 34a_100000746331_100000036128 [0,1,0,0,0,0|2,0,1]=4 2871 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [0,1,0,0,0,0|1,0,1]=3 2872 B12R0.1 C=COC(=O)COCCCCCCl 34a_100000746330_100000036128 [0,1,0,0,0,0|2,0,1]=4 2873 B12R0.1 C=COC(=O)COCCCCCI 34a_200012148887_100000036128 [0,1,0,0,0,0|2,0,1]=4 2874 B12R0.1 C=COC(=O)COCCCCCN 34a_100000762737_100000036128 [0,1,0,0,0,0|2,0,1]=4 2875 B12R0.1 C=COC(=O)COCCCCOC 34a_100000740925_100000036128 [0,1,0,0,0,0|2,0,1]=4 2876 B12R0.1 C=COC(=O)COCCCCSC 34a_100011217163_100000036128 [0,1,0,0,0,0|2,0,1]=4 2877 B12R0.1 C=COC(=O)COCCCOCC 34a_100000757476_100000036128 [0,1,0,0,0,0|2,0,1]=4 2878 B12R0.1 C=COC(=O)COCCCSCC 34a_100011216438_100000036128 [0,1,0,0,0,0|2,0,1]=4 2879 B12R0.1 C=COC(=O)COCCOCCC 34a_100000752267_100000036128 [0,1,0,0,0,0|2,0,1]=4 2880 B12R0.1 C=COC(=O)COCCSCCC 34a_200000230433_100000036128 [0,1,0,0,0,0|2,0,1]=4 2881 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [0,1,0,0,0,0|1,0,1]=3 2882 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [0,1,0,0,0,0|1,0,1]=3 2883 B12R0.1 C=COC(=O)CSCCCCCF 62a_100000036128_100000729378 [0,1,0,0,0,0|2,0,1]=4 2884 B12R0.1 C=COC(=O)CSCCCCCF 62a_100000729378_100000036128 [0,1,0,0,0,0|2,0,1]=4 2885 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000036128_100000746330 [0,1,0,0,0,0|2,0,1]=4 2886 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000746330_100000036128 [0,1,0,0,0,0|2,0,1]=4 2887 B12R0.1 C=COC(=O)CSCCCCOC 62a_100000036128_100000730899 [0,1,0,0,0,0|2,0,1]=4 2888 B12R0.1 C=COC(=O)CSCCCCOC 62a_100000730899_100000036128 [0,1,0,0,0,0|2,0,1]=4 2889 B12R0.1 C=COC(=O)CSCCCOCC 62a_100000036128_100012232248 [0,1,0,0,0,0|2,0,1]=4 2890 B12R0.1 C=COC(=O)CSCCCOCC 62a_100012232248_100000036128 [0,1,0,0,0,0|2,0,1]=4 2891 B12R0.1 C=COC(=O)CSCCOCCC 62a_100000036128_100011215938 [0,1,0,0,0,0|2,0,1]=4 2892 B12R0.1 C=COC(=O)CSCCOCCC 62a_100011215938_100000036128 [0,1,0,0,0,0|2,0,1]=4 2893 B12R0.1 C=COC(=O)CSCOCCCC 62a_100000036128_100011995733 [0,1,0,0,0,0|2,0,1]=4 2894 B12R0.1 C=COC(=O)CSCOCCCC 62a_100011995733_100000036128 [0,1,0,0,0,0|2,0,1]=4 2895 B12R0.1 CC#CC(=O)CC#CCCCCC 1458a_100000763181_100009816472 [0,1,0,0,0,0|1,0,2]=4 2896 B12R0.1 CC#CC(=O)CCCCCCC#N 1458a_100000763181_100009813337 [0,1,0,0,0,0|2,0,1]=4 2897 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,1,0,0,0,0|1,0,0]=2 2898 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [0,1,0,0,0,0|2,0,0]=3 2899 B12R0.1 CC#CC(=O)CCCCCCOC 1458a_100000763181_100011998445 [0,1,0,0,0,0|2,0,0]=3 2900 B12R0.1 CC#CC(=O)CCCOCCOC 1458a_100000763181_100011216529 [0,1,0,0,0,0|3,0,0]=4 2901 B12R0.1 CC#CC(=O)CCOCCOCC 1458a_100000763181_100011211534 [0,1,0,0,0,0|3,0,0]=4 2902 B12R0.1 CC#CCCOCCC(=O)OCC 34a_100000750427_100000765890 [0,1,0,0,0,0|1,0,2]=4 2903 B12R0.1 CC#CCNCCCC(=O)OCC 2230a_100000685387_100009991533 [0,1,0,0,0,0|1,0,2]=4 2904 B12R0.1 CC#CCNCCCC(=O)OCC 34a_100000685387_100009991533 [0,1,0,0,0,0|1,0,2]=4 2905 B12R0.1 CC#CCOCCCC(=O)OCC 34a_100000761923_100009991533 [0,1,0,0,0,0|1,0,2]=4 2906 B12R0.1 CC#CCOCCCC(=O)OCC 7a_100012001163_100000748600 [0,1,0,0,0,0|1,0,2]=4 2907 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100000748600_100009991533 [0,1,0,0,0,0|1,0,2]=4 2908 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100009991533_100000748600 [0,1,0,0,0,0|1,0,2]=4 2909 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [0,1,0,0,0,0|1,0,2]=4 2910 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [0,1,0,0,0,0|1,0,2]=4 2911 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100000188475_100015370543 [0,1,0,0,0,0|1,0,2]=4 2912 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100015370543_100000188475 [0,1,0,0,0,0|1,0,2]=4 2913 B12R0.1 CC/C=C\COCCC(=O)OCC 34a_100016268518_100000765890 [0,1,0,0,0,0|1,0,2]=4 2914 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100000765890_100103147603 [0,1,0,0,0,0|1,0,2]=4 2915 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100103147603_100000765890 [0,1,0,0,0,0|1,0,2]=4 2916 B12R0.1 CC=CC(=O)CC#CCCCCC 1458a_100000210699_100009816472 [0,1,0,0,0,0|1,0,2]=4 2917 B12R0.1 CC=CC(=O)CCCCCCC#N 1458a_100000210699_100009813337 [0,1,0,0,0,0|2,0,1]=4 2918 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,1,0,0,0,0|1,0,0]=2 2919 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,1,0,0,0,0|2,0,0]=3 2920 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [0,1,0,0,0,0|2,0,0]=3 2921 B12R0.1 CC=CC(=O)CCCOCCOC 1458a_100000210699_100011216529 [0,1,0,0,0,0|3,0,0]=4 2922 B12R0.1 CC=CC(=O)CCOCCOCC 1458a_100000210699_100011211534 [0,1,0,0,0,0|3,0,0]=4 2923 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,1,0,0,0,0|2,0,0]=3 2924 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,1,0,0,0,0|2,0,0]=3 2925 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,1,0,0,0,0|2,0,0]=3 2926 B12R0.1 CC=CC(=O)NCCCCCCO 240690a_100000686447_100000210699 [0,1,0,0,0,0|3,0,0]=4 2927 B12R0.1 CC=CC(=O)NCCCCCOC 11a_100000747528_100000210699 [0,1,0,0,0,0|3,0,0]=4 2928 B12R0.1 CC=CC(=O)NCCCCCOC 1626a_100000747528_100000210699 [0,1,0,0,0,0|3,0,0]=4 2929 B12R0.1 CC=CC(=O)NCCCCCOC 240690a_100000747528_100000210699 [0,1,0,0,0,0|3,0,0]=4 2930 B12R0.1 CC=CC(=O)NCCCOCCC 1626a_100011217757_100000210699 [0,1,0,0,0,0|3,0,0]=4 2931 B12R0.1 CC=CC(=O)NCCCOCCC 240690a_100011217757_100000210699 [0,1,0,0,0,0|3,0,0]=4 2932 B12R0.1 CC=CC(=O)NCCSCCCC 11a_100025743550_100000210699 [0,1,0,0,0,0|3,0,0]=4 2933 B12R0.1 CC=CC(=O)NCCSCCCC 1626a_100025743550_100000210699 [0,1,0,0,0,0|3,0,0]=4 2934 B12R0.1 CC=CC(=O)NCCSCCCC 240690a_100025743550_100000210699 [0,1,0,0,0,0|3,0,0]=4 2935 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [0,1,0,0,0,0|1,0,2]=4 2936 B12R0.1 CC=CCOCCCC(=O)OCC 7a_100012001163_100000070051 [0,1,0,0,0,0|1,0,2]=4 2937 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100000070051_100009991533 [0,1,0,0,0,0|1,0,2]=4 2938 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100009991533_100000070051 [0,1,0,0,0,0|1,0,2]=4 2939 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [0,1,0,0,0,0|1,0,2]=4 2940 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [0,1,0,0,0,0|1,0,2]=4 2941 B12R0.1 CCC#CCOCCC(=O)OCC 34a_100000032950_100000765890 [0,1,0,0,0,0|1,0,2]=4 2942 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100000765890_100009813939 [0,1,0,0,0,0|1,0,2]=4 2943 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100009813939_100000765890 [0,1,0,0,0,0|1,0,2]=4 2944 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [0,1,0,0,0,0|1,0,2]=4 2945 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [0,1,0,0,0,0|1,0,2]=4 2946 B12R0.1 CCCC#CCOCC(=O)OCC 34a_100000034806_100000188475 [0,1,0,0,0,0|1,0,2]=4 2947 B12R0.1 CCCC#CCOCC(=O)OCC 7a_100000034806_100000188475 [0,1,0,0,0,0|1,0,2]=4 2948 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,1,0,0,0,0|2,0,1]=4 2949 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,1,0,0,0,0|2,0,0]=3 2950 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,1,0,0,0,0|2,0,0]=3 2951 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,1,0,0,0,0|2,0,0]=3 2952 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,1,0,0,0,0|3,0,0]=4 2953 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [0,1,0,0,0,0|3,0,0]=4 2954 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,1,0,0,0,0|3,0,0]=4 2955 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,1,0,0,0,0|3,0,0]=4 2956 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,1,0,0,0,0|3,0,0]=4 2957 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,1,0,0,0,0|3,0,0]=4 2958 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,1,0,0,0,0|3,0,0]=4 2959 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,1,0,0,0,0|3,0,0]=4 2960 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,1,0,0,0,0|3,0,0]=4 2961 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,1,0,0,0,0|3,0,0]=4 2962 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,1,0,0,0,0|3,0,0]=4 2963 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,1,0,0,0,0|3,0,0]=4 2964 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,1,0,0,0,0|3,0,0]=4 2965 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,1,0,0,0,0|3,0,0]=4 2966 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,1,0,0,0,0|3,0,0]=4 2967 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,1,0,0,0,0|3,0,0]=4 2968 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,1,0,0,0,0|3,0,0]=4 2969 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,1,0,0,0,0|3,0,0]=4 2970 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,1,0,0,0,0|3,0,0]=4 2971 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,1,0,0,0,0|3,0,0]=4 2972 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,1,0,0,0,0|3,0,0]=4 2973 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,1,0,0,0,0|3,0,0]=4 2974 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,1,0,0,0,0|3,0,0]=4 2975 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,1,0,0,0,0|3,0,0]=4 2976 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,1,0,0,0,0|1,0,2]=4 2977 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [0,1,0,0,0,0|1,0,2]=4 2978 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,1,0,0,0,0|1,0,2]=4 2979 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,1,0,0,0,0|1,0,2]=4 2980 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,1,0,0,0,0|1,0,2]=4 2981 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [0,1,0,0,0,0|1,0,2]=4 2982 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [0,1,0,0,0,0|1,0,2]=4 2983 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,1,0,0,0,0|1,0,2]=4 2984 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [0,1,0,0,0,0|0,0,2]=3 2985 B12R0.1 CCCCCC#CCC(=O)CSC 1458a_100000184570_100009816472 [0,1,0,0,0,0|0,1,2]=4 2986 B12R0.1 CCCCCC=NNC(=O)COC 4a_100000216845_100000737632 [0,1,0,0,0,0|2,0,1]=4 2987 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,1,0,0,0,0|1,0,2]=4 2988 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,1,0,0,0,0|1,0,2]=4 2989 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,1,0,0,0,0|1,0,2]=4 2990 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,1,0,0,0,0|1,0,2]=4 2991 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,1,0,0,0,0|1,0,2]=4 2992 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,1,0,0,0,0|1,0,2]=4 2993 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,1,0,0,0,0|1,0,1]=3 2994 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,1,0,0,0,0|1,0,1]=3 2995 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,1,0,0,0,0|1,0,1]=3 2996 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,1,0,0,0,0|1,0,1]=3 2997 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,1,0,0,0,0|1,0,1]=3 2998 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,1,0,0,0,0|1,0,0]=2 2999 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,1,0,0,0,0|1,0,0]=2 3000 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,1,0,0,0,0|1,0,0]=2 3001 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,1,0,0,0,0|1,0,0]=2 3002 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,1,0,0,0,0|1,0,0]=2 3003 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,1,0,0,0,0|0,0,0]=1 3004 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,1,0,0,0,0|0,1,0]=2 3005 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,1,0,0,0,0|1,0,0]=2 3006 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,1,0,0,0,0|1,0,0]=2 3007 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,1,0,0,0,0|1,0,0]=2 3008 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,1,0,0,0,0|1,0,0]=2 3009 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [0,1,0,0,0,0|2,0,1]=4 3010 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,1,0,0,0,0|1,0,1]=3 3011 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,1,0,0,0,0|1,0,1]=3 3012 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,1,0,0,0,0|1,0,1]=3 3013 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,1,0,0,0,0|1,0,1]=3 3014 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [0,1,0,0,0,0|2,0,1]=4 3015 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,1,0,0,0,0|1,0,1]=3 3016 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,1,0,0,0,0|1,0,1]=3 3017 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [0,1,0,0,0,0|1,0,1]=3 3018 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [0,1,0,0,0,0|1,0,1]=3 3019 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [0,1,0,0,0,0|3,0,0]=4 3020 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [0,1,0,0,0,0|3,0,0]=4 3021 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [0,1,0,0,0,0|3,0,0]=4 3022 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [0,1,0,0,0,0|3,0,0]=4 3023 B12R0.1 CCCCCCCCN(C)CCF 2230a_100000207567_100011217306 [0,1,0,0,0,0|3,0,0]=4 3024 B12R0.1 CCCCCCCCN(C)CCF 269982a_100000207567_100011217306 [0,1,0,0,0,0|3,0,0]=4 3025 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [0,1,0,0,0,0|3,0,0]=4 3026 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [0,1,0,0,0,0|3,0,0]=4 3027 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [0,1,0,0,0,0|3,0,0]=4 3028 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [0,1,0,0,0,0|3,0,0]=4 3029 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [0,1,0,0,0,0|2,0,0]=3 3030 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [0,1,0,0,0,0|2,0,0]=3 3031 B12R0.1 CCCCCCCCN(C)CSC 2230a_100000207567_100011218213 [0,1,0,0,0,0|2,1,0]=4 3032 B12R0.1 CCCCCCCCN(C)CSC 269982a_100000207567_100011218213 [0,1,0,0,0,0|2,1,0]=4 3033 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [0,1,0,0,0,0|2,0,1]=4 3034 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [0,1,0,0,0,0|2,0,1]=4 3035 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [0,1,0,0,0,0|2,0,1]=4 3036 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [0,1,0,0,0,0|2,0,1]=4 3037 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [0,1,0,0,0,0|2,0,1]=4 3038 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [0,1,0,0,0,0|2,0,1]=4 3039 B12R0.1 CCCCCCCNC(=O)CC#N 1626a_100000229938_100051588842 [0,1,0,0,0,0|2,0,1]=4 3040 B12R0.1 CCCCCCCNC(=O)CC#N 240690a_100000229938_100051588842 [0,1,0,0,0,0|2,0,1]=4 3041 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,1,0,0,0,0|2,0,0]=3 3042 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,1,0,0,0,0|2,0,0]=3 3043 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,1,0,0,0,0|2,0,0]=3 3044 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,1,0,0,0,0|2,0,0]=3 3045 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,1,0,0,0,0|2,0,0]=3 3046 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,1,0,0,0,0|1,0,0]=2 3047 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,1,0,0,0,0|1,0,0]=2 3048 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,1,0,0,0,0|1,0,0]=2 3049 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,1,0,0,0,0|1,0,0]=2 3050 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,1,0,0,0,0|1,1,0]=3 3051 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,1,0,0,0,0|1,1,0]=3 3052 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,1,0,0,0,0|1,1,0]=3 3053 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,1,0,0,0,0|1,1,0]=3 3054 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,1,0,0,0,0|2,0,0]=3 3055 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,1,0,0,0,0|2,0,0]=3 3056 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,1,0,0,0,0|2,0,0]=3 3057 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,1,0,0,0,0|2,0,0]=3 3058 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,1,0,0,0,0|2,0,0]=3 3059 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,1,0,0,0,0|2,0,0]=3 3060 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,1,0,0,0,0|2,0,0]=3 3061 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,1,0,0,0,0|2,0,0]=3 3062 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,1,0,0,0,0|2,0,0]=3 3063 B12R0.1 CCCCCCCNC(C)COC 2230a_100000229938_100000765312 [0,1,0,0,0,0|2,0,1]=4 3064 B12R0.1 CCCCCCCNC(C)COC 270004a_100000229938_100000749346 [0,1,0,0,0,0|2,0,1]=4 3065 B12R0.1 CCCCCCCN[C@H](C)COC 2230a_100000764878_100000210681 [0,1,0,0,0,0|2,0,1]=4 3066 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [0,1,0,0,0,0|2,0,1]=4 3067 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [0,1,0,0,0,0|2,0,1]=4 3068 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [0,1,0,0,0,0|2,0,1]=4 3069 B12R0.1 CCCCCCCSC(C)COC 62a_100000210614_100000765312 [0,1,0,0,0,0|2,0,1]=4 3070 B12R0.1 CCCCCCCSC(C)COC 62a_100000765312_100000210316 [0,1,0,0,0,0|2,0,1]=4 3071 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,1,0,0,0,0|2,0,0]=3 3072 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,1,0,0,0,0|2,0,0]=3 3073 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,1,0,0,0,0|2,0,0]=3 3074 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,1,0,0,0,0|2,0,0]=3 3075 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,1,0,0,0,0|1,0,0]=2 3076 B12R0.1 CCCCCCNCC(O)COC 2230a_100000756049_100000210314 [0,1,0,0,0,0|1,0,2]=4 3077 B12R0.1 CCCCCCNCC(O)COC 34a_100000756049_100000210314 [0,1,0,0,0,0|1,0,2]=4 3078 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,1,0,0,0,0|2,0,0]=3 3079 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,1,0,0,0,0|2,0,0]=3 3080 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,1,0,0,0,0|2,0,0]=3 3081 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,1,0,0,0,0|2,0,0]=3 3082 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,1,0,0,0,0|2,0,0]=3 3083 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,1,0,0,0,0|1,0,0]=2 3084 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,1,0,0,0,0|1,0,0]=2 3085 B12R0.1 CCCCCCOCC(N)COC 34a_100000724102_100000210314 [0,1,0,0,0,0|2,0,1]=4 3086 B12R0.1 CCCCCCOCC(O)COC 34a_100000210259_100011215053 [0,1,0,0,0,0|1,0,2]=4 3087 B12R0.1 CCCCCCOCC(O)COC 7a_100000210259_100011215053 [0,1,0,0,0,0|1,0,2]=4 3088 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,1,0,0,0,0|2,0,0]=3 3089 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,1,0,0,0,0|2,0,0]=3 3090 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,1,0,0,0,0|2,0,0]=3 3091 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,1,0,0,0,0|2,0,0]=3 3092 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,1,0,0,0,0|2,0,0]=3 3093 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,1,0,0,0,0|2,0,0]=3 3094 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,1,0,0,0,0|1,0,0]=2 3095 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,1,0,0,0,0|1,0,0]=2 3096 B12R0.1 CCCCCCSCC(O)COC 62a_100000210314_100011215053 [0,1,0,0,0,0|1,0,2]=4 3097 B12R0.1 CCCCCCSCC(O)COC 62a_100011215053_100000210757 [0,1,0,0,0,0|1,0,2]=4 3098 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,1,0,0,0,0|2,0,0]=3 3099 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,1,0,0,0,0|2,0,0]=3 3100 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,1,0,0,0,0|1,0,0]=2 3101 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,1,0,0,0,0|3,0,0]=4 3102 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [0,1,0,0,0,0|2,0,1]=4 3103 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,1,0,0,0,0|2,0,0]=3 3104 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,1,0,0,0,0|1,0,0]=2 3105 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,1,0,0,0,0|1,0,0]=2 3106 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,1,0,0,0,0|3,0,0]=4 3107 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,1,0,0,0,0|2,0,0]=3 3108 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,1,0,0,0,0|2,0,0]=3 3109 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,1,0,0,0,0|1,0,0]=2 3110 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,1,0,0,0,0|1,0,0]=2 3111 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,1,0,0,0,0|3,0,0]=4 3112 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,1,0,0,0,0|2,0,0]=3 3113 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,1,0,0,0,0|1,0,2]=4 3114 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,1,0,0,0,0|1,0,2]=4 3115 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,1,0,0,0,0|1,0,0]=2 3116 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,1,0,0,0,0|1,0,0]=2 3117 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,1,0,0,0,0|2,0,0]=3 3118 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,1,0,0,0,0|1,0,2]=4 3119 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,1,0,0,0,0|1,0,2]=4 3120 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,1,0,0,0,0|1,0,0]=2 3121 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,1,0,0,0,0|1,0,0]=2 3122 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,1,0,0,0,0|1,0,0]=2 3123 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,1,0,0,0,0|2,0,0]=3 3124 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,1,0,0,0,0|2,0,0]=3 3125 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [0,1,0,0,0,0|3,0,0]=4 3126 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [0,1,0,0,0,0|3,0,0]=4 3127 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [0,1,0,0,0,0|3,0,0]=4 3128 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [0,1,0,0,0,0|3,0,0]=4 3129 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [0,1,0,0,0,0|3,0,0]=4 3130 B12R0.1 CCCCOCSCC(=O)NCO 62a_100000185155_100011995733 [0,1,0,0,0,0|3,0,0]=4 3131 B12R0.1 CCCCOCSCC(=O)NCO 62a_100011995733_100000185155 [0,1,0,0,0,0|3,0,0]=4 3132 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,1,0,0,0,0|2,0,0]=3 3133 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,1,0,0,0,0|2,0,0]=3 3134 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,1,0,0,0,0|1,0,2]=4 3135 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,1,0,0,0,0|1,0,2]=4 3136 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,1,0,0,0,0|1,0,0]=2 3137 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,1,0,0,0,0|1,0,0]=2 3138 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,1,0,0,0,0|3,0,0]=4 3139 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,1,0,0,0,0|3,0,0]=4 3140 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,1,0,0,0,0|3,0,0]=4 3141 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,1,0,0,0,0|3,0,0]=4 3142 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,1,0,0,0,0|3,0,0]=4 3143 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,1,0,0,0,0|2,0,0]=3 3144 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,1,0,0,0,0|2,0,0]=3 3145 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,1,0,0,0,0|2,0,0]=3 3146 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,1,0,0,0,0|2,0,0]=3 3147 B12R0.1 CCCCSCCNC(=O)CSC 11a_100025743550_100000184570 [0,1,0,0,0,0|2,1,0]=4 3148 B12R0.1 CCCCSCCNC(=O)CSC 1626a_100025743550_100000184570 [0,1,0,0,0,0|2,1,0]=4 3149 B12R0.1 CCCCSCCNC(=O)CSC 240690a_100025743550_100000184570 [0,1,0,0,0,0|2,1,0]=4 3150 B12R0.1 CCCCSCCNC(=O)CSC 527a_100025743550_100000184570 [0,1,0,0,0,0|2,1,0]=4 3151 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,1,0,0,0,0|3,0,0]=4 3152 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,1,0,0,0,0|3,0,0]=4 3153 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,1,0,0,0,0|3,0,0]=4 3154 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,1,0,0,0,0|3,0,0]=4 3155 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,1,0,0,0,0|3,0,0]=4 3156 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,1,0,0,0,0|3,0,0]=4 3157 B12R0.1 CCCCSCCNC(=O)NNC 273464a_100025743550_100016993582 [0,1,0,0,0,0|3,0,0]=4 3158 B12R0.1 CCCCSCCNC(=O)NNC 512a_100016993582_100025743550 [0,1,0,0,0,0|3,0,0]=4 3159 B12R0.1 CCCCSCCNC(=O)NNC 512a_100025743550_100016993582 [0,1,0,0,0,0|3,0,0]=4 3160 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,1,0,0,0,0|2,0,0]=3 3161 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,1,0,0,0,0|1,0,0]=2 3162 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,1,0,0,0,0|3,0,0]=4 3163 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,1,0,0,0,0|3,0,0]=4 3164 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,1,0,0,0,0|3,0,0]=4 3165 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,1,0,0,0,0|3,0,0]=4 3166 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,1,0,0,0,0|2,0,0]=3 3167 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,1,0,0,0,0|2,0,0]=3 3168 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,1,0,0,0,0|2,0,0]=3 3169 B12R0.1 CCCOCCCNC(=O)CSC 1626a_100011217757_100000184570 [0,1,0,0,0,0|2,1,0]=4 3170 B12R0.1 CCCOCCCNC(=O)CSC 240690a_100011217757_100000184570 [0,1,0,0,0,0|2,1,0]=4 3171 B12R0.1 CCCOCCCNC(=O)CSC 527a_100011217757_100000184570 [0,1,0,0,0,0|2,1,0]=4 3172 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,1,0,0,0,0|3,0,0]=4 3173 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,1,0,0,0,0|3,0,0]=4 3174 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,1,0,0,0,0|3,0,0]=4 3175 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,1,0,0,0,0|3,0,0]=4 3176 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,1,0,0,0,0|3,0,0]=4 3177 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,1,0,0,0,0|3,0,0]=4 3178 B12R0.1 CCCOCCCNC(=O)NNC 273464a_100011217757_100016993582 [0,1,0,0,0,0|3,0,0]=4 3179 B12R0.1 CCCOCCCNC(=O)NNC 512a_100011217757_100016993582 [0,1,0,0,0,0|3,0,0]=4 3180 B12R0.1 CCCOCCCNC(=O)NNC 512a_100016993582_100011217757 [0,1,0,0,0,0|3,0,0]=4 3181 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,1,0,0,0,0|3,0,0]=4 3182 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [0,1,0,0,0,0|3,0,0]=4 3183 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [0,1,0,0,0,0|3,0,0]=4 3184 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [0,1,0,0,0,0|3,0,0]=4 3185 B12R0.1 CCCOCCNCC(=O)NCO 2230a_100161115042_100000185155 [0,1,0,0,0,0|3,0,0]=4 3186 B12R0.1 CCCOCCNCC(=O)NCO 34a_100161115042_100000185155 [0,1,0,0,0,0|3,0,0]=4 3187 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [0,1,0,0,0,0|2,0,0]=3 3188 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [0,1,0,0,0,0|2,0,0]=3 3189 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,1,0,0,0,0|3,0,0]=4 3190 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,1,0,0,0,0|3,0,0]=4 3191 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,1,0,0,0,0|3,0,0]=4 3192 B12R0.1 CCCOCCOCC(=O)NCO 34a_100000752267_100000185155 [0,1,0,0,0,0|3,0,0]=4 3193 B12R0.1 CCCOCCOCC(=O)NCO 7a_100000752267_100000185155 [0,1,0,0,0,0|3,0,0]=4 3194 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,1,0,0,0,0|2,0,0]=3 3195 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,1,0,0,0,0|2,0,0]=3 3196 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,1,0,0,0,0|2,0,0]=3 3197 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,1,0,0,0,0|3,0,0]=4 3198 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,1,0,0,0,0|3,0,0]=4 3199 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [0,1,0,0,0,0|3,0,0]=4 3200 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [0,1,0,0,0,0|3,0,0]=4 3201 B12R0.1 CCCOCCSCC(=O)NCO 62a_100000185155_100011215938 [0,1,0,0,0,0|3,0,0]=4 3202 B12R0.1 CCCOCCSCC(=O)NCO 62a_100011215938_100000185155 [0,1,0,0,0,0|3,0,0]=4 3203 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [0,1,0,0,0,0|2,0,0]=3 3204 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [0,1,0,0,0,0|2,0,0]=3 3205 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [0,1,0,0,0,0|2,0,0]=3 3206 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,1,0,0,0,0|1,0,0]=2 3207 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,1,0,0,0,0|1,0,0]=2 3208 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,1,0,0,0,0|3,0,0]=4 3209 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [0,1,0,0,0,0|3,0,0]=4 3210 B12R0.1 CCCSCCNCC(=O)NCO 2230a_100020603323_100000185155 [0,1,0,0,0,0|3,0,0]=4 3211 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [0,1,0,0,0,0|2,0,0]=3 3212 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,1,0,0,0,0|3,0,0]=4 3213 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,1,0,0,0,0|3,0,0]=4 3214 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,1,0,0,0,0|3,0,0]=4 3215 B12R0.1 CCCSCCOCC(=O)NCO 34a_200000230433_100000185155 [0,1,0,0,0,0|3,0,0]=4 3216 B12R0.1 CCCSCCOCC(=O)NCO 7a_200000230433_100000185155 [0,1,0,0,0,0|3,0,0]=4 3217 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,1,0,0,0,0|2,0,0]=3 3218 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,1,0,0,0,0|2,0,0]=3 3219 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,1,0,0,0,0|2,0,0]=3 3220 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,1,0,0,0,0|2,0,0]=3 3221 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,1,0,0,0,0|2,0,0]=3 3222 B12R0.1 CCNC(=O)CCNCCCCF 34a_100025743525_100000729493 [0,1,0,0,0,0|3,0,0]=4 3223 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [0,1,0,0,0,0|3,0,0]=4 3224 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [0,1,0,0,0,0|3,0,0]=4 3225 B12R0.1 CCNC(=O)CCNCCCOC 34a_100025743525_100000740836 [0,1,0,0,0,0|3,0,0]=4 3226 B12R0.1 CCNC(=O)CCNCCCSC 2230a_100000749238_100000737597 [0,1,0,0,0,0|3,0,0]=4 3227 B12R0.1 CCNC(=O)CCNCCOCC 2230a_102516460346_100000737597 [0,1,0,0,0,0|3,0,0]=4 3228 B12R0.1 CCNC(=O)CCNCCOCC 34a_100025743525_100000210147 [0,1,0,0,0,0|3,0,0]=4 3229 B12R0.1 CCNC(=O)CCNCCSCC 2230a_100000106463_100000737597 [0,1,0,0,0,0|3,0,0]=4 3230 B12R0.1 CCNC(=O)CCNCCSCC 34a_100025743525_100000757381 [0,1,0,0,0,0|3,0,0]=4 3231 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [0,1,0,0,0,0|3,0,0]=4 3232 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [0,1,0,0,0,0|3,0,0]=4 3233 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [0,1,0,0,0,0|3,0,0]=4 3234 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [0,1,0,0,0,0|3,0,0]=4 3235 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [0,1,0,0,0,0|3,0,0]=4 3236 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000729493_100000737597 [0,1,0,0,0,0|3,0,0]=4 3237 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000737597_100000729493 [0,1,0,0,0,0|3,0,0]=4 3238 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [0,1,0,0,0,0|3,0,0]=4 3239 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [0,1,0,0,0,0|3,0,0]=4 3240 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000709357_100000737597 [0,1,0,0,0,0|3,0,0]=4 3241 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000737597_100000709357 [0,1,0,0,0,0|3,0,0]=4 3242 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000210147_100000737597 [0,1,0,0,0,0|3,0,0]=4 3243 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000737597_100011215890 [0,1,0,0,0,0|3,0,0]=4 3244 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000737597_100000757381 [0,1,0,0,0,0|3,0,0]=4 3245 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000757381_100000737597 [0,1,0,0,0,0|3,0,0]=4 3246 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [0,1,0,0,0,0|3,0,0]=4 3247 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [0,1,0,0,0,0|3,0,0]=4 3248 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [0,1,0,0,0,0|3,0,0]=4 3249 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [0,1,0,0,0,0|3,0,0]=4 3250 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [0,1,0,0,0,0|3,0,0]=4 3251 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [0,1,0,0,0,0|3,0,0]=4 3252 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [0,1,0,0,0,0|3,0,0]=4 3253 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [0,1,0,0,0,0|3,0,0]=4 3254 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [0,1,0,0,0,0|3,0,0]=4 3255 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [0,1,0,0,0,0|3,0,0]=4 3256 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [0,1,0,0,0,0|3,0,0]=4 3257 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [0,1,0,0,0,0|3,0,0]=4 3258 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [0,1,0,0,0,0|3,0,0]=4 3259 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [0,1,0,0,0,0|3,0,0]=4 3260 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [0,1,0,0,0,0|3,0,0]=4 3261 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [0,1,0,0,0,0|3,0,0]=4 3262 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [0,1,0,0,0,0|3,0,0]=4 3263 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [0,1,0,0,0,0|3,0,0]=4 3264 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,1,0,0,0,0|3,0,0]=4 3265 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,1,0,0,0,0|3,0,0]=4 3266 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,1,0,0,0,0|3,0,0]=4 3267 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,1,0,0,0,0|3,0,0]=4 3268 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [0,1,0,0,0,0|3,0,0]=4 3269 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [0,1,0,0,0,0|3,0,0]=4 3270 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [0,1,0,0,0,0|3,0,0]=4 3271 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [0,1,0,0,0,0|3,0,0]=4 3272 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [0,1,0,0,0,0|3,0,0]=4 3273 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [0,1,0,0,0,0|3,0,0]=4 3274 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [0,1,0,0,0,0|3,0,0]=4 3275 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [0,1,0,0,0,0|3,0,0]=4 3276 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,1,0,0,0,0|3,0,0]=4 3277 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,1,0,0,0,0|3,0,0]=4 3278 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,1,0,0,0,0|3,0,0]=4 3279 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,1,0,0,0,0|3,0,0]=4 3280 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,1,0,0,0,0|3,0,0]=4 3281 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,1,0,0,0,0|3,0,0]=4 3282 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,1,0,0,0,0|3,0,0]=4 3283 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,1,0,0,0,0|3,0,0]=4 3284 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,1,0,0,0,0|3,0,0]=4 3285 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,1,0,0,0,0|3,0,0]=4 3286 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,1,0,0,0,0|3,0,0]=4 3287 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,1,0,0,0,0|1,0,0]=2 3288 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,1,0,0,0,0|2,0,0]=3 3289 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,1,0,0,0,0|1,0,0]=2 3290 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,1,0,0,0,0|1,0,0]=2 3291 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,1,0,0,0,0|1,0,0]=2 3292 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,1,0,0,0,0|1,0,0]=2 3293 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,1,0,0,0,0|1,0,0]=2 3294 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,1,0,0,0,0|1,0,0]=2 3295 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [0,1,0,0,0,0|2,0,0]=3 3296 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,1,0,0,0,0|1,0,0]=2 3297 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,1,0,0,0,0|1,0,0]=2 3298 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [0,1,0,0,0,0|2,0,0]=3 3299 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [0,1,0,0,0,0|2,0,0]=3 3300 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [0,1,0,0,0,0|2,0,0]=3 3301 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [0,1,0,0,0,0|2,0,0]=3 3302 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [0,1,0,0,0,0|2,0,0]=3 3303 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [0,1,0,0,0,0|2,0,0]=3 3304 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [0,1,0,0,0,0|2,0,0]=3 3305 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100000750268_100011215382 [0,1,0,0,0,0|2,0,1]=4 3306 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100011215382_100000750268 [0,1,0,0,0,0|2,0,1]=4 3307 B12R0.1 CCOC(=O)CCCCSCC=O 62a_100000750268_200015260668 [0,1,0,0,0,0|2,0,1]=4 3308 B12R0.1 CCOC(=O)CCCCSCC=O 62a_200015260668_100000750268 [0,1,0,0,0,0|2,0,1]=4 3309 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [0,1,0,0,0,0|2,0,0]=3 3310 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [0,1,0,0,0,0|2,0,0]=3 3311 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [0,1,0,0,0,0|2,0,0]=3 3312 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [0,1,0,0,0,0|2,0,0]=3 3313 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [0,1,0,0,0,0|2,0,0]=3 3314 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [0,1,0,0,0,0|2,0,0]=3 3315 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [0,1,0,0,0,0|2,0,0]=3 3316 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [0,1,0,0,0,0|2,0,0]=3 3317 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [0,1,0,0,0,0|2,0,0]=3 3318 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [0,1,0,0,0,0|2,0,0]=3 3319 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [0,1,0,0,0,0|2,0,0]=3 3320 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [0,1,0,0,0,0|2,0,0]=3 3321 B12R0.1 CCOC(=O)CCCOCCC#N 7a_100012001163_100000184422 [0,1,0,0,0,0|2,0,1]=4 3322 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [0,1,0,0,0,0|2,0,0]=3 3323 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [0,1,0,0,0,0|2,0,0]=3 3324 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [0,1,0,0,0,0|2,0,0]=3 3325 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [0,1,0,0,0,0|2,0,0]=3 3326 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [0,1,0,0,0,0|2,0,0]=3 3327 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,1,0,0,0,0|2,0,0]=3 3328 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [0,1,0,0,0,0|2,0,0]=3 3329 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [0,1,0,0,0,0|2,0,0]=3 3330 B12R0.1 CCOC(=O)CCCOCCON 34a_100000700252_100009991533 [0,1,0,0,0,0|3,0,0]=4 3331 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [0,1,0,0,0,0|2,0,0]=3 3332 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [0,1,0,0,0,0|2,0,0]=3 3333 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [0,1,0,0,0,0|2,0,0]=3 3334 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100009991533_100011215226 [0,1,0,0,0,0|2,0,1]=4 3335 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100011215226_100009991533 [0,1,0,0,0,0|2,0,1]=4 3336 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [0,1,0,0,0,0|2,0,0]=3 3337 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [0,1,0,0,0,0|2,0,0]=3 3338 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [0,1,0,0,0,0|2,0,0]=3 3339 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [0,1,0,0,0,0|2,0,0]=3 3340 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [0,1,0,0,0,0|2,0,0]=3 3341 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [0,1,0,0,0,0|2,0,0]=3 3342 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [0,1,0,0,0,0|2,0,0]=3 3343 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [0,1,0,0,0,0|2,0,0]=3 3344 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [0,1,0,0,0,0|2,0,0]=3 3345 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [0,1,0,0,0,0|2,0,0]=3 3346 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [0,1,0,0,0,0|2,0,0]=3 3347 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [0,1,0,0,0,0|2,0,0]=3 3348 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [0,1,0,0,0,0|2,0,0]=3 3349 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [0,1,0,0,0,0|2,0,0]=3 3350 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [0,1,0,0,0,0|2,0,0]=3 3351 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [0,1,0,0,0,0|2,0,0]=3 3352 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [0,1,0,0,0,0|2,0,0]=3 3353 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [0,1,0,0,0,0|2,0,0]=3 3354 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [0,1,0,0,0,0|2,0,0]=3 3355 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [0,1,0,0,0,0|2,0,0]=3 3356 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [0,1,0,0,0,0|2,0,0]=3 3357 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [0,1,0,0,0,0|2,0,0]=3 3358 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [0,1,0,0,0,0|2,0,0]=3 3359 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [0,1,0,0,0,0|2,0,0]=3 3360 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [0,1,0,0,0,0|2,0,0]=3 3361 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [0,1,0,0,0,0|2,0,0]=3 3362 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000687738_100000765890 [0,1,0,0,0,0|2,0,1]=4 3363 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000765890_100000687738 [0,1,0,0,0,0|2,0,1]=4 3364 B12R0.1 CCOC(=O)CCSCCCC=O 62a_100000765890_200011292268 [0,1,0,0,0,0|2,0,1]=4 3365 B12R0.1 CCOC(=O)CCSCCCC=O 62a_200011292268_100000765890 [0,1,0,0,0,0|2,0,1]=4 3366 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [0,1,0,0,0,0|2,0,0]=3 3367 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [0,1,0,0,0,0|2,0,0]=3 3368 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [0,1,0,0,0,0|2,0,0]=3 3369 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [0,1,0,0,0,0|2,0,0]=3 3370 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [0,1,0,0,0,0|2,0,0]=3 3371 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [0,1,0,0,0,0|2,0,0]=3 3372 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [0,1,0,0,0,0|2,0,0]=3 3373 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [0,1,0,0,0,0|2,0,0]=3 3374 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,1,0,0,0,0|2,0,0]=3 3375 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,1,0,0,0,0|2,0,0]=3 3376 B12R0.1 CCOC(=O)CNCCOCCO 2230a_100000211614_100000188475 [0,1,0,0,0,0|3,0,0]=4 3377 B12R0.1 CCOC(=O)CNCCOCCO 34a_100000211614_100000188475 [0,1,0,0,0,0|3,0,0]=4 3378 B12R0.1 CCOC(=O)CNCCSCCO 2230a_100011219999_100000188475 [0,1,0,0,0,0|3,0,0]=4 3379 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,1,0,0,0,0|2,0,0]=3 3380 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,1,0,0,0,0|2,0,0]=3 3381 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,1,0,0,0,0|2,0,0]=3 3382 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,1,0,0,0,0|2,0,0]=3 3383 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,1,0,0,0,0|2,0,0]=3 3384 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,1,0,0,0,0|2,0,0]=3 3385 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,1,0,0,0,0|2,0,0]=3 3386 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,1,0,0,0,0|2,0,0]=3 3387 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,1,0,0,0,0|2,0,0]=3 3388 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,1,0,0,0,0|2,0,0]=3 3389 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,1,0,0,0,0|2,0,0]=3 3390 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,1,0,0,0,0|2,0,0]=3 3391 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,1,0,0,0,0|2,0,0]=3 3392 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,1,0,0,0,0|2,0,0]=3 3393 B12R0.1 CCOC(=O)COCCCSCF 62a_100009893628_100015361967 [0,1,0,0,0,0|3,0,0]=4 3394 B12R0.1 CCOC(=O)COCCCSCF 62a_100015361967_100009893628 [0,1,0,0,0,0|3,0,0]=4 3395 B12R0.1 CCOC(=O)COCCNCCF 34a_100000724931_100000088970 [0,1,0,0,0,0|3,0,0]=4 3396 B12R0.1 CCOC(=O)COCCNCCO 2230a_100016997473_100000088970 [0,1,0,0,0,0|3,0,0]=4 3397 B12R0.1 CCOC(=O)COCCNCCO 34a_100016990907_100000088970 [0,1,0,0,0,0|3,0,0]=4 3398 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000211926_100000088970 [0,1,0,0,0,0|3,0,0]=4 3399 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000692535_100000188475 [0,1,0,0,0,0|3,0,0]=4 3400 B12R0.1 CCOC(=O)COCCOCCBr 7a_100000692535_100000188475 [0,1,0,0,0,0|3,0,0]=4 3401 B12R0.1 CCOC(=O)COCCOCCCl 34a_100011215305_100000188475 [0,1,0,0,0,0|3,0,0]=4 3402 B12R0.1 CCOC(=O)COCCOCCCl 7a_100011215305_100000188475 [0,1,0,0,0,0|3,0,0]=4 3403 B12R0.1 CCOC(=O)COCCOCCF 34a_200015357709_100000188475 [0,1,0,0,0,0|3,0,0]=4 3404 B12R0.1 CCOC(=O)COCCOCCF 7a_200015357709_100000188475 [0,1,0,0,0,0|3,0,0]=4 3405 B12R0.1 CCOC(=O)COCCOCCI 34a_100012149058_100000188475 [0,1,0,0,0,0|3,0,0]=4 3406 B12R0.1 CCOC(=O)COCCOCCI 7a_100012149058_100000188475 [0,1,0,0,0,0|3,0,0]=4 3407 B12R0.1 CCOC(=O)COCCOCCN 34a_100000210304_100000088970 [0,1,0,0,0,0|3,0,0]=4 3408 B12R0.1 CCOC(=O)COCCOCCN 34a_100000211614_100000188475 [0,1,0,0,0,0|3,0,0]=4 3409 B12R0.1 CCOC(=O)COCCSCCF 62a_100000088970_100011217306 [0,1,0,0,0,0|3,0,0]=4 3410 B12R0.1 CCOC(=O)COCCSCCF 62a_100011217306_100000088970 [0,1,0,0,0,0|3,0,0]=4 3411 B12R0.1 CCOC(=O)COCCSCCO 62a_100000088970_100000211926 [0,1,0,0,0,0|3,0,0]=4 3412 B12R0.1 CCOC(=O)COCCSCCO 62a_100000211926_100000088970 [0,1,0,0,0,0|3,0,0]=4 3413 B12R0.1 CCOC(=O)COCCSCOC 62a_100000088970_100000766300 [0,1,0,0,0,0|3,0,0]=4 3414 B12R0.1 CCOC(=O)COCCSCOC 62a_100000766300_100000088970 [0,1,0,0,0,0|3,0,0]=4 3415 B12R0.1 CCOC(=O)COCCSCSC 62a_100000088970_100011218213 [0,1,0,0,0,0|3,0,0]=4 3416 B12R0.1 CCOC(=O)COCCSCSC 62a_100011218213_100000088970 [0,1,0,0,0,0|3,0,0]=4 3417 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100000188475_100000211819 [0,1,0,0,0,0|2,0,1]=4 3418 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100011219923_100000188475 [0,1,0,0,0,0|2,0,1]=4 3419 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [0,1,0,0,0,0|2,0,1]=4 3420 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [0,1,0,0,0,0|2,0,1]=4 3421 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [0,1,0,0,0,0|2,0,0]=3 3422 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [0,1,0,0,0,0|2,0,0]=3 3423 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,1,0,0,0,0|2,0,0]=3 3424 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,1,0,0,0,0|2,0,0]=3 3425 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [0,1,0,0,0,0|2,0,0]=3 3426 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [0,1,0,0,0,0|2,0,0]=3 3427 B12R0.1 CCOC(=O)CSCCOCCF 7a_200000230590_100011217306 [0,1,0,0,0,0|3,0,0]=4 3428 B12R0.1 CCOC(=O)CSCCOCCO 62a_100000188475_100011215305 [0,1,0,0,0,0|3,0,0]=4 3429 B12R0.1 CCOC(=O)CSCCOCCO 62a_100011215305_100000188475 [0,1,0,0,0,0|3,0,0]=4 3430 B12R0.1 CCOC(=O)CSCCOCCO 7a_200000230590_100000211926 [0,1,0,0,0,0|3,0,0]=4 3431 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000188475_100000231047 [0,1,0,0,0,0|3,0,0]=4 3432 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000231047_100000188475 [0,1,0,0,0,0|3,0,0]=4 3433 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [0,1,0,0,0,0|3,0,0]=4 3434 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [0,1,0,0,0,0|3,0,0]=4 3435 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [0,1,0,0,0,0|3,0,0]=4 3436 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [0,1,0,0,0,0|3,0,0]=4 3437 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [0,1,0,0,0,0|3,0,0]=4 3438 B12R0.1 CCOC(=O)NCCSCCCF 62a_100011934791_200011445536 [0,1,0,0,0,0|3,0,0]=4 3439 B12R0.1 CCOC(=O)NCCSCCCO 62a_100011215043_200011445536 [0,1,0,0,0,0|3,0,0]=4 3440 B12R0.1 CCOC(=O)NCCSCCOC 62a_100000233755_200011445536 [0,1,0,0,0,0|3,0,0]=4 3441 B12R0.1 CCOC(=O)NCCSCCSC 62a_100000212216_200011445536 [0,1,0,0,0,0|3,0,0]=4 3442 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [0,1,0,0,0,0|3,0,0]=4 3443 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [0,1,0,0,0,0|3,0,0]=4 3444 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [0,1,0,0,0,0|3,0,0]=4 3445 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,1,0,0,0,0|3,0,0]=4 3446 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,1,0,0,0,0|1,0,0]=2 3447 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,1,0,0,0,0|1,0,0]=2 3448 B12R0.1 CCOCCCNCC(=O)NCO 2230a_100000210961_100000185155 [0,1,0,0,0,0|3,0,0]=4 3449 B12R0.1 CCOCCCNCC(=O)NCO 34a_100000210961_100000185155 [0,1,0,0,0,0|3,0,0]=4 3450 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [0,1,0,0,0,0|2,0,0]=3 3451 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [0,1,0,0,0,0|2,0,0]=3 3452 B12R0.1 CCOCCCOCC(=O)NCO 34a_100000757476_100000185155 [0,1,0,0,0,0|3,0,0]=4 3453 B12R0.1 CCOCCCOCC(=O)NCO 7a_100000757476_100000185155 [0,1,0,0,0,0|3,0,0]=4 3454 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,1,0,0,0,0|2,0,0]=3 3455 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,1,0,0,0,0|2,0,0]=3 3456 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,1,0,0,0,0|2,0,0]=3 3457 B12R0.1 CCOCCCSCC(=O)NCO 62a_100000185155_100012232248 [0,1,0,0,0,0|3,0,0]=4 3458 B12R0.1 CCOCCCSCC(=O)NCO 62a_100012232248_100000185155 [0,1,0,0,0,0|3,0,0]=4 3459 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [0,1,0,0,0,0|2,0,0]=3 3460 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [0,1,0,0,0,0|2,0,0]=3 3461 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [0,1,0,0,0,0|2,0,0]=3 3462 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [0,1,0,0,0,0|2,0,0]=3 3463 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,1,0,0,0,0|3,0,0]=4 3464 B12R0.1 CCOCCOCCC(=O)COC 1458a_100000210968_100011211534 [0,1,0,0,0,0|2,0,0]=3 3465 B12R0.1 CCOCCOCCC(=O)CSC 1458a_100000184570_100011211534 [0,1,0,0,0,0|2,1,0]=4 3466 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [0,1,0,0,0,0|2,0,0]=3 3467 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [0,1,0,0,0,0|2,0,0]=3 3468 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [0,1,0,0,0,0|2,0,0]=3 3469 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [0,1,0,0,0,0|2,0,0]=3 3470 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,1,0,0,0,0|3,0,0]=4 3471 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [0,1,0,0,0,0|2,0,0]=3 3472 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [0,1,0,0,0,0|2,0,0]=3 3473 B12R0.1 CCOCSCCNC(=O)OCC 62a_100000739092_200011445536 [0,1,0,0,0,0|3,0,0]=4 3474 B12R0.1 CCSCCCOCC(=O)NCO 34a_100011216438_100000185155 [0,1,0,0,0,0|3,0,0]=4 3475 B12R0.1 CCSCCCOCC(=O)NCO 7a_100011216438_100000185155 [0,1,0,0,0,0|3,0,0]=4 3476 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [0,1,0,0,0,0|2,0,0]=3 3477 B12R0.1 CNNC(=O)NCCCCCCO 273464a_100000686447_100016993582 [0,1,0,0,0,0|3,0,0]=4 3478 B12R0.1 CNNC(=O)NCCCCCCO 512a_100000686447_100016993582 [0,1,0,0,0,0|3,0,0]=4 3479 B12R0.1 CNNC(=O)NCCCCCCO 512a_100016993582_100000686447 [0,1,0,0,0,0|3,0,0]=4 3480 B12R0.1 CNNC(=O)NCCCCCOC 273464a_100000747528_100016993582 [0,1,0,0,0,0|3,0,0]=4 3481 B12R0.1 CNNC(=O)NCCCCCOC 512a_100000747528_100016993582 [0,1,0,0,0,0|3,0,0]=4 3482 B12R0.1 CNNC(=O)NCCCCCOC 512a_100016993582_100000747528 [0,1,0,0,0,0|3,0,0]=4 3483 B12R0.1 COCC(=O)CCCCCCC#N 1458a_100000210968_100009813337 [0,1,0,0,0,0|1,0,1]=3 3484 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,1,0,0,0,0|1,0,0]=2 3485 B12R0.1 COCC(=O)NCCCCCC#N 11a_100000061152_100000210968 [0,1,0,0,0,0|2,0,1]=4 3486 B12R0.1 COCC(=O)NCCCCCC#N 1626a_100000061152_100000210968 [0,1,0,0,0,0|2,0,1]=4 3487 B12R0.1 COCC(=O)NCCCCCC#N 240690a_100000061152_100000210968 [0,1,0,0,0,0|2,0,1]=4 3488 B12R0.1 COCC(=O)NCCCCCC#N 527a_100000061152_100000210968 [0,1,0,0,0,0|2,0,1]=4 3489 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,1,0,0,0,0|2,0,0]=3 3490 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,1,0,0,0,0|2,0,0]=3 3491 B12R0.1 COCCCCCCC(=O)C=CBr 1458a_100016273825_100011998445 [0,1,0,0,0,0|2,0,1]=4 3492 B12R0.1 COCCCCCCC(=O)C=CCl 1458a_200016279998_100011998445 [0,1,0,0,0,0|2,0,1]=4 3493 B12R0.1 COCCCCCCC(=O)C=CI 1458a_100016256311_100011998445 [0,1,0,0,0,0|2,0,1]=4 3494 B12R0.1 COCCCCCCC(=O)CC#N 1458a_100051588842_100011998445 [0,1,0,0,0,0|2,0,1]=4 3495 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,1,0,0,0,0|2,0,0]=3 3496 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,1,0,0,0,0|1,0,0]=2 3497 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,1,0,0,0,0|1,1,0]=3 3498 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,1,0,0,0,0|3,0,0]=4 3499 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,1,0,0,0,0|2,0,0]=3 3500 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,1,0,0,0,0|2,0,0]=3 3501 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,1,0,0,0,0|2,0,0]=3 3502 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,1,0,0,0,0|2,0,0]=3 3503 B12R0.1 COCCCCCNC(=O)CSC 11a_100000747528_100000184570 [0,1,0,0,0,0|2,1,0]=4 3504 B12R0.1 COCCCCCNC(=O)CSC 1626a_100000747528_100000184570 [0,1,0,0,0,0|2,1,0]=4 3505 B12R0.1 COCCCCCNC(=O)CSC 240690a_100000747528_100000184570 [0,1,0,0,0,0|2,1,0]=4 3506 B12R0.1 COCCCCCNC(=O)CSC 527a_100000747528_100000184570 [0,1,0,0,0,0|2,1,0]=4 3507 B12R0.1 COCCCCOCC(=O)NCO 34a_100000740925_100000185155 [0,1,0,0,0,0|3,0,0]=4 3508 B12R0.1 COCCCCSCC(=O)NCO 62a_100000185155_100000730899 [0,1,0,0,0,0|3,0,0]=4 3509 B12R0.1 COCCCCSCC(=O)NCO 62a_100000730899_100000185155 [0,1,0,0,0,0|3,0,0]=4 3510 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,1,0,0,0,0|3,0,0]=4 3511 B12R0.1 COCCOCCCC(=O)COC 1458a_100000210968_100011216529 [0,1,0,0,0,0|2,0,0]=3 3512 B12R0.1 COCCOCCCC(=O)CSC 1458a_100000184570_100011216529 [0,1,0,0,0,0|2,1,0]=4 3513 B12R0.1 COCCOCCNC(=O)COC 11a_100000745349_100000210968 [0,1,0,0,0,0|3,0,0]=4 3514 B12R0.1 COCCOCCNC(=O)COC 1626a_100000745349_100000210968 [0,1,0,0,0,0|3,0,0]=4 3515 B12R0.1 COCCOCCNC(=O)COC 240690a_100000745349_100000210968 [0,1,0,0,0,0|3,0,0]=4 3516 B12R0.1 COCCOCCNC(=O)COC 527a_100000745349_100000210968 [0,1,0,0,0,0|3,0,0]=4 3517 B12R0.1 CSCC(=O)CCCCCCC#N 1458a_100000184570_100009813337 [0,1,0,0,0,0|1,1,1]=4 3518 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,1,0,0,0,0|1,1,0]=3 3519 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [0,1,0,0,0,0|2,1,0]=4 3520 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [0,1,0,0,0,0|2,1,0]=4 3521 B12R0.1 CSCCCCOCC(=O)NCO 34a_100011217163_100000185155 [0,1,0,0,0,0|3,0,0]=4 3522 B12R0.1 CSCCCCOCC(=O)NCO 7a_100011217163_100000185155 [0,1,0,0,0,0|3,0,0]=4 3523 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100011219782_100011214920 [0,1,0,0,0,0|2,0,1]=4 3524 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100051588842_100000760002 [0,1,0,0,0,0|2,0,1]=4 3525 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,1,0,0,0,0|2,0,1]=4 3526 B12R0.1 NCCCCCOCC(=O)NCO 34a_100000762737_100000185155 [0,1,0,0,0,0|3,0,0]=4 3527 B12R0.1 O=C(C=CBr)CCCCCCCO 1458a_100016273825_100000760002 [0,1,0,0,0,0|2,0,1]=4 3528 B12R0.1 O=C(C=CCl)CCCCCCCO 1458a_200016279998_100000760002 [0,1,0,0,0,0|2,0,1]=4 3529 B12R0.1 O=C(C=CI)CCCCCCCO 1458a_100016256311_100000760002 [0,1,0,0,0,0|2,0,1]=4 3530 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,1,0,0,0,0|2,0,0]=3 3531 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,1,0,0,0,0|2,0,0]=3 3532 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,1,0,0,0,0|2,0,0]=3 3533 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,1,0,0,0,0|3,0,0]=4 3534 B12R0.1 O=C(CNCCCCCO)NCO 2230a_100000762737_100000185155 [0,1,0,0,0,0|3,0,0]=4 3535 B12R0.1 O=C(CNCCCCCO)NCO 34a_100000762737_100000185155 [0,1,0,0,0,0|3,0,0]=4 3536 B12R0.1 O=C(COCCCCCBr)NCO 34a_100000746331_100000185155 [0,1,0,0,0,0|3,0,0]=4 3537 B12R0.1 O=C(COCCCCCBr)NCO 7a_100000746331_100000185155 [0,1,0,0,0,0|3,0,0]=4 3538 B12R0.1 O=C(COCCCCCCl)NCO 34a_100000746330_100000185155 [0,1,0,0,0,0|3,0,0]=4 3539 B12R0.1 O=C(COCCCCCCl)NCO 7a_100000746330_100000185155 [0,1,0,0,0,0|3,0,0]=4 3540 B12R0.1 O=C(COCCCCCI)NCO 34a_200012148887_100000185155 [0,1,0,0,0,0|3,0,0]=4 3541 B12R0.1 O=C(COCCCCCI)NCO 7a_200012148887_100000185155 [0,1,0,0,0,0|3,0,0]=4 3542 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000185155_100000729378 [0,1,0,0,0,0|3,0,0]=4 3543 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000729378_100000185155 [0,1,0,0,0,0|3,0,0]=4 3544 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000185155_100000746330 [0,1,0,0,0,0|3,0,0]=4 3545 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000746330_100000185155 [0,1,0,0,0,0|3,0,0]=4 3546 B12R0.49 C#CC(=O)C(C)CCCCCCC 1458a_100000211873_200011218727 [0,1,0,0,0,0|1,0,1]=3 3547 B12R0.49 C#CCCCCNC(C)C(=O)OC 2230a_100000706060_100000211248 [0,1,0,0,0,0|1,0,2]=4 3548 B12R0.49 C#CCCCCNC(C)C(=O)OC 34a_100000706060_100000211248 [0,1,0,0,0,0|1,0,2]=4 3549 B12R0.49 C#CCCCCOC(C)C(=O)OC 34a_100000766709_100000211248 [0,1,0,0,0,0|1,0,2]=4 3550 B12R0.49 C#CCCCCOC(C)C(=O)OC 34a_100011215400_100010269958 [0,1,0,0,0,0|1,0,2]=4 3551 B12R0.49 C#CCCCCOC(C)C(=O)OC 7a_100000766709_100000211248 [0,1,0,0,0,0|1,0,2]=4 3552 B12R0.49 C#CCCCCSC(C)C(=O)OC 62a_100000211248_100010269958 [0,1,0,0,0,0|1,0,2]=4 3553 B12R0.49 C#CCCCCSC(C)C(=O)OC 62a_100010269958_100000211248 [0,1,0,0,0,0|1,0,2]=4 3554 B12R0.49 C#CCCCNCC(C)C(=O)OC 34a_100000718082_100000698445 [0,1,0,0,0,0|1,0,2]=4 3555 B12R0.49 C#CCCCOCC(C)C(=O)OC 34a_100000215630_100000698445 [0,1,0,0,0,0|1,0,2]=4 3556 B12R0.49 C#CCCCOCC(C)C(=O)OC 34a_100000749362_100000695029 [0,1,0,0,0,0|1,0,2]=4 3557 B12R0.49 C#CCCCOCC(C)C(=O)OC 7a_100000749362_100011215417 [0,1,0,0,0,0|1,0,2]=4 3558 B12R0.49 C#CCCCOCC(F)C(=O)OC 34a_200009849844_100000695029 [0,1,0,0,0,0|1,0,2]=4 3559 B12R0.49 C#CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000695029 [0,1,0,0,0,0|1,0,2]=4 3560 B12R0.49 C#CCCCSCC(C)C(=O)OC 62a_100000698445_100011215417 [0,1,0,0,0,0|1,0,2]=4 3561 B12R0.49 C#CCCCSCC(C)C(=O)OC 62a_100011215417_100000698445 [0,1,0,0,0,0|1,0,2]=4 3562 B12R0.49 C#CCCNCCC(C)C(=O)OC 34a_100000755551_100000034942 [0,1,0,0,0,0|1,0,2]=4 3563 B12R0.49 C#CCCOCCC(C)C(=O)OC 34a_100011215631_100000034942 [0,1,0,0,0,0|1,0,2]=4 3564 B12R0.49 C#CCCSCCC(C)C(=O)OC 62a_100000034942_100000688953 [0,1,0,0,0,0|1,0,2]=4 3565 B12R0.49 C#CCCSCCC(C)C(=O)OC 62a_100000688953_100000034942 [0,1,0,0,0,0|1,0,2]=4 3566 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [0,1,0,0,0,0|2,0,1]=4 3567 B12R0.49 C/C=C(\C)/C(C)NCCCCCC 269862a_100000210581_100020675665 [0,1,0,0,0,0|3,0,0]=4 3568 B12R0.49 C/C=C/CCOCC(C)C(=O)OC 34a_100016278192_100000698445 [0,1,0,0,0,0|1,0,2]=4 3569 B12R0.49 C/C=C/COCCC(C)C(=O)OC 34a_100016270725_100000034942 [0,1,0,0,0,0|1,0,2]=4 3570 B12R0.49 C/C=C/CSCCC(C)C(=O)OC 62a_100000034942_100102629194 [0,1,0,0,0,0|1,0,2]=4 3571 B12R0.49 C/C=C/CSCCC(C)C(=O)OC 62a_100102629194_100000034942 [0,1,0,0,0,0|1,0,2]=4 3572 B12R0.49 C=C(CNCCCCO)C(=O)OC 34a_100000750430_100009813391 [0,1,0,0,0,0|2,0,1]=4 3573 B12R0.49 C=C(CNCCCOC)C(=O)OC 34a_100150723488_100009813391 [0,1,0,0,0,0|2,0,1]=4 3574 B12R0.49 C=C(CNCCOCC)C(=O)OC 34a_102516460346_100009813391 [0,1,0,0,0,0|2,0,1]=4 3575 B12R0.49 C=C(COCCCCBr)C(=O)OC 34a_100011216708_100009813391 [0,1,0,0,0,0|2,0,1]=4 3576 B12R0.49 C=C(COCCCCC)C(=O)OC 34a_100000210253_100009813391 [0,1,0,0,0,0|1,0,1]=3 3577 B12R0.49 C=C(COCCCCCl)C(=O)OC 34a_100000210776_100009813391 [0,1,0,0,0,0|2,0,1]=4 3578 B12R0.49 C=C(COCCCCF)C(=O)OC 34a_100011995726_100009813391 [0,1,0,0,0,0|2,0,1]=4 3579 B12R0.49 C=C(COCCCCI)C(=O)OC 34a_200012148704_100009813391 [0,1,0,0,0,0|2,0,1]=4 3580 B12R0.49 C=C(COCCCCN)C(=O)OC 34a_100000750430_100009813391 [0,1,0,0,0,0|2,0,1]=4 3581 B12R0.49 C=C(COCCCNC)C(=O)OC 34a_100000213112_100009813391 [0,1,0,0,0,0|2,0,1]=4 3582 B12R0.49 C=C(COCCCOC)C(=O)OC 34a_100000740835_100009813391 [0,1,0,0,0,0|2,0,1]=4 3583 B12R0.49 C=C(COCCCSC)C(=O)OC 34a_100000690336_100009813391 [0,1,0,0,0,0|2,0,1]=4 3584 B12R0.49 C=C(COCCOCC)C(=O)OC 34a_100000210136_100009813391 [0,1,0,0,0,0|2,0,1]=4 3585 B12R0.49 C=C(COCCSCC)C(=O)OC 34a_100000212035_100009813391 [0,1,0,0,0,0|2,0,1]=4 3586 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100000210326_100009813391 [0,1,0,0,0,0|1,0,1]=3 3587 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100009813391_100000210326 [0,1,0,0,0,0|1,0,1]=3 3588 B12R0.49 C=C(CSCCCCF)C(=O)OC 62a_100000729493_100009813391 [0,1,0,0,0,0|2,0,1]=4 3589 B12R0.49 C=C(CSCCCCF)C(=O)OC 62a_100009813391_100000729493 [0,1,0,0,0,0|2,0,1]=4 3590 B12R0.49 C=C(CSCCCCO)C(=O)OC 62a_100000210776_100009813391 [0,1,0,0,0,0|2,0,1]=4 3591 B12R0.49 C=C(CSCCCCO)C(=O)OC 62a_100009813391_100000210776 [0,1,0,0,0,0|2,0,1]=4 3592 B12R0.49 C=C(CSCCCOC)C(=O)OC 62a_100000709357_100009813391 [0,1,0,0,0,0|2,0,1]=4 3593 B12R0.49 C=C(CSCCCOC)C(=O)OC 62a_100009813391_100000709357 [0,1,0,0,0,0|2,0,1]=4 3594 B12R0.49 C=C(CSCCOCC)C(=O)OC 62a_100000210147_100009813391 [0,1,0,0,0,0|2,0,1]=4 3595 B12R0.49 C=C(CSCCOCC)C(=O)OC 62a_100009813391_100011215890 [0,1,0,0,0,0|2,0,1]=4 3596 B12R0.49 C=C(CSCCSCC)C(=O)OC 62a_100000757381_100009813391 [0,1,0,0,0,0|2,0,1]=4 3597 B12R0.49 C=C(CSCCSCC)C(=O)OC 62a_100009813391_100000757381 [0,1,0,0,0,0|2,0,1]=4 3598 B12R0.49 C=CC(=O)C(C)CCCCCCC 1458a_100000185746_200011218727 [0,1,0,0,0,0|1,0,1]=3 3599 B12R0.49 C=CC(=O)N(C)CCCCCCC 1626a_100000228206_100000185746 [0,1,0,0,0,0|2,0,1]=4 3600 B12R0.49 C=CC(=O)N(C)CCCCCCC 240690a_100000228206_200121576911 [0,1,0,0,0,0|2,0,1]=4 3601 B12R0.49 C=CCCCCNC(C)C(=O)OC 2230a_100000703577_100000211248 [0,1,0,0,0,0|1,0,2]=4 3602 B12R0.49 C=CCCCCNC(C)C(=O)OC 34a_100000703577_100000211248 [0,1,0,0,0,0|1,0,2]=4 3603 B12R0.49 C=CCCCCOC(C)C(=O)OC 34a_100000766645_100000211248 [0,1,0,0,0,0|1,0,2]=4 3604 B12R0.49 C=CCCCCOC(C)C(=O)OC 34a_100011215400_100011215482 [0,1,0,0,0,0|1,0,2]=4 3605 B12R0.49 C=CCCCCOC(C)C(=O)OC 7a_100000766645_100000211248 [0,1,0,0,0,0|1,0,2]=4 3606 B12R0.49 C=CCCCCSC(C)C(=O)OC 62a_100000211248_100011215482 [0,1,0,0,0,0|1,0,2]=4 3607 B12R0.49 C=CCCCCSC(C)C(=O)OC 62a_100011215482_100000211248 [0,1,0,0,0,0|1,0,2]=4 3608 B12R0.49 C=CCCCNCC(C)C(=O)OC 34a_100000700776_100000698445 [0,1,0,0,0,0|1,0,2]=4 3609 B12R0.49 C=CCCCOCC(C)C(=O)OC 34a_100000749362_100000757094 [0,1,0,0,0,0|1,0,2]=4 3610 B12R0.49 C=CCCCOCC(C)C(=O)OC 34a_100000758997_100000698445 [0,1,0,0,0,0|1,0,2]=4 3611 B12R0.49 C=CCCCOCC(C)C(=O)OC 7a_100000749362_100000757094 [0,1,0,0,0,0|1,0,2]=4 3612 B12R0.49 C=CCCCOCC(F)C(=O)OC 34a_200009849844_100000757094 [0,1,0,0,0,0|1,0,2]=4 3613 B12R0.49 C=CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000757094 [0,1,0,0,0,0|1,0,2]=4 3614 B12R0.49 C=CCCCSCC(C)C(=O)OC 62a_100000698445_100000757094 [0,1,0,0,0,0|1,0,2]=4 3615 B12R0.49 C=CCCCSCC(C)C(=O)OC 62a_100011713584_100000698445 [0,1,0,0,0,0|1,0,2]=4 3616 B12R0.49 C=CCCNCCC(C)C(=O)OC 2230a_100015191253_100000034942 [0,1,0,0,0,0|1,0,2]=4 3617 B12R0.49 C=CCCOCCC(C)C(=O)OC 34a_100011205117_100000034942 [0,1,0,0,0,0|1,0,2]=4 3618 B12R0.49 C=CCCSCCC(C)C(=O)OC 62a_100000034942_100000754431 [0,1,0,0,0,0|1,0,2]=4 3619 B12R0.49 C=CCCSCCC(C)C(=O)OC 62a_100000754431_100000034942 [0,1,0,0,0,0|1,0,2]=4 3620 B12R0.49 CC#CCCOCC(C)C(=O)OC 34a_100000750427_100000698445 [0,1,0,0,0,0|1,0,2]=4 3621 B12R0.49 CC#CCNCCC(C)C(=O)OC 2230a_100000685387_100000034942 [0,1,0,0,0,0|1,0,2]=4 3622 B12R0.49 CC#CCNCCC(C)C(=O)OC 34a_100000685387_100000034942 [0,1,0,0,0,0|1,0,2]=4 3623 B12R0.49 CC#CCOCCC(C)C(=O)OC 34a_100000761923_100000034942 [0,1,0,0,0,0|1,0,2]=4 3624 B12R0.49 CC#CCSCCC(C)C(=O)OC 62a_100000034942_100000748600 [0,1,0,0,0,0|1,0,2]=4 3625 B12R0.49 CC#CCSCCC(C)C(=O)OC 62a_100000748600_100000034942 [0,1,0,0,0,0|1,0,2]=4 3626 B12R0.49 CC/C=C\CCOC(C)C(=O)OC 34a_100011215400_100015370543 [0,1,0,0,0,0|1,0,2]=4 3627 B12R0.49 CC/C=C\CCOC(C)C(=O)OC 34a_100016288707_100000211248 [0,1,0,0,0,0|1,0,2]=4 3628 B12R0.49 CC/C=C\CCOC(C)C(=O)OC 7a_100016288707_100000211248 [0,1,0,0,0,0|1,0,2]=4 3629 B12R0.49 CC/C=C\CCSC(C)C(=O)OC 62a_100000211248_100015370543 [0,1,0,0,0,0|1,0,2]=4 3630 B12R0.49 CC/C=C\CCSC(C)C(=O)OC 62a_100015370543_100000211248 [0,1,0,0,0,0|1,0,2]=4 3631 B12R0.49 CC/C=C\COCC(C)C(=O)OC 34a_100000749362_100103147603 [0,1,0,0,0,0|1,0,2]=4 3632 B12R0.49 CC/C=C\COCC(C)C(=O)OC 34a_100016268518_100000698445 [0,1,0,0,0,0|1,0,2]=4 3633 B12R0.49 CC/C=C\COCC(C)C(=O)OC 7a_100000749362_100103147603 [0,1,0,0,0,0|1,0,2]=4 3634 B12R0.49 CC/C=C\COCC(F)C(=O)OC 34a_200009849844_100103147603 [0,1,0,0,0,0|1,0,2]=4 3635 B12R0.49 CC/C=C\COC[C@@H](N)C(=O)OC 34a_100000003586_100103147603 [0,1,0,0,0,0|1,0,2]=4 3636 B12R0.49 CC/C=C\CSCC(C)C(=O)OC 62a_100000698445_100103147603 [0,1,0,0,0,0|1,0,2]=4 3637 B12R0.49 CC/C=C\CSCC(C)C(=O)OC 62a_100103147603_100000698445 [0,1,0,0,0,0|1,0,2]=4 3638 B12R0.49 CC=CCCCOC(C)C(=O)OC 34a_100020645299_100000211248 [0,1,0,0,0,0|1,0,2]=4 3639 B12R0.49 CC=CCSCCC(C)C(=O)OC 62a_100000034942_100000070051 [0,1,0,0,0,0|1,0,2]=4 3640 B12R0.49 CC=CCSCCC(C)C(=O)OC 62a_100000070051_100000034942 [0,1,0,0,0,0|1,0,2]=4 3641 B12R0.49 CCC#CCCOC(C)C(=O)OC 34a_100000036655_100000211248 [0,1,0,0,0,0|1,0,2]=4 3642 B12R0.49 CCC#CCCOC(C)C(=O)OC 7a_100000036655_100000211248 [0,1,0,0,0,0|1,0,2]=4 3643 B12R0.49 CCC#CCOCC(C)C(=O)OC 34a_100000032950_100000698445 [0,1,0,0,0,0|1,0,2]=4 3644 B12R0.49 CCC#CCOCC(C)C(=O)OC 34a_100000749362_100009813939 [0,1,0,0,0,0|1,0,2]=4 3645 B12R0.49 CCC#CCOCC(C)C(=O)OC 7a_100000749362_100009813939 [0,1,0,0,0,0|1,0,2]=4 3646 B12R0.49 CCC#CCOCC(F)C(=O)OC 34a_200009849844_100009813939 [0,1,0,0,0,0|1,0,2]=4 3647 B12R0.49 CCC#CCOC[C@@H](N)C(=O)OC 34a_100000003586_100009813939 [0,1,0,0,0,0|1,0,2]=4 3648 B12R0.49 CCC#CCSCC(C)C(=O)OC 62a_100000698445_100009813939 [0,1,0,0,0,0|1,0,2]=4 3649 B12R0.49 CCC#CCSCC(C)C(=O)OC 62a_100009813939_100000698445 [0,1,0,0,0,0|1,0,2]=4 3650 B12R0.49 CCC(=O)C(C)NCCCCCO 2230a_100000762737_100000742827 [0,1,0,0,0,0|3,0,0]=4 3651 B12R0.49 CCC(=O)C(C)OCCCCCBr 7a_100000746331_100000742827 [0,1,0,0,0,0|3,0,0]=4 3652 B12R0.49 CCC(=O)C(C)OCCCCCCl 7a_100000746330_100000742827 [0,1,0,0,0,0|3,0,0]=4 3653 B12R0.49 CCC(=O)C(C)OCCCCCI 7a_200012148887_100000742827 [0,1,0,0,0,0|3,0,0]=4 3654 B12R0.49 CCC(=O)C(C)OCCCCSC 7a_100011217163_100000742827 [0,1,0,0,0,0|3,0,0]=4 3655 B12R0.49 CCC(=O)C(C)SCCCCCF 62a_100000729378_100000742827 [0,1,0,0,0,0|3,0,0]=4 3656 B12R0.49 CCC(=O)C(C)SCCCCCF 62a_100000742827_100000729378 [0,1,0,0,0,0|3,0,0]=4 3657 B12R0.49 CCC(=O)C(C)SCCCCCO 62a_100000742827_100000746330 [0,1,0,0,0,0|3,0,0]=4 3658 B12R0.49 CCC(=O)C(C)SCCCCCO 62a_100000746330_100000742827 [0,1,0,0,0,0|3,0,0]=4 3659 B12R0.49 CCC(=O)C(C)SCCCCOC 62a_100000730899_100000742827 [0,1,0,0,0,0|3,0,0]=4 3660 B12R0.49 CCC(=O)C(C)SCCCCOC 62a_100000742827_100000730899 [0,1,0,0,0,0|3,0,0]=4 3661 B12R0.49 CCC/C=C/COC(C)C(=O)OC 34a_100016278788_100000211248 [0,1,0,0,0,0|1,0,2]=4 3662 B12R0.49 CCC/C=C/COC(C)C(=O)OC 7a_100016278788_100000211248 [0,1,0,0,0,0|1,0,2]=4 3663 B12R0.49 CCCC#CCOC(C)C(=O)OC 34a_100000034806_100000211248 [0,1,0,0,0,0|1,0,2]=4 3664 B12R0.49 CCCC#CCOC(C)C(=O)OC 7a_100000034806_100000211248 [0,1,0,0,0,0|1,0,2]=4 3665 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [0,1,0,0,0,0|1,0,1]=3 3666 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [0,1,0,0,0,0|1,0,2]=4 3667 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,1,0,0,0,0|1,0,0]=2 3668 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,1,0,0,0,0|2,0,0]=3 3669 B12R0.49 CCCCCCCC(C)N(C)CC 2230a_100000225621_200011218727 [0,1,0,0,0,0|3,0,0]=4 3670 B12R0.49 CCCCCCCC(C)N(C)CC 269982a_100000225621_200011218727 [0,1,0,0,0,0|3,0,0]=4 3671 B12R0.49 CCCCCCCN(C)C(=O)CC 11a_100000228206_100000210414 [0,1,0,0,0,0|2,0,0]=3 3672 B12R0.49 CCCCCCCN(C)C(=O)CC 1626a_100000228206_100000210414 [0,1,0,0,0,0|2,0,0]=3 3673 B12R0.49 CCCCCCCN(C)C(=O)CC 240690a_100000228206_100000210414 [0,1,0,0,0,0|2,0,0]=3 3674 B12R0.49 CCCCCCCN(C)C(=O)CC 527a_100000228206_100000210414 [0,1,0,0,0,0|2,0,0]=3 3675 B12R0.49 CCCCCCCN(C)C(=O)CO 240690a_100000228206_100000210174 [0,1,0,0,0,0|3,0,0]=4 3676 B12R0.49 CCCCCCCN(C)C(=O)CO 527a_100000228206_100000210174 [0,1,0,0,0,0|3,0,0]=4 3677 B12R0.49 CCCCCCCN(C)C(=O)NC 2708a_100102657272_100000228206 [0,1,0,0,0,0|2,0,0]=3 3678 B12R0.49 CCCCCCCN(C)C(=O)NC 273464a_100102657272_100000228206 [0,1,0,0,0,0|2,0,0]=3 3679 B12R0.49 CCCCCCCN(C)C(C)OC 269982a_100000228206_100009879195 [0,1,0,0,0,0|2,0,1]=4 3680 B12R0.49 CCCCCCNC(=O)C(=O)NC 1626a_100000210581_100011218921 [0,1,0,0,0,0|2,0,1]=4 3681 B12R0.49 CCCCCCNC(=O)C(=O)NC 240690a_100000210581_100011218921 [0,1,0,0,0,0|2,0,1]=4 3682 B12R0.49 CCCCCCNC(=O)C(=O)NC 527a_100000210581_100011218921 [0,1,0,0,0,0|2,0,1]=4 3683 B12R0.49 CCCCCCNC(=O)C(=O)OC 11a_100000210581_100000024059 [0,1,0,0,0,0|1,0,1]=3 3684 B12R0.49 CCCCCCNC(=O)C(=O)OC 1626a_100000210581_100000024059 [0,1,0,0,0,0|1,0,1]=3 3685 B12R0.49 CCCCCCNC(=O)C(=O)OC 240690a_100000210581_100000024059 [0,1,0,0,0,0|1,0,1]=3 3686 B12R0.49 CCCCCCNC(=O)C(=O)OC 527a_100000210581_100000024059 [0,1,0,0,0,0|1,0,1]=3 3687 B12R0.49 CCCCCCNC(C)C(=O)CC 2230a_100000210581_100000742827 [0,1,0,0,0,0|2,0,0]=3 3688 B12R0.49 CCCCCCNC(C)C(=O)NC 2230a_100000210581_100000731044 [0,1,0,0,0,0|2,0,0]=3 3689 B12R0.49 CCCCCCNC(C)C(=O)OC 2230a_100000210581_100000211248 [0,1,0,0,0,0|1,0,0]=2 3690 B12R0.49 CCCCCCNC(F)C(=O)NC 2230a_100000210581_100009813575 [0,1,0,0,0,0|2,0,0]=3 3691 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210314 [0,1,0,0,0,0|2,0,0]=3 3692 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210314 [0,1,0,0,0,0|2,0,0]=3 3693 B12R0.49 CCCCCCOC(C)C(=O)CC 7a_100000210259_100000742827 [0,1,0,0,0,0|2,0,0]=3 3694 B12R0.49 CCCCCCOC(C)C(=O)NC 34a_100000210259_100000731044 [0,1,0,0,0,0|2,0,0]=3 3695 B12R0.49 CCCCCCOC(C)C(=O)NC 7a_100000210259_100000209862 [0,1,0,0,0,0|2,0,0]=3 3696 B12R0.49 CCCCCCOC(C)C(=O)NN 34a_100000725659_100000210314 [0,1,0,0,0,0|3,0,0]=4 3697 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100000210259_100000211248 [0,1,0,0,0,0|1,0,0]=2 3698 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100011215400_100000210314 [0,1,0,0,0,0|1,0,0]=2 3699 B12R0.49 CCCCCCOC(C)C(=O)OC 7a_100000210259_100000211248 [0,1,0,0,0,0|1,0,0]=2 3700 B12R0.49 CCCCCCOC(F)C(=O)NC 34a_100000210259_100009813575 [0,1,0,0,0,0|2,0,0]=3 3701 B12R0.49 CCCCCCOC(F)C(=O)NC 7a_100000210259_100009813575 [0,1,0,0,0,0|2,0,0]=3 3702 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000210314_100000742827 [0,1,0,0,0,0|2,0,0]=3 3703 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000742827_100000210757 [0,1,0,0,0,0|2,0,0]=3 3704 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000209862_100000210757 [0,1,0,0,0,0|2,0,0]=3 3705 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000210314_100000731044 [0,1,0,0,0,0|2,0,0]=3 3706 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000210314_100000211248 [0,1,0,0,0,0|1,0,0]=2 3707 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000211248_100000210757 [0,1,0,0,0,0|1,0,0]=2 3708 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100000210314_100009813575 [0,1,0,0,0,0|2,0,0]=3 3709 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100009813575_100000210757 [0,1,0,0,0,0|2,0,0]=3 3710 B12R0.49 CCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210326 [0,1,0,0,0,0|2,0,0]=3 3711 B12R0.49 CCCCCNCC(C)C(=O)NC 34a_100015187722_100000718602 [0,1,0,0,0,0|2,0,0]=3 3712 B12R0.49 CCCCCNN=C(C)C(=O)OC 4a_100000694160_100000211753 [0,1,0,0,0,0|2,0,1]=4 3713 B12R0.49 CCCCCOCC(=O)C(=O)OC 34a_100000210253_100011610305 [0,1,0,0,0,0|1,0,1]=3 3714 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [0,1,0,0,0,0|1,0,0]=2 3715 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [0,1,0,0,0,0|1,0,0]=2 3716 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [0,1,0,0,0,0|1,0,0]=2 3717 B12R0.49 CCCCCOCC(F)C(=O)OC 34a_200009849844_100000718602 [0,1,0,0,0,0|1,0,0]=2 3718 B12R0.49 CCCCCOCC(N)C(=O)NN 34a_100016989258_100000718602 [0,1,0,0,0,0|3,0,0]=4 3719 B12R0.49 CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000718602 [0,1,0,0,0,0|1,0,0]=2 3720 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100000210326_100011610305 [0,1,0,0,0,0|1,0,1]=3 3721 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210326 [0,1,0,0,0,0|1,0,1]=3 3722 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000210326_100000698445 [0,1,0,0,0,0|1,0,0]=2 3723 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000698445_100000210326 [0,1,0,0,0,0|1,0,0]=2 3724 B12R0.49 CCCCNCCC(C)C(=O)OC 2230a_100000102301_100000034942 [0,1,0,0,0,0|1,0,0]=2 3725 B12R0.49 CCCCNCCC(C)C(=O)OC 7a_106832991798_100000034942 [0,1,0,0,0,0|1,0,0]=2 3726 B12R0.49 CCCCOCCC(=O)C(=O)NC 1458a_100011218921_100000743108 [0,1,0,0,0,0|2,0,1]=4 3727 B12R0.49 CCCCOCCC(C)C(=O)OC 34a_100000210227_100000034942 [0,1,0,0,0,0|1,0,0]=2 3728 B12R0.49 CCCCOCCC(C)C(=O)OC 7a_100000210227_100000034942 [0,1,0,0,0,0|1,0,0]=2 3729 B12R0.49 CCCCOCN[C@H](C)C(=O)NC 2230a_100000684985_100011995733 [0,1,0,0,0,0|3,0,0]=4 3730 B12R0.49 CCCCOCN[C@H](C)C(=O)NC 34a_100000684985_100011995733 [0,1,0,0,0,0|3,0,0]=4 3731 B12R0.49 CCCCOCOC(C)C(=O)OC 34a_100011215400_100011995733 [0,1,0,0,0,0|2,0,0]=3 3732 B12R0.49 CCCCOCSC(C)C(=O)CC 62a_100000742827_100011995733 [0,1,0,0,0,0|3,0,0]=4 3733 B12R0.49 CCCCOCSC(C)C(=O)CC 62a_100011995733_100000742827 [0,1,0,0,0,0|3,0,0]=4 3734 B12R0.49 CCCCOCSC(C)C(=O)NC 62a_100000209862_100011995733 [0,1,0,0,0,0|3,0,0]=4 3735 B12R0.49 CCCCOCSC(C)C(=O)NC 62a_100011995733_100000731044 [0,1,0,0,0,0|3,0,0]=4 3736 B12R0.49 CCCCOCSC(C)C(=O)OC 62a_100000211248_100011995733 [0,1,0,0,0,0|2,0,0]=3 3737 B12R0.49 CCCCOCSC(C)C(=O)OC 62a_100011995733_100000211248 [0,1,0,0,0,0|2,0,0]=3 3738 B12R0.49 CCCCOCSC(F)C(=O)NC 62a_100009813575_100011995733 [0,1,0,0,0,0|3,0,0]=4 3739 B12R0.49 CCCCOCSC(F)C(=O)NC 62a_100011995733_100009813575 [0,1,0,0,0,0|3,0,0]=4 3740 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000034942_100000210210 [0,1,0,0,0,0|1,0,0]=2 3741 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000210211_100000034942 [0,1,0,0,0,0|1,0,0]=2 3742 B12R0.49 CCCOCCNC(=O)C(=O)OC 1626a_100161115042_100000024059 [0,1,0,0,0,0|2,0,1]=4 3743 B12R0.49 CCCOCCNC(=O)C(=O)OC 240690a_100161115042_100000024059 [0,1,0,0,0,0|2,0,1]=4 3744 B12R0.49 CCCOCCNC(=O)C(=O)OC 527a_100161115042_100000024059 [0,1,0,0,0,0|2,0,1]=4 3745 B12R0.49 CCCOCCNC(C)C(=O)CC 2230a_100161115042_100000742827 [0,1,0,0,0,0|3,0,0]=4 3746 B12R0.49 CCCOCCNC(C)C(=O)NC 2230a_100161115042_100000731044 [0,1,0,0,0,0|3,0,0]=4 3747 B12R0.49 CCCOCCNC(C)C(=O)NC 34a_100161115042_100000731044 [0,1,0,0,0,0|3,0,0]=4 3748 B12R0.49 CCCOCCNC(C)C(=O)OC 2230a_100161115042_100000211248 [0,1,0,0,0,0|2,0,0]=3 3749 B12R0.49 CCCOCCNC(C)C(=O)OC 34a_100161115042_100000211248 [0,1,0,0,0,0|2,0,0]=3 3750 B12R0.49 CCCOCCNC(F)C(=O)NC 2230a_100161115042_100009813575 [0,1,0,0,0,0|3,0,0]=4 3751 B12R0.49 CCCOCCNC(F)C(=O)NC 34a_100161115042_100009813575 [0,1,0,0,0,0|3,0,0]=4 3752 B12R0.49 CCCOCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215938 [0,1,0,0,0,0|3,0,0]=4 3753 B12R0.49 CCCOCCN[C@H](C)C(=O)NC 34a_100000684985_100011215938 [0,1,0,0,0,0|3,0,0]=4 3754 B12R0.49 CCCOCCOC(C)C(=O)CC 7a_100000752267_100000742827 [0,1,0,0,0,0|3,0,0]=4 3755 B12R0.49 CCCOCCOC(C)C(=O)NC 34a_100000752267_100000731044 [0,1,0,0,0,0|3,0,0]=4 3756 B12R0.49 CCCOCCOC(C)C(=O)NC 7a_100000752267_100000209862 [0,1,0,0,0,0|3,0,0]=4 3757 B12R0.49 CCCOCCOC(C)C(=O)OC 34a_100000752267_100000211248 [0,1,0,0,0,0|2,0,0]=3 3758 B12R0.49 CCCOCCOC(C)C(=O)OC 34a_100011215400_100011215938 [0,1,0,0,0,0|2,0,0]=3 3759 B12R0.49 CCCOCCOC(C)C(=O)OC 7a_100000752267_100000211248 [0,1,0,0,0,0|2,0,0]=3 3760 B12R0.49 CCCOCCOC(F)C(=O)NC 34a_100000752267_100009813575 [0,1,0,0,0,0|3,0,0]=4 3761 B12R0.49 CCCOCCOC(F)C(=O)NC 7a_100000752267_100009813575 [0,1,0,0,0,0|3,0,0]=4 3762 B12R0.49 CCCOCCSC(C)C(=O)CC 62a_100000742827_100011215938 [0,1,0,0,0,0|3,0,0]=4 3763 B12R0.49 CCCOCCSC(C)C(=O)CC 62a_100011215938_100000742827 [0,1,0,0,0,0|3,0,0]=4 3764 B12R0.49 CCCOCCSC(C)C(=O)NC 62a_100000209862_100011215938 [0,1,0,0,0,0|3,0,0]=4 3765 B12R0.49 CCCOCCSC(C)C(=O)NC 62a_100011215938_100000731044 [0,1,0,0,0,0|3,0,0]=4 3766 B12R0.49 CCCOCCSC(C)C(=O)OC 62a_100000211248_100011215938 [0,1,0,0,0,0|2,0,0]=3 3767 B12R0.49 CCCOCCSC(C)C(=O)OC 62a_100011215938_100000211248 [0,1,0,0,0,0|2,0,0]=3 3768 B12R0.49 CCCOCCSC(F)C(=O)NC 62a_100009813575_100011215938 [0,1,0,0,0,0|3,0,0]=4 3769 B12R0.49 CCCOCCSC(F)C(=O)NC 62a_100011215938_100009813575 [0,1,0,0,0,0|3,0,0]=4 3770 B12R0.49 CCCSCCNC(=O)C(=O)OC 11a_100020603323_100000024059 [0,1,0,0,0,0|2,0,1]=4 3771 B12R0.49 CCCSCCNC(=O)C(=O)OC 240690a_100020603323_100000024059 [0,1,0,0,0,0|2,0,1]=4 3772 B12R0.49 CCCSCCNC(=O)C(=O)OC 527a_100020603323_100000024059 [0,1,0,0,0,0|2,0,1]=4 3773 B12R0.49 CCCSCCNC(C)C(=O)CC 2230a_100020603323_100000742827 [0,1,0,0,0,0|3,0,0]=4 3774 B12R0.49 CCCSCCNC(C)C(=O)NC 2230a_100020603323_100000731044 [0,1,0,0,0,0|3,0,0]=4 3775 B12R0.49 CCCSCCNC(C)C(=O)OC 2230a_100020603323_100000211248 [0,1,0,0,0,0|2,0,0]=3 3776 B12R0.49 CCCSCCNC(F)C(=O)NC 2230a_100020603323_100009813575 [0,1,0,0,0,0|3,0,0]=4 3777 B12R0.49 CCCSCCOC(C)C(=O)CC 7a_200000230433_100000742827 [0,1,0,0,0,0|3,0,0]=4 3778 B12R0.49 CCCSCCOC(C)C(=O)NC 34a_200000230433_100000731044 [0,1,0,0,0,0|3,0,0]=4 3779 B12R0.49 CCCSCCOC(C)C(=O)NC 7a_200000230433_100000209862 [0,1,0,0,0,0|3,0,0]=4 3780 B12R0.49 CCCSCCOC(C)C(=O)OC 34a_200000230433_100000211248 [0,1,0,0,0,0|2,0,0]=3 3781 B12R0.49 CCCSCCOC(C)C(=O)OC 7a_200000230433_100000211248 [0,1,0,0,0,0|2,0,0]=3 3782 B12R0.49 CCCSCCOC(F)C(=O)NC 34a_200000230433_100009813575 [0,1,0,0,0,0|3,0,0]=4 3783 B12R0.49 CCCSCCOC(F)C(=O)NC 7a_200000230433_100009813575 [0,1,0,0,0,0|3,0,0]=4 3784 B12R0.49 CCOCCCNC(=O)C(=O)OC 11a_100000210961_100000024059 [0,1,0,0,0,0|2,0,1]=4 3785 B12R0.49 CCOCCCNC(=O)C(=O)OC 1626a_100000210961_100000024059 [0,1,0,0,0,0|2,0,1]=4 3786 B12R0.49 CCOCCCNC(=O)C(=O)OC 240690a_100000210961_100000024059 [0,1,0,0,0,0|2,0,1]=4 3787 B12R0.49 CCOCCCNC(=O)C(=O)OC 527a_100000210961_100000024059 [0,1,0,0,0,0|2,0,1]=4 3788 B12R0.49 CCOCCCNC(C)C(=O)CC 2230a_100000210961_100000742827 [0,1,0,0,0,0|3,0,0]=4 3789 B12R0.49 CCOCCCNC(C)C(=O)NC 2230a_100000210961_100000731044 [0,1,0,0,0,0|3,0,0]=4 3790 B12R0.49 CCOCCCNC(C)C(=O)NC 34a_100000210961_100000731044 [0,1,0,0,0,0|3,0,0]=4 3791 B12R0.49 CCOCCCNC(C)C(=O)OC 2230a_100000210961_100000211248 [0,1,0,0,0,0|2,0,0]=3 3792 B12R0.49 CCOCCCNC(C)C(=O)OC 34a_100000210961_100000211248 [0,1,0,0,0,0|2,0,0]=3 3793 B12R0.49 CCOCCCNC(F)C(=O)NC 2230a_100000210961_100009813575 [0,1,0,0,0,0|3,0,0]=4 3794 B12R0.49 CCOCCCNC(F)C(=O)NC 34a_100000210961_100009813575 [0,1,0,0,0,0|3,0,0]=4 3795 B12R0.49 CCOCCCN[C@H](C)C(=O)NC 2230a_100000684985_100012232248 [0,1,0,0,0,0|3,0,0]=4 3796 B12R0.49 CCOCCCN[C@H](C)C(=O)NC 34a_100000684985_100012232248 [0,1,0,0,0,0|3,0,0]=4 3797 B12R0.49 CCOCCCOC(C)C(=O)CC 7a_100000757476_100000742827 [0,1,0,0,0,0|3,0,0]=4 3798 B12R0.49 CCOCCCOC(C)C(=O)NC 34a_100000757476_100000731044 [0,1,0,0,0,0|3,0,0]=4 3799 B12R0.49 CCOCCCOC(C)C(=O)NC 7a_100000757476_100000209862 [0,1,0,0,0,0|3,0,0]=4 3800 B12R0.49 CCOCCCOC(C)C(=O)OC 34a_100000757476_100000211248 [0,1,0,0,0,0|2,0,0]=3 3801 B12R0.49 CCOCCCOC(C)C(=O)OC 34a_100011215400_100012232248 [0,1,0,0,0,0|2,0,0]=3 3802 B12R0.49 CCOCCCOC(C)C(=O)OC 7a_100000757476_100000211248 [0,1,0,0,0,0|2,0,0]=3 3803 B12R0.49 CCOCCCOC(F)C(=O)NC 34a_100000757476_100009813575 [0,1,0,0,0,0|3,0,0]=4 3804 B12R0.49 CCOCCCOC(F)C(=O)NC 7a_100000757476_100009813575 [0,1,0,0,0,0|3,0,0]=4 3805 B12R0.49 CCOCCCSC(C)C(=O)CC 62a_100000742827_100012232248 [0,1,0,0,0,0|3,0,0]=4 3806 B12R0.49 CCOCCCSC(C)C(=O)CC 62a_100012232248_100000742827 [0,1,0,0,0,0|3,0,0]=4 3807 B12R0.49 CCOCCCSC(C)C(=O)NC 62a_100000209862_100012232248 [0,1,0,0,0,0|3,0,0]=4 3808 B12R0.49 CCOCCCSC(C)C(=O)NC 62a_100012232248_100000731044 [0,1,0,0,0,0|3,0,0]=4 3809 B12R0.49 CCOCCCSC(C)C(=O)OC 62a_100000211248_100012232248 [0,1,0,0,0,0|2,0,0]=3 3810 B12R0.49 CCOCCCSC(C)C(=O)OC 62a_100012232248_100000211248 [0,1,0,0,0,0|2,0,0]=3 3811 B12R0.49 CCOCCCSC(F)C(=O)NC 62a_100009813575_100012232248 [0,1,0,0,0,0|3,0,0]=4 3812 B12R0.49 CCOCCCSC(F)C(=O)NC 62a_100012232248_100009813575 [0,1,0,0,0,0|3,0,0]=4 3813 B12R0.49 CCOCCNCC(=O)C(=O)OC 34a_102516460346_100011610305 [0,1,0,0,0,0|2,0,1]=4 3814 B12R0.49 CCOCCNCC(C)C(=O)NC 2230a_100015187722_100011215890 [0,1,0,0,0,0|3,0,0]=4 3815 B12R0.49 CCOCCNCC(C)C(=O)NC 34a_100015187722_100000210147 [0,1,0,0,0,0|3,0,0]=4 3816 B12R0.49 CCOCCNCC(C)C(=O)OC 34a_102516460346_100000698445 [0,1,0,0,0,0|2,0,0]=3 3817 B12R0.49 CCOCCOCC(=O)C(=O)OC 34a_100000210136_100011610305 [0,1,0,0,0,0|2,0,1]=4 3818 B12R0.49 CCOCCOCC(C)C(=O)OC 34a_100000210136_100000698445 [0,1,0,0,0,0|2,0,0]=3 3819 B12R0.49 CCOCCOCC(C)C(=O)OC 34a_100000749362_100000210147 [0,1,0,0,0,0|2,0,0]=3 3820 B12R0.49 CCOCCOCC(C)C(=O)OC 7a_100000749362_100011215890 [0,1,0,0,0,0|2,0,0]=3 3821 B12R0.49 CCOCCOCC(F)C(=O)OC 34a_200009849844_100000210147 [0,1,0,0,0,0|2,0,0]=3 3822 B12R0.49 CCOCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210147 [0,1,0,0,0,0|2,0,0]=3 3823 B12R0.49 CCOCCSCC(=O)C(=O)OC 62a_100000210147_100011610305 [0,1,0,0,0,0|2,0,1]=4 3824 B12R0.49 CCOCCSCC(=O)C(=O)OC 62a_100011610305_100011215890 [0,1,0,0,0,0|2,0,1]=4 3825 B12R0.49 CCOCCSCC(C)C(=O)OC 62a_100000210147_100000698445 [0,1,0,0,0,0|2,0,0]=3 3826 B12R0.49 CCOCCSCC(C)C(=O)OC 62a_100000698445_100011215890 [0,1,0,0,0,0|2,0,0]=3 3827 B12R0.49 CCOCSCCC(C)C(=O)OC 62a_100000034942_100000739092 [0,1,0,0,0,0|2,0,0]=3 3828 B12R0.49 CCOCSCCC(C)C(=O)OC 62a_100000739092_100000034942 [0,1,0,0,0,0|2,0,0]=3 3829 B12R0.49 CCSCCCOC(C)C(=O)CC 7a_100011216438_100000742827 [0,1,0,0,0,0|3,0,0]=4 3830 B12R0.49 CCSCCCOC(C)C(=O)NC 34a_100011216438_100000731044 [0,1,0,0,0,0|3,0,0]=4 3831 B12R0.49 CCSCCCOC(C)C(=O)NC 7a_100011216438_100000209862 [0,1,0,0,0,0|3,0,0]=4 3832 B12R0.49 CCSCCCOC(C)C(=O)OC 34a_100011216438_100000211248 [0,1,0,0,0,0|2,0,0]=3 3833 B12R0.49 CCSCCCOC(C)C(=O)OC 7a_100011216438_100000211248 [0,1,0,0,0,0|2,0,0]=3 3834 B12R0.49 CCSCCCOC(F)C(=O)NC 34a_100011216438_100009813575 [0,1,0,0,0,0|3,0,0]=4 3835 B12R0.49 CCSCCCOC(F)C(=O)NC 7a_100011216438_100009813575 [0,1,0,0,0,0|3,0,0]=4 3836 B12R0.49 CCSCCNCC(C)C(=O)NC 2230a_100015187722_100000757381 [0,1,0,0,0,0|3,0,0]=4 3837 B12R0.49 CCSCCNCC(C)C(=O)NC 34a_100015187722_100000757381 [0,1,0,0,0,0|3,0,0]=4 3838 B12R0.49 CCSCCOCC(=O)C(=O)OC 34a_100000212035_100011610305 [0,1,0,0,0,0|2,0,1]=4 3839 B12R0.49 CCSCCOCC(C)C(=O)OC 34a_100000212035_100000698445 [0,1,0,0,0,0|2,0,0]=3 3840 B12R0.49 CCSCCOCC(C)C(=O)OC 34a_100000749362_100000757381 [0,1,0,0,0,0|2,0,0]=3 3841 B12R0.49 CCSCCOCC(C)C(=O)OC 7a_100000749362_100000757381 [0,1,0,0,0,0|2,0,0]=3 3842 B12R0.49 CCSCCOCC(F)C(=O)OC 34a_200009849844_100000757381 [0,1,0,0,0,0|2,0,0]=3 3843 B12R0.49 CCSCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000757381 [0,1,0,0,0,0|2,0,0]=3 3844 B12R0.49 CCSCCSCC(=O)C(=O)OC 62a_100000757381_100011610305 [0,1,0,0,0,0|2,0,1]=4 3845 B12R0.49 CCSCCSCC(=O)C(=O)OC 62a_100011610305_100000757381 [0,1,0,0,0,0|2,0,1]=4 3846 B12R0.49 CCSCCSCC(C)C(=O)OC 62a_100000698445_100000757381 [0,1,0,0,0,0|2,0,0]=3 3847 B12R0.49 CCSCCSCC(C)C(=O)OC 62a_100000757381_100000698445 [0,1,0,0,0,0|2,0,0]=3 3848 B12R0.49 CNC(=O)C(=O)CCCCCCF 1458a_100011218921_100015922095 [0,1,0,0,0,0|2,0,1]=4 3849 B12R0.49 CNC(=O)C(=O)CCCCCCO 1458a_100011218921_100000766143 [0,1,0,0,0,0|2,0,1]=4 3850 B12R0.49 CNC(=O)C(C)CNCCCCF 2230a_100015187722_100000729493 [0,1,0,0,0,0|3,0,0]=4 3851 B12R0.49 CNC(=O)C(C)CNCCCCF 34a_100015187722_100000729493 [0,1,0,0,0,0|3,0,0]=4 3852 B12R0.49 CNC(=O)C(C)CNCCCCO 2230a_100015187722_100000210776 [0,1,0,0,0,0|3,0,0]=4 3853 B12R0.49 CNC(=O)C(C)CNCCCCO 34a_100015187722_100011216708 [0,1,0,0,0,0|3,0,0]=4 3854 B12R0.49 CNC(=O)C(C)CNCCCOC 2230a_100015187722_100000740836 [0,1,0,0,0,0|3,0,0]=4 3855 B12R0.49 CNC(=O)C(C)CNCCCOC 34a_100015187722_100000740836 [0,1,0,0,0,0|3,0,0]=4 3856 B12R0.49 CNC(=O)C(C)NCCCCCO 2230a_100000762737_100000731044 [0,1,0,0,0,0|3,0,0]=4 3857 B12R0.49 CNC(=O)C(C)NCCCCCO 34a_100000762737_100000731044 [0,1,0,0,0,0|3,0,0]=4 3858 B12R0.49 CNC(=O)C(C)OCCCCCBr 34a_100000746331_100000731044 [0,1,0,0,0,0|3,0,0]=4 3859 B12R0.49 CNC(=O)C(C)OCCCCCBr 7a_100000746331_100000209862 [0,1,0,0,0,0|3,0,0]=4 3860 B12R0.49 CNC(=O)C(C)OCCCCCCl 34a_100000746330_100000731044 [0,1,0,0,0,0|3,0,0]=4 3861 B12R0.49 CNC(=O)C(C)OCCCCCCl 7a_100000746330_100000209862 [0,1,0,0,0,0|3,0,0]=4 3862 B12R0.49 CNC(=O)C(C)OCCCCCI 34a_200012148887_100000731044 [0,1,0,0,0,0|3,0,0]=4 3863 B12R0.49 CNC(=O)C(C)OCCCCCI 7a_200012148887_100000209862 [0,1,0,0,0,0|3,0,0]=4 3864 B12R0.49 CNC(=O)C(C)OCCCCCN 34a_100000762737_100000731044 [0,1,0,0,0,0|3,0,0]=4 3865 B12R0.49 CNC(=O)C(C)OCCCCOC 34a_100000740925_100000731044 [0,1,0,0,0,0|3,0,0]=4 3866 B12R0.49 CNC(=O)C(C)OCCCCSC 34a_100011217163_100000731044 [0,1,0,0,0,0|3,0,0]=4 3867 B12R0.49 CNC(=O)C(C)OCCCCSC 7a_100011217163_100000209862 [0,1,0,0,0,0|3,0,0]=4 3868 B12R0.49 CNC(=O)C(C)SCCCCCF 62a_100000209862_100000729378 [0,1,0,0,0,0|3,0,0]=4 3869 B12R0.49 CNC(=O)C(C)SCCCCCF 62a_100000729378_100000731044 [0,1,0,0,0,0|3,0,0]=4 3870 B12R0.49 CNC(=O)C(C)SCCCCCO 62a_100000209862_100000746330 [0,1,0,0,0,0|3,0,0]=4 3871 B12R0.49 CNC(=O)C(C)SCCCCCO 62a_100000746330_100000731044 [0,1,0,0,0,0|3,0,0]=4 3872 B12R0.49 CNC(=O)C(C)SCCCCOC 62a_100000209862_100000730899 [0,1,0,0,0,0|3,0,0]=4 3873 B12R0.49 CNC(=O)C(C)SCCCCOC 62a_100000730899_100000731044 [0,1,0,0,0,0|3,0,0]=4 3874 B12R0.49 CNC(=O)C(F)NCCCCCO 2230a_100000762737_100009813575 [0,1,0,0,0,0|3,0,0]=4 3875 B12R0.49 CNC(=O)C(F)NCCCCCO 34a_100000762737_100009813575 [0,1,0,0,0,0|3,0,0]=4 3876 B12R0.49 CNC(=O)C(F)OCCCCCBr 34a_100000746331_100009813575 [0,1,0,0,0,0|3,0,0]=4 3877 B12R0.49 CNC(=O)C(F)OCCCCCBr 7a_100000746331_100009813575 [0,1,0,0,0,0|3,0,0]=4 3878 B12R0.49 CNC(=O)C(F)OCCCCCCl 34a_100000746330_100009813575 [0,1,0,0,0,0|3,0,0]=4 3879 B12R0.49 CNC(=O)C(F)OCCCCCCl 7a_100000746330_100009813575 [0,1,0,0,0,0|3,0,0]=4 3880 B12R0.49 CNC(=O)C(F)OCCCCCI 34a_200012148887_100009813575 [0,1,0,0,0,0|3,0,0]=4 3881 B12R0.49 CNC(=O)C(F)OCCCCCI 7a_200012148887_100009813575 [0,1,0,0,0,0|3,0,0]=4 3882 B12R0.49 CNC(=O)C(F)OCCCCCN 34a_100000762737_100009813575 [0,1,0,0,0,0|3,0,0]=4 3883 B12R0.49 CNC(=O)C(F)OCCCCOC 34a_100000740925_100009813575 [0,1,0,0,0,0|3,0,0]=4 3884 B12R0.49 CNC(=O)C(F)OCCCCSC 34a_100011217163_100009813575 [0,1,0,0,0,0|3,0,0]=4 3885 B12R0.49 CNC(=O)C(F)OCCCCSC 7a_100011217163_100009813575 [0,1,0,0,0,0|3,0,0]=4 3886 B12R0.49 CNC(=O)C(F)SCCCCCF 62a_100000729378_100009813575 [0,1,0,0,0,0|3,0,0]=4 3887 B12R0.49 CNC(=O)C(F)SCCCCCF 62a_100009813575_100000729378 [0,1,0,0,0,0|3,0,0]=4 3888 B12R0.49 CNC(=O)C(F)SCCCCCO 62a_100000746330_100009813575 [0,1,0,0,0,0|3,0,0]=4 3889 B12R0.49 CNC(=O)C(F)SCCCCCO 62a_100009813575_100000746330 [0,1,0,0,0,0|3,0,0]=4 3890 B12R0.49 CNC(=O)C(F)SCCCCOC 62a_100000730899_100009813575 [0,1,0,0,0,0|3,0,0]=4 3891 B12R0.49 CNC(=O)C(F)SCCCCOC 62a_100009813575_100000730899 [0,1,0,0,0,0|3,0,0]=4 3892 B12R0.49 CNC(=O)[C@@H](C)NCCCCCF 2230a_100000684985_100000729378 [0,1,0,0,0,0|3,0,0]=4 3893 B12R0.49 CNC(=O)[C@@H](C)NCCCCCF 34a_100000684985_100000729378 [0,1,0,0,0,0|3,0,0]=4 3894 B12R0.49 CNC(=O)[C@@H](C)NCCCCCO 2230a_100000684985_100000746330 [0,1,0,0,0,0|3,0,0]=4 3895 B12R0.49 CNC(=O)[C@@H](C)NCCCCCO 34a_100000684985_100000746330 [0,1,0,0,0,0|3,0,0]=4 3896 B12R0.49 CNC(=O)[C@@H](C)NCCCCOC 2230a_100000684985_100000730899 [0,1,0,0,0,0|3,0,0]=4 3897 B12R0.49 CNC(=O)[C@@H](C)NCCCCOC 34a_100000684985_100000755781 [0,1,0,0,0,0|3,0,0]=4 3898 B12R0.49 CNCCCOCC(=O)C(=O)OC 34a_100000213112_100011610305 [0,1,0,0,0,0|2,0,1]=4 3899 B12R0.49 CNCCCOCC(C)C(=O)OC 34a_100000213112_100000698445 [0,1,0,0,0,0|2,0,0]=3 3900 B12R0.49 COC(=O)C(=O)CNCCCCO 34a_100000750430_100011610305 [0,1,0,0,0,0|2,0,1]=4 3901 B12R0.49 COC(=O)C(=O)COCCCCBr 34a_100011216708_100011610305 [0,1,0,0,0,0|2,0,1]=4 3902 B12R0.49 COC(=O)C(=O)COCCCCCl 34a_100000210776_100011610305 [0,1,0,0,0,0|2,0,1]=4 3903 B12R0.49 COC(=O)C(=O)COCCCCF 34a_100011995726_100011610305 [0,1,0,0,0,0|2,0,1]=4 3904 B12R0.49 COC(=O)C(=O)COCCCCI 34a_200012148704_100011610305 [0,1,0,0,0,0|2,0,1]=4 3905 B12R0.49 COC(=O)C(=O)COCCCCN 34a_100000750430_100011610305 [0,1,0,0,0,0|2,0,1]=4 3906 B12R0.49 COC(=O)C(=O)COCCCSC 34a_100000690336_100011610305 [0,1,0,0,0,0|2,0,1]=4 3907 B12R0.49 COC(=O)C(=O)CSCCCCF 62a_100000729493_100011610305 [0,1,0,0,0,0|2,0,1]=4 3908 B12R0.49 COC(=O)C(=O)CSCCCCF 62a_100011610305_100000729493 [0,1,0,0,0,0|2,0,1]=4 3909 B12R0.49 COC(=O)C(=O)CSCCCCO 62a_100000210776_100011610305 [0,1,0,0,0,0|2,0,1]=4 3910 B12R0.49 COC(=O)C(=O)CSCCCCO 62a_100011610305_100000210776 [0,1,0,0,0,0|2,0,1]=4 3911 B12R0.49 COC(=O)C(=O)NCCCCCO 240690a_100000762737_100000024059 [0,1,0,0,0,0|2,0,1]=4 3912 B12R0.49 COC(=O)C(C)CCNCCCF 2230a_100015189416_100000034942 [0,1,0,0,0,0|2,0,0]=3 3913 B12R0.49 COC(=O)C(C)CCNCCCF 34a_100015189416_100000034942 [0,1,0,0,0,0|2,0,0]=3 3914 B12R0.49 COC(=O)C(C)CCNCCSC 2230a_100020590264_100000034942 [0,1,0,0,0,0|2,0,0]=3 3915 B12R0.49 COC(=O)C(C)CCOCCCBr 34a_100011217188_100000034942 [0,1,0,0,0,0|2,0,0]=3 3916 B12R0.49 COC(=O)C(C)CCOCCCCl 34a_100000230001_100000034942 [0,1,0,0,0,0|2,0,0]=3 3917 B12R0.49 COC(=O)C(C)CCOCCCF 34a_100000759539_100000034942 [0,1,0,0,0,0|2,0,0]=3 3918 B12R0.49 COC(=O)C(C)CCOCCCN 34a_100000182051_100000034942 [0,1,0,0,0,0|2,0,0]=3 3919 B12R0.49 COC(=O)C(C)CCOCCON 34a_100000700252_100000034942 [0,1,0,0,0,0|3,0,0]=4 3920 B12R0.49 COC(=O)C(C)CCOCCSC 34a_100000230434_100000034942 [0,1,0,0,0,0|2,0,0]=3 3921 B12R0.49 COC(=O)C(C)CCOCCSC 7a_100000230434_100000034942 [0,1,0,0,0,0|2,0,0]=3 3922 B12R0.49 COC(=O)C(C)CCSCCC#N 62a_100000034942_100011215226 [0,1,0,0,0,0|2,0,1]=4 3923 B12R0.49 COC(=O)C(C)CCSCCC#N 62a_100011215226_100000034942 [0,1,0,0,0,0|2,0,1]=4 3924 B12R0.49 COC(=O)C(C)CCSCCCF 62a_100000034942_100011934791 [0,1,0,0,0,0|2,0,0]=3 3925 B12R0.49 COC(=O)C(C)CCSCCCF 62a_100011934791_100000034942 [0,1,0,0,0,0|2,0,0]=3 3926 B12R0.49 COC(=O)C(C)CCSCCCO 62a_100000034942_100011215043 [0,1,0,0,0,0|2,0,0]=3 3927 B12R0.49 COC(=O)C(C)CCSCCCO 62a_100011215043_100000034942 [0,1,0,0,0,0|2,0,0]=3 3928 B12R0.49 COC(=O)C(C)CCSCCSC 62a_100000034942_100000751147 [0,1,0,0,0,0|2,0,0]=3 3929 B12R0.49 COC(=O)C(C)CCSCCSC 62a_100000212216_100000034942 [0,1,0,0,0,0|2,0,0]=3 3930 B12R0.49 COC(=O)C(C)CNCCCCO 34a_100000750430_100000698445 [0,1,0,0,0,0|2,0,0]=3 3931 B12R0.49 COC(=O)C(C)COCCCC#N 7a_100000749362_100000687738 [0,1,0,0,0,0|2,0,1]=4 3932 B12R0.49 COC(=O)C(C)COCCCC=O 7a_100000749362_200011292268 [0,1,0,0,0,0|2,0,1]=4 3933 B12R0.49 COC(=O)C(C)COCCCCBr 34a_100011216708_100000698445 [0,1,0,0,0,0|2,0,0]=3 3934 B12R0.49 COC(=O)C(C)COCCCCCl 34a_100000210776_100000698445 [0,1,0,0,0,0|2,0,0]=3 3935 B12R0.49 COC(=O)C(C)COCCCCF 34a_100000749362_100000729493 [0,1,0,0,0,0|2,0,0]=3 3936 B12R0.49 COC(=O)C(C)COCCCCF 34a_100011995726_100000698445 [0,1,0,0,0,0|2,0,0]=3 3937 B12R0.49 COC(=O)C(C)COCCCCF 7a_100000749362_100000729493 [0,1,0,0,0,0|2,0,0]=3 3938 B12R0.49 COC(=O)C(C)COCCCCI 34a_200012148704_100000698445 [0,1,0,0,0,0|2,0,0]=3 3939 B12R0.49 COC(=O)C(C)COCCCCN 34a_100000750430_100000698445 [0,1,0,0,0,0|2,0,0]=3 3940 B12R0.49 COC(=O)C(C)COCCCCO 34a_100000749362_100011216708 [0,1,0,0,0,0|2,0,0]=3 3941 B12R0.49 COC(=O)C(C)COCCCCO 7a_100000749362_100000210776 [0,1,0,0,0,0|2,0,0]=3 3942 B12R0.49 COC(=O)C(C)COCCCSC 34a_100000690336_100000698445 [0,1,0,0,0,0|2,0,0]=3 3943 B12R0.49 COC(=O)C(C)CSCCCC#N 62a_100000687738_100000698445 [0,1,0,0,0,0|2,0,1]=4 3944 B12R0.49 COC(=O)C(C)CSCCCC#N 62a_100000698445_100000687738 [0,1,0,0,0,0|2,0,1]=4 3945 B12R0.49 COC(=O)C(C)CSCCCC=O 62a_100000698445_200011292268 [0,1,0,0,0,0|2,0,1]=4 3946 B12R0.49 COC(=O)C(C)CSCCCC=O 62a_200011292268_100000698445 [0,1,0,0,0,0|2,0,1]=4 3947 B12R0.49 COC(=O)C(C)CSCCCCF 62a_100000698445_100000729493 [0,1,0,0,0,0|2,0,0]=3 3948 B12R0.49 COC(=O)C(C)CSCCCCF 62a_100000729493_100000698445 [0,1,0,0,0,0|2,0,0]=3 3949 B12R0.49 COC(=O)C(C)CSCCCCO 62a_100000210776_100000698445 [0,1,0,0,0,0|2,0,0]=3 3950 B12R0.49 COC(=O)C(C)CSCCCCO 62a_100000698445_100000210776 [0,1,0,0,0,0|2,0,0]=3 3951 B12R0.49 COC(=O)C(C)NCCCCCO 2230a_100000762737_100000211248 [0,1,0,0,0,0|2,0,0]=3 3952 B12R0.49 COC(=O)C(C)NCCCCCO 34a_100000762737_100000211248 [0,1,0,0,0,0|2,0,0]=3 3953 B12R0.49 COC(=O)C(C)NCCOCCO 2230a_100000211614_100000211248 [0,1,0,0,0,0|3,0,0]=4 3954 B12R0.49 COC(=O)C(C)NCCOCCO 34a_100000211614_100000211248 [0,1,0,0,0,0|3,0,0]=4 3955 B12R0.49 COC(=O)C(C)NCCSCCO 2230a_100011219999_100000211248 [0,1,0,0,0,0|3,0,0]=4 3956 B12R0.49 COC(=O)C(C)OCCCCCBr 34a_100000746331_100000211248 [0,1,0,0,0,0|2,0,0]=3 3957 B12R0.49 COC(=O)C(C)OCCCCCBr 7a_100000746331_100000211248 [0,1,0,0,0,0|2,0,0]=3 3958 B12R0.49 COC(=O)C(C)OCCCCCCl 34a_100000746330_100000211248 [0,1,0,0,0,0|2,0,0]=3 3959 B12R0.49 COC(=O)C(C)OCCCCCCl 7a_100000746330_100000211248 [0,1,0,0,0,0|2,0,0]=3 3960 B12R0.49 COC(=O)C(C)OCCCCCF 34a_100011215400_100000729378 [0,1,0,0,0,0|2,0,0]=3 3961 B12R0.49 COC(=O)C(C)OCCCCCI 34a_200012148887_100000211248 [0,1,0,0,0,0|2,0,0]=3 3962 B12R0.49 COC(=O)C(C)OCCCCCI 7a_200012148887_100000211248 [0,1,0,0,0,0|2,0,0]=3 3963 B12R0.49 COC(=O)C(C)OCCCCCN 34a_100000762737_100000211248 [0,1,0,0,0,0|2,0,0]=3 3964 B12R0.49 COC(=O)C(C)OCCCCCO 34a_100011215400_100000746330 [0,1,0,0,0,0|2,0,0]=3 3965 B12R0.49 COC(=O)C(C)OCCCCSC 34a_100011217163_100000211248 [0,1,0,0,0,0|2,0,0]=3 3966 B12R0.49 COC(=O)C(C)OCCCCSC 7a_100011217163_100000211248 [0,1,0,0,0,0|2,0,0]=3 3967 B12R0.49 COC(=O)C(C)OCCOCCBr 34a_100000692535_100000211248 [0,1,0,0,0,0|3,0,0]=4 3968 B12R0.49 COC(=O)C(C)OCCOCCBr 7a_100000692535_100000211248 [0,1,0,0,0,0|3,0,0]=4 3969 B12R0.49 COC(=O)C(C)OCCOCCCl 34a_100011215305_100000211248 [0,1,0,0,0,0|3,0,0]=4 3970 B12R0.49 COC(=O)C(C)OCCOCCCl 7a_100011215305_100000211248 [0,1,0,0,0,0|3,0,0]=4 3971 B12R0.49 COC(=O)C(C)OCCOCCF 34a_200015357709_100000211248 [0,1,0,0,0,0|3,0,0]=4 3972 B12R0.49 COC(=O)C(C)OCCOCCF 7a_200015357709_100000211248 [0,1,0,0,0,0|3,0,0]=4 3973 B12R0.49 COC(=O)C(C)OCCOCCI 34a_100012149058_100000211248 [0,1,0,0,0,0|3,0,0]=4 3974 B12R0.49 COC(=O)C(C)OCCOCCI 7a_100012149058_100000211248 [0,1,0,0,0,0|3,0,0]=4 3975 B12R0.49 COC(=O)C(C)OCCOCCN 34a_100000211614_100000211248 [0,1,0,0,0,0|3,0,0]=4 3976 B12R0.49 COC(=O)C(C)OCCOCCO 34a_100011215400_100000692535 [0,1,0,0,0,0|3,0,0]=4 3977 B12R0.49 COC(=O)C(C)SCCCCC#N 62a_100000211248_100000211819 [0,1,0,0,0,0|2,0,1]=4 3978 B12R0.49 COC(=O)C(C)SCCCCC#N 62a_100011219923_100000211248 [0,1,0,0,0,0|2,0,1]=4 3979 B12R0.49 COC(=O)C(C)SCCCCC=O 62a_100000139335_100000211248 [0,1,0,0,0,0|2,0,1]=4 3980 B12R0.49 COC(=O)C(C)SCCCCC=O 62a_100000211248_100000139335 [0,1,0,0,0,0|2,0,1]=4 3981 B12R0.49 COC(=O)C(C)SCCCCCF 62a_100000211248_100000729378 [0,1,0,0,0,0|2,0,0]=3 3982 B12R0.49 COC(=O)C(C)SCCCCCF 62a_100000729378_100000211248 [0,1,0,0,0,0|2,0,0]=3 3983 B12R0.49 COC(=O)C(C)SCCCCCO 62a_100000211248_100000746330 [0,1,0,0,0,0|2,0,0]=3 3984 B12R0.49 COC(=O)C(C)SCCCCCO 62a_100000746330_100000211248 [0,1,0,0,0,0|2,0,0]=3 3985 B12R0.49 COC(=O)C(C)SCCOCCO 62a_100000211248_100011215305 [0,1,0,0,0,0|3,0,0]=4 3986 B12R0.49 COC(=O)C(C)SCCOCCO 62a_100011215305_100000211248 [0,1,0,0,0,0|3,0,0]=4 3987 B12R0.49 COC(=O)C(F)COCCCCF 34a_200009849844_100000729493 [0,1,0,0,0,0|2,0,0]=3 3988 B12R0.49 COC(=O)C(F)COCCCCO 34a_200009849844_100011216708 [0,1,0,0,0,0|2,0,0]=3 3989 B12R0.49 COC(=O)[C@H](N)COCCCCF 34a_100000003586_100000729493 [0,1,0,0,0,0|2,0,0]=3 3990 B12R0.49 COC(=O)[C@H](N)COCCCCO 34a_100000003586_100011216708 [0,1,0,0,0,0|2,0,0]=3 3991 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100000740925_100000211248 [0,1,0,0,0,0|2,0,0]=3 3992 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100011215400_100000755781 [0,1,0,0,0,0|2,0,0]=3 3993 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000211248_100000730899 [0,1,0,0,0,0|2,0,0]=3 3994 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000730899_100000211248 [0,1,0,0,0,0|2,0,0]=3 3995 B12R0.49 COCCCNCC(=O)C(=O)OC 34a_100150723488_100011610305 [0,1,0,0,0,0|2,0,1]=4 3996 B12R0.49 COCCCNCC(C)C(=O)OC 34a_100150723488_100000698445 [0,1,0,0,0,0|2,0,0]=3 3997 B12R0.49 COCCCOCC(=O)C(=O)OC 34a_100000740835_100011610305 [0,1,0,0,0,0|2,0,1]=4 3998 B12R0.49 COCCCOCC(C)C(=O)OC 34a_100000740835_100000698445 [0,1,0,0,0,0|2,0,0]=3 3999 B12R0.49 COCCCOCC(C)C(=O)OC 34a_100000749362_100000740836 [0,1,0,0,0,0|2,0,0]=3 4000 B12R0.49 COCCCOCC(C)C(=O)OC 7a_100000749362_100000740836 [0,1,0,0,0,0|2,0,0]=3 4001 B12R0.49 COCCCOCC(F)C(=O)OC 34a_200009849844_100000740836 [0,1,0,0,0,0|2,0,0]=3 4002 B12R0.49 COCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000740836 [0,1,0,0,0,0|2,0,0]=3 4003 B12R0.49 COCCCSCC(=O)C(=O)OC 62a_100000709357_100011610305 [0,1,0,0,0,0|2,0,1]=4 4004 B12R0.49 COCCCSCC(=O)C(=O)OC 62a_100011610305_100000709357 [0,1,0,0,0,0|2,0,1]=4 4005 B12R0.49 COCCCSCC(C)C(=O)OC 62a_100000698445_100000709357 [0,1,0,0,0,0|2,0,0]=3 4006 B12R0.49 COCCCSCC(C)C(=O)OC 62a_100000709357_100000698445 [0,1,0,0,0,0|2,0,0]=3 4007 B12R0.49 COCCNCCC(C)C(=O)OC 2230a_100000209980_100000034942 [0,1,0,0,0,0|2,0,0]=3 4008 B12R0.49 COCCOCCC(C)C(=O)OC 34a_100000210237_100000034942 [0,1,0,0,0,0|2,0,0]=3 4009 B12R0.49 COCCOCSC(C)C(=O)OC 62a_100000211248_100000231047 [0,1,0,0,0,0|3,0,0]=4 4010 B12R0.49 COCCOCSC(C)C(=O)OC 62a_100000231047_100000211248 [0,1,0,0,0,0|3,0,0]=4 4011 B12R0.49 COCCSCCC(C)C(=O)OC 62a_100000034942_100000233755 [0,1,0,0,0,0|2,0,0]=3 4012 B12R0.49 COCCSCCC(C)C(=O)OC 62a_100000233755_100000034942 [0,1,0,0,0,0|2,0,0]=3 4013 B12R0.57 CCCCCCCCC(CC)NC 270004a_106832991635_200011217995 [0,1,0,0,0,0|2,0,1]=4 4014 B12R0.57 CCCCCCCCC(CC)OC 34a_200011216270_200000210301 [0,1,0,0,0,0|1,0,1]=3 4015 B12R0.57 CCCCCCCCC(CC)OC 7a_200011216270_200000210301 [0,1,0,0,0,0|1,0,1]=3 4016 B12R0.57 CCCCCCCCC(CC)O[13CH3] 34a_200011216270_200025704644 [0,1,0,0,0,0|1,0,1]=3 4017 B12R0.57 CCCCCCCCC(CC)O[13CH3] 7a_200011216270_200025704644 [0,1,0,0,0,0|1,0,1]=3 4018 B12R0.57 CCCCCCCCN(CC)CC 2230a_100000724800_100000210759 [0,1,0,0,0,0|3,0,0]=4 4019 B12R0.57 CCCCCCCCN(CC)CC 269956a_100000042499_100000210759 [0,1,0,0,0,0|3,0,0]=4 4020 B12R0.57 CCCCCCCCN(CC)CC 269982a_100000724800_100000210759 [0,1,0,0,0,0|3,0,0]=4 4021 B12R0.57 CCCCCCNCC(OC)OC 2230a_100000210581_100000751394 [0,1,0,0,0,0|1,0,2]=4 4022 B12R0.57 CCCCCCNCC(OC)OC 270004a_100000210581_100000752162 [0,1,0,0,0,0|1,0,2]=4 4023 B12R0.57 CCCCCCOCC(CC)OC 34a_100011934954_100000210314 [0,1,0,0,0,0|2,0,1]=4 4024 B12R0.57 CCCCCCOCC(CC)OC 7a_100011934954_100000210314 [0,1,0,0,0,0|2,0,1]=4 4025 B12R0.57 CCCCCCOCC(OC)OC 34a_100000210259_100000211822 [0,1,0,0,0,0|1,0,2]=4 4026 B12R0.57 CCCCCCOCC(OC)OC 34a_100011216393_100000210314 [0,1,0,0,0,0|1,0,2]=4 4027 B12R0.57 CCCCCCOCC(OC)OC 7a_100000210259_100000751394 [0,1,0,0,0,0|1,0,2]=4 4028 B12R0.57 CCCCCCSCC(OC)OC 62a_100000210314_100000751394 [0,1,0,0,0,0|1,0,2]=4 4029 B12R0.57 CCCCCCSCC(OC)OC 62a_100000751394_100000210757 [0,1,0,0,0,0|1,0,2]=4 4030 B12R0.57 CCCCCNCCC(OC)OC 2230a_100000209983_100009813347 [0,1,0,0,0,0|1,0,2]=4 4031 B12R0.57 CCCCCOCCC(OC)OC 34a_100000210253_100000139399 [0,1,0,0,0,0|1,0,2]=4 4032 B12R0.57 CCCCCOCCC(OC)OC 7a_100000210253_100009813347 [0,1,0,0,0,0|1,0,2]=4 4033 B12R0.57 CCCCCSCCC(OC)OC 62a_100000139399_100000210326 [0,1,0,0,0,0|1,0,2]=4 4034 B12R0.57 CCCCCSCCC(OC)OC 62a_100000210326_100000139399 [0,1,0,0,0,0|1,0,2]=4 4035 B12R0.57 CCCCNCCCC(OC)OC 2230a_100000102301_100000069011 [0,1,0,0,0,0|1,0,2]=4 4036 B12R0.57 CCCCNCCCC(OC)OC 7a_106832991798_100000069011 [0,1,0,0,0,0|1,0,2]=4 4037 B12R0.57 CCCCOCCCC(OC)OC 34a_100000210227_100000069011 [0,1,0,0,0,0|1,0,2]=4 4038 B12R0.57 CCCCOCCCC(OC)OC 7a_100000210227_100000069011 [0,1,0,0,0,0|1,0,2]=4 4039 B12R0.57 CCCCSCCCC(OC)OC 62a_100000069011_100000210210 [0,1,0,0,0,0|1,0,2]=4 4040 B12R0.57 CCCCSCCCC(OC)OC 62a_100000210211_100000069011 [0,1,0,0,0,0|1,0,2]=4 4041 B12R0.57 CCCOCCCCN(CC)N=O 34a_200000035056_100000210303 [0,1,0,0,0,0|3,0,0]=4 4042 B12R0.102 C#CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000753159 [0,1,0,0,0,0|0,0,3]=4 4043 B12R0.102 C#CCCC(=O)CCCC(=O)OC 1458a_100000692101_100011218270 [0,1,0,0,0,0|0,0,3]=4 4044 B12R0.102 C#CCCN(C)CCCC(=O)OC 269982a_100000739225_100000730999 [0,1,0,0,0,0|1,0,2]=4 4045 B12R0.102 C/C=C/CC(=O)CCCC(=O)OC 1458a_100000239890_100102629194 [0,1,0,0,0,0|0,0,3]=4 4046 B12R0.102 C/C=C/CN(C)CCCC(=O)OC 269982a_100000739225_100102629194 [0,1,0,0,0,0|1,0,2]=4 4047 B12R0.102 C=CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000754431 [0,1,0,0,0,0|0,0,3]=4 4048 B12R0.102 C=CCCC(=O)CCCC(=O)OC 1458a_100000749702_100011218270 [0,1,0,0,0,0|0,0,3]=4 4049 B12R0.102 C=CCCC(C)OCCC(=O)OC 34a_100000765329_100000742370 [0,1,0,0,0,0|1,0,2]=4 4050 B12R0.102 C=CCCC(C)OCCC(=O)OC 7a_100000765329_100000204255 [0,1,0,0,0,0|1,0,2]=4 4051 B12R0.102 C=CCCN(C)CCCC(=O)OC 2230a_100020639649_100011218270 [0,1,0,0,0,0|1,0,2]=4 4052 B12R0.102 C=CCCN(C)CCCC(=O)OC 269982a_100000739225_100000754431 [0,1,0,0,0,0|1,0,2]=4 4053 B12R0.102 C=CCCN(C)CCCC(=O)OC 269982a_100020639649_100011218270 [0,1,0,0,0,0|1,0,2]=4 4054 B12R0.102 CC#CCC(=O)CCCC(=O)OC 1458a_100000239890_100000748600 [0,1,0,0,0,0|0,0,3]=4 4055 B12R0.102 CC=CCC(=O)CCCC(=O)OC 1458a_100000239890_100000070051 [0,1,0,0,0,0|0,0,3]=4 4056 B12R0.102 CC=CCC(=O)CCCC(=O)OC 1458a_100121576822_100011218270 [0,1,0,0,0,0|0,0,3]=4 4057 B12R0.102 CCC#CC(=O)CCCC(=O)OC 1458a_100011827653_100011218270 [0,1,0,0,0,0|0,0,3]=4 4058 B12R0.102 CCC#CC(C)OCCC(=O)OC 34a_100000033903_100000742370 [0,1,0,0,0,0|1,0,2]=4 4059 B12R0.102 CCC#CC(C)OCCC(=O)OC 7a_100000033903_100000204255 [0,1,0,0,0,0|1,0,2]=4 4060 B12R0.102 CCC=CC(=O)CCCC(=O)OC 1458a_100000212282_100011218270 [0,1,0,0,0,0|0,0,3]=4 4061 B12R0.102 CCCCC(=O)CCCC(=O)NC 1458a_100000210183_100000741757 [0,1,0,0,0,0|1,0,1]=3 4062 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [0,1,0,0,0,0|0,0,1]=2 4063 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [0,1,0,0,0,0|0,0,1]=2 4064 B12R0.102 CCCCC(=O)CCOC(=O)NC 1458a_100000210183_200011997002 [0,1,0,0,0,0|2,0,1]=4 4065 B12R0.102 CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210211 [0,1,0,0,0,0|1,0,1]=3 4066 B12R0.102 CCCCC(=O)NCCC(=O)NC 11a_100000738227_100000210183 [0,1,0,0,0,0|2,0,1]=4 4067 B12R0.102 CCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000210183 [0,1,0,0,0,0|2,0,1]=4 4068 B12R0.102 CCCCC(=O)NCCC(=O)NC 527a_100000738227_100000210183 [0,1,0,0,0,0|2,0,1]=4 4069 B12R0.102 CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210183 [0,1,0,0,0,0|1,0,1]=3 4070 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [0,1,0,0,0,0|2,0,0]=3 4071 B12R0.102 CCCCC(C)COCC(=O)NC 34a_100011995851_100000183359 [0,1,0,0,0,0|2,0,0]=3 4072 B12R0.102 CCCCC(C)COCC(=O)NC 7a_100011995851_100000183359 [0,1,0,0,0,0|2,0,0]=3 4073 B12R0.102 CCCCC(C)COCC(=O)OC 34a_100011995851_100000747449 [0,1,0,0,0,0|1,0,0]=2 4074 B12R0.102 CCCCC(C)COCC(=O)OC 7a_100011995851_100000747449 [0,1,0,0,0,0|1,0,0]=2 4075 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000126638_100000737683 [0,1,0,0,0,0|2,0,0]=3 4076 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000738227_200011215066 [0,1,0,0,0,0|2,0,0]=3 4077 B12R0.102 CCCCC(C)NCCC(=O)NC 270004a_100000738227_100000210087 [0,1,0,0,0,0|2,0,0]=3 4078 B12R0.102 CCCCC(C)NCCC(=O)NC 34a_100000738227_200011215066 [0,1,0,0,0,0|2,0,0]=3 4079 B12R0.102 CCCCC(C)NCCC(=O)OC 2230a_100000126638_100000204255 [0,1,0,0,0,0|1,0,0]=2 4080 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000687866_100012179268 [0,1,0,0,0,0|2,0,0]=3 4081 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000754576_200011215066 [0,1,0,0,0,0|2,0,0]=3 4082 B12R0.102 CCCCC(C)OCCC(=O)NC 7a_100000687866_100000737683 [0,1,0,0,0,0|2,0,0]=3 4083 B12R0.102 CCCCC(C)OCCC(=O)OC 34a_100000687866_100000742370 [0,1,0,0,0,0|1,0,0]=2 4084 B12R0.102 CCCCC(C)OCCC(=O)OC 7a_100000687866_100000204255 [0,1,0,0,0,0|1,0,0]=2 4085 B12R0.102 CCCCC(C)OCCC(C)OC 7a_100000764861_200011215066 [0,1,0,0,0,0|2,0,1]=4 4086 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_100000737683_200011215066 [0,1,0,0,0,0|2,0,0]=3 4087 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_200011215066_100000737683 [0,1,0,0,0,0|2,0,0]=3 4088 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_100000204255_200011215066 [0,1,0,0,0,0|1,0,0]=2 4089 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_200011215066_100000204255 [0,1,0,0,0,0|1,0,0]=2 4090 B12R0.102 CCCCC(C)SCOC(=O)OC 62a_200011215066_100000139417 [0,1,0,0,0,0|2,0,0]=3 4091 B12R0.102 CCCCN(C)C/C=C/C(=O)OC 2230a_100000207549_100000742655 [0,1,0,0,0,0|1,0,2]=4 4092 B12R0.102 CCCCN(C)C/C=C/C(=O)OC 269982a_100000207549_100000742655 [0,1,0,0,0,0|1,0,2]=4 4093 B12R0.102 CCCCN(C)CCCC(=O)NC 2230a_100000207549_100000741757 [0,1,0,0,0,0|2,0,0]=3 4094 B12R0.102 CCCCN(C)CCCC(=O)NC 269982a_100000207549_100000741757 [0,1,0,0,0,0|2,0,0]=3 4095 B12R0.102 CCCCN(C)CCCC(=O)OC 2230a_100000207549_100011218270 [0,1,0,0,0,0|1,0,0]=2 4096 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000207549_100011218270 [0,1,0,0,0,0|1,0,0]=2 4097 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210211 [0,1,0,0,0,0|1,0,0]=2 4098 B12R0.102 CCCCN(C)CCNC(=O)CC 1626a_200000754967_100000210414 [0,1,0,0,0,0|3,0,0]=4 4099 B12R0.102 CCCCN(C)CCNC(=O)CC 240690a_200000754967_100000210414 [0,1,0,0,0,0|3,0,0]=4 4100 B12R0.102 CCCCN(C)CCNC(=O)CC 527a_200000754967_100000210414 [0,1,0,0,0,0|3,0,0]=4 4101 B12R0.102 CCCCN(C)CCNC(=O)NC 2708a_100102657272_200000754967 [0,1,0,0,0,0|3,0,0]=4 4102 B12R0.102 CCCCN(C)CCNC(=O)NC 2708a_200000754967_106832991635 [0,1,0,0,0,0|3,0,0]=4 4103 B12R0.102 CCCCN(C)CCNC(=O)NC 273464a_100102657272_200000754967 [0,1,0,0,0,0|3,0,0]=4 4104 B12R0.102 CCCCN(C)CCNC(=O)NC 273464a_200000754967_100102657272 [0,1,0,0,0,0|3,0,0]=4 4105 B12R0.102 CCCCN(C)CCNC(=O)NC 512a_106832991638_200000754967 [0,1,0,0,0,0|3,0,0]=4 4106 B12R0.102 CCCCN(C)CCNC(=O)NC 512a_200000754967_100102657272 [0,1,0,0,0,0|3,0,0]=4 4107 B12R0.102 CCCCN(C)CCOC(=O)NC 269982a_100000207549_200011997002 [0,1,0,0,0,0|3,0,0]=4 4108 B12R0.102 CCCC[C@H](N)COCC(=O)NC 34a_100011934283_100000183359 [0,1,0,0,0,0|2,0,0]=3 4109 B12R0.102 CCCC[C@H](N)COCC(=O)OC 34a_100011934283_100000747449 [0,1,0,0,0,0|1,0,0]=2 4110 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000199544_100000210202 [0,1,0,0,0,0|2,0,1]=4 4111 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000210414_100011194427 [0,1,0,0,0,0|2,0,1]=4 4112 B12R0.102 CCCNC(=O)CCCC(=O)NC 11a_106832991635_100000199544 [0,1,0,0,0,0|2,0,1]=4 4113 B12R0.102 CCCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199544 [0,1,0,0,0,0|2,0,1]=4 4114 B12R0.102 CCCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199544 [0,1,0,0,0,0|2,0,1]=4 4115 B12R0.102 CCCNC(=O)CCCC(=O)NC 527a_100102657272_100000199544 [0,1,0,0,0,0|2,0,1]=4 4116 B12R0.102 CCCNC(=O)CCCC(=O)OC 11a_100020643023_100000239890 [0,1,0,0,0,0|1,0,1]=3 4117 B12R0.102 CCCNC(=O)CCCC(=O)OC 1626a_100020643023_100000239890 [0,1,0,0,0,0|1,0,1]=3 4118 B12R0.102 CCCNC(=O)CCCC(=O)OC 240690a_100020643023_100000239890 [0,1,0,0,0,0|1,0,1]=3 4119 B12R0.102 CCCNC(=O)CCCC(=O)OC 527a_100020643023_100000239890 [0,1,0,0,0,0|1,0,1]=3 4120 B12R0.102 CCCNC(=O)CNCC(=O)OC 2230a_100000174927_100000747449 [0,1,0,0,0,0|2,0,1]=4 4121 B12R0.102 CCCNC(=O)CSCC(=O)OC 11a_100020643023_100000191316 [0,1,0,0,0,0|2,0,1]=4 4122 B12R0.102 CCCNC(=O)CSCC(=O)OC 1626a_100020643023_100000191316 [0,1,0,0,0,0|2,0,1]=4 4123 B12R0.102 CCCNC(=O)CSCC(=O)OC 240690a_100020643023_100000191316 [0,1,0,0,0,0|2,0,1]=4 4124 B12R0.102 CCCNC(=O)CSCC(=O)OC 62a_100000183358_100000747449 [0,1,0,0,0,0|2,0,1]=4 4125 B12R0.102 CCCNC(=O)CSCC(=O)OC 62a_100000747449_100000183358 [0,1,0,0,0,0|2,0,1]=4 4126 B12R0.102 CCCOC(=O)CSCC(=O)OC 62a_100000747449_200011215008 [0,1,0,0,0,0|2,0,1]=4 4127 B12R0.102 CCCOC(=O)CSCC(=O)OC 62a_200011215008_100000747449 [0,1,0,0,0,0|2,0,1]=4 4128 B12R0.102 CCCOC(C)CNCC(=O)NC 2230a_100015185124_100000183359 [0,1,0,0,0,0|3,0,0]=4 4129 B12R0.102 CCCOC(C)CNCC(=O)NC 34a_100015185124_100000183359 [0,1,0,0,0,0|3,0,0]=4 4130 B12R0.102 CCCOC(C)CNCC(=O)OC 2230a_100015185124_100000747449 [0,1,0,0,0,0|2,0,0]=3 4131 B12R0.102 CCCOC(C)CNCC(=O)OC 34a_100015185124_100000747449 [0,1,0,0,0,0|2,0,0]=3 4132 B12R0.102 CCNCC(=O)NCCC(=O)OC 2230a_100015525214_100000230212 [0,1,0,0,0,0|2,0,1]=4 4133 B12R0.102 CCNN=C(C)CCCC(=O)OC 4a_100000756455_100000015542 [0,1,0,0,0,0|2,0,1]=4 4134 B12R0.102 CCNNC(=O)CCCC(=O)OC 22a_100000756455_100000239890 [0,1,0,0,0,0|2,0,1]=4 4135 B12R0.102 CCOCC(=O)CCCC(=O)NC 1458a_100000211967_100000741757 [0,1,0,0,0,0|2,0,1]=4 4136 B12R0.102 CCOCC(=O)CCCC(=O)OC 1458a_100000211967_100011218270 [0,1,0,0,0,0|1,0,1]=3 4137 B12R0.102 CCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000211967 [0,1,0,0,0,0|2,0,1]=4 4138 B12R0.102 CCOCC(=O)NCCC(=O)OC 34a_100121572206_100000230212 [0,1,0,0,0,0|2,0,1]=4 4139 B12R0.102 CCOCC(C)OCCC(=O)NC 34a_100000718985_100012179268 [0,1,0,0,0,0|3,0,0]=4 4140 B12R0.102 CCOCC(C)OCCC(=O)NC 7a_100000718985_100000737683 [0,1,0,0,0,0|3,0,0]=4 4141 B12R0.102 CCOCC(C)OCCC(=O)OC 34a_100000718985_100000742370 [0,1,0,0,0,0|2,0,0]=3 4142 B12R0.102 CCOCC(C)OCCC(=O)OC 7a_100000718985_100000204255 [0,1,0,0,0,0|2,0,0]=3 4143 B12R0.102 CCOCC(O)CNCC(=O)NC 2230a_102515437182_100000183359 [0,1,0,0,0,0|3,0,0]=4 4144 B12R0.102 CCOCC(O)CNCC(=O)NC 34a_102515437182_100000183359 [0,1,0,0,0,0|3,0,0]=4 4145 B12R0.102 CCOCC(O)CNCC(=O)OC 2230a_102515437182_100000747449 [0,1,0,0,0,0|2,0,0]=3 4146 B12R0.102 CCOCC(O)CNCC(=O)OC 34a_102515437182_100000747449 [0,1,0,0,0,0|2,0,0]=3 4147 B12R0.102 CCOCN(C)CCCC(=O)OC 269982a_100000739225_100000739092 [0,1,0,0,0,0|2,0,0]=3 4148 B12R0.102 CCSCC(=O)CCCC(=O)NC 1458a_100000230394_100000741757 [0,1,0,0,0,0|2,0,1]=4 4149 B12R0.102 CCSCC(=O)CCCC(=O)OC 1458a_100000230394_100011218270 [0,1,0,0,0,0|1,0,1]=3 4150 B12R0.102 CCSCC(=O)NCCC(=O)OC 188690a_100000683876_100000230394 [0,1,0,0,0,0|2,0,1]=4 4151 B12R0.102 CCSCC(=O)NCCC(=O)OC 62a_100000210202_100000230212 [0,1,0,0,0,0|2,0,1]=4 4152 B12R0.102 CCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210202 [0,1,0,0,0,0|2,0,1]=4 4153 B12R0.102 CCSCC(C)NCCC(=O)NC 270004a_100000738227_200011216171 [0,1,0,0,0,0|3,0,0]=4 4154 B12R0.102 CNC(=O)CCCC(=O)CCOC 1458a_100000749529_100000741757 [0,1,0,0,0,0|2,0,1]=4 4155 B12R0.102 CNC(=O)CCCC(=O)CCSC 1458a_100000174002_100000741757 [0,1,0,0,0,0|2,0,1]=4 4156 B12R0.102 CNC(=O)CCCN(C)CCCO 2230a_100000213112_100000741757 [0,1,0,0,0,0|3,0,0]=4 4157 B12R0.102 CNC(=O)CCCN(C)CCCO 269982a_100000213112_100000741757 [0,1,0,0,0,0|3,0,0]=4 4158 B12R0.102 CNC(=O)CCCN(C)CCOC 2230a_100000743101_100000741757 [0,1,0,0,0,0|3,0,0]=4 4159 B12R0.102 CNC(=O)CCCN(C)CCOC 269982a_100000743101_100000741757 [0,1,0,0,0,0|3,0,0]=4 4160 B12R0.102 CNC(=O)CCCN(C)CCSC 2230a_100000686725_100000741757 [0,1,0,0,0,0|3,0,0]=4 4161 B12R0.102 CNC(=O)CCCN(C)CCSC 269982a_100000686725_100000741757 [0,1,0,0,0,0|3,0,0]=4 4162 B12R0.102 CNC(=O)CCNC(C)CCOC 270004a_100000738227_100000742357 [0,1,0,0,0,0|3,0,0]=4 4163 B12R0.102 CNC(=O)CCNC(C)CCSC 270004a_100000738227_100011217047 [0,1,0,0,0,0|3,0,0]=4 4164 B12R0.102 CNC(=O)CCOC(C)CCCCl 34a_200000718107_100012179268 [0,1,0,0,0,0|3,0,0]=4 4165 B12R0.102 CNC(=O)CCOC(C)CCCCl 7a_200000718107_100000737683 [0,1,0,0,0,0|3,0,0]=4 4166 B12R0.102 CNC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000183359 [0,1,0,0,0,0|3,0,0]=4 4167 B12R0.102 CNC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000183359 [0,1,0,0,0,0|3,0,0]=4 4168 B12R0.102 CNC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000183359 [0,1,0,0,0,0|3,0,0]=4 4169 B12R0.102 COC(=O)CCCC(=O)CCC#N 1458a_100000239890_100011215226 [0,1,0,0,0,0|1,0,2]=4 4170 B12R0.102 COC(=O)CCCC(=O)CCC#N 1458a_100011934036_100011218270 [0,1,0,0,0,0|1,0,2]=4 4171 B12R0.102 COC(=O)CCCC(=O)CCCF 1458a_100000239890_100011934791 [0,1,0,0,0,0|1,0,1]=3 4172 B12R0.102 COC(=O)CCCC(=O)CCCO 1458a_100000239890_100011215043 [0,1,0,0,0,0|1,0,1]=3 4173 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000174002_100011218270 [0,1,0,0,0,0|1,0,1]=3 4174 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000239890_100000751147 [0,1,0,0,0,0|1,0,1]=3 4175 B12R0.102 COC(=O)CCCC(=O)NCCF 11a_100000724931_100000239890 [0,1,0,0,0,0|2,0,1]=4 4176 B12R0.102 COC(=O)CCCC(=O)NCCF 1626a_100000724931_100000239890 [0,1,0,0,0,0|2,0,1]=4 4177 B12R0.102 COC(=O)CCCC(=O)NCCF 240690a_100000724931_100000239890 [0,1,0,0,0,0|2,0,1]=4 4178 B12R0.102 COC(=O)CCCC(=O)NCCF 527a_100000724931_100000239890 [0,1,0,0,0,0|2,0,1]=4 4179 B12R0.102 COC(=O)CCCC(=O)NCCO 240690a_100000210304_100000239890 [0,1,0,0,0,0|2,0,1]=4 4180 B12R0.102 COC(=O)CCCC(=O)NCCO 527a_100000210304_100000239890 [0,1,0,0,0,0|2,0,1]=4 4181 B12R0.102 COC(=O)CCCN(C)CCC#N 2230a_100000184479_100011218270 [0,1,0,0,0,0|2,0,1]=4 4182 B12R0.102 COC(=O)CCCN(C)CCC#N 269982a_100000739225_100011215226 [0,1,0,0,0,0|2,0,1]=4 4183 B12R0.102 COC(=O)CCCN(C)CCCF 269982a_100000739225_100011934791 [0,1,0,0,0,0|2,0,0]=3 4184 B12R0.102 COC(=O)CCCN(C)CCCO 2230a_100000213112_100011218270 [0,1,0,0,0,0|2,0,0]=3 4185 B12R0.102 COC(=O)CCCN(C)CCCO 269982a_100000213112_100011218270 [0,1,0,0,0,0|2,0,0]=3 4186 B12R0.102 COC(=O)CCCN(C)CCCO 269982a_100000739225_100011215043 [0,1,0,0,0,0|2,0,0]=3 4187 B12R0.102 COC(=O)CCCN(C)CCSC 2230a_100000686725_100011218270 [0,1,0,0,0,0|2,0,0]=3 4188 B12R0.102 COC(=O)CCCN(C)CCSC 269982a_100000686725_100011218270 [0,1,0,0,0,0|2,0,0]=3 4189 B12R0.102 COC(=O)CCCN(C)CCSC 269982a_100000739225_100000212216 [0,1,0,0,0,0|2,0,0]=3 4190 B12R0.102 COC(=O)CCNC(=O)CCSC 188690a_100000683876_100000174002 [0,1,0,0,0,0|2,0,1]=4 4191 B12R0.102 COC(=O)CCOC(C)CCCCl 34a_200000718107_100000742370 [0,1,0,0,0,0|2,0,0]=3 4192 B12R0.102 COC(=O)CCOC(C)CCCCl 7a_200000718107_100000204255 [0,1,0,0,0,0|2,0,0]=3 4193 B12R0.102 COC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000747449 [0,1,0,0,0,0|2,0,0]=3 4194 B12R0.102 COC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000747449 [0,1,0,0,0,0|2,0,0]=3 4195 B12R0.102 COC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000747449 [0,1,0,0,0,0|2,0,0]=3 4196 B12R0.102 COC(=O)CSCC(=O)CCCF 1458a_100000191316_100011934791 [0,1,0,0,0,0|2,0,1]=4 4197 B12R0.102 COC(=O)CSCC(=O)CCCO 1458a_100000191316_100011215043 [0,1,0,0,0,0|2,0,1]=4 4198 B12R0.102 COC(=O)CSCC(=O)CCSC 1458a_100000191316_100000751147 [0,1,0,0,0,0|2,0,1]=4 4199 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000239890_100000233755 [0,1,0,0,0,0|1,0,1]=3 4200 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000749529_100011218270 [0,1,0,0,0,0|1,0,1]=3 4201 B12R0.102 COCCC(=O)CSCC(=O)OC 1458a_100000191316_100000233755 [0,1,0,0,0,0|2,0,1]=4 4202 B12R0.102 COCCC(=O)NCCC(=O)OC 188690a_100000683876_100000749529 [0,1,0,0,0,0|2,0,1]=4 4203 B12R0.102 COCCN(C)CCCC(=O)OC 2230a_100000743101_100011218270 [0,1,0,0,0,0|2,0,0]=3 4204 B12R0.102 COCCN(C)CCCC(=O)OC 269982a_100000739225_100000233755 [0,1,0,0,0,0|2,0,0]=3 4205 B12R0.102 COCCN(C)CCCC(=O)OC 269982a_100000743101_100011218270 [0,1,0,0,0,0|2,0,0]=3 4206 B12R0.102 COCO[C@H](C)COCC(=O)OC 34a_100016172286_100000747449 [0,1,0,0,0,0|3,0,0]=4 4207 B12R0.102 COCO[C@H](C)COCC(=O)OC 7a_100016172286_100000747449 [0,1,0,0,0,0|3,0,0]=4 4208 B12R0.113 C#CCCCCC(=O)CC(=O)OC 1458a_100000211351_100010269958 [0,1,0,0,0,0|0,0,3]=4 4209 B12R0.113 C#CCCCCC(=O)CC(=O)OC 1458a_100000696528_100000747449 [0,1,0,0,0,0|0,0,3]=4 4210 B12R0.113 C#CCCCCN(C)CC(=O)OC 2230a_100000198492_100010269958 [0,1,0,0,0,0|1,0,2]=4 4211 B12R0.113 C#CCCCNC(C)CC(=O)OC 34a_100000718082_100009817358 [0,1,0,0,0,0|1,0,2]=4 4212 B12R0.113 C#CCCCOC(C)CC(=O)OC 34a_100000215630_100009817358 [0,1,0,0,0,0|1,0,2]=4 4213 B12R0.113 C#CCCCOC(C)CC(=O)OC 7a_100000215630_100009817358 [0,1,0,0,0,0|1,0,2]=4 4214 B12R0.113 C#CCCCSC(C)CC(=O)OC 62a_100009817358_100011215417 [0,1,0,0,0,0|1,0,2]=4 4215 B12R0.113 C#CCCCSC(C)CC(=O)OC 62a_100011215417_100009817358 [0,1,0,0,0,0|1,0,2]=4 4216 B12R0.113 C#CCCNC[C@H](O)CC(=O)OC 34a_100000755551_100000754131 [0,1,0,0,0,0|1,0,2]=4 4217 B12R0.113 C#CCCOC[C@H](O)CC(=O)OC 34a_100011215631_100000754131 [0,1,0,0,0,0|1,0,2]=4 4218 B12R0.113 C#CCCSC[C@H](O)CC(=O)OC 62a_100000688953_100000754131 [0,1,0,0,0,0|1,0,2]=4 4219 B12R0.113 C#CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000688953 [0,1,0,0,0,0|1,0,2]=4 4220 B12R0.113 C/C=C/CCOC(C)CC(=O)OC 34a_100016278192_100009817358 [0,1,0,0,0,0|1,0,2]=4 4221 B12R0.113 C/C=C/COC[C@H](O)CC(=O)OC 34a_100016270725_100000754131 [0,1,0,0,0,0|1,0,2]=4 4222 B12R0.113 C/C=C/CSC[C@H](O)CC(=O)OC 62a_100000754131_100102629194 [0,1,0,0,0,0|1,0,2]=4 4223 B12R0.113 C/C=C/CSC[C@H](O)CC(=O)OC 62a_100102629194_100000754131 [0,1,0,0,0,0|1,0,2]=4 4224 B12R0.113 C=CC(=O)NC(C)CCCCCC 1626a_100000210919_100000185746 [0,1,0,0,0,0|2,0,1]=4 4225 B12R0.113 C=CC(=O)NC(C)CCCCCC 240690a_100000210919_200121576911 [0,1,0,0,0,0|2,0,1]=4 4226 B12R0.113 C=CCCCCC(=O)CC(=O)OC 1458a_100000211351_100011215482 [0,1,0,0,0,0|0,0,3]=4 4227 B12R0.113 C=CCCCCC(=O)CC(=O)OC 1458a_100011215552_100000747449 [0,1,0,0,0,0|0,0,3]=4 4228 B12R0.113 C=CCCCCN(C)CC(=O)OC 2230a_100000198492_100011215482 [0,1,0,0,0,0|1,0,2]=4 4229 B12R0.113 C=CCCCCN(C)CC(=O)OC 2230a_100012000471_100000747449 [0,1,0,0,0,0|1,0,2]=4 4230 B12R0.113 C=CCCCCN(C)CC(=O)OC 269982a_100012000471_100000747449 [0,1,0,0,0,0|1,0,2]=4 4231 B12R0.113 C=CCCCNC(C)CC(=O)OC 2230a_100000700776_100009817358 [0,1,0,0,0,0|1,0,2]=4 4232 B12R0.113 C=CCCCNC(C)CC(=O)OC 34a_100000700776_100009817358 [0,1,0,0,0,0|1,0,2]=4 4233 B12R0.113 C=CCCCOC(C)CC(=O)OC 34a_100000758997_100009817358 [0,1,0,0,0,0|1,0,2]=4 4234 B12R0.113 C=CCCCOC(C)CC(=O)OC 7a_100000758997_100009817358 [0,1,0,0,0,0|1,0,2]=4 4235 B12R0.113 C=CCCCSC(C)CC(=O)OC 62a_100009817358_100000757094 [0,1,0,0,0,0|1,0,2]=4 4236 B12R0.113 C=CCCCSC(C)CC(=O)OC 62a_100011713584_100009817358 [0,1,0,0,0,0|1,0,2]=4 4237 B12R0.113 C=CCCOC[C@H](O)CC(=O)OC 34a_100011205117_100000754131 [0,1,0,0,0,0|1,0,2]=4 4238 B12R0.113 C=CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000754431 [0,1,0,0,0,0|1,0,2]=4 4239 B12R0.113 C=CCCSC[C@H](O)CC(=O)OC 62a_100000754431_100000754131 [0,1,0,0,0,0|1,0,2]=4 4240 B12R0.113 CC#CCCOC(C)CC(=O)OC 34a_100000750427_100009817358 [0,1,0,0,0,0|1,0,2]=4 4241 B12R0.113 CC#CCNC[C@H](O)CC(=O)OC 34a_100000685387_100000754131 [0,1,0,0,0,0|1,0,2]=4 4242 B12R0.113 CC#CCOC[C@H](O)CC(=O)OC 34a_100000761923_100000754131 [0,1,0,0,0,0|1,0,2]=4 4243 B12R0.113 CC#CCSC[C@H](O)CC(=O)OC 62a_100000748600_100000754131 [0,1,0,0,0,0|1,0,2]=4 4244 B12R0.113 CC#CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000748600 [0,1,0,0,0,0|1,0,2]=4 4245 B12R0.113 CC/C=C\CCC(=O)CC(=O)OC 1458a_100000211351_100015370543 [0,1,0,0,0,0|0,0,3]=4 4246 B12R0.113 CC/C=C\CCN(C)CC(=O)OC 2230a_100000198492_100015370543 [0,1,0,0,0,0|1,0,2]=4 4247 B12R0.113 CC/C=C\COC(C)CC(=O)OC 34a_100016268518_100009817358 [0,1,0,0,0,0|1,0,2]=4 4248 B12R0.113 CC/C=C\CSC(C)CC(=O)OC 62a_100009817358_100103147603 [0,1,0,0,0,0|1,0,2]=4 4249 B12R0.113 CC/C=C\CSC(C)CC(=O)OC 62a_100103147603_100009817358 [0,1,0,0,0,0|1,0,2]=4 4250 B12R0.113 CC=CCSC[C@H](O)CC(=O)OC 62a_100000070051_100000754131 [0,1,0,0,0,0|1,0,2]=4 4251 B12R0.113 CC=CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000070051 [0,1,0,0,0,0|1,0,2]=4 4252 B12R0.113 CCC#CCOC(C)CC(=O)OC 34a_100000032950_100009817358 [0,1,0,0,0,0|1,0,2]=4 4253 B12R0.113 CCC#CCSC(C)CC(=O)OC 62a_100009813939_100009817358 [0,1,0,0,0,0|1,0,2]=4 4254 B12R0.113 CCC#CCSC(C)CC(=O)OC 62a_100009817358_100009813939 [0,1,0,0,0,0|1,0,2]=4 4255 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [0,1,0,0,0,0|2,0,1]=4 4256 B12R0.113 CCC(=O)CN(C)CCCCCO 269982a_100000722520_100000747405 [0,1,0,0,0,0|3,0,0]=4 4257 B12R0.113 CCC/C=C/CC(=O)CC(=O)OC 1458a_200016266809_100000747449 [0,1,0,0,0,0|0,0,3]=4 4258 B12R0.113 CCCCC=CC(=O)CC(=O)OC 1458a_100016266645_100000747449 [0,1,0,0,0,0|0,0,3]=4 4259 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,1,0,0,0,0|1,0,1]=3 4260 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [0,1,0,0,0,0|1,0,1]=3 4261 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [0,1,0,0,0,0|0,0,1]=2 4262 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [0,1,0,0,0,0|0,0,1]=2 4263 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [0,1,0,0,0,0|2,0,0]=3 4264 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [0,1,0,0,0,0|2,0,0]=3 4265 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [0,1,0,0,0,0|2,0,0]=3 4266 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [0,1,0,0,0,0|2,0,0]=3 4267 B12R0.113 CCCCCCC(C)NC(=O)CO 240690a_100000210919_100000210174 [0,1,0,0,0,0|3,0,0]=4 4268 B12R0.113 CCCCCCC(C)NC(=O)CO 527a_100000210919_100000210174 [0,1,0,0,0,0|3,0,0]=4 4269 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100000210919_106832991635 [0,1,0,0,0,0|2,0,0]=3 4270 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100102657272_100000210919 [0,1,0,0,0,0|2,0,0]=3 4271 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100000210919_100102657272 [0,1,0,0,0,0|2,0,0]=3 4272 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100102657272_100000210919 [0,1,0,0,0,0|2,0,0]=3 4273 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_100000210919_100102657272 [0,1,0,0,0,0|2,0,0]=3 4274 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_106832991638_100000210919 [0,1,0,0,0,0|2,0,0]=3 4275 B12R0.113 CCCCCCC(C)SC(C)OC 62a_100009879195_100011215978 [0,1,0,0,0,0|2,0,1]=4 4276 B12R0.113 CCCCCCC(C)SC(C)OC 62a_100011215978_100009879195 [0,1,0,0,0,0|2,0,1]=4 4277 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [0,1,0,0,0,0|2,0,0]=3 4278 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210314 [0,1,0,0,0,0|2,0,0]=3 4279 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_106256046315_100000183359 [0,1,0,0,0,0|2,0,0]=3 4280 B12R0.113 CCCCCCN(C)CC(=O)NC 269982a_106256046315_100000183359 [0,1,0,0,0,0|2,0,0]=3 4281 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210314 [0,1,0,0,0,0|1,0,0]=2 4282 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_106256046315_100000747449 [0,1,0,0,0,0|1,0,0]=2 4283 B12R0.113 CCCCCCN(C)CC(=O)OC 269982a_106256046315_100000747449 [0,1,0,0,0,0|1,0,0]=2 4284 B12R0.113 CCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230301 [0,1,0,0,0,0|2,0,1]=4 4285 B12R0.113 CCCCCNC(=O)CC(=O)OC 240690a_100000209983_100000211351 [0,1,0,0,0,0|1,0,1]=3 4286 B12R0.113 CCCCCNC(C)CC(=O)OC 2230a_100000209983_100009817358 [0,1,0,0,0,0|1,0,0]=2 4287 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [0,1,0,0,0,0|1,0,0]=2 4288 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [0,1,0,0,0,0|1,0,0]=2 4289 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100000210326_100009817358 [0,1,0,0,0,0|1,0,0]=2 4290 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100009817358_100000210326 [0,1,0,0,0,0|1,0,0]=2 4291 B12R0.113 CCCCNC[C@H](O)CC(=O)OC 7a_106832991798_100000754131 [0,1,0,0,0,0|1,0,0]=2 4292 B12R0.113 CCCCNN=C(C)CC(=O)OC 4a_100025702795_100000210079 [0,1,0,0,0,0|2,0,1]=4 4293 B12R0.113 CCCCNNC(=O)CC(=O)OC 22a_100025702795_100000211351 [0,1,0,0,0,0|2,0,1]=4 4294 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [0,1,0,0,0,0|2,0,1]=4 4295 B12R0.113 CCCCOCC(=O)CC(=O)NC 1458a_100000757543_100000183359 [0,1,0,0,0,0|2,0,1]=4 4296 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000211351_100011995733 [0,1,0,0,0,0|1,0,1]=3 4297 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000757543_100000747449 [0,1,0,0,0,0|1,0,1]=3 4298 B12R0.113 CCCCOCN(C)CC(=O)NC 2230a_100000189611_100011995733 [0,1,0,0,0,0|3,0,0]=4 4299 B12R0.113 CCCCOCN(C)CC(=O)OC 2230a_100000198492_100011995733 [0,1,0,0,0,0|2,0,0]=3 4300 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 34a_100000210227_100000754131 [0,1,0,0,0,0|1,0,0]=2 4301 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 7a_100000210227_100000754131 [0,1,0,0,0,0|1,0,0]=2 4302 B12R0.113 CCCCSCC(=O)CC(=O)CC 1458a_100000191162_100000747405 [0,1,0,0,0,0|2,0,1]=4 4303 B12R0.113 CCCCSCC(=O)CC(=O)NC 1458a_100000191162_100000183359 [0,1,0,0,0,0|2,0,1]=4 4304 B12R0.113 CCCCSCC(=O)CC(=O)OC 1458a_100000191162_100000747449 [0,1,0,0,0,0|1,0,1]=3 4305 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210211_100000210525 [0,1,0,0,0,0|1,0,1]=3 4306 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210210 [0,1,0,0,0,0|1,0,1]=3 4307 B12R0.113 CCCCSCC(=O)NC(=O)OC 62a_100000210211_100000010850 [0,1,0,0,0,0|2,0,1]=4 4308 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000210211_100000754131 [0,1,0,0,0,0|1,0,0]=2 4309 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210210 [0,1,0,0,0,0|1,0,0]=2 4310 B12R0.113 CCCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215938 [0,1,0,0,0,0|1,0,1]=3 4311 B12R0.113 CCCOCCN(C)CC(=O)NC 2230a_100000189611_100011215938 [0,1,0,0,0,0|3,0,0]=4 4312 B12R0.113 CCCOCCN(C)CC(=O)OC 2230a_100000198492_100011215938 [0,1,0,0,0,0|2,0,0]=3 4313 B12R0.113 CCOCCCC(=O)CC(=O)OC 1458a_100000211351_100012232248 [0,1,0,0,0,0|1,0,1]=3 4314 B12R0.113 CCOCCCN(C)CC(=O)NC 2230a_100000189611_100012232248 [0,1,0,0,0,0|3,0,0]=4 4315 B12R0.113 CCOCCCN(C)CC(=O)OC 2230a_100000198492_100012232248 [0,1,0,0,0,0|2,0,0]=3 4316 B12R0.113 CCOCCNC(=O)CC(=O)OC 240690a_100011200944_100000211351 [0,1,0,0,0,0|2,0,1]=4 4317 B12R0.113 CCOCCNC(C)CC(=O)OC 2230a_102516460346_100009817358 [0,1,0,0,0,0|2,0,0]=3 4318 B12R0.113 CCOCCNC(C)CC(=O)OC 34a_102516460346_100009817358 [0,1,0,0,0,0|2,0,0]=3 4319 B12R0.113 CCOCCOC(C)CC(=O)OC 34a_100000210136_100009817358 [0,1,0,0,0,0|2,0,0]=3 4320 B12R0.113 CCOCCOC(C)CC(=O)OC 7a_100000210136_100009817358 [0,1,0,0,0,0|2,0,0]=3 4321 B12R0.113 CCOCCSC(C)CC(=O)OC 62a_100000210147_100009817358 [0,1,0,0,0,0|2,0,0]=3 4322 B12R0.113 CCOCCSC(C)CC(=O)OC 62a_100009817358_100011215890 [0,1,0,0,0,0|2,0,0]=3 4323 B12R0.113 CCOCSCC(=O)CC(=O)OC 62a_100000210525_100000739092 [0,1,0,0,0,0|2,0,1]=4 4324 B12R0.113 CCOCSCC(=O)CC(=O)OC 62a_100000739092_100000210525 [0,1,0,0,0,0|2,0,1]=4 4325 B12R0.113 CCOCSC[C@H](O)CC(=O)OC 62a_100000739092_100000754131 [0,1,0,0,0,0|2,0,0]=3 4326 B12R0.113 CCOCSC[C@H](O)CC(=O)OC 62a_100000754131_100000739092 [0,1,0,0,0,0|2,0,0]=3 4327 B12R0.113 CCSCCNC(=O)CC(=O)OC 240690a_100000106463_100000211351 [0,1,0,0,0,0|2,0,1]=4 4328 B12R0.113 CCSCCNC(C)CC(=O)OC 2230a_100000106463_100009817358 [0,1,0,0,0,0|2,0,0]=3 4329 B12R0.113 CCSCCOC(C)CC(=O)OC 34a_100000212035_100009817358 [0,1,0,0,0,0|2,0,0]=3 4330 B12R0.113 CCSCCOC(C)CC(=O)OC 7a_100000212035_100009817358 [0,1,0,0,0,0|2,0,0]=3 4331 B12R0.113 CCSCCSC(C)CC(=O)OC 62a_100000757381_100009817358 [0,1,0,0,0,0|2,0,0]=3 4332 B12R0.113 CCSCCSC(C)CC(=O)OC 62a_100009817358_100000757381 [0,1,0,0,0,0|2,0,0]=3 4333 B12R0.113 CNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183359 [0,1,0,0,0,0|2,0,1]=4 4334 B12R0.113 CNC(=O)CN(C)CCCCCF 2230a_100000189611_100000729378 [0,1,0,0,0,0|3,0,0]=4 4335 B12R0.113 CNC(=O)CN(C)CCCCCO 2230a_100000189611_100000746330 [0,1,0,0,0,0|3,0,0]=4 4336 B12R0.113 CNC(=O)CN(C)CCCCCO 2230a_100000722520_100000183359 [0,1,0,0,0,0|3,0,0]=4 4337 B12R0.113 CNC(=O)CN(C)CCCCCO 269982a_100000722520_100000183359 [0,1,0,0,0,0|3,0,0]=4 4338 B12R0.113 CNC(=O)CN(C)CCCCOC 2230a_100000189611_100000730899 [0,1,0,0,0,0|3,0,0]=4 4339 B12R0.113 CNCCCOC(C)CC(=O)OC 34a_100000213112_100009817358 [0,1,0,0,0,0|2,0,0]=3 4340 B12R0.113 COC(=O)CC(=O)CCCCC#N 1458a_100000211351_100000211819 [0,1,0,0,0,0|1,0,2]=4 4341 B12R0.113 COC(=O)CC(=O)CCCCCF 1458a_100000211351_100000729378 [0,1,0,0,0,0|1,0,1]=3 4342 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100000211351_100000746330 [0,1,0,0,0,0|1,0,1]=3 4343 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747449 [0,1,0,0,0,0|1,0,1]=3 4344 B12R0.113 COC(=O)CC(=O)CCOCCO 1458a_100000211351_100011215305 [0,1,0,0,0,0|2,0,1]=4 4345 B12R0.113 COC(=O)CC(=O)CCOCCO 1458a_100011229844_100000747449 [0,1,0,0,0,0|2,0,1]=4 4346 B12R0.113 COC(=O)CC(=O)CSCCCF 62a_100000210525_100011934791 [0,1,0,0,0,0|2,0,1]=4 4347 B12R0.113 COC(=O)CC(=O)CSCCCF 62a_100011934791_100000210525 [0,1,0,0,0,0|2,0,1]=4 4348 B12R0.113 COC(=O)CC(=O)CSCCCO 62a_100000210525_100011215043 [0,1,0,0,0,0|2,0,1]=4 4349 B12R0.113 COC(=O)CC(=O)CSCCCO 62a_100011215043_100000210525 [0,1,0,0,0,0|2,0,1]=4 4350 B12R0.113 COC(=O)CC(=O)CSCCSC 62a_100000210525_100000751147 [0,1,0,0,0,0|2,0,1]=4 4351 B12R0.113 COC(=O)CC(=O)CSCCSC 62a_100000212216_100000210525 [0,1,0,0,0,0|2,0,1]=4 4352 B12R0.113 COC(=O)CC(=O)NCCCCO 240690a_100000750430_100000211351 [0,1,0,0,0,0|2,0,1]=4 4353 B12R0.113 COC(=O)CC(=O)NCCCSC 240690a_100000749238_100000211351 [0,1,0,0,0,0|2,0,1]=4 4354 B12R0.113 COC(=O)CC(C)NCCCCO 2230a_100000750430_100009817358 [0,1,0,0,0,0|2,0,0]=3 4355 B12R0.113 COC(=O)CC(C)NCCCCO 34a_100000750430_100009817358 [0,1,0,0,0,0|2,0,0]=3 4356 B12R0.113 COC(=O)CC(C)NCCCSC 2230a_100000749238_100009817358 [0,1,0,0,0,0|2,0,0]=3 4357 B12R0.113 COC(=O)CC(C)OCCCCBr 34a_100011216708_100009817358 [0,1,0,0,0,0|2,0,0]=3 4358 B12R0.113 COC(=O)CC(C)OCCCCCl 34a_100000210776_100009817358 [0,1,0,0,0,0|2,0,0]=3 4359 B12R0.113 COC(=O)CC(C)OCCCCCl 7a_100000210776_100009817358 [0,1,0,0,0,0|2,0,0]=3 4360 B12R0.113 COC(=O)CC(C)OCCCCF 34a_100011995726_100009817358 [0,1,0,0,0,0|2,0,0]=3 4361 B12R0.113 COC(=O)CC(C)OCCCCF 7a_100011995726_100009817358 [0,1,0,0,0,0|2,0,0]=3 4362 B12R0.113 COC(=O)CC(C)OCCCCI 34a_200012148704_100009817358 [0,1,0,0,0,0|2,0,0]=3 4363 B12R0.113 COC(=O)CC(C)OCCCCN 34a_100000750430_100009817358 [0,1,0,0,0,0|2,0,0]=3 4364 B12R0.113 COC(=O)CC(C)OCCCSC 34a_100000690336_100009817358 [0,1,0,0,0,0|2,0,0]=3 4365 B12R0.113 COC(=O)CC(C)OCCCSC 7a_100000690336_100009817358 [0,1,0,0,0,0|2,0,0]=3 4366 B12R0.113 COC(=O)CC(C)SCCCC#N 62a_100000687738_100009817358 [0,1,0,0,0,0|2,0,1]=4 4367 B12R0.113 COC(=O)CC(C)SCCCC#N 62a_100009817358_100000687738 [0,1,0,0,0,0|2,0,1]=4 4368 B12R0.113 COC(=O)CC(C)SCCCC=O 62a_100009817358_200011292268 [0,1,0,0,0,0|2,0,1]=4 4369 B12R0.113 COC(=O)CC(C)SCCCC=O 62a_200011292268_100009817358 [0,1,0,0,0,0|2,0,1]=4 4370 B12R0.113 COC(=O)CC(C)SCCCCF 62a_100000729493_100009817358 [0,1,0,0,0,0|2,0,0]=3 4371 B12R0.113 COC(=O)CC(C)SCCCCF 62a_100009817358_100000729493 [0,1,0,0,0,0|2,0,0]=3 4372 B12R0.113 COC(=O)CC(C)SCCCCO 62a_100000210776_100009817358 [0,1,0,0,0,0|2,0,0]=3 4373 B12R0.113 COC(=O)CC(C)SCCCCO 62a_100009817358_100000210776 [0,1,0,0,0,0|2,0,0]=3 4374 B12R0.113 COC(=O)CN(C)CCCCC#N 2230a_100000198492_100000211819 [0,1,0,0,0,0|2,0,1]=4 4375 B12R0.113 COC(=O)CN(C)CCCCC=O 2230a_100000198492_100000139335 [0,1,0,0,0,0|2,0,1]=4 4376 B12R0.113 COC(=O)CN(C)CCCCCF 2230a_100000198492_100000729378 [0,1,0,0,0,0|2,0,0]=3 4377 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000198492_100000746330 [0,1,0,0,0,0|2,0,0]=3 4378 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000722520_100000747449 [0,1,0,0,0,0|2,0,0]=3 4379 B12R0.113 COC(=O)CN(C)CCCCCO 269982a_100000722520_100000747449 [0,1,0,0,0,0|2,0,0]=3 4380 B12R0.113 COC(=O)CN(C)CCOCCO 2230a_100000198492_100011215305 [0,1,0,0,0,0|3,0,0]=4 4381 B12R0.113 COC(=O)CN(C)CCOCCO 2230a_100000228057_100000747449 [0,1,0,0,0,0|3,0,0]=4 4382 B12R0.113 COC(=O)CN(C)CCOCCO 269982a_100000228057_100000747449 [0,1,0,0,0,0|3,0,0]=4 4383 B12R0.113 COC(=O)C[C@@H](O)CNCCCF 34a_100015189416_100000754131 [0,1,0,0,0,0|2,0,0]=3 4384 B12R0.113 COC(=O)C[C@@H](O)COCCCBr 34a_100011217188_100000754131 [0,1,0,0,0,0|2,0,0]=3 4385 B12R0.113 COC(=O)C[C@@H](O)COCCCCl 34a_100000230001_100000754131 [0,1,0,0,0,0|2,0,0]=3 4386 B12R0.113 COC(=O)C[C@@H](O)COCCCF 34a_100000759539_100000754131 [0,1,0,0,0,0|2,0,0]=3 4387 B12R0.113 COC(=O)C[C@@H](O)COCCCN 34a_100000182051_100000754131 [0,1,0,0,0,0|2,0,0]=3 4388 B12R0.113 COC(=O)C[C@@H](O)COCCON 34a_100000700252_100000754131 [0,1,0,0,0,0|3,0,0]=4 4389 B12R0.113 COC(=O)C[C@@H](O)COCCSC 34a_100000230434_100000754131 [0,1,0,0,0,0|2,0,0]=3 4390 B12R0.113 COC(=O)C[C@@H](O)COCCSC 7a_100000230434_100000754131 [0,1,0,0,0,0|2,0,0]=3 4391 B12R0.113 COC(=O)C[C@@H](O)CSCCC#N 62a_100000754131_100011215226 [0,1,0,0,0,0|2,0,1]=4 4392 B12R0.113 COC(=O)C[C@@H](O)CSCCC#N 62a_100011215226_100000754131 [0,1,0,0,0,0|2,0,1]=4 4393 B12R0.113 COC(=O)C[C@@H](O)CSCCCF 62a_100000754131_100011934791 [0,1,0,0,0,0|2,0,0]=3 4394 B12R0.113 COC(=O)C[C@@H](O)CSCCCF 62a_100011934791_100000754131 [0,1,0,0,0,0|2,0,0]=3 4395 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100000754131_100011215043 [0,1,0,0,0,0|2,0,0]=3 4396 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100011215043_100000754131 [0,1,0,0,0,0|2,0,0]=3 4397 B12R0.113 COC(=O)C[C@@H](O)CSCCSC 62a_100000212216_100000754131 [0,1,0,0,0,0|2,0,0]=3 4398 B12R0.113 COC(=O)C[C@@H](O)CSCCSC 62a_100000754131_100000751147 [0,1,0,0,0,0|2,0,0]=3 4399 B12R0.113 COCCCCC(=O)CC(=O)OC 1458a_100000211351_100000755781 [0,1,0,0,0,0|1,0,1]=3 4400 B12R0.113 COCCCCN(C)CC(=O)OC 2230a_100000198492_100000730899 [0,1,0,0,0,0|2,0,0]=3 4401 B12R0.113 COCCCNC(=O)CC(=O)OC 240690a_100150723488_100000211351 [0,1,0,0,0,0|2,0,1]=4 4402 B12R0.113 COCCCNC(C)CC(=O)OC 34a_100150723488_100009817358 [0,1,0,0,0,0|2,0,0]=3 4403 B12R0.113 COCCCOC(C)CC(=O)OC 34a_100000740835_100009817358 [0,1,0,0,0,0|2,0,0]=3 4404 B12R0.113 COCCCSC(C)CC(=O)OC 62a_100000709357_100009817358 [0,1,0,0,0,0|2,0,0]=3 4405 B12R0.113 COCCCSC(C)CC(=O)OC 62a_100009817358_100000709357 [0,1,0,0,0,0|2,0,0]=3 4406 B12R0.113 COCCOCC(=O)CC(=O)OC 1458a_100000211095_100000747449 [0,1,0,0,0,0|2,0,1]=4 4407 B12R0.113 COCCOCN(C)CC(=O)OC 2230a_100000198492_100000231047 [0,1,0,0,0,0|3,0,0]=4 4408 B12R0.113 COCCOC[C@H](O)CC(=O)OC 34a_100000210237_100000754131 [0,1,0,0,0,0|2,0,0]=3 4409 B12R0.113 COCCSCC(=O)CC(=O)OC 62a_100000210525_100000233755 [0,1,0,0,0,0|2,0,1]=4 4410 B12R0.113 COCCSCC(=O)CC(=O)OC 62a_100000233755_100000210525 [0,1,0,0,0,0|2,0,1]=4 4411 B12R0.113 COCCSC[C@H](O)CC(=O)OC 62a_100000233755_100000754131 [0,1,0,0,0,0|2,0,0]=3 4412 B12R0.113 COCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000233755 [0,1,0,0,0,0|2,0,0]=3 4413 B12R0.142 C#CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000731252 [0,1,0,0,0,0|0,0,3]=4 4414 B12R0.142 C#CCCCN(C)CCC(=O)OC 269982a_100025711912_100011215417 [0,1,0,0,0,0|1,0,2]=4 4415 B12R0.142 C=CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000757094 [0,1,0,0,0,0|0,0,3]=4 4416 B12R0.142 C=CCCCN(C)CCC(=O)OC 269982a_100025711912_100000757094 [0,1,0,0,0,0|1,0,2]=4 4417 B12R0.142 CC/C=C\CC(=O)CCC(=O)OC 1458a_100000187943_100103147603 [0,1,0,0,0,0|0,0,3]=4 4418 B12R0.142 CC/C=C\CN(C)CCC(=O)OC 269982a_100025711912_100103147603 [0,1,0,0,0,0|1,0,2]=4 4419 B12R0.142 CCC#CCC(=O)CCC(=O)OC 1458a_100000187943_100009813939 [0,1,0,0,0,0|0,0,3]=4 4420 B12R0.142 CCC#CCC(C)OCC(=O)OC 34a_200000035118_100000747449 [0,1,0,0,0,0|1,0,2]=4 4421 B12R0.142 CCC#CCC(C)OCC(=O)OC 7a_200000035118_100000747449 [0,1,0,0,0,0|1,0,2]=4 4422 B12R0.142 CCC(=O)COC(C)CCCOC 7a_200011539412_100000747405 [0,1,0,0,0,0|3,0,0]=4 4423 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [0,1,0,0,0,0|1,0,1]=3 4424 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [0,1,0,0,0,0|0,0,1]=2 4425 B12R0.142 CCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210326 [0,1,0,0,0,0|2,0,1]=4 4426 B12R0.142 CCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210326 [0,1,0,0,0,0|2,0,1]=4 4427 B12R0.142 CCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210326 [0,1,0,0,0,0|1,0,1]=3 4428 B12R0.142 CCCCCC(=O)NCC(=O)NC 11a_100000693194_100000212188 [0,1,0,0,0,0|2,0,1]=4 4429 B12R0.142 CCCCCC(=O)NCC(=O)NC 240690a_100000693194_100000212188 [0,1,0,0,0,0|2,0,1]=4 4430 B12R0.142 CCCCCC(=O)NCC(=O)NC 527a_100000693194_100000212188 [0,1,0,0,0,0|2,0,1]=4 4431 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [0,1,0,0,0,0|1,0,1]=3 4432 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [0,1,0,0,0,0|1,0,0]=2 4433 B12R0.142 CCCCCC(C)CCC(=O)CF 1458a_100000034243_100015361967 [0,1,0,0,0,0|2,0,0]=3 4434 B12R0.142 CCCCCC(C)CCC(=O)NC 11a_106832991635_100000034243 [0,1,0,0,0,0|1,0,0]=2 4435 B12R0.142 CCCCCC(C)CCC(=O)NC 1626a_100102657272_100000034243 [0,1,0,0,0,0|1,0,0]=2 4436 B12R0.142 CCCCCC(C)CCC(=O)NC 240690a_100102657272_100000034243 [0,1,0,0,0,0|1,0,0]=2 4437 B12R0.142 CCCCCC(C)CCC(=O)NC 527a_100102657272_100000034243 [0,1,0,0,0,0|1,0,0]=2 4438 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000211957_100000183359 [0,1,0,0,0,0|2,0,0]=3 4439 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000693194_200011218191 [0,1,0,0,0,0|2,0,0]=3 4440 B12R0.142 CCCCCC(C)NCC(=O)NC 270004a_100000693194_100000211708 [0,1,0,0,0,0|2,0,0]=3 4441 B12R0.142 CCCCCC(C)NCC(=O)OC 2230a_100000211957_100000747449 [0,1,0,0,0,0|1,0,0]=2 4442 B12R0.142 CCCCCC(C)NC[C@@H](C)OC 2230a_100020591295_200011218191 [0,1,0,0,0,0|2,0,1]=4 4443 B12R0.142 CCCCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000211708 [0,1,0,0,0,0|2,0,1]=4 4444 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,1,0,0,0,0|2,0,0]=3 4445 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,1,0,0,0,0|2,0,0]=3 4446 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100000750040_200011218191 [0,1,0,0,0,0|2,0,0]=3 4447 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100011215632_100000183359 [0,1,0,0,0,0|2,0,0]=3 4448 B12R0.142 CCCCCC(C)OCC(=O)NC 7a_100011215632_100000183359 [0,1,0,0,0,0|2,0,0]=3 4449 B12R0.142 CCCCCC(C)OCC(=O)OC 34a_100011215632_100000747449 [0,1,0,0,0,0|1,0,0]=2 4450 B12R0.142 CCCCCC(C)OCC(=O)OC 7a_100011215632_100000747449 [0,1,0,0,0,0|1,0,0]=2 4451 B12R0.142 CCCCCC(C)OCC(C)OC 34a_100000690652_200011218191 [0,1,0,0,0,0|2,0,1]=4 4452 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_100000747405_200011218191 [0,1,0,0,0,0|2,0,0]=3 4453 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_200011218191_100000747405 [0,1,0,0,0,0|2,0,0]=3 4454 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_100000183359_200011218191 [0,1,0,0,0,0|2,0,0]=3 4455 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_200011218191_100000183359 [0,1,0,0,0,0|2,0,0]=3 4456 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_100000747449_200011218191 [0,1,0,0,0,0|1,0,0]=2 4457 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_200011218191_100000747449 [0,1,0,0,0,0|1,0,0]=2 4458 B12R0.142 CCCCCN(C)CCC(=O)CC 1458a_100016987678_100000210202 [0,1,0,0,0,0|2,0,0]=3 4459 B12R0.142 CCCCCN(C)CCC(=O)CF 1458a_100016987678_100015361967 [0,1,0,0,0,0|3,0,0]=4 4460 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000223495_100000737683 [0,1,0,0,0,0|2,0,0]=3 4461 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210326 [0,1,0,0,0,0|2,0,0]=3 4462 B12R0.142 CCCCCN(C)CCC(=O)NC 240690a_100102657272_100016987678 [0,1,0,0,0,0|2,0,0]=3 4463 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000223495_100000737683 [0,1,0,0,0,0|2,0,0]=3 4464 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210215 [0,1,0,0,0,0|2,0,0]=3 4465 B12R0.142 CCCCCN(C)CCC(=O)OC 2230a_100000223495_100000204255 [0,1,0,0,0,0|1,0,0]=2 4466 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100000223495_100000204255 [0,1,0,0,0,0|1,0,0]=2 4467 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210215 [0,1,0,0,0,0|1,0,0]=2 4468 B12R0.142 CCCCNC(=O)CCC(=O)NC 11a_100000102301_100011309844 [0,1,0,0,0,0|2,0,1]=4 4469 B12R0.142 CCCCNC(=O)CCC(=O)NC 1626a_100000102301_100011309844 [0,1,0,0,0,0|2,0,1]=4 4470 B12R0.142 CCCCNC(=O)CCC(=O)NC 240690a_100000102301_100011309844 [0,1,0,0,0,0|2,0,1]=4 4471 B12R0.142 CCCCNC(=O)CCC(=O)NC 527a_100000102301_100011309844 [0,1,0,0,0,0|2,0,1]=4 4472 B12R0.142 CCCCNC(=O)CCC(=O)OC 11a_100000102301_100000187943 [0,1,0,0,0,0|1,0,1]=3 4473 B12R0.142 CCCCNC(=O)CCC(=O)OC 1626a_100000102301_100000187943 [0,1,0,0,0,0|1,0,1]=3 4474 B12R0.142 CCCCNC(=O)CCC(=O)OC 240690a_100000102301_100000187943 [0,1,0,0,0,0|1,0,1]=3 4475 B12R0.142 CCCCNC(=O)CCC(=O)OC 527a_100000102301_100000187943 [0,1,0,0,0,0|1,0,1]=3 4476 B12R0.142 CCCCNC(=O)CNC(=O)OC 11a_100000102301_100000215747 [0,1,0,0,0,0|2,0,1]=4 4477 B12R0.142 CCCCNC(=O)CNC(=O)OC 1626a_100000102301_100000215747 [0,1,0,0,0,0|2,0,1]=4 4478 B12R0.142 CCCCNC(=O)CNC(=O)OC 240690a_100000102301_100000215747 [0,1,0,0,0,0|2,0,1]=4 4479 B12R0.142 CCCCNC(=O)CNC(=O)OC 527a_100000102301_100000215747 [0,1,0,0,0,0|2,0,1]=4 4480 B12R0.142 CCCNN=C(C)CCC(=O)OC 4a_100000740057_100000756497 [0,1,0,0,0,0|2,0,1]=4 4481 B12R0.142 CCCOCC(=O)CCC(=O)OC 34a_100000210258_100000691467 [0,1,0,0,0,0|1,0,1]=3 4482 B12R0.142 CCCOCC(=O)NCC(=O)OC 188690a_100000185156_100000745993 [0,1,0,0,0,0|2,0,1]=4 4483 B12R0.142 CCCOCC(=O)NCC(=O)OC 34a_100000210258_100000182966 [0,1,0,0,0,0|2,0,1]=4 4484 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000210303_100000691467 [0,1,0,0,0,0|1,0,1]=3 4485 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210303 [0,1,0,0,0,0|1,0,1]=3 4486 B12R0.142 CCCSCC(=O)NCC(=O)OC 188690a_100000185156_100000217233 [0,1,0,0,0,0|2,0,1]=4 4487 B12R0.142 CCCSCC(=O)NCC(=O)OC 62a_100000182966_100000210303 [0,1,0,0,0,0|2,0,1]=4 4488 B12R0.142 CCCSCC(=O)NCC(=O)OC 62a_100000210303_100000182966 [0,1,0,0,0,0|2,0,1]=4 4489 B12R0.142 CCCSCC(C)NCC(=O)NC 270004a_100000693194_100011343953 [0,1,0,0,0,0|3,0,0]=4 4490 B12R0.142 CCOCCC(=O)CCC(=O)NC 1458a_100011309844_100011215890 [0,1,0,0,0,0|2,0,1]=4 4491 B12R0.142 CCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215890 [0,1,0,0,0,0|1,0,1]=3 4492 B12R0.142 CCOCCC(=O)CNC(=O)OC 1458a_100000215747_100011215890 [0,1,0,0,0,0|2,0,1]=4 4493 B12R0.142 CCOCCC(=O)NCC(=O)OC 188690a_100000185156_100000749530 [0,1,0,0,0,0|2,0,1]=4 4494 B12R0.142 CCOCCC(C)NCC(=O)NC 270004a_100000693194_200011216536 [0,1,0,0,0,0|3,0,0]=4 4495 B12R0.142 CCOCCN(C)CCC(=O)NC 2230a_100000750875_100011215890 [0,1,0,0,0,0|3,0,0]=4 4496 B12R0.142 CCOCCN(C)CCC(=O)NC 269982a_100000750875_100011215890 [0,1,0,0,0,0|3,0,0]=4 4497 B12R0.142 CCOCCN(C)CCC(=O)OC 269982a_100025711912_100011215890 [0,1,0,0,0,0|2,0,0]=3 4498 B12R0.142 CCSCCC(=O)CCC(=O)NC 1458a_100011309844_100000757381 [0,1,0,0,0,0|2,0,1]=4 4499 B12R0.142 CCSCCC(=O)CCC(=O)OC 1458a_100000187943_100000757381 [0,1,0,0,0,0|1,0,1]=3 4500 B12R0.142 CCSCCC(=O)CNC(=O)OC 1458a_100000215747_100000757381 [0,1,0,0,0,0|2,0,1]=4 4501 B12R0.142 CCSCCC(=O)NCC(=O)OC 188690a_100000185156_100000230768 [0,1,0,0,0,0|2,0,1]=4 4502 B12R0.142 CCSCCN(C)CCC(=O)NC 2230a_100000750875_100000757381 [0,1,0,0,0,0|3,0,0]=4 4503 B12R0.142 CCSCCN(C)CCC(=O)NC 269982a_100000750875_100000757381 [0,1,0,0,0,0|3,0,0]=4 4504 B12R0.142 CCSCCN(C)CCC(=O)OC 269982a_100025711912_100000757381 [0,1,0,0,0,0|2,0,0]=3 4505 B12R0.142 CNC(=O)CCC(=O)CCCCF 1458a_100011309844_100000729493 [0,1,0,0,0,0|2,0,1]=4 4506 B12R0.142 CNC(=O)CCC(=O)CCCCO 1458a_100011309844_100000210776 [0,1,0,0,0,0|2,0,1]=4 4507 B12R0.142 CNC(=O)CCC(=O)CCCOC 1458a_100011309844_100000740836 [0,1,0,0,0,0|2,0,1]=4 4508 B12R0.142 CNC(=O)CCN(C)CCCCF 2230a_100000750875_100000729493 [0,1,0,0,0,0|3,0,0]=4 4509 B12R0.142 CNC(=O)CCN(C)CCCCF 269982a_100000750875_100000729493 [0,1,0,0,0,0|3,0,0]=4 4510 B12R0.142 CNC(=O)CCN(C)CCCCO 2230a_100000717598_100000737683 [0,1,0,0,0,0|3,0,0]=4 4511 B12R0.142 CNC(=O)CCN(C)CCCCO 2230a_100000750875_100000210776 [0,1,0,0,0,0|3,0,0]=4 4512 B12R0.142 CNC(=O)CCN(C)CCCCO 269982a_100000717598_100000737683 [0,1,0,0,0,0|3,0,0]=4 4513 B12R0.142 CNC(=O)CCN(C)CCCCO 269982a_100000750875_100000210776 [0,1,0,0,0,0|3,0,0]=4 4514 B12R0.142 CNC(=O)CCN(C)CCCOC 2230a_100000224831_100000737683 [0,1,0,0,0,0|3,0,0]=4 4515 B12R0.142 CNC(=O)CCN(C)CCCOC 2230a_100000750875_100000740836 [0,1,0,0,0,0|3,0,0]=4 4516 B12R0.142 CNC(=O)CCN(C)CCCOC 269982a_100000224831_100000737683 [0,1,0,0,0,0|3,0,0]=4 4517 B12R0.142 CNC(=O)CCN(C)CCCOC 269982a_100000750875_100000740836 [0,1,0,0,0,0|3,0,0]=4 4518 B12R0.142 CNC(=O)CNC(C)CCCSC 270004a_100000693194_100011399439 [0,1,0,0,0,0|3,0,0]=4 4519 B12R0.142 CNC(=O)COC(C)CCCOC 34a_200011539412_100000183359 [0,1,0,0,0,0|3,0,0]=4 4520 B12R0.142 CNC(=O)COC(C)CCCOC 7a_200011539412_100000183359 [0,1,0,0,0,0|3,0,0]=4 4521 B12R0.142 COC(=O)CCC(=O)CCCC#N 1458a_100000187943_100000211468 [0,1,0,0,0,0|1,0,2]=4 4522 B12R0.142 COC(=O)CCC(=O)CCCCF 1458a_100000187943_100000729493 [0,1,0,0,0,0|1,0,1]=3 4523 B12R0.142 COC(=O)CCC(=O)CCCCO 1458a_100000187943_100000210776 [0,1,0,0,0,0|1,0,1]=3 4524 B12R0.142 COC(=O)CCC(=O)CNCCF 34a_100000724931_100000691467 [0,1,0,0,0,0|2,0,1]=4 4525 B12R0.142 COC(=O)CCC(=O)CNCCO 2230a_100016997473_100000691467 [0,1,0,0,0,0|2,0,1]=4 4526 B12R0.142 COC(=O)CCC(=O)CNCCO 34a_100016990907_100000691467 [0,1,0,0,0,0|2,0,1]=4 4527 B12R0.142 COC(=O)CCC(=O)COCCBr 34a_100000211926_100000691467 [0,1,0,0,0,0|2,0,1]=4 4528 B12R0.142 COC(=O)CCC(=O)COCCN 34a_100000210304_100000691467 [0,1,0,0,0,0|2,0,1]=4 4529 B12R0.142 COC(=O)CCC(=O)CSCCF 62a_100000691467_100011217306 [0,1,0,0,0,0|2,0,1]=4 4530 B12R0.142 COC(=O)CCC(=O)CSCCF 62a_100011217306_100000691467 [0,1,0,0,0,0|2,0,1]=4 4531 B12R0.142 COC(=O)CCC(=O)CSCCO 62a_100000211926_100000691467 [0,1,0,0,0,0|2,0,1]=4 4532 B12R0.142 COC(=O)CCC(=O)CSCCO 62a_100000691467_100000211926 [0,1,0,0,0,0|2,0,1]=4 4533 B12R0.142 COC(=O)CCC(=O)CSCSC 62a_100000691467_100011218213 [0,1,0,0,0,0|2,0,1]=4 4534 B12R0.142 COC(=O)CCC(=O)CSCSC 62a_100011218213_100000691467 [0,1,0,0,0,0|2,0,1]=4 4535 B12R0.142 COC(=O)CCC(=O)NCCCF 11a_100015189416_100000187943 [0,1,0,0,0,0|2,0,1]=4 4536 B12R0.142 COC(=O)CCC(=O)NCCCF 1626a_100015189416_100000187943 [0,1,0,0,0,0|2,0,1]=4 4537 B12R0.142 COC(=O)CCC(=O)NCCCF 240690a_100015189416_100000187943 [0,1,0,0,0,0|2,0,1]=4 4538 B12R0.142 COC(=O)CCC(=O)NCCCF 527a_100015189416_100000187943 [0,1,0,0,0,0|2,0,1]=4 4539 B12R0.142 COC(=O)CCC(=O)NCCCO 240690a_100000182051_100000187943 [0,1,0,0,0,0|2,0,1]=4 4540 B12R0.142 COC(=O)CCC(=O)NCCCO 527a_100000182051_100000187943 [0,1,0,0,0,0|2,0,1]=4 4541 B12R0.142 COC(=O)CCC(=O)NCCSC 11a_100020590264_100000187943 [0,1,0,0,0,0|2,0,1]=4 4542 B12R0.142 COC(=O)CCC(=O)NCCSC 1626a_100020590264_100000187943 [0,1,0,0,0,0|2,0,1]=4 4543 B12R0.142 COC(=O)CCC(=O)NCCSC 240690a_100020590264_100000187943 [0,1,0,0,0,0|2,0,1]=4 4544 B12R0.142 COC(=O)CCC(=O)NCCSC 527a_100020590264_100000187943 [0,1,0,0,0,0|2,0,1]=4 4545 B12R0.142 COC(=O)CCN(C)CCCC#N 269982a_100025711912_100000687738 [0,1,0,0,0,0|2,0,1]=4 4546 B12R0.142 COC(=O)CCN(C)CCCC=O 269982a_100025711912_200011292268 [0,1,0,0,0,0|2,0,1]=4 4547 B12R0.142 COC(=O)CCN(C)CCCCF 269982a_100025711912_100000729493 [0,1,0,0,0,0|2,0,0]=3 4548 B12R0.142 COC(=O)CCN(C)CCCCO 2230a_100000717598_100000204255 [0,1,0,0,0,0|2,0,0]=3 4549 B12R0.142 COC(=O)CCN(C)CCCCO 269982a_100000717598_100000204255 [0,1,0,0,0,0|2,0,0]=3 4550 B12R0.142 COC(=O)CCN(C)CCCCO 269982a_100025711912_100000210776 [0,1,0,0,0,0|2,0,0]=3 4551 B12R0.142 COC(=O)CNC(=O)CCCCO 188690a_100000185156_100000695505 [0,1,0,0,0,0|2,0,1]=4 4552 B12R0.142 COC(=O)CNC(=O)CCCSC 188690a_100000185156_100000173376 [0,1,0,0,0,0|2,0,1]=4 4553 B12R0.142 COC(=O)NCC(=O)CCCCF 1458a_100000215747_100000729493 [0,1,0,0,0,0|2,0,1]=4 4554 B12R0.142 COC(=O)NCC(=O)CCCCO 1458a_100000215747_100000210776 [0,1,0,0,0,0|2,0,1]=4 4555 B12R0.142 COCCCC(=O)CCC(=O)OC 1458a_100000187943_100000740836 [0,1,0,0,0,0|1,0,1]=3 4556 B12R0.142 COCCCC(=O)CNC(=O)OC 1458a_100000215747_100000740836 [0,1,0,0,0,0|2,0,1]=4 4557 B12R0.142 COCCCC(=O)NCC(=O)OC 188690a_100000185156_100000741012 [0,1,0,0,0,0|2,0,1]=4 4558 B12R0.142 COCCCC(C)OCC(=O)OC 34a_200011539412_100000747449 [0,1,0,0,0,0|2,0,0]=3 4559 B12R0.142 COCCCC(C)OCC(=O)OC 7a_200011539412_100000747449 [0,1,0,0,0,0|2,0,0]=3 4560 B12R0.142 COCCCN(C)CCC(=O)OC 2230a_100000224831_100000204255 [0,1,0,0,0,0|2,0,0]=3 4561 B12R0.142 COCCCN(C)CCC(=O)OC 269982a_100000224831_100000204255 [0,1,0,0,0,0|2,0,0]=3 4562 B12R0.142 COCCCN(C)CCC(=O)OC 269982a_100025711912_100000740836 [0,1,0,0,0,0|2,0,0]=3 4563 B12R0.142 COCCNC(=O)CCC(=O)OC 1626a_100000209980_100000187943 [0,1,0,0,0,0|2,0,1]=4 4564 B12R0.142 COCCNC(=O)CCC(=O)OC 240690a_100000209980_100000187943 [0,1,0,0,0,0|2,0,1]=4 4565 B12R0.142 COCCNC(=O)CCC(=O)OC 527a_100000209980_100000187943 [0,1,0,0,0,0|2,0,1]=4 4566 B12R0.142 COCSCC(=O)CCC(=O)OC 62a_100000691467_100000766300 [0,1,0,0,0,0|2,0,1]=4 4567 B12R0.142 COCSCC(=O)CCC(=O)OC 62a_100000766300_100000691467 [0,1,0,0,0,0|2,0,1]=4 4568 B12R0.183 C#CC(=O)CCCCCC(=O)OC 1458a_100000211873_100009816466 [0,1,0,0,0,0|0,0,3]=4 4569 B12R0.183 C#CC(C)NCCCCC(=O)OC 2230a_100000707721_100000204269 [0,1,0,0,0,0|1,0,2]=4 4570 B12R0.183 C#CC(C)NCCCCC(=O)OC 34a_100000707721_100000204269 [0,1,0,0,0,0|1,0,2]=4 4571 B12R0.183 C#CC(C)OCCCCC(=O)OC 34a_100000059025_200000035995 [0,1,0,0,0,0|1,0,2]=4 4572 B12R0.183 C#CC(C)SCCCCC(=O)OC 62a_200000035995_100000204269 [0,1,0,0,0,0|1,0,2]=4 4573 B12R0.183 C#CC(O)CCCCCC(=O)CC 1458a_100000210414_200010408556 [0,1,0,0,0,0|1,0,2]=4 4574 B12R0.183 C#C[C@@H](C)OCCCCC(=O)OC 34a_100009815206_100000204269 [0,1,0,0,0,0|1,0,2]=4 4575 B12R0.183 C#C[C@@H](C)OCCCCC(=O)OC 7a_100009815206_100000204269 [0,1,0,0,0,0|1,0,2]=4 4576 B12R0.183 C=CC(=O)CCCCCC(=O)OC 1458a_100000185746_100009816466 [0,1,0,0,0,0|0,0,3]=4 4577 B12R0.183 C=CC(C)COCCCC(=O)OC 34a_100011215527_100000742333 [0,1,0,0,0,0|1,0,2]=4 4578 B12R0.183 C=CC(C)COCCCC(=O)OC 7a_100011215527_100011218270 [0,1,0,0,0,0|1,0,2]=4 4579 B12R0.183 C=CC(C)OCCCCC(=O)OC 34a_100000695699_100000204269 [0,1,0,0,0,0|1,0,2]=4 4580 B12R0.183 C=CC(C)SCCCCC(=O)OC 62a_100011215867_100000204269 [0,1,0,0,0,0|1,0,2]=4 4581 B12R0.183 C=CC(O)CSCCCC(=O)OC 62a_100000730141_100011218270 [0,1,0,0,0,0|1,0,2]=4 4582 B12R0.183 C=CC(O)CSCCCC(=O)OC 62a_100011218270_100000730141 [0,1,0,0,0,0|1,0,2]=4 4583 B12R0.183 C=C[C@H](N)COCCCC(=O)OC 34a_100016989147_100000742333 [0,1,0,0,0,0|1,0,2]=4 4584 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [0,1,0,0,0,0|0,0,1]=2 4585 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [0,1,0,0,0,0|0,0,1]=2 4586 B12R0.183 CCC(=O)COCCCC(=O)NC 34a_100000725409_100000741757 [0,1,0,0,0,0|2,0,1]=4 4587 B12R0.183 CCC(=O)COCCCC(=O)OC 34a_100000725409_100000742333 [0,1,0,0,0,0|1,0,1]=3 4588 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [0,1,0,0,0,0|2,0,0]=3 4589 B12R0.183 CCC(=O)CSCCCC(=O)NC 62a_100000741757_100000747405 [0,1,0,0,0,0|2,0,1]=4 4590 B12R0.183 CCC(=O)CSCCCC(=O)NC 62a_100000747405_100000741757 [0,1,0,0,0,0|2,0,1]=4 4591 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100000747405_100011218270 [0,1,0,0,0,0|1,0,1]=3 4592 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100011218270_100000747405 [0,1,0,0,0,0|1,0,1]=3 4593 B12R0.183 CCC(=O)CSCCCN(C)CC 62a_100000747405_100015186262 [0,1,0,0,0,0|3,0,0]=4 4594 B12R0.183 CCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210414 [0,1,0,0,0,0|1,0,1]=3 4595 B12R0.183 CCC(=O)NCCNCC(=O)OC 34a_100132302217_100000747449 [0,1,0,0,0,0|2,0,1]=4 4596 B12R0.183 CCC(=O)NCCNCC(C)CC 270004a_100132302217_100000243153 [0,1,0,0,0,0|3,0,0]=4 4597 B12R0.183 CCC(=O)NCCNCC(C)CC 34a_100132302217_100000748023 [0,1,0,0,0,0|3,0,0]=4 4598 B12R0.183 CCC(=O)NCCNCC(O)CC 34a_100132302217_100011218378 [0,1,0,0,0,0|3,0,0]=4 4599 B12R0.183 CCC(=O)NCCNC[C@@H](C)CC 34a_100132302217_100009816398 [0,1,0,0,0,0|3,0,0]=4 4600 B12R0.183 CCC(=O)NCCOCC(=O)OC 34a_200000158885_100000747449 [0,1,0,0,0,0|2,0,1]=4 4601 B12R0.183 CCC(=O)NCCOCC(=O)OC 7a_200000158885_100000747449 [0,1,0,0,0,0|2,0,1]=4 4602 B12R0.183 CCC(=O)NCCOCC(C)CC 34a_200000158885_100000748023 [0,1,0,0,0,0|3,0,0]=4 4603 B12R0.183 CCC(=O)NCCOCC(C)CC 7a_200000158885_100000748023 [0,1,0,0,0,0|3,0,0]=4 4604 B12R0.183 CCC(=O)NCCOCC(O)CC 34a_200000158885_100011218378 [0,1,0,0,0,0|3,0,0]=4 4605 B12R0.183 CCC(=O)NCCOCC(O)CC 7a_200000158885_100011218378 [0,1,0,0,0,0|3,0,0]=4 4606 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 34a_200000158885_100009816398 [0,1,0,0,0,0|3,0,0]=4 4607 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 7a_200000158885_100009816398 [0,1,0,0,0,0|3,0,0]=4 4608 B12R0.183 CCC(=O)OCCOCC(=O)OC 7a_200000031056_100000747449 [0,1,0,0,0,0|2,0,1]=4 4609 B12R0.183 CCC(=O)OCCOCC(C)CC 7a_200000031056_100000748023 [0,1,0,0,0,0|3,0,0]=4 4610 B12R0.183 CCC(=O)OCCOCC(O)CC 7a_200000031056_100011218378 [0,1,0,0,0,0|3,0,0]=4 4611 B12R0.183 CCC(=O)OCCOC[C@@H](C)CC 7a_200000031056_100009816398 [0,1,0,0,0,0|3,0,0]=4 4612 B12R0.183 CCC(C)CCCOCC(=O)NC 7a_100011216074_100000183359 [0,1,0,0,0,0|2,0,0]=3 4613 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [0,1,0,0,0,0|1,0,0]=2 4614 B12R0.183 CCC(C)CCNCCC(=O)NC 2230a_100020591266_100000737683 [0,1,0,0,0,0|2,0,0]=3 4615 B12R0.183 CCC(C)CCNCCC(=O)OC 2230a_100020591266_100000204255 [0,1,0,0,0,0|1,0,0]=2 4616 B12R0.183 CCC(C)CCOCCC(=O)NC 7a_100011215188_100000737683 [0,1,0,0,0,0|2,0,0]=3 4617 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [0,1,0,0,0,0|1,0,0]=2 4618 B12R0.183 CCC(C)CNC/C=C/C(=O)OC 2230a_100020588543_100000742655 [0,1,0,0,0,0|1,0,2]=4 4619 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100000740002_100000748023 [0,1,0,0,0,0|2,0,0]=3 4620 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100020588543_100000741757 [0,1,0,0,0,0|2,0,0]=3 4621 B12R0.183 CCC(C)CNCCCC(=O)NC 270004a_100000740002_100000243153 [0,1,0,0,0,0|2,0,0]=3 4622 B12R0.183 CCC(C)CNCCCC(=O)NC 34a_100000740002_100000748023 [0,1,0,0,0,0|2,0,0]=3 4623 B12R0.183 CCC(C)CNCCCC(=O)OC 2230a_100020588543_100011218270 [0,1,0,0,0,0|1,0,0]=2 4624 B12R0.183 CCC(C)CNCCNC(=O)NC 34a_100015205895_100000748023 [0,1,0,0,0,0|3,0,0]=4 4625 B12R0.183 CCC(C)COCCCC(=O)NN 34a_100000211488_100000748023 [0,1,0,0,0,0|3,0,0]=4 4626 B12R0.183 CCC(C)COCCNC(=O)OC 34a_100000757965_100000748023 [0,1,0,0,0,0|2,0,0]=3 4627 B12R0.183 CCC(C)COCCOC(=O)OC 34a_100010262106_100000748023 [0,1,0,0,0,0|2,0,0]=3 4628 B12R0.183 CCC(C)CSC/C=C/C(=O)OC 62a_100000742655_100000748023 [0,1,0,0,0,0|1,0,2]=4 4629 B12R0.183 CCC(C)CSC/C=C/C(=O)OC 62a_100000748023_100000742655 [0,1,0,0,0,0|1,0,2]=4 4630 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000741757_100000748023 [0,1,0,0,0,0|2,0,0]=3 4631 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000748023_100000741757 [0,1,0,0,0,0|2,0,0]=3 4632 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100000748023_100011218270 [0,1,0,0,0,0|1,0,0]=2 4633 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100011218270_100000748023 [0,1,0,0,0,0|1,0,0]=2 4634 B12R0.183 CCC(C)CSCCOC(=O)NC 62a_100000748023_200011997002 [0,1,0,0,0,0|3,0,0]=4 4635 B12R0.183 CCC(C)CSCCOC(=O)NC 62a_200011997002_100000748023 [0,1,0,0,0,0|3,0,0]=4 4636 B12R0.183 CCC(C)NCCCCC(=O)OC 2230a_100000209981_100000204269 [0,1,0,0,0,0|1,0,0]=2 4637 B12R0.183 CCC(C)NCCOCC(=O)OC 2230a_100000209981_100000090808 [0,1,0,0,0,0|2,0,0]=3 4638 B12R0.183 CCC(C)NN=CCCC(=O)OC 4a_100000718999_100012047195 [0,1,0,0,0,0|2,0,1]=4 4639 B12R0.183 CCC(C)OCCCCC(=O)OC 34a_100000059025_100011215416 [0,1,0,0,0,0|1,0,0]=2 4640 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000059025_100000758301 [0,1,0,0,0,0|1,0,0]=2 4641 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000210228_100000204269 [0,1,0,0,0,0|1,0,0]=2 4642 B12R0.183 CCC(C)OCCOCC(=O)OC 7a_100000210228_100000090808 [0,1,0,0,0,0|2,0,0]=3 4643 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000204269_100000758301 [0,1,0,0,0,0|1,0,0]=2 4644 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000758301_100000204269 [0,1,0,0,0,0|1,0,0]=2 4645 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000090808_100000758301 [0,1,0,0,0,0|2,0,0]=3 4646 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000758301_100000090808 [0,1,0,0,0,0|2,0,0]=3 4647 B12R0.183 CCC(O)CNC/C=C/C(=O)OC 2230a_100011218483_100000742655 [0,1,0,0,0,0|1,0,2]=4 4648 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100000740002_100011218378 [0,1,0,0,0,0|2,0,0]=3 4649 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100011218483_100000741757 [0,1,0,0,0,0|2,0,0]=3 4650 B12R0.183 CCC(O)CNCCCC(=O)NC 34a_100000740002_100011218378 [0,1,0,0,0,0|2,0,0]=3 4651 B12R0.183 CCC(O)CNCCCC(=O)OC 2230a_100011218483_100011218270 [0,1,0,0,0,0|1,0,0]=2 4652 B12R0.183 CCC(O)CNCCNC(=O)NC 34a_100015205895_100011218378 [0,1,0,0,0,0|3,0,0]=4 4653 B12R0.183 CCC(O)CNN=CCC(=O)OC 4a_100015206393_200011552997 [0,1,0,0,0,0|2,0,1]=4 4654 B12R0.183 CCC(O)COCCCC(=O)NN 34a_100000211488_100011218378 [0,1,0,0,0,0|3,0,0]=4 4655 B12R0.183 CCC(O)COCCNC(=O)OC 34a_100000757965_100011218378 [0,1,0,0,0,0|2,0,0]=3 4656 B12R0.183 CCC(O)COCCOC(=O)OC 34a_100010262106_100011218378 [0,1,0,0,0,0|2,0,0]=3 4657 B12R0.183 CCC(O)CSC/C=C/C(=O)OC 62a_100000742655_100011218378 [0,1,0,0,0,0|1,0,2]=4 4658 B12R0.183 CCC(O)CSC/C=C/C(=O)OC 62a_100011218378_100000742655 [0,1,0,0,0,0|1,0,2]=4 4659 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100000741757_100011218378 [0,1,0,0,0,0|2,0,0]=3 4660 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100011218378_100000741757 [0,1,0,0,0,0|2,0,0]=3 4661 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218270_100011218378 [0,1,0,0,0,0|1,0,0]=2 4662 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218378_100011218270 [0,1,0,0,0,0|1,0,0]=2 4663 B12R0.183 CCC(O)CSCCOC(=O)NC 62a_100011218378_200011997002 [0,1,0,0,0,0|3,0,0]=4 4664 B12R0.183 CCC(O)CSCCOC(=O)NC 62a_200011997002_100011218378 [0,1,0,0,0,0|3,0,0]=4 4665 B12R0.183 CCN(C)CCCCCC(=O)OC 2230a_100000225621_100009816466 [0,1,0,0,0,0|1,0,0]=2 4666 B12R0.183 CCN(C)CCCCCC(=O)OC 269982a_100000225621_100009816466 [0,1,0,0,0,0|1,0,0]=2 4667 B12R0.183 CCN(C)CCCNCC(=O)NC 2230a_100000693194_100015186262 [0,1,0,0,0,0|3,0,0]=4 4668 B12R0.183 CCN(C)CCCSCC(=O)NC 62a_100000183359_100015186262 [0,1,0,0,0,0|3,0,0]=4 4669 B12R0.183 CCN(C)CCCSCC(=O)OC 62a_100000747449_100015186262 [0,1,0,0,0,0|2,0,0]=3 4670 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 2230a_100000740002_100009816398 [0,1,0,0,0,0|2,0,0]=3 4671 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 34a_100000740002_100009816398 [0,1,0,0,0,0|2,0,0]=3 4672 B12R0.183 CC[C@H](C)CNCCNC(=O)NC 34a_100015205895_100009816398 [0,1,0,0,0,0|3,0,0]=4 4673 B12R0.183 CC[C@H](C)COC/C=C/C(=O)OC 7a_100009816381_100000742655 [0,1,0,0,0,0|1,0,2]=4 4674 B12R0.183 CC[C@H](C)COCCCC(=O)NC 7a_100009816381_100000741757 [0,1,0,0,0,0|2,0,0]=3 4675 B12R0.183 CC[C@H](C)COCCCC(=O)NN 34a_100000211488_100009816398 [0,1,0,0,0,0|3,0,0]=4 4676 B12R0.183 CC[C@H](C)COCCCC(=O)OC 7a_100009816381_100011218270 [0,1,0,0,0,0|1,0,0]=2 4677 B12R0.183 CC[C@H](C)COCCNC(=O)OC 34a_100000757965_100009816398 [0,1,0,0,0,0|2,0,0]=3 4678 B12R0.183 CC[C@H](C)COCCOC(=O)NC 7a_100009816381_200011997002 [0,1,0,0,0,0|3,0,0]=4 4679 B12R0.183 CC[C@H](C)COCCOC(=O)OC 34a_100010262106_100009816398 [0,1,0,0,0,0|2,0,0]=3 4680 B12R0.183 CC[C@H](C)CSC/C=C/C(=O)OC 62a_100000742655_100009816398 [0,1,0,0,0,0|1,0,2]=4 4681 B12R0.183 CC[C@H](C)CSC/C=C/C(=O)OC 62a_100009816398_100000742655 [0,1,0,0,0,0|1,0,2]=4 4682 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100000741757_100009816398 [0,1,0,0,0,0|2,0,0]=3 4683 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100009816398_100000741757 [0,1,0,0,0,0|2,0,0]=3 4684 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100009816398_100011218270 [0,1,0,0,0,0|1,0,0]=2 4685 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100011218270_100009816398 [0,1,0,0,0,0|1,0,0]=2 4686 B12R0.183 CC[C@H](C)CSCCOC(=O)NC 62a_100009816398_200011997002 [0,1,0,0,0,0|3,0,0]=4 4687 B12R0.183 CC[C@H](C)CSCCOC(=O)NC 62a_200011997002_100009816398 [0,1,0,0,0,0|3,0,0]=4 4688 B12R0.183 CNC(=O)CCCCCC(=O)OC 11a_106832991635_100009848860 [0,1,0,0,0,0|1,0,1]=3 4689 B12R0.183 CNC(=O)CCCCCC(=O)OC 1626a_100102657272_100009848860 [0,1,0,0,0,0|1,0,1]=3 4690 B12R0.183 CNC(=O)CCCCCC(=O)OC 240690a_100102657272_100009848860 [0,1,0,0,0,0|1,0,1]=3 4691 B12R0.183 CNC(=O)CCCNCC(=O)OC 2230a_100000740002_100000747449 [0,1,0,0,0,0|2,0,1]=4 4692 B12R0.183 CNC(=O)CCCNCC(=O)OC 34a_100000740002_100000747449 [0,1,0,0,0,0|2,0,1]=4 4693 B12R0.183 CNC(=O)CCCNCC(C)CO 34a_100000744482_100000741757 [0,1,0,0,0,0|3,0,0]=4 4694 B12R0.183 CNC(=O)CCCNCC(O)CO 2230a_100000740002_100011219619 [0,1,0,0,0,0|3,0,0]=4 4695 B12R0.183 CNC(=O)CCCNCC(O)CO 34a_100000740002_100011219619 [0,1,0,0,0,0|3,0,0]=4 4696 B12R0.183 CNC(=O)CCCNC[C@@H](C)CO 2230a_100000740002_100000059175 [0,1,0,0,0,0|3,0,0]=4 4697 B12R0.183 CNC(=O)CCCNC[C@@H](C)CO 34a_100000740002_100000059175 [0,1,0,0,0,0|3,0,0]=4 4698 B12R0.183 CNC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100000741757 [0,1,0,0,0,0|3,0,0]=4 4699 B12R0.183 CNC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000741757 [0,1,0,0,0,0|3,0,0]=4 4700 B12R0.183 CNC(=O)CCCNC[C@@H](O)CF 2230a_100000740002_100015614560 [0,1,0,0,0,0|3,0,0]=4 4701 B12R0.183 CNC(=O)CCCNC[C@@H](O)CF 34a_100000740002_100015614560 [0,1,0,0,0,0|3,0,0]=4 4702 B12R0.183 CNC(=O)CCCNC[C@@H](O)CO 2230a_100000740002_100009815848 [0,1,0,0,0,0|3,0,0]=4 4703 B12R0.183 CNC(=O)CCCNC[C@@H](O)CO 34a_100000740002_100009815848 [0,1,0,0,0,0|3,0,0]=4 4704 B12R0.183 CNC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100000741757 [0,1,0,0,0,0|3,0,0]=4 4705 B12R0.183 CNC(=O)CCCOCC(C)CN 34a_100000744482_100000741757 [0,1,0,0,0,0|3,0,0]=4 4706 B12R0.183 CNC(=O)CCCOCC(C)OC 34a_100000690652_100000741757 [0,1,0,0,0,0|3,0,0]=4 4707 B12R0.183 CNC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000741757 [0,1,0,0,0,0|3,0,0]=4 4708 B12R0.183 CNC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000741757 [0,1,0,0,0,0|3,0,0]=4 4709 B12R0.183 CNC(=O)CCCSCC(=O)OC 62a_100000741757_100000747449 [0,1,0,0,0,0|2,0,1]=4 4710 B12R0.183 CNC(=O)CCCSCC(=O)OC 62a_100000747449_100000741757 [0,1,0,0,0,0|2,0,1]=4 4711 B12R0.183 CNC(=O)CCCSCC(O)CO 62a_100000741757_100011219619 [0,1,0,0,0,0|3,0,0]=4 4712 B12R0.183 CNC(=O)CCCSCC(O)CO 62a_100011219619_100000741757 [0,1,0,0,0,0|3,0,0]=4 4713 B12R0.183 CNC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100000741757 [0,1,0,0,0,0|3,0,0]=4 4714 B12R0.183 CNC(=O)CCCSC[C@@H](C)CO 62a_100000741757_100000059175 [0,1,0,0,0,0|3,0,0]=4 4715 B12R0.183 CNC(=O)CCCSC[C@@H](O)CF 62a_100000741757_100015614560 [0,1,0,0,0,0|3,0,0]=4 4716 B12R0.183 CNC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100000741757 [0,1,0,0,0,0|3,0,0]=4 4717 B12R0.183 CNC(=O)CCCSC[C@@H](O)CO 62a_100000741757_100009815848 [0,1,0,0,0,0|3,0,0]=4 4718 B12R0.183 CNC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100000741757 [0,1,0,0,0,0|3,0,0]=4 4719 B12R0.183 CNC(=O)CCNCCC(=O)OC 2230a_100000738227_100000204255 [0,1,0,0,0,0|2,0,1]=4 4720 B12R0.183 CNC(=O)CCNCCC(=O)OC 34a_100000738227_100000742370 [0,1,0,0,0,0|2,0,1]=4 4721 B12R0.183 CNC(=O)CCNCCC(C)CO 2230a_106354213184_100000737683 [0,1,0,0,0,0|3,0,0]=4 4722 B12R0.183 CNC(=O)CCNCCC(C)CO 34a_106354213184_100012179268 [0,1,0,0,0,0|3,0,0]=4 4723 B12R0.183 CNC(=O)CCOCCC(=O)OC 34a_100000754576_100000742370 [0,1,0,0,0,0|2,0,1]=4 4724 B12R0.183 CNC(=O)CCOCCC(C)OC 7a_100000764861_100000737683 [0,1,0,0,0,0|3,0,0]=4 4725 B12R0.183 CNC(=O)CCSCCC(=O)OC 62a_100000204255_100000737683 [0,1,0,0,0,0|2,0,1]=4 4726 B12R0.183 CNC(=O)CCSCCC(=O)OC 62a_100000737683_100000204255 [0,1,0,0,0,0|2,0,1]=4 4727 B12R0.183 CNC(=O)CNCCCC(=O)OC 2230a_100000693194_100011218270 [0,1,0,0,0,0|2,0,1]=4 4728 B12R0.183 CNC(=O)COCCCC(=O)OC 34a_100000750040_100000742333 [0,1,0,0,0,0|2,0,1]=4 4729 B12R0.183 CNC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000183359 [0,1,0,0,0,0|3,0,0]=4 4730 B12R0.183 CNC(=O)CSCCCC(=O)OC 62a_100000183359_100011218270 [0,1,0,0,0,0|2,0,1]=4 4731 B12R0.183 CNC(=O)CSCCCC(=O)OC 62a_100011218270_100000183359 [0,1,0,0,0,0|2,0,1]=4 4732 B12R0.183 COC(=O)CCCCCC(=O)CF 1458a_100009848860_100015361967 [0,1,0,0,0,0|1,0,1]=3 4733 B12R0.183 COC(=O)CCCCCC(=O)CO 1458a_100000210174_100009816466 [0,1,0,0,0,0|1,0,1]=3 4734 B12R0.183 COC(=O)CCCCNC(=O)CO 188690a_100000746077_100000210174 [0,1,0,0,0,0|2,0,1]=4 4735 B12R0.183 COC(=O)CCCCNC(C)C#N 2230a_100000737613_100000204269 [0,1,0,0,0,0|2,0,1]=4 4736 B12R0.183 COC(=O)CCCCN[C@H](C)CO 2230a_100000737577_100000204269 [0,1,0,0,0,0|2,0,0]=3 4737 B12R0.183 COC(=O)CCCCOC(C)C#N 34a_100011218135_100000204269 [0,1,0,0,0,0|2,0,1]=4 4738 B12R0.183 COC(=O)CCCCOC(C)C#N 7a_100000059025_100000703298 [0,1,0,0,0,0|2,0,1]=4 4739 B12R0.183 COC(=O)CCCCOC(C)CF 34a_100016041109_100000204269 [0,1,0,0,0,0|2,0,0]=3 4740 B12R0.183 COC(=O)CCCCOC(C)CF 7a_100016041109_100000204269 [0,1,0,0,0,0|2,0,0]=3 4741 B12R0.183 COC(=O)CCCCOC(C)CN 34a_100000210904_100000204269 [0,1,0,0,0,0|2,0,0]=3 4742 B12R0.183 COC(=O)CCCCOC(C)CO 34a_100000059025_100012180447 [0,1,0,0,0,0|2,0,0]=3 4743 B12R0.183 COC(=O)CCCCOC(C)CO 7a_100000059025_100012180447 [0,1,0,0,0,0|2,0,0]=3 4744 B12R0.183 COC(=O)CCCCSC(C)C#N 62a_100000204269_100000703298 [0,1,0,0,0,0|2,0,1]=4 4745 B12R0.183 COC(=O)CCCCSC(C)C#N 62a_100000703298_100000204269 [0,1,0,0,0,0|2,0,1]=4 4746 B12R0.183 COC(=O)CCCCSC(C)CO 62a_100012180447_100000204269 [0,1,0,0,0,0|2,0,0]=3 4747 B12R0.183 COC(=O)CCCCSC(C)OC 62a_100000204269_100009879195 [0,1,0,0,0,0|2,0,0]=3 4748 B12R0.183 COC(=O)CCCCSC(C)OC 62a_100009879195_100000204269 [0,1,0,0,0,0|2,0,0]=3 4749 B12R0.183 COC(=O)CCCCSC(F)C#N 62a_100000204269_200000117898 [0,1,0,0,0,0|2,0,1]=4 4750 B12R0.183 COC(=O)CCCCSC(F)C#N 62a_200000117898_100000204269 [0,1,0,0,0,0|2,0,1]=4 4751 B12R0.183 COC(=O)CCCCS[C@H](C)CO 62a_100000204269_100016084084 [0,1,0,0,0,0|2,0,0]=3 4752 B12R0.183 COC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000204269 [0,1,0,0,0,0|2,0,0]=3 4753 B12R0.183 COC(=O)CCCNCC(C)CO 34a_100000744482_100000742333 [0,1,0,0,0,0|2,0,0]=3 4754 B12R0.183 COC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100011218270 [0,1,0,0,0,0|2,0,0]=3 4755 B12R0.183 COC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000742333 [0,1,0,0,0,0|2,0,0]=3 4756 B12R0.183 COC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100011218270 [0,1,0,0,0,0|2,0,0]=3 4757 B12R0.183 COC(=O)CCCOCC(C)CN 34a_100000744482_100000742333 [0,1,0,0,0,0|2,0,0]=3 4758 B12R0.183 COC(=O)CCCOCC(C)OC 34a_100000690652_100000742333 [0,1,0,0,0,0|2,0,0]=3 4759 B12R0.183 COC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000742333 [0,1,0,0,0,0|2,0,0]=3 4760 B12R0.183 COC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000742333 [0,1,0,0,0,0|2,0,0]=3 4761 B12R0.183 COC(=O)CCCSCC(=O)OC 62a_100000747449_100011218270 [0,1,0,0,0,0|2,0,1]=4 4762 B12R0.183 COC(=O)CCCSCC(=O)OC 62a_100011218270_100000747449 [0,1,0,0,0,0|2,0,1]=4 4763 B12R0.183 COC(=O)CCCSCC(O)CO 62a_100011218270_100011219619 [0,1,0,0,0,0|2,0,0]=3 4764 B12R0.183 COC(=O)CCCSCC(O)CO 62a_100011219619_100011218270 [0,1,0,0,0,0|2,0,0]=3 4765 B12R0.183 COC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011218270 [0,1,0,0,0,0|2,0,0]=3 4766 B12R0.183 COC(=O)CCCSC[C@@H](C)CO 62a_100011218270_100000059175 [0,1,0,0,0,0|2,0,0]=3 4767 B12R0.183 COC(=O)CCCSC[C@@H](O)CF 62a_100011218270_100015614560 [0,1,0,0,0,0|2,0,0]=3 4768 B12R0.183 COC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011218270 [0,1,0,0,0,0|2,0,0]=3 4769 B12R0.183 COC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011218270 [0,1,0,0,0,0|2,0,0]=3 4770 B12R0.183 COC(=O)CCCSC[C@@H](O)CO 62a_100011218270_100009815848 [0,1,0,0,0,0|2,0,0]=3 4771 B12R0.183 COC(=O)CCNCCC(C)CO 2230a_106354213184_100000204255 [0,1,0,0,0,0|2,0,0]=3 4772 B12R0.183 COC(=O)CCNCCC(C)CO 34a_106354213184_100000742370 [0,1,0,0,0,0|2,0,0]=3 4773 B12R0.183 COC(=O)CCOCCC(C)OC 7a_100000764861_100000204255 [0,1,0,0,0,0|2,0,0]=3 4774 B12R0.183 COC(=O)CCSCCC(=O)OC 62a_100000204255_100000204255 [0,1,0,0,0,0|2,0,1]=4 4775 B12R0.183 COC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000747449 [0,1,0,0,0,0|2,0,0]=3 4776 B12R0.183 COC(=O)COCCN[C@H](C)CO 2230a_100000737577_100000090808 [0,1,0,0,0,0|3,0,0]=4 4777 B12R0.183 COC(=O)COCCOC(C)CF 34a_100016041109_100000090808 [0,1,0,0,0,0|3,0,0]=4 4778 B12R0.183 COC(=O)COCCOC(C)CF 7a_100016041109_100000090808 [0,1,0,0,0,0|3,0,0]=4 4779 B12R0.183 COC(=O)COCCOC(C)CN 34a_100000210904_100000090808 [0,1,0,0,0,0|3,0,0]=4 4780 B12R0.183 COC(=O)COCCSC(C)CO 62a_100012180447_100000090808 [0,1,0,0,0,0|3,0,0]=4 4781 B12R0.183 COC(=O)COCCSC(C)OC 62a_100000090808_100009879195 [0,1,0,0,0,0|3,0,0]=4 4782 B12R0.183 COC(=O)COCCSC(C)OC 62a_100009879195_100000090808 [0,1,0,0,0,0|3,0,0]=4 4783 B12R0.183 COC(=O)COCCS[C@H](C)CO 62a_100000090808_100016084084 [0,1,0,0,0,0|3,0,0]=4 4784 B12R0.183 COC(=O)COCCS[C@H](C)CO 62a_100016084084_100000090808 [0,1,0,0,0,0|3,0,0]=4 4785 B12R0.183 COC(=O)NCCOCC(O)CO 34a_100000757965_100011219619 [0,1,0,0,0,0|3,0,0]=4 4786 B12R0.183 COC(=O)NCCOC[C@@H](C)CO 34a_100000757965_100000059175 [0,1,0,0,0,0|3,0,0]=4 4787 B12R0.183 COC(=O)NCCOC[C@@H](O)CF 34a_100000757965_100015614560 [0,1,0,0,0,0|3,0,0]=4 4788 B12R0.183 COC(=O)NCCOC[C@@H](O)CO 34a_100000757965_100009815848 [0,1,0,0,0,0|3,0,0]=4 4789 B12R0.183 COC(=O)OCCOCC(O)CO 34a_100010262106_100011219619 [0,1,0,0,0,0|3,0,0]=4 4790 B12R0.183 COC(=O)OCCOC[C@@H](C)CO 34a_100010262106_100000059175 [0,1,0,0,0,0|3,0,0]=4 4791 B12R0.183 COC(=O)OCCOC[C@@H](O)CF 34a_100010262106_100015614560 [0,1,0,0,0,0|3,0,0]=4 4792 B12R0.183 COC(=O)OCCOC[C@@H](O)CO 34a_100010262106_100009815848 [0,1,0,0,0,0|3,0,0]=4 4793 B12R0.184 C=C(Br)CCOCCCC(=O)OC 34a_100009813270_100000742333 [0,1,0,0,0,0|1,0,2]=4 4794 B12R0.184 C=C(C)CCNCCCC(=O)NC 2230a_100000740002_100000730704 [0,1,0,0,0,0|2,0,1]=4 4795 B12R0.184 C=C(C)CCNCCCC(=O)NC 34a_100000740002_100000730704 [0,1,0,0,0,0|2,0,1]=4 4796 B12R0.184 C=C(C)CCOCCCC(=O)NC 34a_100000764851_100000741757 [0,1,0,0,0,0|2,0,1]=4 4797 B12R0.184 C=C(C)CCOCCCC(=O)OC 34a_100000764851_100000742333 [0,1,0,0,0,0|1,0,1]=3 4798 B12R0.184 C=C(C)CCOCCNC(=O)OC 34a_100000757965_100000730704 [0,1,0,0,0,0|2,0,1]=4 4799 B12R0.184 C=C(C)CCOCCOC(=O)OC 34a_100010262106_100000730704 [0,1,0,0,0,0|2,0,1]=4 4800 B12R0.184 C=C(C)CCSCCCC(=O)NC 62a_100000730704_100000741757 [0,1,0,0,0,0|2,0,1]=4 4801 B12R0.184 C=C(C)CCSCCCC(=O)NC 62a_100000741757_100000730704 [0,1,0,0,0,0|2,0,1]=4 4802 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100000730704_100011218270 [0,1,0,0,0,0|1,0,1]=3 4803 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100011218270_100000730704 [0,1,0,0,0,0|1,0,1]=3 4804 B12R0.184 C=C(C)COCCCCC(=O)OC 34a_100000059025_100000748629 [0,1,0,0,0,0|1,0,1]=3 4805 B12R0.184 C=C(C)COCCCCC(=O)OC 34a_100000210245_100000204269 [0,1,0,0,0,0|1,0,1]=3 4806 B12R0.184 C=C(C)COCCCCC(=O)OC 7a_100000059025_100000748629 [0,1,0,0,0,0|1,0,1]=3 4807 B12R0.184 C=C(C)COCCOCC(=O)OC 34a_100000210245_100000090808 [0,1,0,0,0,0|2,0,1]=4 4808 B12R0.184 C=C(C)CSCCCCC(=O)OC 62a_100000204269_100000211660 [0,1,0,0,0,0|1,0,1]=3 4809 B12R0.184 C=C(C)CSCCCCC(=O)OC 62a_100000748629_100000204269 [0,1,0,0,0,0|1,0,1]=3 4810 B12R0.184 C=C(C)CSCCOCC(=O)OC 62a_100000090808_100000211660 [0,1,0,0,0,0|2,0,1]=4 4811 B12R0.184 C=C(C)CSCCOCC(=O)OC 62a_100000748629_100000090808 [0,1,0,0,0,0|2,0,1]=4 4812 B12R0.184 C=C(F)COCCCCC(=O)OC 34a_100000059025_100009893438 [0,1,0,0,0,0|1,0,2]=4 4813 B12R0.184 C=C(F)COCCCCC(=O)OC 34a_200010262243_100000204269 [0,1,0,0,0,0|1,0,2]=4 4814 B12R0.184 C=C(F)COCCCCC(=O)OC 7a_100000059025_100000042424 [0,1,0,0,0,0|1,0,2]=4 4815 B12R0.184 C=C(F)CSCCCCC(=O)OC 62a_100000042424_100000204269 [0,1,0,0,0,0|1,0,2]=4 4816 B12R0.184 C=C(F)CSCCCCC(=O)OC 62a_100000204269_100000042424 [0,1,0,0,0,0|1,0,2]=4 4817 B12R0.184 C=CC(=O)NCCCCCC(C)C 1626a_100011290863_100000185746 [0,1,0,0,0,0|2,0,1]=4 4818 B12R0.184 C=CC(=O)NCCCCCC(C)C 240690a_100011290863_200121576911 [0,1,0,0,0,0|2,0,1]=4 4819 B12R0.184 CC(C)CCCCCCC(=O)CF 1458a_100000040743_100015361967 [0,1,0,0,0,0|2,0,0]=3 4820 B12R0.184 CC(C)CCCCCNC(=O)CO 240690a_100011290863_100000210174 [0,1,0,0,0,0|3,0,0]=4 4821 B12R0.184 CC(C)CCCCCNC(=O)CO 527a_100011290863_100000210174 [0,1,0,0,0,0|3,0,0]=4 4822 B12R0.184 CC(C)CCOCCCC(=O)NN 34a_100000211488_100000210312 [0,1,0,0,0,0|3,0,0]=4 4823 B12R0.184 CC(O)CCOCCCC(=O)NN 34a_100000211488_100012276601 [0,1,0,0,0,0|3,0,0]=4 4824 B12R0.184 CCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000210202 [0,1,0,0,0,0|1,0,2]=4 4825 B12R0.184 CCC(=O)CCCCCCB(O)O 1458a_100000210414_100009817187 [0,1,0,0,0,0|3,0,0]=4 4826 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [0,1,0,0,0,0|1,0,0]=2 4827 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [0,1,0,0,0,0|2,0,1]=4 4828 B12R0.184 CCC(=O)CCCCCOC(=O)C 1458a_100000210414_100000033007 [0,1,0,0,0,0|2,0,1]=4 4829 B12R0.184 CCC(=O)COCCCCC(=O)C 34a_100000725409_100009817362 [0,1,0,0,0,0|2,0,1]=4 4830 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [0,1,0,0,0,0|2,0,0]=3 4831 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [0,1,0,0,0,0|2,0,0]=3 4832 B12R0.184 CCC(=O)COCCOCC(C)C 7a_100000703358_100000747405 [0,1,0,0,0,0|3,0,0]=4 4833 B12R0.184 CCC(=O)COCCSCC(C)C 7a_200000230437_100000747405 [0,1,0,0,0,0|3,0,0]=4 4834 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747405 [0,1,0,0,0,0|2,0,1]=4 4835 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000747405_100000735457 [0,1,0,0,0,0|2,0,1]=4 4836 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100000747405_100011216152 [0,1,0,0,0,0|2,0,0]=3 4837 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100011216152_100000747405 [0,1,0,0,0,0|2,0,0]=3 4838 B12R0.184 CCC(=O)CSCCCCN(C)C 62a_100000747405_100000690147 [0,1,0,0,0,0|3,0,0]=4 4839 B12R0.184 CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210414 [0,1,0,0,0,0|2,0,0]=3 4840 B12R0.184 CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210414 [0,1,0,0,0,0|2,0,0]=3 4841 B12R0.184 CCC(=O)NCCCCCC(C)C 527a_100011290863_100000210414 [0,1,0,0,0,0|2,0,0]=3 4842 B12R0.184 CCC(=O)NCCCCCN(C)C 240690a_100020635752_100000210414 [0,1,0,0,0,0|3,0,0]=4 4843 B12R0.184 CCC(=O)NCCCOCC(C)C 11a_100000205972_100000210414 [0,1,0,0,0,0|3,0,0]=4 4844 B12R0.184 CCC(=O)NCCCOCC(C)C 1626a_100000205972_100000210414 [0,1,0,0,0,0|3,0,0]=4 4845 B12R0.184 CCC(=O)NCCCOCC(C)C 240690a_100000205972_100000210414 [0,1,0,0,0,0|3,0,0]=4 4846 B12R0.184 CCC(=O)NCCCOCC(C)C 527a_100000205972_100000210414 [0,1,0,0,0,0|3,0,0]=4 4847 B12R0.184 CCC(=O)NCCNCCC(C)C 269862a_100132302217_100000185833 [0,1,0,0,0,0|3,0,0]=4 4848 B12R0.184 CCC(=O)NCCNCCC(C)C 34a_100132302217_100000210312 [0,1,0,0,0,0|3,0,0]=4 4849 B12R0.184 CCC(=O)NCCNCCC(C)O 34a_100132302217_100012276601 [0,1,0,0,0,0|3,0,0]=4 4850 B12R0.184 CCC(=O)NCCOCCC(C)C 34a_200000158885_100000210312 [0,1,0,0,0,0|3,0,0]=4 4851 B12R0.184 CCC(=O)NCCOCCC(C)C 7a_200000158885_100000210626 [0,1,0,0,0,0|3,0,0]=4 4852 B12R0.184 CCC(=O)NCCOCCC(C)O 34a_200000158885_100012276601 [0,1,0,0,0,0|3,0,0]=4 4853 B12R0.184 CCC(=O)NCCOCCC(C)O 7a_200000158885_100012276601 [0,1,0,0,0,0|3,0,0]=4 4854 B12R0.184 CCC(=O)OCCOCCC(C)C 7a_200000031056_100000210626 [0,1,0,0,0,0|3,0,0]=4 4855 B12R0.184 CCC(=O)OCCOCCC(C)O 7a_200000031056_100012276601 [0,1,0,0,0,0|3,0,0]=4 4856 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 11a_106832991635_200016995844 [0,1,0,0,0,0|1,0,2]=4 4857 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 1626a_100102657272_200016995844 [0,1,0,0,0,0|1,0,2]=4 4858 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 240690a_100102657272_200016995844 [0,1,0,0,0,0|1,0,2]=4 4859 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 527a_100102657272_200016995844 [0,1,0,0,0,0|1,0,2]=4 4860 B12R0.184 CNC(=O)CCCCCCC(C)C 11a_106832991635_100000040743 [0,1,0,0,0,0|1,0,0]=2 4861 B12R0.184 CNC(=O)CCCCCCC(C)C 1626a_100102657272_100000040743 [0,1,0,0,0,0|1,0,0]=2 4862 B12R0.184 CNC(=O)CCCCCCC(C)C 240690a_100102657272_100000040743 [0,1,0,0,0,0|1,0,0]=2 4863 B12R0.184 CNC(=O)CCCCCCC(C)C 527a_100102657272_100000040743 [0,1,0,0,0,0|1,0,0]=2 4864 B12R0.184 CNC(=O)CCCCCNC(=O)C 11a_106832991635_100000183861 [0,1,0,0,0,0|2,0,1]=4 4865 B12R0.184 CNC(=O)CCCCCNC(=O)C 1626a_100102657272_100000183861 [0,1,0,0,0,0|2,0,1]=4 4866 B12R0.184 CNC(=O)CCCCCNC(=O)C 240690a_100102657272_100000183861 [0,1,0,0,0,0|2,0,1]=4 4867 B12R0.184 CNC(=O)CCCNCCC(C)C 2230a_100000740002_100000210312 [0,1,0,0,0,0|2,0,0]=3 4868 B12R0.184 CNC(=O)CCCNCCC(C)C 269862a_100000740002_100000185833 [0,1,0,0,0,0|2,0,0]=3 4869 B12R0.184 CNC(=O)CCCNCCC(C)C 34a_100000740002_100000210312 [0,1,0,0,0,0|2,0,0]=3 4870 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_100000740002_100012276601 [0,1,0,0,0,0|2,0,0]=3 4871 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_200000755665_100000741757 [0,1,0,0,0,0|2,0,0]=3 4872 B12R0.184 CNC(=O)CCCNCCC(C)O 34a_100000740002_100012276601 [0,1,0,0,0,0|2,0,0]=3 4873 B12R0.184 CNC(=O)CCCNCOC(C)C 2230a_100000740002_100000709892 [0,1,0,0,0,0|3,0,0]=4 4874 B12R0.184 CNC(=O)CCCNCOC(C)C 34a_100000740002_100000709892 [0,1,0,0,0,0|3,0,0]=4 4875 B12R0.184 CNC(=O)CCCOCCC(=O)C 34a_100000759926_100000741757 [0,1,0,0,0,0|2,0,1]=4 4876 B12R0.184 CNC(=O)CCCOCCC(=O)C 7a_100000759926_100000741757 [0,1,0,0,0,0|2,0,1]=4 4877 B12R0.184 CNC(=O)CCCOCCC(C)Br 34a_100009893172_100000741757 [0,1,0,0,0,0|2,0,0]=3 4878 B12R0.184 CNC(=O)CCCOCCC(C)C 34a_100000210254_100000741757 [0,1,0,0,0,0|2,0,0]=3 4879 B12R0.184 CNC(=O)CCCOCCC(C)C 7a_100000210254_100000741757 [0,1,0,0,0,0|2,0,0]=3 4880 B12R0.184 CNC(=O)CCCOCCC(F)F 34a_100103093639_100000741757 [0,1,0,0,0,0|3,0,0]=4 4881 B12R0.184 CNC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000741757 [0,1,0,0,0,0|2,0,0]=3 4882 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000053229_100000741757 [0,1,0,0,0,0|2,0,1]=4 4883 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000741757_100000053229 [0,1,0,0,0,0|2,0,1]=4 4884 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000210312_100000741757 [0,1,0,0,0,0|2,0,0]=3 4885 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000741757_100000210312 [0,1,0,0,0,0|2,0,0]=3 4886 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100000741757_100012276601 [0,1,0,0,0,0|2,0,0]=3 4887 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100012276601_100000741757 [0,1,0,0,0,0|2,0,0]=3 4888 B12R0.184 CNC(=O)CCCSCCN(C)C 62a_100000741757_100000755713 [0,1,0,0,0,0|3,0,0]=4 4889 B12R0.184 CNC(=O)CCCSCOC(C)C 62a_100000709892_100000741757 [0,1,0,0,0,0|3,0,0]=4 4890 B12R0.184 CNC(=O)CCCSCOC(C)C 62a_100000741757_100000709892 [0,1,0,0,0,0|3,0,0]=4 4891 B12R0.184 CNC(=O)CCNCCCC(=O)C 34a_100000738227_100000685027 [0,1,0,0,0,0|2,0,1]=4 4892 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_100000738227_100011214892 [0,1,0,0,0,0|2,0,0]=3 4893 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737683 [0,1,0,0,0,0|2,0,0]=3 4894 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_100000738227_100011214892 [0,1,0,0,0,0|2,0,0]=3 4895 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_200000737386_100012179268 [0,1,0,0,0,0|2,0,0]=3 4896 B12R0.184 CNC(=O)CCNCCCC(C)O 2230a_100000738227_200000718107 [0,1,0,0,0,0|2,0,0]=3 4897 B12R0.184 CNC(=O)CCNCCCC(C)O 34a_100000738227_200000718107 [0,1,0,0,0,0|2,0,0]=3 4898 B12R0.184 CNC(=O)CCNCCCS(=O)C 2230a_200000753449_100000737683 [0,1,0,0,0,0|3,0,0]=4 4899 B12R0.184 CNC(=O)CCNCCOC(C)C 2230a_100000701111_100000737683 [0,1,0,0,0,0|3,0,0]=4 4900 B12R0.184 CNC(=O)CCNCCOC(C)C 2230a_100000738227_100000211751 [0,1,0,0,0,0|3,0,0]=4 4901 B12R0.184 CNC(=O)CCNCCOC(C)C 34a_100000701111_100012179268 [0,1,0,0,0,0|3,0,0]=4 4902 B12R0.184 CNC(=O)CCNCCOC(C)C 34a_100000738227_100000211751 [0,1,0,0,0,0|3,0,0]=4 4903 B12R0.184 CNC(=O)CCNCCSC(C)C 2230a_100000731138_100000737683 [0,1,0,0,0,0|3,0,0]=4 4904 B12R0.184 CNC(=O)CCNCCSC(C)C 2230a_100000738227_100000730970 [0,1,0,0,0,0|3,0,0]=4 4905 B12R0.184 CNC(=O)CCNCCSC(C)C 34a_100000731138_100012179268 [0,1,0,0,0,0|3,0,0]=4 4906 B12R0.184 CNC(=O)CCNCCSC(C)C 34a_100000738227_100000730970 [0,1,0,0,0,0|3,0,0]=4 4907 B12R0.184 CNC(=O)CCOCCCC(=O)C 34a_100000754576_100000685027 [0,1,0,0,0,0|2,0,1]=4 4908 B12R0.184 CNC(=O)CCOCCCC(=O)C 34a_100000759063_100012179268 [0,1,0,0,0,0|2,0,1]=4 4909 B12R0.184 CNC(=O)CCOCCCC(=O)C 7a_100000759063_100000737683 [0,1,0,0,0,0|2,0,1]=4 4910 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000210774_100012179268 [0,1,0,0,0,0|2,0,0]=3 4911 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000754576_100011214892 [0,1,0,0,0,0|2,0,0]=3 4912 B12R0.184 CNC(=O)CCOCCCC(C)C 7a_100000210774_100000737683 [0,1,0,0,0,0|2,0,0]=3 4913 B12R0.184 CNC(=O)CCOCCCC(C)O 34a_100000754576_200000718107 [0,1,0,0,0,0|2,0,0]=3 4914 B12R0.184 CNC(=O)CCOCCNC(C)C 34a_100000224655_100012179268 [0,1,0,0,0,0|3,0,0]=4 4915 B12R0.184 CNC(=O)CCOCCOC(C)C 34a_100000211219_100012179268 [0,1,0,0,0,0|3,0,0]=4 4916 B12R0.184 CNC(=O)CCOCCOC(C)C 34a_100000754576_100000211751 [0,1,0,0,0,0|3,0,0]=4 4917 B12R0.184 CNC(=O)CCOCCOC(C)C 7a_100000211219_100000737683 [0,1,0,0,0,0|3,0,0]=4 4918 B12R0.184 CNC(=O)CCOCCSC(C)C 34a_100000754576_100000730970 [0,1,0,0,0,0|3,0,0]=4 4919 B12R0.184 CNC(=O)CCOCCSC(C)C 34a_200011212901_100012179268 [0,1,0,0,0,0|3,0,0]=4 4920 B12R0.184 CNC(=O)CCOCCSC(C)C 7a_200011212901_100000737683 [0,1,0,0,0,0|3,0,0]=4 4921 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100000737683_100011215641 [0,1,0,0,0,0|2,0,1]=4 4922 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100011215641_100000737683 [0,1,0,0,0,0|2,0,1]=4 4923 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100000737683_100011214892 [0,1,0,0,0,0|2,0,0]=3 4924 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100011214892_100000737683 [0,1,0,0,0,0|2,0,0]=3 4925 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_100000737683_200000718107 [0,1,0,0,0,0|2,0,0]=3 4926 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_200000718107_100000737683 [0,1,0,0,0,0|2,0,0]=3 4927 B12R0.184 CNC(=O)CCSCCCN(C)C 62a_100000737683_100000757444 [0,1,0,0,0,0|3,0,0]=4 4928 B12R0.184 CNC(=O)CCSCCOC(C)C 62a_100000211751_100000737683 [0,1,0,0,0,0|3,0,0]=4 4929 B12R0.184 CNC(=O)CCSCCOC(C)C 62a_100000737683_100000211751 [0,1,0,0,0,0|3,0,0]=4 4930 B12R0.184 CNC(=O)CCSCCSC(C)C 62a_100000730970_100000737683 [0,1,0,0,0,0|3,0,0]=4 4931 B12R0.184 CNC(=O)CCSCCSC(C)C 62a_100000737683_100000730970 [0,1,0,0,0,0|3,0,0]=4 4932 B12R0.184 CNC(=O)CNCCCCC(C)C 2230a_100000693194_100011216152 [0,1,0,0,0,0|2,0,0]=3 4933 B12R0.184 CNC(=O)CNCCCOC(C)C 2230a_100000737246_100000183359 [0,1,0,0,0,0|3,0,0]=4 4934 B12R0.184 CNC(=O)CNCCCOC(C)C 34a_100000737246_100000183359 [0,1,0,0,0,0|3,0,0]=4 4935 B12R0.184 CNC(=O)COCCCCC(=O)C 34a_100000750040_100009817362 [0,1,0,0,0,0|2,0,1]=4 4936 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100000750040_100011216152 [0,1,0,0,0,0|2,0,0]=3 4937 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100011214890_100000183359 [0,1,0,0,0,0|2,0,0]=3 4938 B12R0.184 CNC(=O)COCCCCC(C)C 7a_100011214890_100000183359 [0,1,0,0,0,0|2,0,0]=3 4939 B12R0.184 CNC(=O)COCCCNC(C)C 34a_100000182298_100000183359 [0,1,0,0,0,0|3,0,0]=4 4940 B12R0.184 CNC(=O)COCCNCC(C)C 34a_100015185251_100000183359 [0,1,0,0,0,0|3,0,0]=4 4941 B12R0.184 CNC(=O)COCCOCC(C)C 34a_100000703358_100000183359 [0,1,0,0,0,0|3,0,0]=4 4942 B12R0.184 CNC(=O)COCCOCC(C)C 7a_100000703358_100000183359 [0,1,0,0,0,0|3,0,0]=4 4943 B12R0.184 CNC(=O)COCCSCC(C)C 34a_200000230437_100000183359 [0,1,0,0,0,0|3,0,0]=4 4944 B12R0.184 CNC(=O)COCCSCC(C)C 7a_200000230437_100000183359 [0,1,0,0,0,0|3,0,0]=4 4945 B12R0.184 CNC(=O)CSCCCCC(=O)C 62a_100000183359_100000735457 [0,1,0,0,0,0|2,0,1]=4 4946 B12R0.184 CNC(=O)CSCCCCC(=O)C 62a_100000735457_100000183359 [0,1,0,0,0,0|2,0,1]=4 4947 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100000183359_100011216152 [0,1,0,0,0,0|2,0,0]=3 4948 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100011216152_100000183359 [0,1,0,0,0,0|2,0,0]=3 4949 B12R0.184 CNC(=O)CSCCCCN(C)C 62a_100000183359_100000690147 [0,1,0,0,0,0|3,0,0]=4 4950 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100011290863_106832991635 [0,1,0,0,0,0|2,0,0]=3 4951 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100102657272_100011290863 [0,1,0,0,0,0|2,0,0]=3 4952 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100011290863_100102657272 [0,1,0,0,0,0|2,0,0]=3 4953 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100102657272_100011290863 [0,1,0,0,0,0|2,0,0]=3 4954 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_100011290863_100102657272 [0,1,0,0,0,0|2,0,0]=3 4955 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_106832991638_100011290863 [0,1,0,0,0,0|2,0,0]=3 4956 B12R0.184 CNC(=O)NCCCCCN(C)C 2708a_100020635752_106832991635 [0,1,0,0,0,0|3,0,0]=4 4957 B12R0.184 CNC(=O)NCCCCCN(C)C 2708a_100102657272_100020635752 [0,1,0,0,0,0|3,0,0]=4 4958 B12R0.184 CNC(=O)NCCCCCN(C)C 273464a_100020635752_100102657272 [0,1,0,0,0,0|3,0,0]=4 4959 B12R0.184 CNC(=O)NCCCCCN(C)C 273464a_100102657272_100020635752 [0,1,0,0,0,0|3,0,0]=4 4960 B12R0.184 CNC(=O)NCCCCCN(C)C 512a_100020635752_100102657272 [0,1,0,0,0,0|3,0,0]=4 4961 B12R0.184 CNC(=O)NCCCCCN(C)C 512a_106832991638_100020635752 [0,1,0,0,0,0|3,0,0]=4 4962 B12R0.184 CNC(=O)NCCCOCC(C)C 2708a_100000205972_106832991635 [0,1,0,0,0,0|3,0,0]=4 4963 B12R0.184 CNC(=O)NCCCOCC(C)C 2708a_100102657272_100000205972 [0,1,0,0,0,0|3,0,0]=4 4964 B12R0.184 CNC(=O)NCCCOCC(C)C 273464a_100000205972_100102657272 [0,1,0,0,0,0|3,0,0]=4 4965 B12R0.184 CNC(=O)NCCCOCC(C)C 273464a_100102657272_100000205972 [0,1,0,0,0,0|3,0,0]=4 4966 B12R0.184 CNC(=O)NCCCOCC(C)C 512a_100000205972_100102657272 [0,1,0,0,0,0|3,0,0]=4 4967 B12R0.184 CNC(=O)NCCCOCC(C)C 512a_106832991638_100000205972 [0,1,0,0,0,0|3,0,0]=4 4968 B12R0.184 CNC(=O)NCCNCCC(C)C 269862a_100015205895_100000185833 [0,1,0,0,0,0|3,0,0]=4 4969 B12R0.184 CNC(=O)NCCNCCC(C)C 34a_100015205895_100000210312 [0,1,0,0,0,0|3,0,0]=4 4970 B12R0.184 CNC(=O)NCCNCCC(C)O 34a_100015205895_100012276601 [0,1,0,0,0,0|3,0,0]=4 4971 B12R0.184 CNC(=O)OCCOCCC(C)Br 34a_100009893172_200011997002 [0,1,0,0,0,0|3,0,0]=4 4972 B12R0.184 CNC(=O)OCCOCCC(C)C 34a_100000210254_200011997002 [0,1,0,0,0,0|3,0,0]=4 4973 B12R0.184 CNC(=O)OCCOCCC(C)C 7a_100000210254_200011997002 [0,1,0,0,0,0|3,0,0]=4 4974 B12R0.184 CNC(=O)OCCOCC[C@@H](C)N 34a_100000706166_200011997002 [0,1,0,0,0,0|3,0,0]=4 4975 B12R0.184 CNC(=O)OCCSCCC(C)C 62a_100000210312_200011997002 [0,1,0,0,0,0|3,0,0]=4 4976 B12R0.184 CNC(=O)OCCSCCC(C)C 62a_200011997002_100000210312 [0,1,0,0,0,0|3,0,0]=4 4977 B12R0.184 CNC(=O)OCCSCCC(C)O 62a_100012276601_200011997002 [0,1,0,0,0,0|3,0,0]=4 4978 B12R0.184 CNC(=O)OCCSCCC(C)O 62a_200011997002_100012276601 [0,1,0,0,0,0|3,0,0]=4 4979 B12R0.184 COC(=O)/C=C/CNCCC(C)O 2230a_200000755665_100000742655 [0,1,0,0,0,0|1,0,2]=4 4980 B12R0.184 COC(=O)/C=C/COCCC(C)Br 34a_100009893172_100000742655 [0,1,0,0,0,0|1,0,2]=4 4981 B12R0.184 COC(=O)/C=C/COCCC(C)C 34a_100000210254_100000742655 [0,1,0,0,0,0|1,0,2]=4 4982 B12R0.184 COC(=O)/C=C/COCCC(C)C 7a_100000210254_100000742655 [0,1,0,0,0,0|1,0,2]=4 4983 B12R0.184 COC(=O)/C=C/COCC[C@@H](C)N 34a_100000706166_100000742655 [0,1,0,0,0,0|1,0,2]=4 4984 B12R0.184 COC(=O)/C=C/CSCCC(C)C 62a_100000210312_100000742655 [0,1,0,0,0,0|1,0,2]=4 4985 B12R0.184 COC(=O)/C=C/CSCCC(C)C 62a_100000742655_100000210312 [0,1,0,0,0,0|1,0,2]=4 4986 B12R0.184 COC(=O)/C=C/CSCCC(C)O 62a_100000742655_100012276601 [0,1,0,0,0,0|1,0,2]=4 4987 B12R0.184 COC(=O)/C=C/CSCCC(C)O 62a_100012276601_100000742655 [0,1,0,0,0,0|1,0,2]=4 4988 B12R0.184 COC(=O)CCC=NNCC(C)O 4a_200000730056_100012047195 [0,1,0,0,0,0|2,0,1]=4 4989 B12R0.184 COC(=O)CCCC=NNC(C)C 4a_100000741168_100000094087 [0,1,0,0,0,0|2,0,1]=4 4990 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,1,0,0,0,0|0,0,1]=2 4991 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,1,0,0,0,0|0,0,1]=2 4992 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,1,0,0,0,0|0,0,1]=2 4993 B12R0.184 COC(=O)CCCCCCN(C)C 2230a_100102631434_100009815986 [0,1,0,0,0,0|1,0,0]=2 4994 B12R0.184 COC(=O)CCCCCCN(C)C 269982a_100102631434_100009815986 [0,1,0,0,0,0|1,0,0]=2 4995 B12R0.184 COC(=O)CCCCCNC(=O)C 188690a_100000184999_100015343762 [0,1,0,0,0,0|1,0,1]=3 4996 B12R0.184 COC(=O)CCCCCNC(C)C 2230a_100138425928_100009816466 [0,1,0,0,0,0|1,0,0]=2 4997 B12R0.184 COC(=O)CCCCCNC(C)C 34a_100138425928_100009816466 [0,1,0,0,0,0|1,0,0]=2 4998 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000074720_100000210206 [0,1,0,0,0,0|1,0,0]=2 4999 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000212225_100009816466 [0,1,0,0,0,0|1,0,0]=2 5000 B12R0.184 COC(=O)CCCCCOC(C)C 7a_100000074720_100000210206 [0,1,0,0,0,0|1,0,0]=2 5001 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100000210206_100009816466 [0,1,0,0,0,0|1,0,0]=2 5002 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100009816466_100000210206 [0,1,0,0,0,0|1,0,0]=2 5003 B12R0.184 COC(=O)CCCCNCC(=O)N 2230a_100000711301_100000204269 [0,1,0,0,0,0|2,0,1]=4 5004 B12R0.184 COC(=O)CCCCNCC(=O)O 269956a_100016091260_100000204269 [0,1,0,0,0,0|2,0,1]=4 5005 B12R0.184 COC(=O)CCCCNCC(C)C 2230a_100000210953_100000204269 [0,1,0,0,0,0|1,0,0]=2 5006 B12R0.184 COC(=O)CCCCNCC(C)C 34a_100000210953_100000204269 [0,1,0,0,0,0|1,0,0]=2 5007 B12R0.184 COC(=O)CCCCNCC(C)O 2230a_100000210904_100000204269 [0,1,0,0,0,0|1,0,0]=2 5008 B12R0.184 COC(=O)CCCCNCC(C)O 34a_100000210904_100000204269 [0,1,0,0,0,0|1,0,0]=2 5009 B12R0.184 COC(=O)CCCCNCC(F)F 34a_100000765723_100000204269 [0,1,0,0,0,0|2,0,0]=3 5010 B12R0.184 COC(=O)CCCCOCC(=O)C 34a_100000211253_100000204269 [0,1,0,0,0,0|1,0,1]=3 5011 B12R0.184 COC(=O)CCCCOCC(=O)N 34a_100000059025_100000187820 [0,1,0,0,0,0|2,0,1]=4 5012 B12R0.184 COC(=O)CCCCOCC(=O)N 7a_100000059025_100000187820 [0,1,0,0,0,0|2,0,1]=4 5013 B12R0.184 COC(=O)CCCCOCC(=O)[O-] 34a_100000059025_100020667443 [0,1,0,0,0,0|2,0,1]=4 5014 B12R0.184 COC(=O)CCCCOCC(C)Br 34a_100012180447_100000204269 [0,1,0,0,0,0|1,0,0]=2 5015 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000059025_100000210624 [0,1,0,0,0,0|1,0,0]=2 5016 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000210257_100000204269 [0,1,0,0,0,0|1,0,0]=2 5017 B12R0.184 COC(=O)CCCCOCC(C)C 7a_100000059025_100000210760 [0,1,0,0,0,0|1,0,0]=2 5018 B12R0.184 COC(=O)CCCCOCC(C)F 34a_100015925927_100000204269 [0,1,0,0,0,0|1,0,0]=2 5019 B12R0.184 COC(=O)CCCCOCC(C)O 34a_100000059025_100011218427 [0,1,0,0,0,0|1,0,0]=2 5020 B12R0.184 COC(=O)CCCCOCC(C)O 7a_100000059025_100011218427 [0,1,0,0,0,0|1,0,0]=2 5021 B12R0.184 COC(=O)CCCCOCC(F)F 34a_100000059025_100011934356 [0,1,0,0,0,0|2,0,0]=3 5022 B12R0.184 COC(=O)CCCCOCC(F)F 34a_100000743014_100000204269 [0,1,0,0,0,0|2,0,0]=3 5023 B12R0.184 COC(=O)CCCCOCC(F)F 7a_100000059025_100011934356 [0,1,0,0,0,0|2,0,0]=3 5024 B12R0.184 COC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000204269 [0,1,0,0,0,0|1,0,0]=2 5025 B12R0.184 COC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000204269 [0,1,0,0,0,0|1,0,0]=2 5026 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 34a_100000059025_100009817552 [0,1,0,0,0,0|1,0,0]=2 5027 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 7a_100000059025_100009817552 [0,1,0,0,0,0|1,0,0]=2 5028 B12R0.184 COC(=O)CCCCOC[N+](=O)[O-] 34a_100000059025_100000761209 [0,1,0,0,0,0|3,0,0]=4 5029 B12R0.184 COC(=O)CCCCSCC(=O)N 62a_100000204269_100000747473 [0,1,0,0,0,0|2,0,1]=4 5030 B12R0.184 COC(=O)CCCCSCC(=O)N 62a_100000747473_100000204269 [0,1,0,0,0,0|2,0,1]=4 5031 B12R0.184 COC(=O)CCCCSCC(=O)[O-] 62a_100000204269_100020667443 [0,1,0,0,0,0|2,0,1]=4 5032 B12R0.184 COC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000204269 [0,1,0,0,0,0|2,0,1]=4 5033 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000204269_100000210760 [0,1,0,0,0,0|1,0,0]=2 5034 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000210624_100000204269 [0,1,0,0,0,0|1,0,0]=2 5035 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100000204269_100011218427 [0,1,0,0,0,0|1,0,0]=2 5036 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100011218427_100000204269 [0,1,0,0,0,0|1,0,0]=2 5037 B12R0.184 COC(=O)CCCCSCC(F)F 62a_100000204269_100011934356 [0,1,0,0,0,0|2,0,0]=3 5038 B12R0.184 COC(=O)CCCCSCC(F)F 62a_100011934356_100000204269 [0,1,0,0,0,0|2,0,0]=3 5039 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100000204269_100009817552 [0,1,0,0,0,0|1,0,0]=2 5040 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000204269 [0,1,0,0,0,0|1,0,0]=2 5041 B12R0.184 COC(=O)CCCCSC[N+](=O)[O-] 62a_100000204269_100000761209 [0,1,0,0,0,0|3,0,0]=4 5042 B12R0.184 COC(=O)CCCNCC=C(C)C 34a_100000718196_100000742333 [0,1,0,0,0,0|1,0,2]=4 5043 B12R0.184 COC(=O)CCCNCCC(C)O 2230a_200000755665_100011218270 [0,1,0,0,0,0|1,0,0]=2 5044 B12R0.184 COC(=O)CCCOCC=C(C)C 34a_100000753907_100000742333 [0,1,0,0,0,0|1,0,2]=4 5045 B12R0.184 COC(=O)CCCOCCC(=O)C 34a_100000759926_100000742333 [0,1,0,0,0,0|1,0,1]=3 5046 B12R0.184 COC(=O)CCCOCCC(=O)C 7a_100000759926_100011218270 [0,1,0,0,0,0|1,0,1]=3 5047 B12R0.184 COC(=O)CCCOCCC(=O)N 34a_100000757172_100000742333 [0,1,0,0,0,0|2,0,1]=4 5048 B12R0.184 COC(=O)CCCOCCC(=O)N 7a_100000757172_100011218270 [0,1,0,0,0,0|2,0,1]=4 5049 B12R0.184 COC(=O)CCCOCCC(C)Br 34a_100009893172_100000742333 [0,1,0,0,0,0|1,0,0]=2 5050 B12R0.184 COC(=O)CCCOCCC(C)C 34a_100000210254_100000742333 [0,1,0,0,0,0|1,0,0]=2 5051 B12R0.184 COC(=O)CCCOCCC(C)C 7a_100000210254_100011218270 [0,1,0,0,0,0|1,0,0]=2 5052 B12R0.184 COC(=O)CCCOCCC(F)F 34a_100103093639_100000742333 [0,1,0,0,0,0|2,0,0]=3 5053 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [0,1,0,0,0,0|1,0,0]=2 5054 B12R0.184 COC(=O)CCCSCC=C(C)C 62a_100000761012_100011218270 [0,1,0,0,0,0|1,0,2]=4 5055 B12R0.184 COC(=O)CCCSCC=C(C)C 62a_100011218270_100000761012 [0,1,0,0,0,0|1,0,2]=4 5056 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100000053229_100011218270 [0,1,0,0,0,0|1,0,1]=3 5057 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100011218270_100000053229 [0,1,0,0,0,0|1,0,1]=3 5058 B12R0.184 COC(=O)CCCSCCC(=O)N 62a_100000744528_100011218270 [0,1,0,0,0,0|2,0,1]=4 5059 B12R0.184 COC(=O)CCCSCCC(=O)N 62a_100011218270_100000744528 [0,1,0,0,0,0|2,0,1]=4 5060 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100000210312_100011218270 [0,1,0,0,0,0|1,0,0]=2 5061 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100011218270_100000210312 [0,1,0,0,0,0|1,0,0]=2 5062 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [0,1,0,0,0,0|1,0,0]=2 5063 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [0,1,0,0,0,0|1,0,0]=2 5064 B12R0.184 COC(=O)CCCSCCN(C)C 62a_100011218270_100000755713 [0,1,0,0,0,0|2,0,0]=3 5065 B12R0.184 COC(=O)CCCSCOC(=O)C 62a_100000076356_100011218270 [0,1,0,0,0,0|2,0,1]=4 5066 B12R0.184 COC(=O)CCCSCOC(=O)C 62a_100011218270_100000076356 [0,1,0,0,0,0|2,0,1]=4 5067 B12R0.184 COC(=O)CCCSCOC(C)C 62a_100000709892_100011218270 [0,1,0,0,0,0|2,0,0]=3 5068 B12R0.184 COC(=O)CCCSCOC(C)C 62a_100011218270_100000709892 [0,1,0,0,0,0|2,0,0]=3 5069 B12R0.184 COC(=O)CCNCCCC(=O)N 34a_100000739312_100000742370 [0,1,0,0,0,0|2,0,1]=4 5070 B12R0.184 COC(=O)CCNCCCC(C)C 2230a_200000737386_100000204255 [0,1,0,0,0,0|1,0,0]=2 5071 B12R0.184 COC(=O)CCNCCCC(C)C 34a_200000737386_100000742370 [0,1,0,0,0,0|1,0,0]=2 5072 B12R0.184 COC(=O)CCNCCCS(=O)C 2230a_200000753449_100000204255 [0,1,0,0,0,0|2,0,0]=3 5073 B12R0.184 COC(=O)CCNCCNC(=O)C 2230a_100000209853_100000204255 [0,1,0,0,0,0|2,0,1]=4 5074 B12R0.184 COC(=O)CCNCCOC(C)C 2230a_100000701111_100000204255 [0,1,0,0,0,0|2,0,0]=3 5075 B12R0.184 COC(=O)CCNCCOC(C)C 34a_100000701111_100000742370 [0,1,0,0,0,0|2,0,0]=3 5076 B12R0.184 COC(=O)CCNCCSC(C)C 2230a_100000731138_100000204255 [0,1,0,0,0,0|2,0,0]=3 5077 B12R0.184 COC(=O)CCNCCSC(C)C 34a_100000731138_100000742370 [0,1,0,0,0,0|2,0,0]=3 5078 B12R0.184 COC(=O)CCOCCCC(=O)C 34a_100000759063_100000742370 [0,1,0,0,0,0|1,0,1]=3 5079 B12R0.184 COC(=O)CCOCCCC(=O)C 7a_100000759063_100000204255 [0,1,0,0,0,0|1,0,1]=3 5080 B12R0.184 COC(=O)CCOCCCC(C)C 34a_100000210774_100000742370 [0,1,0,0,0,0|1,0,0]=2 5081 B12R0.184 COC(=O)CCOCCCC(C)C 7a_100000210774_100000204255 [0,1,0,0,0,0|1,0,0]=2 5082 B12R0.184 COC(=O)CCOCCC[N+](=O)[O-] 34a_200000037920_100000742370 [0,1,0,0,0,0|3,0,0]=4 5083 B12R0.184 COC(=O)CCOCCNC(=O)C 188690a_100102954618_100015343762 [0,1,0,0,0,0|2,0,1]=4 5084 B12R0.184 COC(=O)CCOCCNC(=O)C 34a_100000158858_100000742370 [0,1,0,0,0,0|2,0,1]=4 5085 B12R0.184 COC(=O)CCOCCNC(C)C 34a_100000224655_100000742370 [0,1,0,0,0,0|2,0,0]=3 5086 B12R0.184 COC(=O)CCOCCOC(C)C 34a_100000211219_100000742370 [0,1,0,0,0,0|2,0,0]=3 5087 B12R0.184 COC(=O)CCOCCOC(C)C 7a_100000211219_100000204255 [0,1,0,0,0,0|2,0,0]=3 5088 B12R0.184 COC(=O)CCOCCSC(C)C 34a_200011212901_100000742370 [0,1,0,0,0,0|2,0,0]=3 5089 B12R0.184 COC(=O)CCOCCSC(C)C 7a_200011212901_100000204255 [0,1,0,0,0,0|2,0,0]=3 5090 B12R0.184 COC(=O)CCSCCC=C(C)C 62a_100000204255_100011217483 [0,1,0,0,0,0|1,0,2]=4 5091 B12R0.184 COC(=O)CCSCCC=C(C)C 62a_100011217483_100000204255 [0,1,0,0,0,0|1,0,2]=4 5092 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100000204255_100011215641 [0,1,0,0,0,0|1,0,1]=3 5093 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100011215641_100000204255 [0,1,0,0,0,0|1,0,1]=3 5094 B12R0.184 COC(=O)CCSCCCC(=O)N 62a_100000204255_100102525003 [0,1,0,0,0,0|2,0,1]=4 5095 B12R0.184 COC(=O)CCSCCCC(=O)N 62a_100102525003_100000204255 [0,1,0,0,0,0|2,0,1]=4 5096 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100000204255_100011214892 [0,1,0,0,0,0|1,0,0]=2 5097 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100011214892_100000204255 [0,1,0,0,0,0|1,0,0]=2 5098 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [0,1,0,0,0,0|1,0,0]=2 5099 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [0,1,0,0,0,0|1,0,0]=2 5100 B12R0.184 COC(=O)CCSCCCN(C)C 62a_100000204255_100000757444 [0,1,0,0,0,0|2,0,0]=3 5101 B12R0.184 COC(=O)CCSCCNC(=O)C 62a_100000189650_100000204255 [0,1,0,0,0,0|2,0,1]=4 5102 B12R0.184 COC(=O)CCSCCNC(=O)C 62a_100000204255_100000189650 [0,1,0,0,0,0|2,0,1]=4 5103 B12R0.184 COC(=O)CCSCCOC(=O)C 62a_100000204255_100009814007 [0,1,0,0,0,0|2,0,1]=4 5104 B12R0.184 COC(=O)CCSCCOC(=O)C 62a_100009814007_100000204255 [0,1,0,0,0,0|2,0,1]=4 5105 B12R0.184 COC(=O)CCSCCOC(C)C 62a_100000204255_100000211751 [0,1,0,0,0,0|2,0,0]=3 5106 B12R0.184 COC(=O)CCSCCOC(C)C 62a_100000211751_100000204255 [0,1,0,0,0,0|2,0,0]=3 5107 B12R0.184 COC(=O)CCSCCSC(C)C 62a_100000204255_100000730970 [0,1,0,0,0,0|2,0,0]=3 5108 B12R0.184 COC(=O)CCSCCSC(C)C 62a_100000730970_100000204255 [0,1,0,0,0,0|2,0,0]=3 5109 B12R0.184 COC(=O)CNCCCCC(=O)N 34a_100000696515_100000747449 [0,1,0,0,0,0|2,0,1]=4 5110 B12R0.184 COC(=O)CNCCCNC(=O)C 34a_100000736810_100000747449 [0,1,0,0,0,0|2,0,1]=4 5111 B12R0.184 COC(=O)CNCCCOC(C)C 2230a_100000737246_100000747449 [0,1,0,0,0,0|2,0,0]=3 5112 B12R0.184 COC(=O)CNCCCOC(C)C 34a_100000737246_100000747449 [0,1,0,0,0,0|2,0,0]=3 5113 B12R0.184 COC(=O)COCCCCC(=O)N 34a_100012022536_100000747449 [0,1,0,0,0,0|2,0,1]=4 5114 B12R0.184 COC(=O)COCCCCC(=O)N 7a_100012022536_100000747449 [0,1,0,0,0,0|2,0,1]=4 5115 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [0,1,0,0,0,0|1,0,0]=2 5116 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [0,1,0,0,0,0|1,0,0]=2 5117 B12R0.184 COC(=O)COCCCC[N+](=O)[O-] 34a_200015379883_100000747449 [0,1,0,0,0,0|3,0,0]=4 5118 B12R0.184 COC(=O)COCCCC[N+](=O)[O-] 7a_200015379883_100000747449 [0,1,0,0,0,0|3,0,0]=4 5119 B12R0.184 COC(=O)COCCCNC(=O)C 34a_100000752032_100000747449 [0,1,0,0,0,0|2,0,1]=4 5120 B12R0.184 COC(=O)COCCCNC(C)C 34a_100000182298_100000747449 [0,1,0,0,0,0|2,0,0]=3 5121 B12R0.184 COC(=O)COCCNCC(C)C 2230a_100000210953_100000090808 [0,1,0,0,0,0|2,0,0]=3 5122 B12R0.184 COC(=O)COCCNCC(C)C 34a_100000210953_100000090808 [0,1,0,0,0,0|2,0,0]=3 5123 B12R0.184 COC(=O)COCCNCC(C)C 34a_100015185251_100000747449 [0,1,0,0,0,0|2,0,0]=3 5124 B12R0.184 COC(=O)COCCNCC(C)O 2230a_100000210904_100000090808 [0,1,0,0,0,0|2,0,0]=3 5125 B12R0.184 COC(=O)COCCNCC(C)O 34a_100000210904_100000090808 [0,1,0,0,0,0|2,0,0]=3 5126 B12R0.184 COC(=O)COCCNCC(F)F 34a_100000765723_100000090808 [0,1,0,0,0,0|3,0,0]=4 5127 B12R0.184 COC(=O)COCCOCC(=O)C 34a_100000211253_100000090808 [0,1,0,0,0,0|2,0,1]=4 5128 B12R0.184 COC(=O)COCCOCC(C)Br 34a_100012180447_100000090808 [0,1,0,0,0,0|2,0,0]=3 5129 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000210257_100000090808 [0,1,0,0,0,0|2,0,0]=3 5130 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000703358_100000747449 [0,1,0,0,0,0|2,0,0]=3 5131 B12R0.184 COC(=O)COCCOCC(C)C 7a_100000703358_100000747449 [0,1,0,0,0,0|2,0,0]=3 5132 B12R0.184 COC(=O)COCCOCC(C)F 34a_100015925927_100000090808 [0,1,0,0,0,0|2,0,0]=3 5133 B12R0.184 COC(=O)COCCOCC(F)F 34a_100000704375_100000747449 [0,1,0,0,0,0|3,0,0]=4 5134 B12R0.184 COC(=O)COCCOCC(F)F 34a_100000743014_100000090808 [0,1,0,0,0,0|3,0,0]=4 5135 B12R0.184 COC(=O)COCCOCC(F)F 7a_100000704375_100000747449 [0,1,0,0,0,0|3,0,0]=4 5136 B12R0.184 COC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000090808 [0,1,0,0,0,0|2,0,0]=3 5137 B12R0.184 COC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000090808 [0,1,0,0,0,0|2,0,0]=3 5138 B12R0.184 COC(=O)COCCSCC(C)C 34a_200000230437_100000747449 [0,1,0,0,0,0|2,0,0]=3 5139 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000090808_100000210760 [0,1,0,0,0,0|2,0,0]=3 5140 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000210624_100000090808 [0,1,0,0,0,0|2,0,0]=3 5141 B12R0.184 COC(=O)COCCSCC(C)C 7a_200000230437_100000747449 [0,1,0,0,0,0|2,0,0]=3 5142 B12R0.184 COC(=O)COCCSCC(C)O 62a_100000090808_100011218427 [0,1,0,0,0,0|2,0,0]=3 5143 B12R0.184 COC(=O)COCCSCC(C)O 62a_100011218427_100000090808 [0,1,0,0,0,0|2,0,0]=3 5144 B12R0.184 COC(=O)COCCSCC(F)F 62a_100000090808_100011934356 [0,1,0,0,0,0|3,0,0]=4 5145 B12R0.184 COC(=O)COCCSCC(F)F 62a_100011934356_100000090808 [0,1,0,0,0,0|3,0,0]=4 5146 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100000090808_100009817552 [0,1,0,0,0,0|2,0,0]=3 5147 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000090808 [0,1,0,0,0,0|2,0,0]=3 5148 B12R0.184 COC(=O)CSCCCCB(O)O 62a_100000747449_200009817182 [0,1,0,0,0,0|3,0,0]=4 5149 B12R0.184 COC(=O)CSCCCCB(O)O 62a_200009817182_100000747449 [0,1,0,0,0,0|3,0,0]=4 5150 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000735457_100000747449 [0,1,0,0,0,0|1,0,1]=3 5151 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000747449_100000735457 [0,1,0,0,0,0|1,0,1]=3 5152 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [0,1,0,0,0,0|1,0,0]=2 5153 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [0,1,0,0,0,0|1,0,0]=2 5154 B12R0.184 COC(=O)CSCCCCN(C)C 62a_100000747449_100000690147 [0,1,0,0,0,0|2,0,0]=3 5155 B12R0.184 COC(=O)CSCCCOC(=O)C 62a_100000042594_100000747449 [0,1,0,0,0,0|2,0,1]=4 5156 B12R0.184 COC(=O)CSCCCOC(=O)C 62a_100000747449_100000042594 [0,1,0,0,0,0|2,0,1]=4 5157 B12R0.184 COC(=O)CSCCCOC(=S)C 62a_100000747449_200135323944 [0,1,0,0,0,0|2,0,1]=4 5158 B12R0.184 COC(=O)CSCCCOC(=S)C 62a_200135323944_100000747449 [0,1,0,0,0,0|2,0,1]=4 5159 B12R0.184 COC(=O)CSCCCSC(=O)C 62a_100000038929_100000747449 [0,1,0,0,0,0|2,0,1]=4 5160 B12R0.184 COC(=O)CSCCCSC(=O)C 62a_100000747449_100000038929 [0,1,0,0,0,0|2,0,1]=4 5161 B12R0.184 COC(=O)CSCCOCC(F)F 62a_100000747449_200012177212 [0,1,0,0,0,0|3,0,0]=4 5162 B12R0.184 COC(=O)CSCCOCC(F)F 62a_200012177212_100000747449 [0,1,0,0,0,0|3,0,0]=4 5163 B12R0.184 COC(=O)NCCOCCC(C)C 34a_100000757965_100000210312 [0,1,0,0,0,0|2,0,0]=3 5164 B12R0.184 COC(=O)NCCOCCC(C)O 34a_100000757965_100012276601 [0,1,0,0,0,0|2,0,0]=3 5165 B12R0.184 COC(=O)NCCOCOC(C)C 34a_100000757965_100000709892 [0,1,0,0,0,0|3,0,0]=4 5166 B12R0.184 COC(=O)OCCOCCC(C)C 34a_100010262106_100000210312 [0,1,0,0,0,0|2,0,0]=3 5167 B12R0.184 COC(=O)OCCOCCC(C)O 34a_100010262106_100012276601 [0,1,0,0,0,0|2,0,0]=3 5168 B12R0.184 COC(=O)OCCOCOC(C)C 34a_100010262106_100000709892 [0,1,0,0,0,0|3,0,0]=4 5169 B12R0.184 COC(=O)OCSCCCC(=O)C 62a_100011215641_100000139417 [0,1,0,0,0,0|2,0,1]=4 5170 B12R0.184 COC(=O)OCSCCCC(C)C 62a_100011214892_100000139417 [0,1,0,0,0,0|2,0,0]=3 5171 B12R0.184 COC(=O)OCSCCCC(C)O 62a_200000718107_100000139417 [0,1,0,0,0,0|2,0,0]=3 5172 B12R0.184 COC(=O)OCSCCOC(C)C 62a_100000211751_100000139417 [0,1,0,0,0,0|3,0,0]=4 5173 B12R0.184 COC(=O)OCSCCSC(C)C 62a_100000730970_100000139417 [0,1,0,0,0,0|3,0,0]=4 5174 B12R0.184 COC(C)CCOCCCC(C)C 7a_100000764861_100011214892 [0,1,0,0,0,0|2,0,1]=4 5175 B12R0.184 COC(C)CCOCCCC(C)O 7a_100000764861_200000718107 [0,1,0,0,0,0|2,0,1]=4 5176 B12R0.184 COC(C)COCCCCC(C)C 34a_100000690652_100011216152 [0,1,0,0,0,0|2,0,1]=4 5177 B12R0.184 COC(C)SCCCCCC(C)C 62a_100000210682_100009879195 [0,1,0,0,0,0|2,0,1]=4 5178 B12R0.184 COC(C)SCCCCCC(C)C 62a_100009879195_100000210682 [0,1,0,0,0,0|2,0,1]=4 5179 B12R0.184 CO[C@H](C)CNCCCCC(C)C 2230a_100020591295_100011216152 [0,1,0,0,0,0|2,0,1]=4 5180 B12R0.248 C#CC(=O)CCCC#CCCCC 1458a_100000211873_200000047210 [0,1,0,0,0,0|1,0,2]=4 5181 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [0,1,0,0,0,0|1,0,2]=4 5182 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,1,0,0,0,0|1,0,1]=3 5183 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,1,0,0,0,0|1,0,1]=3 5184 B12R0.248 C#CCCCCCCCC(=O)C#C 1458a_100000211873_100153394163 [0,1,0,0,0,0|1,0,2]=4 5185 B12R0.248 C#CCCCCCCCC(=O)C=C 1458a_100000185746_100153394163 [0,1,0,0,0,0|1,0,2]=4 5186 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,1,0,0,0,0|1,0,1]=3 5187 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,1,0,0,0,0|1,0,1]=3 5188 B12R0.248 C#CCCCCCCCC(=O)CF 1458a_100000087357_100015361967 [0,1,0,0,0,0|2,0,1]=4 5189 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,1,0,0,0,0|2,0,1]=4 5190 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [0,1,0,0,0,0|1,0,1]=3 5191 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [0,1,0,0,0,0|1,0,1]=3 5192 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [0,1,0,0,0,0|1,0,1]=3 5193 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [0,1,0,0,0,0|1,0,1]=3 5194 B12R0.248 C#CCCCCCNCC(=O)NC 2230a_100000693194_100012094781 [0,1,0,0,0,0|1,0,2]=4 5195 B12R0.248 C#CCCCCCOCC(=O)CC 34a_100000725409_100012094781 [0,1,0,0,0,0|1,0,2]=4 5196 B12R0.248 C#CCCCCCOCC(=O)CC 7a_100000766912_100000747405 [0,1,0,0,0,0|1,0,2]=4 5197 B12R0.248 C#CCCCCCOCC(=O)NC 34a_100000750040_100012094781 [0,1,0,0,0,0|1,0,2]=4 5198 B12R0.248 C#CCCCCCOCC(=O)NC 34a_100000766912_100000183359 [0,1,0,0,0,0|1,0,2]=4 5199 B12R0.248 C#CCCCCCOCC(=O)NC 7a_100000766912_100000183359 [0,1,0,0,0,0|1,0,2]=4 5200 B12R0.248 C#CCCCCCOCC(=O)OC 34a_100000766912_100000747449 [0,1,0,0,0,0|0,0,2]=3 5201 B12R0.248 C#CCCCCCOCC(=O)OC 7a_100000766912_100000747449 [0,1,0,0,0,0|0,0,2]=3 5202 B12R0.248 C#CCCCCCSCC(=O)CC 62a_100000747405_100012094781 [0,1,0,0,0,0|1,0,2]=4 5203 B12R0.248 C#CCCCCCSCC(=O)CC 62a_100012094781_100000747405 [0,1,0,0,0,0|1,0,2]=4 5204 B12R0.248 C#CCCCCCSCC(=O)NC 62a_100000183359_100012094781 [0,1,0,0,0,0|1,0,2]=4 5205 B12R0.248 C#CCCCCCSCC(=O)NC 62a_100012094781_100000183359 [0,1,0,0,0,0|1,0,2]=4 5206 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100000747449_100012094781 [0,1,0,0,0,0|0,0,2]=3 5207 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100012094781_100000747449 [0,1,0,0,0,0|0,0,2]=3 5208 B12R0.248 C#CCCCCNCCC(=O)NC 2230a_100000706060_100000737683 [0,1,0,0,0,0|1,0,2]=4 5209 B12R0.248 C#CCCCCNCCC(=O)NC 2230a_100000738227_100010269958 [0,1,0,0,0,0|1,0,2]=4 5210 B12R0.248 C#CCCCCNCCC(=O)NC 34a_100000706060_100012179268 [0,1,0,0,0,0|1,0,2]=4 5211 B12R0.248 C#CCCCCNCCC(=O)NC 34a_100000738227_100010269958 [0,1,0,0,0,0|1,0,2]=4 5212 B12R0.248 C#CCCCCNCCC(=O)OC 2230a_100000706060_100000204255 [0,1,0,0,0,0|0,0,2]=3 5213 B12R0.248 C#CCCCCNCCC(=O)OC 34a_100000706060_100000742370 [0,1,0,0,0,0|0,0,2]=3 5214 B12R0.248 C#CCCCCOCCC(=O)NC 34a_100000754576_100010269958 [0,1,0,0,0,0|1,0,2]=4 5215 B12R0.248 C#CCCCCOCCC(=O)NC 34a_100000766709_100012179268 [0,1,0,0,0,0|1,0,2]=4 5216 B12R0.248 C#CCCCCOCCC(=O)NC 7a_100000766709_100000737683 [0,1,0,0,0,0|1,0,2]=4 5217 B12R0.248 C#CCCCCOCCC(=O)OC 34a_100000766709_100000742370 [0,1,0,0,0,0|0,0,2]=3 5218 B12R0.248 C#CCCCCOCCC(=O)OC 7a_100000766709_100000204255 [0,1,0,0,0,0|0,0,2]=3 5219 B12R0.248 C#CCCCCSCCC(=O)NC 62a_100000737683_100010269958 [0,1,0,0,0,0|1,0,2]=4 5220 B12R0.248 C#CCCCCSCCC(=O)NC 62a_100010269958_100000737683 [0,1,0,0,0,0|1,0,2]=4 5221 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100000204255_100010269958 [0,1,0,0,0,0|0,0,2]=3 5222 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100010269958_100000204255 [0,1,0,0,0,0|0,0,2]=3 5223 B12R0.248 C#CCCCCSCOC(=O)OC 62a_100010269958_100000139417 [0,1,0,0,0,0|1,0,2]=4 5224 B12R0.248 C#CCCCNCCCC(=O)NC 2230a_100000740002_100000731252 [0,1,0,0,0,0|1,0,2]=4 5225 B12R0.248 C#CCCCNCCCC(=O)NC 34a_100000718082_100000741757 [0,1,0,0,0,0|1,0,2]=4 5226 B12R0.248 C#CCCCNCCCC(=O)NC 34a_100000740002_100000695029 [0,1,0,0,0,0|1,0,2]=4 5227 B12R0.248 C#CCCCNCCCC(=O)OC 34a_100000718082_100000742333 [0,1,0,0,0,0|0,0,2]=3 5228 B12R0.248 C#CCCCOCCCC(=O)NC 34a_100000215630_100000741757 [0,1,0,0,0,0|1,0,2]=4 5229 B12R0.248 C#CCCCOCCCC(=O)NC 7a_100000215630_100000741757 [0,1,0,0,0,0|1,0,2]=4 5230 B12R0.248 C#CCCCOCCCC(=O)OC 34a_100000215630_100000742333 [0,1,0,0,0,0|0,0,2]=3 5231 B12R0.248 C#CCCCOCCCC(=O)OC 7a_100000215630_100011218270 [0,1,0,0,0,0|0,0,2]=3 5232 B12R0.248 C#CCCCOCCNC(=O)OC 34a_100000757965_100000695029 [0,1,0,0,0,0|1,0,2]=4 5233 B12R0.248 C#CCCCOCCOC(=O)OC 34a_100010262106_100000695029 [0,1,0,0,0,0|1,0,2]=4 5234 B12R0.248 C#CCCCSCCCC(=O)NC 62a_100000741757_100011215417 [0,1,0,0,0,0|1,0,2]=4 5235 B12R0.248 C#CCCCSCCCC(=O)NC 62a_100011215417_100000741757 [0,1,0,0,0,0|1,0,2]=4 5236 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011215417_100011218270 [0,1,0,0,0,0|0,0,2]=3 5237 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011218270_100011215417 [0,1,0,0,0,0|0,0,2]=3 5238 B12R0.248 C#CCCNCCCCC(=O)OC 34a_100000755551_100000204269 [0,1,0,0,0,0|0,0,2]=3 5239 B12R0.248 C#CCCNCCOCC(=O)OC 34a_100000755551_100000090808 [0,1,0,0,0,0|1,0,2]=4 5240 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100000059025_100000688953 [0,1,0,0,0,0|0,0,2]=3 5241 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100011215631_100000204269 [0,1,0,0,0,0|0,0,2]=3 5242 B12R0.248 C#CCCOCCCCC(=O)OC 7a_100000059025_100000688953 [0,1,0,0,0,0|0,0,2]=3 5243 B12R0.248 C#CCCOCCOCC(=O)OC 34a_100011215631_100000090808 [0,1,0,0,0,0|1,0,2]=4 5244 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000204269_100000688953 [0,1,0,0,0,0|0,0,2]=3 5245 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000688953_100000204269 [0,1,0,0,0,0|0,0,2]=3 5246 B12R0.248 C#CCCSCCOCC(=O)OC 62a_100000090808_100000688953 [0,1,0,0,0,0|1,0,2]=4 5247 B12R0.248 C#CCCSCCOCC(=O)OC 62a_100000688953_100000090808 [0,1,0,0,0,0|1,0,2]=4 5248 B12R0.248 C#CCNCCCCCC(=O)OC 34a_100000212058_100009816466 [0,1,0,0,0,0|0,0,2]=3 5249 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000074720_100000184674 [0,1,0,0,0,0|0,0,2]=3 5250 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000210247_100009816466 [0,1,0,0,0,0|0,0,2]=3 5251 B12R0.248 C#CCOCCCCCC(=O)OC 7a_100000074720_100000038162 [0,1,0,0,0,0|0,0,2]=3 5252 B12R0.248 C#CCOCCNCCC(=O)OC 2230a_100000700922_100000204255 [0,1,0,0,0,0|1,0,2]=4 5253 B12R0.248 C#CCOCCNCCC(=O)OC 34a_100000700922_100000742370 [0,1,0,0,0,0|1,0,2]=4 5254 B12R0.248 C#CCOCCOCCC(=O)OC 34a_100000054580_100000742370 [0,1,0,0,0,0|1,0,2]=4 5255 B12R0.248 C#CCOCCOCCC(=O)OC 7a_100000054580_100000204255 [0,1,0,0,0,0|1,0,2]=4 5256 B12R0.248 C#CCOCCSCCC(=O)OC 62a_100000204255_100010402529 [0,1,0,0,0,0|1,0,2]=4 5257 B12R0.248 C#CCOCCSCCC(=O)OC 62a_100010402529_100000204255 [0,1,0,0,0,0|1,0,2]=4 5258 B12R0.248 C#CCSCCCCCC(=O)OC 62a_100000038162_100009816466 [0,1,0,0,0,0|0,0,2]=3 5259 B12R0.248 C/C=C/CCOCCCC(=O)NC 34a_100016278192_100000741757 [0,1,0,0,0,0|1,0,2]=4 5260 B12R0.248 C/C=C/CCOCCCC(=O)OC 34a_100016278192_100000742333 [0,1,0,0,0,0|0,0,2]=3 5261 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100000059025_100102629194 [0,1,0,0,0,0|0,0,2]=3 5262 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100016270725_100000204269 [0,1,0,0,0,0|0,0,2]=3 5263 B12R0.248 C/C=C/COCCCCC(=O)OC 7a_100000059025_100102629194 [0,1,0,0,0,0|0,0,2]=3 5264 B12R0.248 C/C=C/COCCOCC(=O)OC 34a_100016270725_100000090808 [0,1,0,0,0,0|1,0,2]=4 5265 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100000204269_100102629194 [0,1,0,0,0,0|0,0,2]=3 5266 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100102629194_100000204269 [0,1,0,0,0,0|0,0,2]=3 5267 B12R0.248 C/C=C/CSCCOCC(=O)OC 62a_100000090808_100102629194 [0,1,0,0,0,0|1,0,2]=4 5268 B12R0.248 C/C=C/CSCCOCC(=O)OC 62a_100102629194_100000090808 [0,1,0,0,0,0|1,0,2]=4 5269 B12R0.248 C=C(C#N)CNCCCCCCC 2230a_100000229938_100000694840 [0,1,0,0,0,0|3,0,0]=4 5270 B12R0.248 C=C(C#N)COCCCCCCC 34a_100000210272_100000694840 [0,1,0,0,0,0|3,0,0]=4 5271 B12R0.248 C=C(C#N)CSCCCCCCC 62a_100000210614_100000694840 [0,1,0,0,0,0|3,0,0]=4 5272 B12R0.248 C=CC(=O)CCCC#CCCCC 1458a_100000185746_200000047210 [0,1,0,0,0,0|1,0,2]=4 5273 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,0,0,0,0|1,0,1]=3 5274 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,1,0,0,0,0|1,0,1]=3 5275 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,1,0,0,0,0|1,0,1]=3 5276 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,1,0,0,0,0|1,0,1]=3 5277 B12R0.248 C=CC(=O)NCCCCCCCO 240690a_100011996573_200121576911 [0,1,0,0,0,0|2,0,1]=4 5278 B12R0.248 C=CC(=O)NCCCCOCCC 34a_100014118770_100000210303 [0,1,0,0,0,0|2,0,1]=4 5279 B12R0.248 C=CC(=O)NCCCOCCCC 1626a_200000211371_100000185746 [0,1,0,0,0,0|2,0,1]=4 5280 B12R0.248 C=CC(=O)NCCCOCCCC 240690a_200000211371_200121576911 [0,1,0,0,0,0|2,0,1]=4 5281 B12R0.248 C=CC(=O)NCCNCCCCC 2230a_114873766552_100000210326 [0,1,0,0,0,0|2,0,1]=4 5282 B12R0.248 C=CC(=O)NCCOCCCCC 34a_100011304386_100000718602 [0,1,0,0,0,0|2,0,1]=4 5283 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,1,0,0,0,0|2,0,1]=4 5284 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,1,0,0,0,0|2,0,1]=4 5285 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,1,0,0,0,0|2,0,1]=4 5286 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,1,0,0,0,0|2,0,1]=4 5287 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,1,0,0,0,0|2,0,1]=4 5288 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,1,0,0,0,0|2,0,1]=4 5289 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,1,0,0,0,0|2,0,1]=4 5290 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,1,0,0,0,0|2,0,1]=4 5291 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,1,0,0,0,0|2,0,1]=4 5292 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,1,0,0,0,0|2,0,1]=4 5293 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,1,0,0,0,0|2,0,1]=4 5294 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,1,0,0,0,0|2,0,1]=4 5295 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,1,0,0,0,0|2,0,1]=4 5296 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,1,0,0,0,0|2,0,1]=4 5297 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [0,1,0,0,0,0|1,0,2]=4 5298 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,1,0,0,0,0|1,0,1]=3 5299 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,1,0,0,0,0|1,0,1]=3 5300 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,1,0,0,0,0|2,0,1]=4 5301 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,1,0,0,0,0|2,0,1]=4 5302 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,1,0,0,0,0|1,0,1]=3 5303 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,1,0,0,0,0|1,0,1]=3 5304 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,1,0,0,0,0|1,0,1]=3 5305 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,1,0,0,0,0|1,0,1]=3 5306 B12R0.248 C=CCCCCCNCC(=O)NC 2230a_100000693194_100000700193 [0,1,0,0,0,0|1,0,2]=4 5307 B12R0.248 C=CCCCCCOCC(=O)CC 34a_100000725409_100000700193 [0,1,0,0,0,0|1,0,2]=4 5308 B12R0.248 C=CCCCCCOCC(=O)CC 7a_100011216702_100000747405 [0,1,0,0,0,0|1,0,2]=4 5309 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100000750040_100000700193 [0,1,0,0,0,0|1,0,2]=4 5310 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100011216702_100000183359 [0,1,0,0,0,0|1,0,2]=4 5311 B12R0.248 C=CCCCCCOCC(=O)NC 7a_100011216702_100000183359 [0,1,0,0,0,0|1,0,2]=4 5312 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [0,1,0,0,0,0|0,0,2]=3 5313 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [0,1,0,0,0,0|0,0,2]=3 5314 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000700193_100000747405 [0,1,0,0,0,0|1,0,2]=4 5315 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000747405_100000700193 [0,1,0,0,0,0|1,0,2]=4 5316 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000183359_100000700193 [0,1,0,0,0,0|1,0,2]=4 5317 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000700193_100000183359 [0,1,0,0,0,0|1,0,2]=4 5318 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000700193_100000747449 [0,1,0,0,0,0|0,0,2]=3 5319 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000747449_100000700193 [0,1,0,0,0,0|0,0,2]=3 5320 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000703577_100000737683 [0,1,0,0,0,0|1,0,2]=4 5321 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000738227_100011215482 [0,1,0,0,0,0|1,0,2]=4 5322 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000703577_100012179268 [0,1,0,0,0,0|1,0,2]=4 5323 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000738227_100011215482 [0,1,0,0,0,0|1,0,2]=4 5324 B12R0.248 C=CCCCCNCCC(=O)OC 2230a_100000703577_100000204255 [0,1,0,0,0,0|0,0,2]=3 5325 B12R0.248 C=CCCCCNCCC(=O)OC 34a_100000703577_100000742370 [0,1,0,0,0,0|0,0,2]=3 5326 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000754576_100011215482 [0,1,0,0,0,0|1,0,2]=4 5327 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000766645_100012179268 [0,1,0,0,0,0|1,0,2]=4 5328 B12R0.248 C=CCCCCOCCC(=O)NC 7a_100000766645_100000737683 [0,1,0,0,0,0|1,0,2]=4 5329 B12R0.248 C=CCCCCOCCC(=O)OC 34a_100000766645_100000742370 [0,1,0,0,0,0|0,0,2]=3 5330 B12R0.248 C=CCCCCOCCC(=O)OC 7a_100000766645_100000204255 [0,1,0,0,0,0|0,0,2]=3 5331 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100000737683_100011215482 [0,1,0,0,0,0|1,0,2]=4 5332 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100011215482_100000737683 [0,1,0,0,0,0|1,0,2]=4 5333 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100000204255_100011215482 [0,1,0,0,0,0|0,0,2]=3 5334 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100011215482_100000204255 [0,1,0,0,0,0|0,0,2]=3 5335 B12R0.248 C=CCCCCSCOC(=O)OC 62a_100011215482_100000139417 [0,1,0,0,0,0|1,0,2]=4 5336 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000700776_100000741757 [0,1,0,0,0,0|1,0,2]=4 5337 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000740002_100011713584 [0,1,0,0,0,0|1,0,2]=4 5338 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000700776_100000741757 [0,1,0,0,0,0|1,0,2]=4 5339 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000740002_100000757094 [0,1,0,0,0,0|1,0,2]=4 5340 B12R0.248 C=CCCCNCCCC(=O)OC 2230a_100000700776_100011218270 [0,1,0,0,0,0|0,0,2]=3 5341 B12R0.248 C=CCCCNCCCC(=O)OC 34a_100000700776_100000742333 [0,1,0,0,0,0|0,0,2]=3 5342 B12R0.248 C=CCCCOCCCC(=O)NC 34a_100000758997_100000741757 [0,1,0,0,0,0|1,0,2]=4 5343 B12R0.248 C=CCCCOCCCC(=O)NC 7a_100000758997_100000741757 [0,1,0,0,0,0|1,0,2]=4 5344 B12R0.248 C=CCCCOCCCC(=O)OC 34a_100000758997_100000742333 [0,1,0,0,0,0|0,0,2]=3 5345 B12R0.248 C=CCCCOCCCC(=O)OC 7a_100000758997_100011218270 [0,1,0,0,0,0|0,0,2]=3 5346 B12R0.248 C=CCCCOCCNC(=O)OC 34a_100000757965_100000757094 [0,1,0,0,0,0|1,0,2]=4 5347 B12R0.248 C=CCCCOCCOC(=O)OC 34a_100010262106_100000757094 [0,1,0,0,0,0|1,0,2]=4 5348 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100000741757_100000757094 [0,1,0,0,0,0|1,0,2]=4 5349 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100011713584_100000741757 [0,1,0,0,0,0|1,0,2]=4 5350 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011218270_100000757094 [0,1,0,0,0,0|0,0,2]=3 5351 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011713584_100011218270 [0,1,0,0,0,0|0,0,2]=3 5352 B12R0.248 C=CCCNCCCCC(=O)OC 2230a_100015191253_100000204269 [0,1,0,0,0,0|0,0,2]=3 5353 B12R0.248 C=CCCNCCOCC(=O)OC 2230a_100015191253_100000090808 [0,1,0,0,0,0|1,0,2]=4 5354 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100000059025_100000754431 [0,1,0,0,0,0|0,0,2]=3 5355 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100011205117_100000204269 [0,1,0,0,0,0|0,0,2]=3 5356 B12R0.248 C=CCCOCCCCC(=O)OC 7a_100000059025_100000754431 [0,1,0,0,0,0|0,0,2]=3 5357 B12R0.248 C=CCCOCCOCC(=O)OC 34a_100011205117_100000090808 [0,1,0,0,0,0|1,0,2]=4 5358 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000204269_100000754431 [0,1,0,0,0,0|0,0,2]=3 5359 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000754431_100000204269 [0,1,0,0,0,0|0,0,2]=3 5360 B12R0.248 C=CCCSCCOCC(=O)OC 62a_100000090808_100000754431 [0,1,0,0,0,0|1,0,2]=4 5361 B12R0.248 C=CCCSCCOCC(=O)OC 62a_100000754431_100000090808 [0,1,0,0,0,0|1,0,2]=4 5362 B12R0.248 C=CCNCCCCCC(=O)OC 2230a_100020586998_100009816466 [0,1,0,0,0,0|0,0,2]=3 5363 B12R0.248 C=CCOCCCCCC(=O)OC 34a_100000074720_100015514636 [0,1,0,0,0,0|0,0,2]=3 5364 B12R0.248 C=CCOCCCCCC(=O)OC 34a_200000210373_100009816466 [0,1,0,0,0,0|0,0,2]=3 5365 B12R0.248 C=CCOCCCCCC(=O)OC 7a_100000074720_100015514636 [0,1,0,0,0,0|0,0,2]=3 5366 B12R0.248 C=CCOCCOCCC(=O)OC 34a_100000037705_100000742370 [0,1,0,0,0,0|1,0,2]=4 5367 B12R0.248 C=CCOCCOCCC(=O)OC 7a_100000037705_100000204255 [0,1,0,0,0,0|1,0,2]=4 5368 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100000210623_100009816466 [0,1,0,0,0,0|0,0,2]=3 5369 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100009816466_100000210623 [0,1,0,0,0,0|0,0,2]=3 5370 B12R0.248 C=COCCCCOCC(=O)OC 34a_100000031558_100000747449 [0,1,0,0,0,0|1,0,2]=4 5371 B12R0.248 C=COCCCCOCC(=O)OC 7a_100000031558_100000747449 [0,1,0,0,0,0|1,0,2]=4 5372 B12R0.248 C=COCCCNCCC(=O)OC 2230a_100000210767_100000204255 [0,1,0,0,0,0|1,0,2]=4 5373 B12R0.248 C=COCCCNCCC(=O)OC 34a_100000210767_100000742370 [0,1,0,0,0,0|1,0,2]=4 5374 B12R0.248 C=COCCOCCCC(=O)OC 34a_100000033082_100000742333 [0,1,0,0,0,0|1,0,2]=4 5375 B12R0.248 C=COCCSCCCC(=O)OC 62a_100000039644_100011218270 [0,1,0,0,0,0|1,0,2]=4 5376 B12R0.248 C=COCCSCCCC(=O)OC 62a_100011218270_100000039644 [0,1,0,0,0,0|1,0,2]=4 5377 B12R0.248 CC#CCCOCCCC(=O)NC 34a_100000750427_100000741757 [0,1,0,0,0,0|1,0,2]=4 5378 B12R0.248 CC#CCCOCCCC(=O)OC 34a_100000750427_100000742333 [0,1,0,0,0,0|0,0,2]=3 5379 B12R0.248 CC#CCNCCCCC(=O)OC 2230a_100000685387_100000204269 [0,1,0,0,0,0|0,0,2]=3 5380 B12R0.248 CC#CCNCCCCC(=O)OC 34a_100000685387_100000204269 [0,1,0,0,0,0|0,0,2]=3 5381 B12R0.248 CC#CCNCCOCC(=O)OC 2230a_100000685387_100000090808 [0,1,0,0,0,0|1,0,2]=4 5382 B12R0.248 CC#CCNCCOCC(=O)OC 34a_100000685387_100000090808 [0,1,0,0,0,0|1,0,2]=4 5383 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000059025_100000748600 [0,1,0,0,0,0|0,0,2]=3 5384 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000761923_100000204269 [0,1,0,0,0,0|0,0,2]=3 5385 B12R0.248 CC#CCOCCCCC(=O)OC 7a_100000059025_100000748600 [0,1,0,0,0,0|0,0,2]=3 5386 B12R0.248 CC#CCOCCOCC(=O)OC 34a_100000761923_100000090808 [0,1,0,0,0,0|1,0,2]=4 5387 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000204269_100000748600 [0,1,0,0,0,0|0,0,2]=3 5388 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000748600_100000204269 [0,1,0,0,0,0|0,0,2]=3 5389 B12R0.248 CC#CCSCCOCC(=O)OC 62a_100000090808_100000748600 [0,1,0,0,0,0|1,0,2]=4 5390 B12R0.248 CC#CCSCCOCC(=O)OC 62a_100000748600_100000090808 [0,1,0,0,0,0|1,0,2]=4 5391 B12R0.248 CC/C=C/CCCOCC(=O)CC 7a_100016287902_100000747405 [0,1,0,0,0,0|1,0,2]=4 5392 B12R0.248 CC/C=C/CCCOCC(=O)NC 34a_100016287902_100000183359 [0,1,0,0,0,0|1,0,2]=4 5393 B12R0.248 CC/C=C/CCCOCC(=O)NC 7a_100016287902_100000183359 [0,1,0,0,0,0|1,0,2]=4 5394 B12R0.248 CC/C=C/CCCOCC(=O)OC 34a_100016287902_100000747449 [0,1,0,0,0,0|0,0,2]=3 5395 B12R0.248 CC/C=C/CCCOCC(=O)OC 7a_100016287902_100000747449 [0,1,0,0,0,0|0,0,2]=3 5396 B12R0.248 CC/C=C\CCNCCC(=O)NC 2230a_100000738227_100015370543 [0,1,0,0,0,0|1,0,2]=4 5397 B12R0.248 CC/C=C\CCNCCC(=O)NC 34a_100000738227_100015370543 [0,1,0,0,0,0|1,0,2]=4 5398 B12R0.248 CC/C=C\CCOCCC(=O)NC 34a_100000754576_100015370543 [0,1,0,0,0,0|1,0,2]=4 5399 B12R0.248 CC/C=C\CCOCCC(=O)NC 34a_100016288707_100012179268 [0,1,0,0,0,0|1,0,2]=4 5400 B12R0.248 CC/C=C\CCOCCC(=O)NC 7a_100016288707_100000737683 [0,1,0,0,0,0|1,0,2]=4 5401 B12R0.248 CC/C=C\CCOCCC(=O)OC 34a_100016288707_100000742370 [0,1,0,0,0,0|0,0,2]=3 5402 B12R0.248 CC/C=C\CCOCCC(=O)OC 7a_100016288707_100000204255 [0,1,0,0,0,0|0,0,2]=3 5403 B12R0.248 CC/C=C\CCSCCC(=O)NC 62a_100000737683_100015370543 [0,1,0,0,0,0|1,0,2]=4 5404 B12R0.248 CC/C=C\CCSCCC(=O)NC 62a_100015370543_100000737683 [0,1,0,0,0,0|1,0,2]=4 5405 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100000204255_100015370543 [0,1,0,0,0,0|0,0,2]=3 5406 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100015370543_100000204255 [0,1,0,0,0,0|0,0,2]=3 5407 B12R0.248 CC/C=C\CCSCOC(=O)OC 62a_100015370543_100000139417 [0,1,0,0,0,0|1,0,2]=4 5408 B12R0.248 CC/C=C\CNCCCC(=O)NC 2230a_100000740002_100103147603 [0,1,0,0,0,0|1,0,2]=4 5409 B12R0.248 CC/C=C\CNCCCC(=O)NC 34a_100000740002_100103147603 [0,1,0,0,0,0|1,0,2]=4 5410 B12R0.248 CC/C=C\COCCCC(=O)NC 34a_100016268518_100000741757 [0,1,0,0,0,0|1,0,2]=4 5411 B12R0.248 CC/C=C\COCCCC(=O)OC 34a_100016268518_100000742333 [0,1,0,0,0,0|0,0,2]=3 5412 B12R0.248 CC/C=C\COCCNC(=O)OC 34a_100000757965_100103147603 [0,1,0,0,0,0|1,0,2]=4 5413 B12R0.248 CC/C=C\COCCOC(=O)OC 34a_100010262106_100103147603 [0,1,0,0,0,0|1,0,2]=4 5414 B12R0.248 CC/C=C\CSCCCC(=O)NC 62a_100000741757_100103147603 [0,1,0,0,0,0|1,0,2]=4 5415 B12R0.248 CC/C=C\CSCCCC(=O)NC 62a_100103147603_100000741757 [0,1,0,0,0,0|1,0,2]=4 5416 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100011218270_100103147603 [0,1,0,0,0,0|0,0,2]=3 5417 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100103147603_100011218270 [0,1,0,0,0,0|0,0,2]=3 5418 B12R0.248 CC=C=CCCOCCC(=O)OC 34a_100011020354_100000742370 [0,1,0,0,0,0|0,0,3]=4 5419 B12R0.248 CC=CCCCOCCC(=O)NC 34a_100020645299_100012179268 [0,1,0,0,0,0|1,0,2]=4 5420 B12R0.248 CC=CCCCOCCC(=O)OC 34a_100020645299_100000742370 [0,1,0,0,0,0|0,0,2]=3 5421 B12R0.248 CC=CCOCCCCC(=O)OC 34a_100000059025_100000070051 [0,1,0,0,0,0|0,0,2]=3 5422 B12R0.248 CC=CCOCCCCC(=O)OC 7a_100000059025_100000070051 [0,1,0,0,0,0|0,0,2]=3 5423 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000070051_100000204269 [0,1,0,0,0,0|0,0,2]=3 5424 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000204269_100000070051 [0,1,0,0,0,0|0,0,2]=3 5425 B12R0.248 CC=CCSCCOCC(=O)OC 62a_100000070051_100000090808 [0,1,0,0,0,0|1,0,2]=4 5426 B12R0.248 CC=CCSCCOCC(=O)OC 62a_100000090808_100000070051 [0,1,0,0,0,0|1,0,2]=4 5427 B12R0.248 CCC#CCCOCCC(=O)NC 34a_100000036655_100012179268 [0,1,0,0,0,0|1,0,2]=4 5428 B12R0.248 CCC#CCCOCCC(=O)NC 7a_100000036655_100000737683 [0,1,0,0,0,0|1,0,2]=4 5429 B12R0.248 CCC#CCCOCCC(=O)OC 34a_100000036655_100000742370 [0,1,0,0,0,0|0,0,2]=3 5430 B12R0.248 CCC#CCCOCCC(=O)OC 7a_100000036655_100000204255 [0,1,0,0,0,0|0,0,2]=3 5431 B12R0.248 CCC#CCNCCCC(=O)NC 2230a_100000740002_100009813939 [0,1,0,0,0,0|1,0,2]=4 5432 B12R0.248 CCC#CCNCCCC(=O)NC 34a_100000740002_100009813939 [0,1,0,0,0,0|1,0,2]=4 5433 B12R0.248 CCC#CCOCCCC(=O)NC 34a_100000032950_100000741757 [0,1,0,0,0,0|1,0,2]=4 5434 B12R0.248 CCC#CCOCCCC(=O)OC 34a_100000032950_100000742333 [0,1,0,0,0,0|0,0,2]=3 5435 B12R0.248 CCC#CCOCCNC(=O)OC 34a_100000757965_100009813939 [0,1,0,0,0,0|1,0,2]=4 5436 B12R0.248 CCC#CCOCCOC(=O)OC 34a_100010262106_100009813939 [0,1,0,0,0,0|1,0,2]=4 5437 B12R0.248 CCC#CCSCCCC(=O)NC 62a_100000741757_100009813939 [0,1,0,0,0,0|1,0,2]=4 5438 B12R0.248 CCC#CCSCCCC(=O)NC 62a_100009813939_100000741757 [0,1,0,0,0,0|1,0,2]=4 5439 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100009813939_100011218270 [0,1,0,0,0,0|0,0,2]=3 5440 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100011218270_100009813939 [0,1,0,0,0,0|0,0,2]=3 5441 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,1,0,0,0,0|1,0,0]=2 5442 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100000210414_100000032323 [0,1,0,0,0,0|3,0,0]=4 5443 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100009915118_100000210202 [0,1,0,0,0,0|3,0,0]=4 5444 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,1,0,0,0,0|2,0,0]=3 5445 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,1,0,0,0,0|2,0,0]=3 5446 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,1,0,0,0,0|2,0,0]=3 5447 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,1,0,0,0,0|2,0,0]=3 5448 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,1,0,0,0,0|2,0,0]=3 5449 B12R0.248 CCC(=O)COCCOCCOC 1458a_100011214951_100000210202 [0,1,0,0,0,0|3,0,0]=4 5450 B12R0.248 CCC(=O)COCCOCCOC 34a_100000725409_100000695917 [0,1,0,0,0,0|3,0,0]=4 5451 B12R0.248 CCC(=O)COCCOCCOC 7a_100011215163_100000747405 [0,1,0,0,0,0|3,0,0]=4 5452 B12R0.248 CCC(=O)CSCCCCCC#N 62a_100000747405_100009813376 [0,1,0,0,0,0|2,0,1]=4 5453 B12R0.248 CCC(=O)CSCCCCCC#N 62a_100009813376_100000747405 [0,1,0,0,0,0|2,0,1]=4 5454 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [0,1,0,0,0,0|2,0,1]=4 5455 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [0,1,0,0,0,0|2,0,1]=4 5456 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,1,0,0,0,0|2,0,0]=3 5457 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,1,0,0,0,0|2,0,0]=3 5458 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,1,0,0,0,0|2,0,0]=3 5459 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,1,0,0,0,0|2,0,0]=3 5460 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000695917_100000747405 [0,1,0,0,0,0|3,0,0]=4 5461 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000747405_100000695917 [0,1,0,0,0,0|3,0,0]=4 5462 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,1,0,0,0,0|2,0,0]=3 5463 B12R0.248 CCC(=O)NCCCOCCCO 240690a_100011310245_100000210414 [0,1,0,0,0,0|3,0,0]=4 5464 B12R0.248 CCC(=O)NCCCOCCOC 1626a_100000206027_100000210414 [0,1,0,0,0,0|3,0,0]=4 5465 B12R0.248 CCC(=O)NCCCOCCOC 240690a_100000206027_100000210414 [0,1,0,0,0,0|3,0,0]=4 5466 B12R0.248 CCC(=O)NCCNCCCCF 34a_100132302217_100000729493 [0,1,0,0,0,0|3,0,0]=4 5467 B12R0.248 CCC(=O)NCCNCCCCO 34a_100132302217_100011216708 [0,1,0,0,0,0|3,0,0]=4 5468 B12R0.248 CCC(=O)NCCNCCCOC 34a_100132302217_100000740836 [0,1,0,0,0,0|3,0,0]=4 5469 B12R0.248 CCC(=O)NCCOCCCCF 34a_200000158885_100000729493 [0,1,0,0,0,0|3,0,0]=4 5470 B12R0.248 CCC(=O)NCCOCCCCF 7a_200000158885_100000729493 [0,1,0,0,0,0|3,0,0]=4 5471 B12R0.248 CCC(=O)NCCOCCCCO 34a_200000158885_100011216708 [0,1,0,0,0,0|3,0,0]=4 5472 B12R0.248 CCC(=O)NCCOCCCCO 7a_200000158885_100000210776 [0,1,0,0,0,0|3,0,0]=4 5473 B12R0.248 CCC(=O)NCCOCCCOC 34a_200000158885_100000740836 [0,1,0,0,0,0|3,0,0]=4 5474 B12R0.248 CCC(=O)NCCOCCCOC 7a_200000158885_100000740836 [0,1,0,0,0,0|3,0,0]=4 5475 B12R0.248 CCC(=O)OCCOCCCCF 7a_200000031056_100000729493 [0,1,0,0,0,0|3,0,0]=4 5476 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [0,1,0,0,0,0|3,0,0]=4 5477 B12R0.248 CCC(=O)OCCOCCCOC 7a_200000031056_100000740836 [0,1,0,0,0,0|3,0,0]=4 5478 B12R0.248 CCC/C=C/COCCC(=O)NC 34a_100016278788_100012179268 [0,1,0,0,0,0|1,0,2]=4 5479 B12R0.248 CCC/C=C/COCCC(=O)NC 7a_100016278788_100000737683 [0,1,0,0,0,0|1,0,2]=4 5480 B12R0.248 CCC/C=C/COCCC(=O)OC 34a_100016278788_100000742370 [0,1,0,0,0,0|0,0,2]=3 5481 B12R0.248 CCC/C=C/COCCC(=O)OC 7a_100016278788_100000204255 [0,1,0,0,0,0|0,0,2]=3 5482 B12R0.248 CCCC#CCCOCC(=O)CC 7a_100000042726_100000747405 [0,1,0,0,0,0|1,0,2]=4 5483 B12R0.248 CCCC#CCCOCC(=O)NC 34a_100000042726_100000183359 [0,1,0,0,0,0|1,0,2]=4 5484 B12R0.248 CCCC#CCCOCC(=O)NC 7a_100000042726_100000183359 [0,1,0,0,0,0|1,0,2]=4 5485 B12R0.248 CCCC#CCCOCC(=O)OC 34a_100000042726_100000747449 [0,1,0,0,0,0|0,0,2]=3 5486 B12R0.248 CCCC#CCCOCC(=O)OC 7a_100000042726_100000747449 [0,1,0,0,0,0|0,0,2]=3 5487 B12R0.248 CCCC#CCOCCC(=O)NC 34a_100000034806_100012179268 [0,1,0,0,0,0|1,0,2]=4 5488 B12R0.248 CCCC#CCOCCC(=O)NC 7a_100000034806_100000737683 [0,1,0,0,0,0|1,0,2]=4 5489 B12R0.248 CCCC#CCOCCC(=O)OC 34a_100000034806_100000742370 [0,1,0,0,0,0|0,0,2]=3 5490 B12R0.248 CCCC#CCOCCC(=O)OC 7a_100000034806_100000204255 [0,1,0,0,0,0|0,0,2]=3 5491 B12R0.248 CCCC/C=C/COCC(=O)CC 7a_200016272032_100000747405 [0,1,0,0,0,0|1,0,2]=4 5492 B12R0.248 CCCC/C=C/COCC(=O)NC 34a_200016272032_100000183359 [0,1,0,0,0,0|1,0,2]=4 5493 B12R0.248 CCCC/C=C/COCC(=O)NC 7a_200016272032_100000183359 [0,1,0,0,0,0|1,0,2]=4 5494 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [0,1,0,0,0,0|0,0,2]=3 5495 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [0,1,0,0,0,0|0,0,2]=3 5496 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,1,0,0,0,0|1,0,1]=3 5497 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,1,0,0,0,0|2,0,1]=4 5498 B12R0.248 CCCCC#CCOCC(=O)CC 7a_200000034558_100000747405 [0,1,0,0,0,0|1,0,2]=4 5499 B12R0.248 CCCCC#CCOCC(=O)NC 34a_200000034558_100000183359 [0,1,0,0,0,0|1,0,2]=4 5500 B12R0.248 CCCCC#CCOCC(=O)NC 7a_200000034558_100000183359 [0,1,0,0,0,0|1,0,2]=4 5501 B12R0.248 CCCCC#CCOCC(=O)OC 34a_200000034558_100000747449 [0,1,0,0,0,0|0,0,2]=3 5502 B12R0.248 CCCCC#CCOCC(=O)OC 7a_200000034558_100000747449 [0,1,0,0,0,0|0,0,2]=3 5503 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,1,0,0,0,0|1,0,1]=3 5504 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,1,0,0,0,0|2,0,1]=4 5505 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,1,0,0,0,0|1,0,1]=3 5506 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,1,0,0,0,0|1,0,1]=3 5507 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,1,0,0,0,0|1,0,1]=3 5508 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,1,0,0,0,0|1,0,1]=3 5509 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,1,0,0,0,0|1,0,1]=3 5510 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,1,0,0,0,0|2,0,1]=4 5511 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,1,0,0,0,0|1,0,1]=3 5512 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,1,0,0,0,0|1,0,1]=3 5513 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,1,0,0,0,0|1,0,1]=3 5514 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [0,1,0,0,0,0|2,0,1]=4 5515 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,1,0,0,0,0|1,0,1]=3 5516 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,1,0,0,0,0|2,0,1]=4 5517 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,1,0,0,0,0|1,0,1]=3 5518 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,1,0,0,0,0|1,0,1]=3 5519 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,1,0,0,0,0|1,0,1]=3 5520 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,1,0,0,0,0|1,0,0]=2 5521 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,1,0,0,0,0|1,0,0]=2 5522 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,1,0,0,0,0|2,0,0]=3 5523 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,1,0,0,0,0|2,0,0]=3 5524 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,1,0,0,0,0|1,0,0]=2 5525 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,1,0,0,0,0|1,0,0]=2 5526 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,1,0,0,0,0|1,0,0]=2 5527 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,1,0,0,0,0|1,0,0]=2 5528 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [0,1,0,0,0,0|2,0,1]=4 5529 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,1,0,0,0,0|1,0,1]=3 5530 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,1,0,0,0,0|1,0,1]=3 5531 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,1,0,0,0,0|1,0,1]=3 5532 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,1,0,0,0,0|1,0,1]=3 5533 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,1,0,0,0,0|3,0,0]=4 5534 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,1,0,0,0,0|3,0,0]=4 5535 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,1,0,0,0,0|3,0,0]=4 5536 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,1,0,0,0,0|3,0,0]=4 5537 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,1,0,0,0,0|1,0,0]=2 5538 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,1,0,0,0,0|1,0,0]=2 5539 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,1,0,0,0,0|1,0,0]=2 5540 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,1,0,0,0,0|1,0,0]=2 5541 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,1,0,0,0,0|2,0,0]=3 5542 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,1,0,0,0,0|2,0,0]=3 5543 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,1,0,0,0,0|1,0,0]=2 5544 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,1,0,0,0,0|1,0,0]=2 5545 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,1,0,0,0,0|1,0,0]=2 5546 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,1,0,0,0,0|1,0,0]=2 5547 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,1,0,0,0,0|1,0,0]=2 5548 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,1,0,0,0,0|1,0,0]=2 5549 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [0,1,0,0,0,0|2,0,1]=4 5550 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [0,1,0,0,0,0|2,0,1]=4 5551 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [0,1,0,0,0,0|2,0,1]=4 5552 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,1,0,0,0,0|2,0,1]=4 5553 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,1,0,0,0,0|2,0,1]=4 5554 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,1,0,0,0,0|2,0,1]=4 5555 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [0,1,0,0,0,0|2,0,1]=4 5556 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [0,1,0,0,0,0|2,0,1]=4 5557 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [0,1,0,0,0,0|1,0,1]=3 5558 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [0,1,0,0,0,0|1,0,1]=3 5559 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,1,0,0,0,0|1,0,0]=2 5560 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,1,0,0,0,0|1,0,0]=2 5561 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,1,0,0,0,0|0,0,0]=1 5562 B12R0.248 CCCCCCCNCC(C)CC 2230a_100000229938_100000748023 [0,1,0,0,0,0|2,0,1]=4 5563 B12R0.248 CCCCCCCNCC(C)CC 2230a_100020588543_100000210681 [0,1,0,0,0,0|2,0,1]=4 5564 B12R0.248 CCCCCCCNCC(C)CC 270004a_100000229938_100000243153 [0,1,0,0,0,0|2,0,1]=4 5565 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [0,1,0,0,0,0|1,0,2]=4 5566 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [0,1,0,0,0,0|1,0,2]=4 5567 B12R0.248 CCCCCCCNC[C@@H](C)CC 2230a_100000229938_100009816398 [0,1,0,0,0,0|2,0,1]=4 5568 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [0,1,0,0,0,0|1,0,1]=3 5569 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,1,0,0,0,0|1,0,0]=2 5570 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,1,0,0,0,0|1,0,0]=2 5571 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,1,0,0,0,0|1,0,0]=2 5572 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,1,0,0,0,0|1,0,0]=2 5573 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,1,0,0,0,0|1,0,0]=2 5574 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,1,0,0,0,0|0,0,0]=1 5575 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,1,0,0,0,0|0,0,0]=1 5576 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [0,1,0,0,0,0|2,0,1]=4 5577 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [0,1,0,0,0,0|2,0,1]=4 5578 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,1,0,0,0,0|1,0,1]=3 5579 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,1,0,0,0,0|1,0,2]=4 5580 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,1,0,0,0,0|1,0,2]=4 5581 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [0,1,0,0,0,0|2,0,1]=4 5582 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [0,1,0,0,0,0|2,0,1]=4 5583 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [0,1,0,0,0,0|2,0,1]=4 5584 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,1,0,0,0,0|1,0,0]=2 5585 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,1,0,0,0,0|1,0,0]=2 5586 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,1,0,0,0,0|1,0,0]=2 5587 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,1,0,0,0,0|1,0,0]=2 5588 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,1,0,0,0,0|0,0,0]=1 5589 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,1,0,0,0,0|0,0,0]=1 5590 B12R0.248 CCCCCCCSCC(C)CC 62a_100000210614_100000748023 [0,1,0,0,0,0|2,0,1]=4 5591 B12R0.248 CCCCCCCSCC(C)CC 62a_100000748023_100000210316 [0,1,0,0,0,0|2,0,1]=4 5592 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [0,1,0,0,0,0|1,0,2]=4 5593 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [0,1,0,0,0,0|1,0,2]=4 5594 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100000210614_100009816398 [0,1,0,0,0,0|2,0,1]=4 5595 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210316 [0,1,0,0,0,0|2,0,1]=4 5596 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,1,0,0,0,0|1,0,0]=2 5597 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,1,0,0,0,0|1,0,0]=2 5598 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,1,0,0,0,0|1,0,0]=2 5599 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,1,0,0,0,0|0,0,0]=1 5600 B12R0.248 CCCCCCNCCC(C)CC 2230a_100020591266_100000210314 [0,1,0,0,0,0|2,0,1]=4 5601 B12R0.248 CCCCCCOCCC(=NO)N 34a_100000749954_100000210314 [0,1,0,0,0,0|3,0,0]=4 5602 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,1,0,0,0,0|1,0,0]=2 5603 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,1,0,0,0,0|1,0,0]=2 5604 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,1,0,0,0,0|1,0,0]=2 5605 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,1,0,0,0,0|0,0,0]=1 5606 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,1,0,0,0,0|0,0,0]=1 5607 B12R0.248 CCCCCCOCCC(C)CC 7a_100011215188_100000210314 [0,1,0,0,0,0|2,0,1]=4 5608 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [0,1,0,0,0,0|1,0,1]=3 5609 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,1,0,0,0,0|1,0,0]=2 5610 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,1,0,0,0,0|1,0,0]=2 5611 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,1,0,0,0,0|0,0,0]=1 5612 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,1,0,0,0,0|0,0,0]=1 5613 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,1,0,0,0,0|1,0,0]=2 5614 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,1,0,0,0,0|0,0,2]=3 5615 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,1,0,0,0,0|1,0,0]=2 5616 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,1,0,0,0,0|1,0,0]=2 5617 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,1,0,0,0,0|1,0,0]=2 5618 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,1,0,0,0,0|0,0,0]=1 5619 B12R0.248 CCCCCNCCCN(C)CC 2230a_100000209983_100015186262 [0,1,0,0,0,0|3,0,0]=4 5620 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,1,0,0,0,0|2,0,0]=3 5621 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,1,0,0,0,0|2,0,0]=3 5622 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [0,1,0,0,0,0|1,0,1]=3 5623 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,1,0,0,0,0|0,0,2]=3 5624 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,1,0,0,0,0|0,0,2]=3 5625 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,1,0,0,0,0|1,0,0]=2 5626 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,1,0,0,0,0|1,0,0]=2 5627 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,1,0,0,0,0|2,0,0]=3 5628 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,1,0,0,0,0|0,0,0]=1 5629 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,1,0,0,0,0|0,0,0]=1 5630 B12R0.248 CCCCCOCCCC(C)CC 7a_100011216074_100000210326 [0,1,0,0,0,0|2,0,1]=4 5631 B12R0.248 CCCCCOCCCN(C)CC 7a_100000210253_100015186262 [0,1,0,0,0,0|3,0,0]=4 5632 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,1,0,0,0,0|2,0,0]=3 5633 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,1,0,0,0,0|2,0,0]=3 5634 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,1,0,0,0,0|1,0,0]=2 5635 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,1,0,0,0,0|2,0,0]=3 5636 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,1,0,0,0,0|2,0,0]=3 5637 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,1,0,0,0,0|2,0,0]=3 5638 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,1,0,0,0,0|1,0,0]=2 5639 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,1,0,0,0,0|0,0,2]=3 5640 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,1,0,0,0,0|0,0,2]=3 5641 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,1,0,0,0,0|1,0,0]=2 5642 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,1,0,0,0,0|1,0,0]=2 5643 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,1,0,0,0,0|0,0,0]=1 5644 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,1,0,0,0,0|0,0,0]=1 5645 B12R0.248 CCCCCSCCCN(C)CC 62a_100000210326_100015186262 [0,1,0,0,0,0|3,0,0]=4 5646 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,1,0,0,0,0|2,0,0]=3 5647 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,1,0,0,0,0|2,0,0]=3 5648 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,1,0,0,0,0|0,0,0]=1 5649 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,1,0,0,0,0|0,0,0]=1 5650 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,1,0,0,0,0|1,0,0]=2 5651 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,1,0,0,0,0|1,0,0]=2 5652 B12R0.248 CCCCNN=CCCC(=O)OC 4a_100025702795_100012047195 [0,1,0,0,0,0|1,0,1]=3 5653 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,1,0,0,0,0|0,0,0]=1 5654 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,1,0,0,0,0|0,0,0]=1 5655 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,1,0,0,0,0|0,0,0]=1 5656 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,1,0,0,0,0|0,0,0]=1 5657 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,1,0,0,0,0|2,0,0]=3 5658 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,1,0,0,0,0|2,0,0]=3 5659 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,1,0,0,0,0|2,0,0]=3 5660 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,1,0,0,0,0|3,0,0]=4 5661 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,1,0,0,0,0|3,0,0]=4 5662 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,1,0,0,0,0|2,0,0]=3 5663 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,1,0,0,0,0|2,0,0]=3 5664 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,1,0,0,0,0|2,0,0]=3 5665 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,1,0,0,0,0|2,0,0]=3 5666 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,1,0,0,0,0|2,0,0]=3 5667 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,1,0,0,0,0|2,0,0]=3 5668 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,1,0,0,0,0|2,0,0]=3 5669 B12R0.248 CCCCOCCNC[C@@H](C)OC 2230a_100020591295_100000743108 [0,1,0,0,0,0|2,0,1]=4 5670 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,1,0,0,0,0|2,0,0]=3 5671 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,1,0,0,0,0|2,0,0]=3 5672 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,1,0,0,0,0|2,0,0]=3 5673 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [0,1,0,0,0,0|3,0,0]=4 5674 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,1,0,0,0,0|2,0,0]=3 5675 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,1,0,0,0,0|2,0,0]=3 5676 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,1,0,0,0,0|2,0,0]=3 5677 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,1,0,0,0,0|2,0,0]=3 5678 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,1,0,0,0,0|2,0,0]=3 5679 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,1,0,0,0,0|2,0,0]=3 5680 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,1,0,0,0,0|2,0,0]=3 5681 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,1,0,0,0,0|1,0,0]=2 5682 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,1,0,0,0,0|1,0,0]=2 5683 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,1,0,0,0,0|1,0,0]=2 5684 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,1,0,0,0,0|1,0,0]=2 5685 B12R0.248 CCCCOCCOCC(C)OC 34a_100000690652_100000743108 [0,1,0,0,0,0|2,0,1]=4 5686 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,1,0,0,0,0|2,0,0]=3 5687 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,1,0,0,0,0|2,0,0]=3 5688 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,1,0,0,0,0|2,0,0]=3 5689 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,1,0,0,0,0|2,0,0]=3 5690 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,1,0,0,0,0|1,0,0]=2 5691 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,1,0,0,0,0|1,0,0]=2 5692 B12R0.248 CCCCOCNCCC(=O)NC 2230a_100000738227_100011995733 [0,1,0,0,0,0|2,0,0]=3 5693 B12R0.248 CCCCOCNCCC(=O)NC 34a_100000738227_100011995733 [0,1,0,0,0,0|2,0,0]=3 5694 B12R0.248 CCCCOCOCCC(=O)NC 34a_100000754576_100011995733 [0,1,0,0,0,0|2,0,0]=3 5695 B12R0.248 CCCCOCSCCC(=O)NC 62a_100000737683_100011995733 [0,1,0,0,0,0|2,0,0]=3 5696 B12R0.248 CCCCOCSCCC(=O)NC 62a_100011995733_100000737683 [0,1,0,0,0,0|2,0,0]=3 5697 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,1,0,0,0,0|1,0,0]=2 5698 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,1,0,0,0,0|1,0,0]=2 5699 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [0,1,0,0,0,0|2,0,0]=3 5700 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,1,0,0,0,0|0,0,0]=1 5701 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,1,0,0,0,0|0,0,0]=1 5702 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [0,1,0,0,0,0|2,0,0]=3 5703 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,1,0,0,0,0|1,0,0]=2 5704 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,1,0,0,0,0|2,0,0]=3 5705 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [0,1,0,0,0,0|2,0,0]=3 5706 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [0,1,0,0,0,0|2,0,0]=3 5707 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,1,0,0,0,0|1,0,0]=2 5708 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,1,0,0,0,0|1,0,0]=2 5709 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,1,0,0,0,0|1,0,0]=2 5710 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,1,0,0,0,0|1,0,0]=2 5711 B12R0.248 CCCNN=CCCCC(=O)OC 4a_100000740057_100000094087 [0,1,0,0,0,0|1,0,1]=3 5712 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,1,0,0,0,0|0,0,0]=1 5713 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,1,0,0,0,0|0,0,0]=1 5714 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,1,0,0,0,0|0,0,0]=1 5715 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [0,1,0,0,0,0|2,0,1]=4 5716 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [0,1,0,0,0,0|2,0,0]=3 5717 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [0,1,0,0,0,0|2,0,0]=3 5718 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,1,0,0,0,0|1,0,0]=2 5719 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,1,0,0,0,0|1,0,0]=2 5720 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100000738227_100011215938 [0,1,0,0,0,0|2,0,0]=3 5721 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100161115042_100000737683 [0,1,0,0,0,0|2,0,0]=3 5722 B12R0.248 CCCOCCNCCC(=O)NC 34a_100000738227_100011215938 [0,1,0,0,0,0|2,0,0]=3 5723 B12R0.248 CCCOCCNCCC(=O)NC 34a_100161115042_100012179268 [0,1,0,0,0,0|2,0,0]=3 5724 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,1,0,0,0,0|1,0,0]=2 5725 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,1,0,0,0,0|1,0,0]=2 5726 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000752267_100012179268 [0,1,0,0,0,0|2,0,0]=3 5727 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000754576_100011215938 [0,1,0,0,0,0|2,0,0]=3 5728 B12R0.248 CCCOCCOCCC(=O)NC 7a_100000752267_100000737683 [0,1,0,0,0,0|2,0,0]=3 5729 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,1,0,0,0,0|1,0,0]=2 5730 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,1,0,0,0,0|1,0,0]=2 5731 B12R0.248 CCCOCCOCCC(C)OC 7a_100000764861_100011215938 [0,1,0,0,0,0|2,0,1]=4 5732 B12R0.248 CCCOCCSCCC(=O)NC 62a_100000737683_100011215938 [0,1,0,0,0,0|2,0,0]=3 5733 B12R0.248 CCCOCCSCCC(=O)NC 62a_100011215938_100000737683 [0,1,0,0,0,0|2,0,0]=3 5734 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,1,0,0,0,0|1,0,0]=2 5735 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,1,0,0,0,0|1,0,0]=2 5736 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [0,1,0,0,0,0|2,0,0]=3 5737 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,1,0,0,0,0|0,0,0]=1 5738 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,1,0,0,0,0|0,0,0]=1 5739 B12R0.248 CCCSCCNCCC(=O)NC 2230a_100020603323_100000737683 [0,1,0,0,0,0|2,0,0]=3 5740 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,1,0,0,0,0|1,0,0]=2 5741 B12R0.248 CCCSCCOCCC(=O)NC 34a_200000230433_100012179268 [0,1,0,0,0,0|2,0,0]=3 5742 B12R0.248 CCCSCCOCCC(=O)NC 7a_200000230433_100000737683 [0,1,0,0,0,0|2,0,0]=3 5743 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,1,0,0,0,0|1,0,0]=2 5744 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,1,0,0,0,0|1,0,0]=2 5745 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [0,1,0,0,0,0|3,0,0]=4 5746 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [0,1,0,0,0,0|3,0,0]=4 5747 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,1,0,0,0,0|0,0,0]=1 5748 B12R0.248 CCNN=CCCCCC(=O)OC 4a_100000756455_100000052768 [0,1,0,0,0,0|1,0,1]=3 5749 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,1,0,0,0,0|0,0,0]=1 5750 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,1,0,0,0,0|0,0,0]=1 5751 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,1,0,0,0,0|0,0,0]=1 5752 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000210961_100000737683 [0,1,0,0,0,0|2,0,0]=3 5753 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000738227_100012232248 [0,1,0,0,0,0|2,0,0]=3 5754 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000210961_100012179268 [0,1,0,0,0,0|2,0,0]=3 5755 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000738227_100012232248 [0,1,0,0,0,0|2,0,0]=3 5756 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,1,0,0,0,0|1,0,0]=2 5757 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,1,0,0,0,0|1,0,0]=2 5758 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000754576_100012232248 [0,1,0,0,0,0|2,0,0]=3 5759 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000757476_100012179268 [0,1,0,0,0,0|2,0,0]=3 5760 B12R0.248 CCOCCCOCCC(=O)NC 7a_100000757476_100000737683 [0,1,0,0,0,0|2,0,0]=3 5761 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,1,0,0,0,0|1,0,0]=2 5762 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,1,0,0,0,0|1,0,0]=2 5763 B12R0.248 CCOCCCOCCC(C)OC 7a_100000764861_100012232248 [0,1,0,0,0,0|2,0,1]=4 5764 B12R0.248 CCOCCCSCCC(=O)NC 62a_100000737683_100012232248 [0,1,0,0,0,0|2,0,0]=3 5765 B12R0.248 CCOCCCSCCC(=O)NC 62a_100012232248_100000737683 [0,1,0,0,0,0|2,0,0]=3 5766 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,1,0,0,0,0|1,0,0]=2 5767 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,1,0,0,0,0|1,0,0]=2 5768 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [0,1,0,0,0,0|2,0,0]=3 5769 B12R0.248 CCOCCNC/C=C/C(=O)OC 2230a_102516460346_100000742655 [0,1,0,0,0,0|1,0,2]=4 5770 B12R0.248 CCOCCNC/C=C/C(=O)OC 34a_102516460346_100000742655 [0,1,0,0,0,0|1,0,2]=4 5771 B12R0.248 CCOCCNCCCC(=O)NC 2230a_100000740002_100011215890 [0,1,0,0,0,0|2,0,0]=3 5772 B12R0.248 CCOCCNCCCC(=O)NC 2230a_102516460346_100000741757 [0,1,0,0,0,0|2,0,0]=3 5773 B12R0.248 CCOCCNCCCC(=O)NC 34a_100000740002_100000210147 [0,1,0,0,0,0|2,0,0]=3 5774 B12R0.248 CCOCCNCCCC(=O)NC 34a_102516460346_100000741757 [0,1,0,0,0,0|2,0,0]=3 5775 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,1,0,0,0,0|1,0,0]=2 5776 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,1,0,0,0,0|1,0,0]=2 5777 B12R0.248 CCOCCNCCNC(=O)CC 34a_100132302217_100000210147 [0,1,0,0,0,0|3,0,0]=4 5778 B12R0.248 CCOCCNCCNC(=O)NC 34a_100015205895_100000210147 [0,1,0,0,0,0|3,0,0]=4 5779 B12R0.248 CCOCCNCCOC(=O)NC 34a_102516460346_200011997002 [0,1,0,0,0,0|3,0,0]=4 5780 B12R0.248 CCOCCNN=CCC(=O)OC 4a_100000732670_200011552997 [0,1,0,0,0,0|2,0,1]=4 5781 B12R0.248 CCOCCOC/C=C/C(=O)OC 34a_100000210136_100000742655 [0,1,0,0,0,0|1,0,2]=4 5782 B12R0.248 CCOCCOC/C=C/C(=O)OC 7a_100000210136_100000742655 [0,1,0,0,0,0|1,0,2]=4 5783 B12R0.248 CCOCCOCCCC(=O)NC 34a_100000210136_100000741757 [0,1,0,0,0,0|2,0,0]=3 5784 B12R0.248 CCOCCOCCCC(=O)NC 7a_100000210136_100000741757 [0,1,0,0,0,0|2,0,0]=3 5785 B12R0.248 CCOCCOCCCC(=O)NN 34a_100000211488_100000210147 [0,1,0,0,0,0|3,0,0]=4 5786 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,1,0,0,0,0|1,0,0]=2 5787 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,1,0,0,0,0|1,0,0]=2 5788 B12R0.248 CCOCCOCCNC(=O)CC 11a_100102712874_100000210414 [0,1,0,0,0,0|3,0,0]=4 5789 B12R0.248 CCOCCOCCNC(=O)CC 1626a_100102712874_100000210414 [0,1,0,0,0,0|3,0,0]=4 5790 B12R0.248 CCOCCOCCNC(=O)CC 240690a_100102712874_100000210414 [0,1,0,0,0,0|3,0,0]=4 5791 B12R0.248 CCOCCOCCNC(=O)CC 34a_200000158885_100000210147 [0,1,0,0,0,0|3,0,0]=4 5792 B12R0.248 CCOCCOCCNC(=O)CC 527a_100102712874_100000210414 [0,1,0,0,0,0|3,0,0]=4 5793 B12R0.248 CCOCCOCCNC(=O)CC 7a_200000158885_100011215890 [0,1,0,0,0,0|3,0,0]=4 5794 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102657272_100102712874 [0,1,0,0,0,0|3,0,0]=4 5795 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102712874_106832991635 [0,1,0,0,0,0|3,0,0]=4 5796 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102657272_100102712874 [0,1,0,0,0,0|3,0,0]=4 5797 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102712874_100102657272 [0,1,0,0,0,0|3,0,0]=4 5798 B12R0.248 CCOCCOCCNC(=O)NC 512a_100102712874_100102657272 [0,1,0,0,0,0|3,0,0]=4 5799 B12R0.248 CCOCCOCCNC(=O)OC 34a_100000757965_100000210147 [0,1,0,0,0,0|2,0,0]=3 5800 B12R0.248 CCOCCOCCOC(=O)CC 7a_200000031056_100011215890 [0,1,0,0,0,0|3,0,0]=4 5801 B12R0.248 CCOCCOCCOC(=O)NC 34a_100000210136_200011997002 [0,1,0,0,0,0|3,0,0]=4 5802 B12R0.248 CCOCCOCCOC(=O)NC 7a_100000210136_200011997002 [0,1,0,0,0,0|3,0,0]=4 5803 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [0,1,0,0,0,0|2,0,0]=3 5804 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000210147_100000742655 [0,1,0,0,0,0|1,0,2]=4 5805 B12R0.248 CCOCCSC/C=C/C(=O)OC 62a_100000742655_100011215890 [0,1,0,0,0,0|1,0,2]=4 5806 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000210147_100000741757 [0,1,0,0,0,0|2,0,0]=3 5807 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000741757_100011215890 [0,1,0,0,0,0|2,0,0]=3 5808 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,1,0,0,0,0|1,0,0]=2 5809 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,1,0,0,0,0|1,0,0]=2 5810 B12R0.248 CCOCCSCCOC(=O)NC 62a_100000210147_200011997002 [0,1,0,0,0,0|3,0,0]=4 5811 B12R0.248 CCOCCSCCOC(=O)NC 62a_200011997002_100011215890 [0,1,0,0,0,0|3,0,0]=4 5812 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,1,0,0,0,0|1,0,0]=2 5813 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,1,0,0,0,0|1,0,0]=2 5814 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000090808_100000739092 [0,1,0,0,0,0|2,0,0]=3 5815 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000739092_100000090808 [0,1,0,0,0,0|2,0,0]=3 5816 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,1,0,0,0,0|0,0,0]=1 5817 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,1,0,0,0,0|0,0,0]=1 5818 B12R0.248 CCSCCCOCCC(=O)NC 34a_100011216438_100012179268 [0,1,0,0,0,0|2,0,0]=3 5819 B12R0.248 CCSCCCOCCC(=O)NC 7a_100011216438_100000737683 [0,1,0,0,0,0|2,0,0]=3 5820 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,1,0,0,0,0|1,0,0]=2 5821 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,1,0,0,0,0|1,0,0]=2 5822 B12R0.248 CCSCCNC/C=C/C(=O)OC 2230a_100000106463_100000742655 [0,1,0,0,0,0|1,0,2]=4 5823 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000106463_100000741757 [0,1,0,0,0,0|2,0,0]=3 5824 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000740002_100000757381 [0,1,0,0,0,0|2,0,0]=3 5825 B12R0.248 CCSCCNCCCC(=O)NC 34a_100000740002_100000757381 [0,1,0,0,0,0|2,0,0]=3 5826 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,1,0,0,0,0|1,0,0]=2 5827 B12R0.248 CCSCCNCCNC(=O)CC 34a_100132302217_100000757381 [0,1,0,0,0,0|3,0,0]=4 5828 B12R0.248 CCSCCNCCNC(=O)NC 34a_100015205895_100000757381 [0,1,0,0,0,0|3,0,0]=4 5829 B12R0.248 CCSCCOC/C=C/C(=O)OC 34a_100000212035_100000742655 [0,1,0,0,0,0|1,0,2]=4 5830 B12R0.248 CCSCCOC/C=C/C(=O)OC 7a_100000212035_100000742655 [0,1,0,0,0,0|1,0,2]=4 5831 B12R0.248 CCSCCOCCCC(=O)NC 34a_100000212035_100000741757 [0,1,0,0,0,0|2,0,0]=3 5832 B12R0.248 CCSCCOCCCC(=O)NC 7a_100000212035_100000741757 [0,1,0,0,0,0|2,0,0]=3 5833 B12R0.248 CCSCCOCCCC(=O)NN 34a_100000211488_100000757381 [0,1,0,0,0,0|3,0,0]=4 5834 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,1,0,0,0,0|1,0,0]=2 5835 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,1,0,0,0,0|1,0,0]=2 5836 B12R0.248 CCSCCOCCNC(=O)CC 34a_200000158885_100000757381 [0,1,0,0,0,0|3,0,0]=4 5837 B12R0.248 CCSCCOCCNC(=O)CC 7a_200000158885_100000757381 [0,1,0,0,0,0|3,0,0]=4 5838 B12R0.248 CCSCCOCCNC(=O)OC 34a_100000757965_100000757381 [0,1,0,0,0,0|2,0,0]=3 5839 B12R0.248 CCSCCOCCOC(=O)CC 7a_200000031056_100000757381 [0,1,0,0,0,0|3,0,0]=4 5840 B12R0.248 CCSCCOCCOC(=O)NC 34a_100000212035_200011997002 [0,1,0,0,0,0|3,0,0]=4 5841 B12R0.248 CCSCCOCCOC(=O)NC 7a_100000212035_200011997002 [0,1,0,0,0,0|3,0,0]=4 5842 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [0,1,0,0,0,0|2,0,0]=3 5843 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000742655_100000757381 [0,1,0,0,0,0|1,0,2]=4 5844 B12R0.248 CCSCCSC/C=C/C(=O)OC 62a_100000757381_100000742655 [0,1,0,0,0,0|1,0,2]=4 5845 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000741757_100000757381 [0,1,0,0,0,0|2,0,0]=3 5846 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000757381_100000741757 [0,1,0,0,0,0|2,0,0]=3 5847 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,1,0,0,0,0|1,0,0]=2 5848 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,1,0,0,0,0|1,0,0]=2 5849 B12R0.248 CCSCCSCCOC(=O)NC 62a_100000757381_200011997002 [0,1,0,0,0,0|3,0,0]=4 5850 B12R0.248 CCSCCSCCOC(=O)NC 62a_200011997002_100000757381 [0,1,0,0,0,0|3,0,0]=4 5851 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,1,0,0,0,0|1,0,0]=2 5852 B12R0.248 CNC(=O)CCCNCCCC#N 2230a_100000740002_100000687738 [0,1,0,0,0,0|2,0,1]=4 5853 B12R0.248 CNC(=O)CCCNCCCC=O 2230a_100000740002_200011292268 [0,1,0,0,0,0|2,0,1]=4 5854 B12R0.248 CNC(=O)CCCNCCCCF 2230a_100000740002_100000729493 [0,1,0,0,0,0|2,0,0]=3 5855 B12R0.248 CNC(=O)CCCNCCCCF 34a_100000740002_100000729493 [0,1,0,0,0,0|2,0,0]=3 5856 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [0,1,0,0,0,0|2,0,0]=3 5857 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [0,1,0,0,0,0|2,0,0]=3 5858 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [0,1,0,0,0,0|2,0,0]=3 5859 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [0,1,0,0,0,0|2,0,0]=3 5860 B12R0.248 CNC(=O)CCCNCCCOC 2230a_100000740002_100000740836 [0,1,0,0,0,0|2,0,0]=3 5861 B12R0.248 CNC(=O)CCCNCCCOC 34a_100000740002_100000740836 [0,1,0,0,0,0|2,0,0]=3 5862 B12R0.248 CNC(=O)CCCNCCCOC 34a_100150723488_100000741757 [0,1,0,0,0,0|2,0,0]=3 5863 B12R0.248 CNC(=O)CCCNCCCSC 2230a_100000749238_100000741757 [0,1,0,0,0,0|2,0,0]=3 5864 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [0,1,0,0,0,0|2,0,0]=3 5865 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [0,1,0,0,0,0|2,0,0]=3 5866 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [0,1,0,0,0,0|2,0,0]=3 5867 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [0,1,0,0,0,0|2,0,0]=3 5868 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [0,1,0,0,0,0|2,0,0]=3 5869 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [0,1,0,0,0,0|2,0,0]=3 5870 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [0,1,0,0,0,0|2,0,0]=3 5871 B12R0.248 CNC(=O)CCCOCCCOC 34a_100000740835_100000741757 [0,1,0,0,0,0|2,0,0]=3 5872 B12R0.248 CNC(=O)CCCOCCCSC 34a_100000690336_100000741757 [0,1,0,0,0,0|2,0,0]=3 5873 B12R0.248 CNC(=O)CCCOCCCSC 7a_100000690336_100000741757 [0,1,0,0,0,0|2,0,0]=3 5874 B12R0.248 CNC(=O)CCCSCCCC#N 62a_100000687738_100000741757 [0,1,0,0,0,0|2,0,1]=4 5875 B12R0.248 CNC(=O)CCCSCCCC#N 62a_100000741757_100000687738 [0,1,0,0,0,0|2,0,1]=4 5876 B12R0.248 CNC(=O)CCCSCCCC=O 62a_100000741757_200011292268 [0,1,0,0,0,0|2,0,1]=4 5877 B12R0.248 CNC(=O)CCCSCCCC=O 62a_200011292268_100000741757 [0,1,0,0,0,0|2,0,1]=4 5878 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000729493_100000741757 [0,1,0,0,0,0|2,0,0]=3 5879 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000741757_100000729493 [0,1,0,0,0,0|2,0,0]=3 5880 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [0,1,0,0,0,0|2,0,0]=3 5881 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [0,1,0,0,0,0|2,0,0]=3 5882 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000709357_100000741757 [0,1,0,0,0,0|2,0,0]=3 5883 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000741757_100000709357 [0,1,0,0,0,0|2,0,0]=3 5884 B12R0.248 CNC(=O)CCNCCCCC#N 2230a_100000738227_100000211819 [0,1,0,0,0,0|2,0,1]=4 5885 B12R0.248 CNC(=O)CCNCCCCC=O 2230a_100000738227_100000139335 [0,1,0,0,0,0|2,0,1]=4 5886 B12R0.248 CNC(=O)CCNCCCCCF 2230a_100000738227_100000729378 [0,1,0,0,0,0|2,0,0]=3 5887 B12R0.248 CNC(=O)CCNCCCCCF 34a_100000738227_100000729378 [0,1,0,0,0,0|2,0,0]=3 5888 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [0,1,0,0,0,0|2,0,0]=3 5889 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [0,1,0,0,0,0|2,0,0]=3 5890 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [0,1,0,0,0,0|2,0,0]=3 5891 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [0,1,0,0,0,0|2,0,0]=3 5892 B12R0.248 CNC(=O)CCNCCCCOC 2230a_100000738227_100000730899 [0,1,0,0,0,0|2,0,0]=3 5893 B12R0.248 CNC(=O)CCNCCCCOC 34a_100000738227_100000755781 [0,1,0,0,0,0|2,0,0]=3 5894 B12R0.248 CNC(=O)CCNCCOCCO 2230a_100000211614_100000737683 [0,1,0,0,0,0|3,0,0]=4 5895 B12R0.248 CNC(=O)CCNCCOCCO 2230a_100000738227_100011215305 [0,1,0,0,0,0|3,0,0]=4 5896 B12R0.248 CNC(=O)CCNCCOCCO 34a_100000211614_100012179268 [0,1,0,0,0,0|3,0,0]=4 5897 B12R0.248 CNC(=O)CCNCCOCCO 34a_100000738227_100000692535 [0,1,0,0,0,0|3,0,0]=4 5898 B12R0.248 CNC(=O)CCNCCSCCO 2230a_100011219999_100000737683 [0,1,0,0,0,0|3,0,0]=4 5899 B12R0.248 CNC(=O)CCNCOCCOC 2230a_100000738227_100000231047 [0,1,0,0,0,0|3,0,0]=4 5900 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [0,1,0,0,0,0|2,0,0]=3 5901 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [0,1,0,0,0,0|2,0,0]=3 5902 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [0,1,0,0,0,0|2,0,0]=3 5903 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [0,1,0,0,0,0|2,0,0]=3 5904 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [0,1,0,0,0,0|2,0,0]=3 5905 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [0,1,0,0,0,0|2,0,0]=3 5906 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [0,1,0,0,0,0|2,0,0]=3 5907 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [0,1,0,0,0,0|2,0,0]=3 5908 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,1,0,0,0,0|2,0,0]=3 5909 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000740925_100012179268 [0,1,0,0,0,0|2,0,0]=3 5910 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000754576_100000755781 [0,1,0,0,0,0|2,0,0]=3 5911 B12R0.248 CNC(=O)CCOCCCCSC 34a_100011217163_100012179268 [0,1,0,0,0,0|2,0,0]=3 5912 B12R0.248 CNC(=O)CCOCCCCSC 7a_100011217163_100000737683 [0,1,0,0,0,0|2,0,0]=3 5913 B12R0.248 CNC(=O)CCOCCOCCBr 34a_100000692535_100012179268 [0,1,0,0,0,0|3,0,0]=4 5914 B12R0.248 CNC(=O)CCOCCOCCBr 7a_100000692535_100000737683 [0,1,0,0,0,0|3,0,0]=4 5915 B12R0.248 CNC(=O)CCOCCOCCCl 34a_100011215305_100012179268 [0,1,0,0,0,0|3,0,0]=4 5916 B12R0.248 CNC(=O)CCOCCOCCCl 7a_100011215305_100000737683 [0,1,0,0,0,0|3,0,0]=4 5917 B12R0.248 CNC(=O)CCOCCOCCF 34a_200015357709_100012179268 [0,1,0,0,0,0|3,0,0]=4 5918 B12R0.248 CNC(=O)CCOCCOCCF 7a_200015357709_100000737683 [0,1,0,0,0,0|3,0,0]=4 5919 B12R0.248 CNC(=O)CCOCCOCCI 34a_100012149058_100012179268 [0,1,0,0,0,0|3,0,0]=4 5920 B12R0.248 CNC(=O)CCOCCOCCI 7a_100012149058_100000737683 [0,1,0,0,0,0|3,0,0]=4 5921 B12R0.248 CNC(=O)CCOCCOCCN 34a_100000211614_100012179268 [0,1,0,0,0,0|3,0,0]=4 5922 B12R0.248 CNC(=O)CCOCCOCCO 1626a_100102657272_100009915118 [0,1,0,0,0,0|3,0,0]=4 5923 B12R0.248 CNC(=O)CCOCCOCCO 240690a_100102657272_100009915118 [0,1,0,0,0,0|3,0,0]=4 5924 B12R0.248 CNC(=O)CCOCCOCCO 34a_100000754576_100000692535 [0,1,0,0,0,0|3,0,0]=4 5925 B12R0.248 CNC(=O)CCSCCCCC#N 62a_100000737683_100000211819 [0,1,0,0,0,0|2,0,1]=4 5926 B12R0.248 CNC(=O)CCSCCCCC#N 62a_100011219923_100000737683 [0,1,0,0,0,0|2,0,1]=4 5927 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000139335_100000737683 [0,1,0,0,0,0|2,0,1]=4 5928 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000737683_100000139335 [0,1,0,0,0,0|2,0,1]=4 5929 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000729378_100000737683 [0,1,0,0,0,0|2,0,0]=3 5930 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000737683_100000729378 [0,1,0,0,0,0|2,0,0]=3 5931 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [0,1,0,0,0,0|2,0,0]=3 5932 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [0,1,0,0,0,0|2,0,0]=3 5933 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000730899_100000737683 [0,1,0,0,0,0|2,0,0]=3 5934 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000737683_100000730899 [0,1,0,0,0,0|2,0,0]=3 5935 B12R0.248 CNC(=O)CCSCCOCCO 62a_100000737683_100011215305 [0,1,0,0,0,0|3,0,0]=4 5936 B12R0.248 CNC(=O)CCSCCOCCO 62a_100011215305_100000737683 [0,1,0,0,0,0|3,0,0]=4 5937 B12R0.248 CNC(=O)CCSCOCCOC 62a_100000231047_100000737683 [0,1,0,0,0,0|3,0,0]=4 5938 B12R0.248 CNC(=O)CCSCOCCOC 62a_100000737683_100000231047 [0,1,0,0,0,0|3,0,0]=4 5939 B12R0.248 CNC(=O)CNCCCCCC#N 2230a_100000693194_100009813376 [0,1,0,0,0,0|2,0,1]=4 5940 B12R0.248 CNC(=O)CNCCCCCC=O 2230a_100000693194_100000139337 [0,1,0,0,0,0|2,0,1]=4 5941 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [0,1,0,0,0,0|2,0,0]=3 5942 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,1,0,0,0,0|2,0,0]=3 5943 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,1,0,0,0,0|2,0,0]=3 5944 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,1,0,0,0,0|2,0,0]=3 5945 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [0,1,0,0,0,0|2,0,0]=3 5946 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [0,1,0,0,0,0|2,0,0]=3 5947 B12R0.248 CNC(=O)CNCCOCCOC 2230a_100000693194_100000695917 [0,1,0,0,0,0|3,0,0]=4 5948 B12R0.248 CNC(=O)CNCCOCCOC 2230a_100000745349_100000183359 [0,1,0,0,0,0|3,0,0]=4 5949 B12R0.248 CNC(=O)CNCCOCCOC 34a_100000745349_100000183359 [0,1,0,0,0,0|3,0,0]=4 5950 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [0,1,0,0,0,0|2,0,0]=3 5951 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [0,1,0,0,0,0|2,0,0]=3 5952 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [0,1,0,0,0,0|2,0,0]=3 5953 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [0,1,0,0,0,0|2,0,0]=3 5954 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [0,1,0,0,0,0|2,0,0]=3 5955 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [0,1,0,0,0,0|2,0,0]=3 5956 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [0,1,0,0,0,0|2,0,0]=3 5957 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,1,0,0,0,0|2,0,0]=3 5958 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,1,0,0,0,0|2,0,0]=3 5959 B12R0.248 CNC(=O)COCCOCCOC 11a_106832991635_100011214951 [0,1,0,0,0,0|3,0,0]=4 5960 B12R0.248 CNC(=O)COCCOCCOC 1626a_100102657272_100011214951 [0,1,0,0,0,0|3,0,0]=4 5961 B12R0.248 CNC(=O)COCCOCCOC 240690a_100102657272_100011214951 [0,1,0,0,0,0|3,0,0]=4 5962 B12R0.248 CNC(=O)COCCOCCOC 34a_100000750040_100000695917 [0,1,0,0,0,0|3,0,0]=4 5963 B12R0.248 CNC(=O)COCCOCCOC 34a_100011215163_100000183359 [0,1,0,0,0,0|3,0,0]=4 5964 B12R0.248 CNC(=O)COCCOCCOC 527a_100102657272_100011214951 [0,1,0,0,0,0|3,0,0]=4 5965 B12R0.248 CNC(=O)COCCOCCOC 7a_100011215163_100000183359 [0,1,0,0,0,0|3,0,0]=4 5966 B12R0.248 CNC(=O)CSCCCCCC#N 62a_100000183359_100009813376 [0,1,0,0,0,0|2,0,1]=4 5967 B12R0.248 CNC(=O)CSCCCCCC#N 62a_100009813376_100000183359 [0,1,0,0,0,0|2,0,1]=4 5968 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000139337_100000183359 [0,1,0,0,0,0|2,0,1]=4 5969 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000183359_100000139337 [0,1,0,0,0,0|2,0,1]=4 5970 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [0,1,0,0,0,0|2,0,0]=3 5971 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [0,1,0,0,0,0|2,0,0]=3 5972 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,1,0,0,0,0|2,0,0]=3 5973 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,1,0,0,0,0|2,0,0]=3 5974 B12R0.248 CNC(=O)CSCCOCCOC 62a_100000183359_100000695917 [0,1,0,0,0,0|3,0,0]=4 5975 B12R0.248 CNC(=O)CSCCOCCOC 62a_100000695917_100000183359 [0,1,0,0,0,0|3,0,0]=4 5976 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,1,0,0,0,0|2,0,0]=3 5977 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,1,0,0,0,0|2,0,0]=3 5978 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,1,0,0,0,0|2,0,0]=3 5979 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,1,0,0,0,0|2,0,0]=3 5980 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,1,0,0,0,0|2,0,0]=3 5981 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,1,0,0,0,0|2,0,0]=3 5982 B12R0.248 CNC(=O)NCCCOCCCO 2708a_100102657272_100011310245 [0,1,0,0,0,0|3,0,0]=4 5983 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100011310245_100102657272 [0,1,0,0,0,0|3,0,0]=4 5984 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100102657272_100011310245 [0,1,0,0,0,0|3,0,0]=4 5985 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100000206027_106832991635 [0,1,0,0,0,0|3,0,0]=4 5986 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100102657272_100000206027 [0,1,0,0,0,0|3,0,0]=4 5987 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100000206027_100102657272 [0,1,0,0,0,0|3,0,0]=4 5988 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100102657272_100000206027 [0,1,0,0,0,0|3,0,0]=4 5989 B12R0.248 CNC(=O)NCCNCCCCF 34a_100015205895_100000729493 [0,1,0,0,0,0|3,0,0]=4 5990 B12R0.248 CNC(=O)NCCNCCCCO 34a_100015205895_100011216708 [0,1,0,0,0,0|3,0,0]=4 5991 B12R0.248 CNC(=O)NCCNCCCOC 34a_100015205895_100000740836 [0,1,0,0,0,0|3,0,0]=4 5992 B12R0.248 CNC(=O)OCCNCCCCO 34a_100000750430_200011997002 [0,1,0,0,0,0|3,0,0]=4 5993 B12R0.248 CNC(=O)OCCNCCCOC 34a_100150723488_200011997002 [0,1,0,0,0,0|3,0,0]=4 5994 B12R0.248 CNC(=O)OCCOCCCCBr 34a_100011216708_200011997002 [0,1,0,0,0,0|3,0,0]=4 5995 B12R0.248 CNC(=O)OCCOCCCCCl 34a_100000210776_200011997002 [0,1,0,0,0,0|3,0,0]=4 5996 B12R0.248 CNC(=O)OCCOCCCCCl 7a_100000210776_200011997002 [0,1,0,0,0,0|3,0,0]=4 5997 B12R0.248 CNC(=O)OCCOCCCCF 34a_100011995726_200011997002 [0,1,0,0,0,0|3,0,0]=4 5998 B12R0.248 CNC(=O)OCCOCCCCF 7a_100011995726_200011997002 [0,1,0,0,0,0|3,0,0]=4 5999 B12R0.248 CNC(=O)OCCOCCCCI 34a_200012148704_200011997002 [0,1,0,0,0,0|3,0,0]=4 6000 B12R0.248 CNC(=O)OCCOCCCCN 34a_100000750430_200011997002 [0,1,0,0,0,0|3,0,0]=4 6001 B12R0.248 CNC(=O)OCCOCCCOC 34a_100000740835_200011997002 [0,1,0,0,0,0|3,0,0]=4 6002 B12R0.248 CNC(=O)OCCOCCCSC 34a_100000690336_200011997002 [0,1,0,0,0,0|3,0,0]=4 6003 B12R0.248 CNC(=O)OCCOCCCSC 7a_100000690336_200011997002 [0,1,0,0,0,0|3,0,0]=4 6004 B12R0.248 CNC(=O)OCCSCCCCF 62a_100000729493_200011997002 [0,1,0,0,0,0|3,0,0]=4 6005 B12R0.248 CNC(=O)OCCSCCCCF 62a_200011997002_100000729493 [0,1,0,0,0,0|3,0,0]=4 6006 B12R0.248 CNC(=O)OCCSCCCCO 62a_100000210776_200011997002 [0,1,0,0,0,0|3,0,0]=4 6007 B12R0.248 CNC(=O)OCCSCCCCO 62a_200011997002_100000210776 [0,1,0,0,0,0|3,0,0]=4 6008 B12R0.248 CNC(=O)OCCSCCCOC 62a_100000709357_200011997002 [0,1,0,0,0,0|3,0,0]=4 6009 B12R0.248 CNC(=O)OCCSCCCOC 62a_200011997002_100000709357 [0,1,0,0,0,0|3,0,0]=4 6010 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,1,0,0,0,0|0,0,0]=1 6011 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,1,0,0,0,0|0,0,0]=1 6012 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,1,0,0,0,0|0,0,0]=1 6013 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [0,1,0,0,0,0|2,0,0]=3 6014 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,1,0,0,0,0|1,0,0]=2 6015 B12R0.248 CNCCCOC/C=C/C(=O)OC 34a_100000213112_100000742655 [0,1,0,0,0,0|1,0,2]=4 6016 B12R0.248 CNCCCOCCCC(=O)NC 34a_100000213112_100000741757 [0,1,0,0,0,0|2,0,0]=3 6017 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,1,0,0,0,0|1,0,0]=2 6018 B12R0.248 CNCCCOCCOC(=O)NC 34a_100000213112_200011997002 [0,1,0,0,0,0|3,0,0]=4 6019 B12R0.248 CNCCOCCOCC(=O)NC 34a_100000228057_100000183359 [0,1,0,0,0,0|3,0,0]=4 6020 B12R0.248 CNCCOCCOCC(=O)OC 34a_100000228057_100000747449 [0,1,0,0,0,0|2,0,0]=3 6021 B12R0.248 COC(=O)/C=C/CNCCCCO 2230a_100000750430_100000742655 [0,1,0,0,0,0|1,0,2]=4 6022 B12R0.248 COC(=O)/C=C/CNCCCCO 34a_100000750430_100000742655 [0,1,0,0,0,0|1,0,2]=4 6023 B12R0.248 COC(=O)/C=C/CNCCCSC 2230a_100000749238_100000742655 [0,1,0,0,0,0|1,0,2]=4 6024 B12R0.248 COC(=O)/C=C/COCCCCBr 34a_100011216708_100000742655 [0,1,0,0,0,0|1,0,2]=4 6025 B12R0.248 COC(=O)/C=C/COCCCCCl 34a_100000210776_100000742655 [0,1,0,0,0,0|1,0,2]=4 6026 B12R0.248 COC(=O)/C=C/COCCCCCl 7a_100000210776_100000742655 [0,1,0,0,0,0|1,0,2]=4 6027 B12R0.248 COC(=O)/C=C/COCCCCF 34a_100011995726_100000742655 [0,1,0,0,0,0|1,0,2]=4 6028 B12R0.248 COC(=O)/C=C/COCCCCF 7a_100011995726_100000742655 [0,1,0,0,0,0|1,0,2]=4 6029 B12R0.248 COC(=O)/C=C/COCCCCI 34a_200012148704_100000742655 [0,1,0,0,0,0|1,0,2]=4 6030 B12R0.248 COC(=O)/C=C/COCCCCN 34a_100000750430_100000742655 [0,1,0,0,0,0|1,0,2]=4 6031 B12R0.248 COC(=O)/C=C/COCCCSC 34a_100000690336_100000742655 [0,1,0,0,0,0|1,0,2]=4 6032 B12R0.248 COC(=O)/C=C/COCCCSC 7a_100000690336_100000742655 [0,1,0,0,0,0|1,0,2]=4 6033 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000729493_100000742655 [0,1,0,0,0,0|1,0,2]=4 6034 B12R0.248 COC(=O)/C=C/CSCCCCF 62a_100000742655_100000729493 [0,1,0,0,0,0|1,0,2]=4 6035 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000210776_100000742655 [0,1,0,0,0,0|1,0,2]=4 6036 B12R0.248 COC(=O)/C=C/CSCCCCO 62a_100000742655_100000210776 [0,1,0,0,0,0|1,0,2]=4 6037 B12R0.248 COC(=O)CCCC=NNCCO 4a_100000210001_100000094087 [0,1,0,0,0,0|2,0,1]=4 6038 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,1,0,0,0,0|0,0,0]=1 6039 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,1,0,0,0,0|0,0,0]=1 6040 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,1,0,0,0,0|0,0,0]=1 6041 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,1,0,0,0,0|0,0,0]=1 6042 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,1,0,0,0,0|0,0,0]=1 6043 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,1,0,0,0,0|0,0,0]=1 6044 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,1,0,0,0,0|1,0,0]=2 6045 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,1,0,0,0,0|1,0,0]=2 6046 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,1,0,0,0,0|1,0,0]=2 6047 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,1,0,0,0,0|1,0,0]=2 6048 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,1,0,0,0,0|1,0,0]=2 6049 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,1,0,0,0,0|1,0,0]=2 6050 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,1,0,0,0,0|1,0,0]=2 6051 B12R0.248 COC(=O)CCCCCOCC#N 7a_100000074720_100011215382 [0,1,0,0,0,0|1,0,1]=3 6052 B12R0.248 COC(=O)CCCCCOCC=O 34a_100000074720_200009817547 [0,1,0,0,0,0|1,0,1]=3 6053 B12R0.248 COC(=O)CCCCCOCC=O 7a_100000074720_200015260668 [0,1,0,0,0,0|1,0,1]=3 6054 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,1,0,0,0,0|1,0,0]=2 6055 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,1,0,0,0,0|1,0,0]=2 6056 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,1,0,0,0,0|1,0,0]=2 6057 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,1,0,0,0,0|1,0,0]=2 6058 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,1,0,0,0,0|1,0,0]=2 6059 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,1,0,0,0,0|1,0,0]=2 6060 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,1,0,0,0,0|1,0,0]=2 6061 B12R0.248 COC(=O)CCCCCSCC#N 62a_100009816466_100011215382 [0,1,0,0,0,0|1,0,1]=3 6062 B12R0.248 COC(=O)CCCCCSCC#N 62a_100011215382_100009816466 [0,1,0,0,0,0|1,0,1]=3 6063 B12R0.248 COC(=O)CCCCCSCC=O 62a_100009816466_200015260668 [0,1,0,0,0,0|1,0,1]=3 6064 B12R0.248 COC(=O)CCCCCSCC=O 62a_200015260668_100009816466 [0,1,0,0,0,0|1,0,1]=3 6065 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,1,0,0,0,0|1,0,0]=2 6066 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,1,0,0,0,0|1,0,0]=2 6067 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,1,0,0,0,0|1,0,0]=2 6068 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,1,0,0,0,0|1,0,0]=2 6069 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,1,0,0,0,0|1,0,0]=2 6070 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,1,0,0,0,0|1,0,0]=2 6071 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,1,0,0,0,0|1,0,0]=2 6072 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,1,0,0,0,0|1,0,0]=2 6073 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,1,0,0,0,0|1,0,0]=2 6074 B12R0.248 COC(=O)CCCCOCCC#N 7a_100000059025_100000184422 [0,1,0,0,0,0|1,0,1]=3 6075 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,1,0,0,0,0|1,0,0]=2 6076 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,1,0,0,0,0|1,0,0]=2 6077 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,1,0,0,0,0|1,0,0]=2 6078 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,1,0,0,0,0|1,0,0]=2 6079 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,1,0,0,0,0|1,0,0]=2 6080 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,1,0,0,0,0|1,0,0]=2 6081 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,1,0,0,0,0|1,0,0]=2 6082 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,1,0,0,0,0|1,0,0]=2 6083 B12R0.248 COC(=O)CCCCOCCON 34a_100000700252_100000204269 [0,1,0,0,0,0|2,0,0]=3 6084 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,1,0,0,0,0|1,0,0]=2 6085 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,1,0,0,0,0|1,0,0]=2 6086 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,1,0,0,0,0|1,0,0]=2 6087 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,1,0,0,0,0|1,0,0]=2 6088 B12R0.248 COC(=O)CCCCSCCC#N 62a_100000204269_100011215226 [0,1,0,0,0,0|1,0,1]=3 6089 B12R0.248 COC(=O)CCCCSCCC#N 62a_100011215226_100000204269 [0,1,0,0,0,0|1,0,1]=3 6090 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,1,0,0,0,0|1,0,0]=2 6091 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,1,0,0,0,0|1,0,0]=2 6092 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,1,0,0,0,0|1,0,0]=2 6093 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,1,0,0,0,0|1,0,0]=2 6094 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,1,0,0,0,0|1,0,0]=2 6095 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,1,0,0,0,0|1,0,0]=2 6096 B12R0.248 COC(=O)CCCCSCSC#N 62a_100000204269_100000211825 [0,1,0,0,0,0|2,0,1]=4 6097 B12R0.248 COC(=O)CCCCSCSC#N 62a_100000211825_100000204269 [0,1,0,0,0,0|2,0,1]=4 6098 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,1,0,0,0,0|1,0,0]=2 6099 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,1,0,0,0,0|1,0,0]=2 6100 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,1,0,0,0,0|1,0,0]=2 6101 B12R0.248 COC(=O)CCCOCC#CCCl 34a_200000047223_100000742333 [0,1,0,0,0,0|1,0,2]=4 6102 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,1,0,0,0,0|1,0,0]=2 6103 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,1,0,0,0,0|1,0,0]=2 6104 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,1,0,0,0,0|1,0,0]=2 6105 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,1,0,0,0,0|1,0,0]=2 6106 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,1,0,0,0,0|1,0,0]=2 6107 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,1,0,0,0,0|1,0,0]=2 6108 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,1,0,0,0,0|1,0,0]=2 6109 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,1,0,0,0,0|1,0,0]=2 6110 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,1,0,0,0,0|1,0,0]=2 6111 B12R0.248 COC(=O)CCCSCC#CCO 62a_100011218270_200000047223 [0,1,0,0,0,0|1,0,2]=4 6112 B12R0.248 COC(=O)CCCSCC#CCO 62a_200000047223_100011218270 [0,1,0,0,0,0|1,0,2]=4 6113 B12R0.248 COC(=O)CCCSCCCC#N 62a_100000687738_100011218270 [0,1,0,0,0,0|1,0,1]=3 6114 B12R0.248 COC(=O)CCCSCCCC#N 62a_100011218270_100000687738 [0,1,0,0,0,0|1,0,1]=3 6115 B12R0.248 COC(=O)CCCSCCCC=O 62a_100011218270_200011292268 [0,1,0,0,0,0|1,0,1]=3 6116 B12R0.248 COC(=O)CCCSCCCC=O 62a_200011292268_100011218270 [0,1,0,0,0,0|1,0,1]=3 6117 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,1,0,0,0,0|1,0,0]=2 6118 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,1,0,0,0,0|1,0,0]=2 6119 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,1,0,0,0,0|1,0,0]=2 6120 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,1,0,0,0,0|1,0,0]=2 6121 B12R0.248 COC(=O)CCCSCCSC#N 62a_100000034367_100011218270 [0,1,0,0,0,0|2,0,1]=4 6122 B12R0.248 COC(=O)CCCSCCSC#N 62a_100011218270_100000034367 [0,1,0,0,0,0|2,0,1]=4 6123 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,1,0,0,0,0|1,0,0]=2 6124 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,1,0,0,0,0|1,0,0]=2 6125 B12R0.248 COC(=O)CCNCCCN=[N+]=[N-] 2230a_100000744732_100000204255 [0,1,0,0,0,0|3,0,0]=4 6126 B12R0.248 COC(=O)CCNCCOCCO 2230a_100000211614_100000204255 [0,1,0,0,0,0|2,0,0]=3 6127 B12R0.248 COC(=O)CCNCCOCCO 34a_100000211614_100000742370 [0,1,0,0,0,0|2,0,0]=3 6128 B12R0.248 COC(=O)CCNCCSCCO 2230a_100011219999_100000204255 [0,1,0,0,0,0|2,0,0]=3 6129 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,1,0,0,0,0|1,0,0]=2 6130 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,1,0,0,0,0|1,0,0]=2 6131 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,1,0,0,0,0|1,0,0]=2 6132 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,1,0,0,0,0|1,0,0]=2 6133 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,1,0,0,0,0|1,0,0]=2 6134 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,1,0,0,0,0|1,0,0]=2 6135 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,1,0,0,0,0|1,0,0]=2 6136 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,1,0,0,0,0|1,0,0]=2 6137 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,1,0,0,0,0|1,0,0]=2 6138 B12R0.248 COC(=O)CCOCCOCCBr 34a_100000692535_100000742370 [0,1,0,0,0,0|2,0,0]=3 6139 B12R0.248 COC(=O)CCOCCOCCBr 7a_100000692535_100000204255 [0,1,0,0,0,0|2,0,0]=3 6140 B12R0.248 COC(=O)CCOCCOCCCl 34a_100011215305_100000742370 [0,1,0,0,0,0|2,0,0]=3 6141 B12R0.248 COC(=O)CCOCCOCCCl 7a_100011215305_100000204255 [0,1,0,0,0,0|2,0,0]=3 6142 B12R0.248 COC(=O)CCOCCOCCF 34a_200015357709_100000742370 [0,1,0,0,0,0|2,0,0]=3 6143 B12R0.248 COC(=O)CCOCCOCCF 7a_200015357709_100000204255 [0,1,0,0,0,0|2,0,0]=3 6144 B12R0.248 COC(=O)CCOCCOCCI 34a_100012149058_100000742370 [0,1,0,0,0,0|2,0,0]=3 6145 B12R0.248 COC(=O)CCOCCOCCI 7a_100012149058_100000204255 [0,1,0,0,0,0|2,0,0]=3 6146 B12R0.248 COC(=O)CCOCCOCCN 34a_100000211614_100000742370 [0,1,0,0,0,0|2,0,0]=3 6147 B12R0.248 COC(=O)CCSCCCCC#N 62a_100000204255_100000211819 [0,1,0,0,0,0|1,0,1]=3 6148 B12R0.248 COC(=O)CCSCCCCC#N 62a_100011219923_100000204255 [0,1,0,0,0,0|1,0,1]=3 6149 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000139335_100000204255 [0,1,0,0,0,0|1,0,1]=3 6150 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000204255_100000139335 [0,1,0,0,0,0|1,0,1]=3 6151 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,1,0,0,0,0|1,0,0]=2 6152 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,1,0,0,0,0|1,0,0]=2 6153 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,1,0,0,0,0|1,0,0]=2 6154 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,1,0,0,0,0|1,0,0]=2 6155 B12R0.248 COC(=O)CCSCCOCC#N 62a_100000204255_200000047693 [0,1,0,0,0,0|2,0,1]=4 6156 B12R0.248 COC(=O)CCSCCOCC#N 62a_200000047693_100000204255 [0,1,0,0,0,0|2,0,1]=4 6157 B12R0.248 COC(=O)CCSCCOCCO 62a_100000204255_100011215305 [0,1,0,0,0,0|2,0,0]=3 6158 B12R0.248 COC(=O)CCSCCOCCO 62a_100011215305_100000204255 [0,1,0,0,0,0|2,0,0]=3 6159 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,1,0,0,0,0|1,0,0]=2 6160 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,1,0,0,0,0|1,0,0]=2 6161 B12R0.248 COC(=O)CNCCCCN=[N+]=[N-] 2230a_100000101370_100000747449 [0,1,0,0,0,0|3,0,0]=4 6162 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,1,0,0,0,0|1,0,0]=2 6163 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,1,0,0,0,0|1,0,0]=2 6164 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,1,0,0,0,0|1,0,0]=2 6165 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,1,0,0,0,0|1,0,0]=2 6166 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,1,0,0,0,0|1,0,0]=2 6167 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,1,0,0,0,0|1,0,0]=2 6168 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,1,0,0,0,0|1,0,0]=2 6169 B12R0.248 COC(=O)COCCNCCCF 2230a_100015189416_100000090808 [0,1,0,0,0,0|2,0,0]=3 6170 B12R0.248 COC(=O)COCCNCCCF 34a_100015189416_100000090808 [0,1,0,0,0,0|2,0,0]=3 6171 B12R0.248 COC(=O)COCCNCCSC 2230a_100020590264_100000090808 [0,1,0,0,0,0|2,0,0]=3 6172 B12R0.248 COC(=O)COCCOCCCBr 34a_100011217188_100000090808 [0,1,0,0,0,0|2,0,0]=3 6173 B12R0.248 COC(=O)COCCOCCCCl 34a_100000230001_100000090808 [0,1,0,0,0,0|2,0,0]=3 6174 B12R0.248 COC(=O)COCCOCCCF 34a_100000759539_100000090808 [0,1,0,0,0,0|2,0,0]=3 6175 B12R0.248 COC(=O)COCCOCCCN 34a_100000182051_100000090808 [0,1,0,0,0,0|2,0,0]=3 6176 B12R0.248 COC(=O)COCCOCCON 34a_100000700252_100000090808 [0,1,0,0,0,0|3,0,0]=4 6177 B12R0.248 COC(=O)COCCOCCO[13CH3] 34a_100011023656_200025704644 [0,1,0,0,0,0|2,0,0]=3 6178 B12R0.248 COC(=O)COCCOCCO[13CH3] 7a_100011023656_200025704644 [0,1,0,0,0,0|2,0,0]=3 6179 B12R0.248 COC(=O)COCCOCCSC 34a_100000230434_100000090808 [0,1,0,0,0,0|2,0,0]=3 6180 B12R0.248 COC(=O)COCCOCCSC 7a_100000230434_100000090808 [0,1,0,0,0,0|2,0,0]=3 6181 B12R0.248 COC(=O)COCCSCCC#N 62a_100000090808_100011215226 [0,1,0,0,0,0|2,0,1]=4 6182 B12R0.248 COC(=O)COCCSCCC#N 62a_100011215226_100000090808 [0,1,0,0,0,0|2,0,1]=4 6183 B12R0.248 COC(=O)COCCSCCCF 62a_100000090808_100011934791 [0,1,0,0,0,0|2,0,0]=3 6184 B12R0.248 COC(=O)COCCSCCCF 62a_100011934791_100000090808 [0,1,0,0,0,0|2,0,0]=3 6185 B12R0.248 COC(=O)COCCSCCCO 62a_100000090808_100011215043 [0,1,0,0,0,0|2,0,0]=3 6186 B12R0.248 COC(=O)COCCSCCCO 62a_100011215043_100000090808 [0,1,0,0,0,0|2,0,0]=3 6187 B12R0.248 COC(=O)COCCSCCSC 62a_100000090808_100000751147 [0,1,0,0,0,0|2,0,0]=3 6188 B12R0.248 COC(=O)COCCSCCSC 62a_100000212216_100000090808 [0,1,0,0,0,0|2,0,0]=3 6189 B12R0.248 COC(=O)CSCCCCCC#N 62a_100000747449_100009813376 [0,1,0,0,0,0|1,0,1]=3 6190 B12R0.248 COC(=O)CSCCCCCC#N 62a_100009813376_100000747449 [0,1,0,0,0,0|1,0,1]=3 6191 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [0,1,0,0,0,0|1,0,1]=3 6192 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [0,1,0,0,0,0|1,0,1]=3 6193 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,1,0,0,0,0|1,0,0]=2 6194 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,1,0,0,0,0|1,0,0]=2 6195 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,1,0,0,0,0|1,0,0]=2 6196 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,1,0,0,0,0|1,0,0]=2 6197 B12R0.248 COC(=O)NCCOCCCCF 34a_100000757965_100000729493 [0,1,0,0,0,0|2,0,0]=3 6198 B12R0.248 COC(=O)NCCOCCCCO 34a_100000757965_100011216708 [0,1,0,0,0,0|2,0,0]=3 6199 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [0,1,0,0,0,0|2,0,0]=3 6200 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [0,1,0,0,0,0|2,0,0]=3 6201 B12R0.248 COC(=O)OCSCCCCC#N 62a_100011219923_100000139417 [0,1,0,0,0,0|2,0,1]=4 6202 B12R0.248 COC(=O)OCSCCCCC=O 62a_100000139335_100000139417 [0,1,0,0,0,0|2,0,1]=4 6203 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [0,1,0,0,0,0|2,0,0]=3 6204 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [0,1,0,0,0,0|2,0,0]=3 6205 B12R0.248 COC(=O)OCSCCOCCO 62a_100011215305_100000139417 [0,1,0,0,0,0|3,0,0]=4 6206 B12R0.248 COC(C)CCOCCCCCF 7a_100000764861_100000729378 [0,1,0,0,0,0|2,0,1]=4 6207 B12R0.248 COC(C)CCOCCCCCO 7a_100000764861_100000746330 [0,1,0,0,0,0|2,0,1]=4 6208 B12R0.248 COC(C)COCCCCCCF 34a_100000690652_100015922095 [0,1,0,0,0,0|2,0,1]=4 6209 B12R0.248 COC(C)COCCCCCCO 34a_100000690652_100000766143 [0,1,0,0,0,0|2,0,1]=4 6210 B12R0.248 COC(C)SCCCCCCCO 62a_100000760002_100009879195 [0,1,0,0,0,0|2,0,1]=4 6211 B12R0.248 COC(C)SCCCCCCCO 62a_100009879195_100000760002 [0,1,0,0,0,0|2,0,1]=4 6212 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,1,0,0,0,0|0,0,0]=1 6213 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,1,0,0,0,0|0,0,0]=1 6214 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,1,0,0,0,0|0,0,0]=1 6215 B12R0.248 COCCCCCCSC(C)OC 62a_100009879195_100011998445 [0,1,0,0,0,0|2,0,1]=4 6216 B12R0.248 COCCCCCCSC(C)OC 62a_100011998445_100009879195 [0,1,0,0,0,0|2,0,1]=4 6217 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,1,0,0,0,0|1,0,0]=2 6218 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,1,0,0,0,0|1,0,0]=2 6219 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,1,0,0,0,0|1,0,0]=2 6220 B12R0.248 COCCCCOCCC(C)OC 7a_100000764861_100000730899 [0,1,0,0,0,0|2,0,1]=4 6221 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,1,0,0,0,0|1,0,0]=2 6222 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,1,0,0,0,0|1,0,0]=2 6223 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [0,1,0,0,0,0|2,0,0]=3 6224 B12R0.248 COCCCNC/C=C/C(=O)OC 34a_100150723488_100000742655 [0,1,0,0,0,0|1,0,2]=4 6225 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,1,0,0,0,0|1,0,0]=2 6226 B12R0.248 COCCCOC/C=C/C(=O)OC 34a_100000740835_100000742655 [0,1,0,0,0,0|1,0,2]=4 6227 B12R0.248 COCCCOCCCC(=O)NN 34a_100000211488_100000740836 [0,1,0,0,0,0|3,0,0]=4 6228 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,1,0,0,0,0|1,0,0]=2 6229 B12R0.248 COCCCOCCNC(=O)OC 34a_100000757965_100000740836 [0,1,0,0,0,0|2,0,0]=3 6230 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [0,1,0,0,0,0|2,0,0]=3 6231 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000709357_100000742655 [0,1,0,0,0,0|1,0,2]=4 6232 B12R0.248 COCCCSC/C=C/C(=O)OC 62a_100000742655_100000709357 [0,1,0,0,0,0|1,0,2]=4 6233 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,1,0,0,0,0|1,0,0]=2 6234 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,1,0,0,0,0|1,0,0]=2 6235 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,1,0,0,0,0|1,0,0]=2 6236 B12R0.248 COCCNCCOCC(=O)OC 2230a_100000209980_100000090808 [0,1,0,0,0,0|2,0,0]=3 6237 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,1,0,0,0,0|1,0,0]=2 6238 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,1,0,0,0,0|1,0,0]=2 6239 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,1,0,0,0,0|1,0,0]=2 6240 B12R0.248 COCCOCCNCC(=O)OC 2230a_100000745349_100000747449 [0,1,0,0,0,0|2,0,0]=3 6241 B12R0.248 COCCOCCNCC(=O)OC 34a_100000745349_100000747449 [0,1,0,0,0,0|2,0,0]=3 6242 B12R0.248 COCCOCCOCC(=O)OC 34a_100000210237_100000090808 [0,1,0,0,0,0|2,0,0]=3 6243 B12R0.248 COCCOCCOCC(=O)OC 34a_100011023656_200000210301 [0,1,0,0,0,0|2,0,0]=3 6244 B12R0.248 COCCOCCOCC(=O)OC 34a_100011215163_100000747449 [0,1,0,0,0,0|2,0,0]=3 6245 B12R0.248 COCCOCCOCC(=O)OC 7a_100011023656_200000210301 [0,1,0,0,0,0|2,0,0]=3 6246 B12R0.248 COCCOCCOCC(=O)OC 7a_100011215163_100000747449 [0,1,0,0,0,0|2,0,0]=3 6247 B12R0.248 COCCOCCSCC(=O)OC 62a_100000695917_100000747449 [0,1,0,0,0,0|2,0,0]=3 6248 B12R0.248 COCCOCCSCC(=O)OC 62a_100000747449_100000695917 [0,1,0,0,0,0|2,0,0]=3 6249 B12R0.248 COCCOCSCCC(=O)OC 62a_100000204255_100000231047 [0,1,0,0,0,0|2,0,0]=3 6250 B12R0.248 COCCOCSCCC(=O)OC 62a_100000231047_100000204255 [0,1,0,0,0,0|2,0,0]=3 6251 B12R0.248 COCCOCSCOC(=O)OC 62a_100000231047_100000139417 [0,1,0,0,0,0|3,0,0]=4 6252 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,1,0,0,0,0|1,0,0]=2 6253 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,1,0,0,0,0|1,0,0]=2 6254 B12R0.248 COCCSCCOCC(=O)OC 62a_100000090808_100000233755 [0,1,0,0,0,0|2,0,0]=3 6255 B12R0.248 COCCSCCOCC(=O)OC 62a_100000233755_100000090808 [0,1,0,0,0,0|2,0,0]=3 6256 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,1,0,0,0,0|1,0,0]=2 6257 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,1,0,0,0,0|1,0,0]=2 6258 B12R0.248 CO[C@H](C)CNCCCCCCF 2230a_100020591295_100015922095 [0,1,0,0,0,0|2,0,1]=4 6259 B12R0.248 CO[C@H](C)CNCCCCCCO 2230a_100020591295_100000766143 [0,1,0,0,0,0|2,0,1]=4 6260 B12R0.248 NNC(=O)CCCOCCCCF 34a_100000211488_100000729493 [0,1,0,0,0,0|3,0,0]=4 6261 B12R0.248 NNC(=O)CCCOCCCCO 34a_100000211488_100011216708 [0,1,0,0,0,0|3,0,0]=4 6262 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,1,0,0,0,0|2,0,0]=3 6263 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,1,0,0,0,0|3,0,0]=4 6264 B12R0.251 C#CCCCCCCC(=O)C(=C)C 1458a_100000185857_100012276617 [0,1,0,0,0,0|1,0,2]=4 6265 B12R0.251 C#CCCCCCCC(=O)C(C)C 1458a_100000034748_100000210206 [0,1,0,0,0,0|1,0,2]=4 6266 B12R0.251 C#CCCCCCCC(=O)C(C)C 1458a_100000210198_100012276617 [0,1,0,0,0,0|1,0,2]=4 6267 B12R0.251 C#CCCCCCCC(=O)C(C)F 1458a_100000062450_100012276617 [0,1,0,0,0,0|1,0,2]=4 6268 B12R0.251 C#CCCCCCCC(=O)N(C)C 11a_100102631434_100000034748 [0,1,0,0,0,0|1,0,2]=4 6269 B12R0.251 C#CCCCCCCC(=O)N(C)C 1626a_100102631434_100000034748 [0,1,0,0,0,0|1,0,2]=4 6270 B12R0.251 C#CCCCCCCC(=O)N(C)C 240690a_100102631434_100000034748 [0,1,0,0,0,0|1,0,2]=4 6271 B12R0.251 C#CCCCCCCC(=O)N(C)C 527a_100102631434_100000034748 [0,1,0,0,0,0|1,0,2]=4 6272 B12R0.251 C#CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012276617 [0,1,0,0,0,0|1,0,2]=4 6273 B12R0.251 C#CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012276617 [0,1,0,0,0,0|1,0,2]=4 6274 B12R0.251 C=C(Br)C(=O)NCCCCCCC 11a_100000229938_100009813364 [0,1,0,0,0,0|2,0,1]=4 6275 B12R0.251 C=C(Br)C(=O)NCCCCCCC 1626a_100000229938_100009813364 [0,1,0,0,0,0|2,0,1]=4 6276 B12R0.251 C=C(C)C(=O)CC#CCCCCC 1458a_100000185857_100009816472 [0,1,0,0,0,0|1,0,2]=4 6277 B12R0.251 C=C(C)C(=O)CCCCCCC#N 1458a_100000185857_100009813337 [0,1,0,0,0,0|2,0,1]=4 6278 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,1,0,0,0,0|1,0,0]=2 6279 B12R0.251 C=C(C)C(=O)CCCCCCCO 1458a_100000185857_100000760002 [0,1,0,0,0,0|2,0,0]=3 6280 B12R0.251 C=C(C)C(=O)CCCCCCOC 1458a_100000185857_100011998445 [0,1,0,0,0,0|2,0,0]=3 6281 B12R0.251 C=C(C)C(=O)CCCOCCOC 1458a_100000185857_100011216529 [0,1,0,0,0,0|3,0,0]=4 6282 B12R0.251 C=C(C)C(=O)CCOCCOCC 1458a_100000185857_100011211534 [0,1,0,0,0,0|3,0,0]=4 6283 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [0,1,0,0,0,0|2,0,0]=3 6284 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [0,1,0,0,0,0|2,0,0]=3 6285 B12R0.251 C=C(C)C(=O)NCCCCCOC 11a_100000747528_100000185857 [0,1,0,0,0,0|3,0,0]=4 6286 B12R0.251 C=C(C)C(=O)NCCCCCOC 1626a_100000747528_100000185857 [0,1,0,0,0,0|3,0,0]=4 6287 B12R0.251 C=C(C)C(=O)NCCCNCCC 2230a_100016987756_100000210303 [0,1,0,0,0,0|3,0,0]=4 6288 B12R0.251 C=C(C)C(=O)NCCCOCCC 1626a_100011217757_100000185857 [0,1,0,0,0,0|3,0,0]=4 6289 B12R0.251 C=C(C)C(=O)NCCNCCCC 2230a_100102636416_100000210211 [0,1,0,0,0,0|3,0,0]=4 6290 B12R0.251 C=C(C)C(=O)NCCSCCCC 11a_100025743550_100000185857 [0,1,0,0,0,0|3,0,0]=4 6291 B12R0.251 C=C(C)C(=O)NCCSCCCC 1626a_100025743550_100000185857 [0,1,0,0,0,0|3,0,0]=4 6292 B12R0.251 C=C(C)C(=O)OCCCCOCC 7a_100000065474_100000210202 [0,1,0,0,0,0|3,0,0]=4 6293 B12R0.251 C=C(C)C(=O)OCCCOCCC 7a_100000032641_100000210303 [0,1,0,0,0,0|3,0,0]=4 6294 B12R0.251 C=C(C)C(=O)OCCNCCCC 2230a_100000102301_100009816335 [0,1,0,0,0,0|3,0,0]=4 6295 B12R0.251 C=C(C)C(=O)OCCNCCCC 7a_106832991798_100009816335 [0,1,0,0,0,0|3,0,0]=4 6296 B12R0.251 C=C(C)C(=O)OCCOCCCC 34a_100000210227_100009816335 [0,1,0,0,0,0|3,0,0]=4 6297 B12R0.251 C=C(C)C(=O)OCCOCCCC 7a_100000210227_100009816335 [0,1,0,0,0,0|3,0,0]=4 6298 B12R0.251 C=C(C)C(=O)OCCSCCCC 62a_100000210211_100009816335 [0,1,0,0,0,0|3,0,0]=4 6299 B12R0.251 C=C(C)C(=O)OCCSCCCC 62a_100009816335_100000210210 [0,1,0,0,0,0|3,0,0]=4 6300 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 11a_100000229938_100000039160 [0,1,0,0,0,0|2,0,1]=4 6301 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 1626a_100000229938_100000039160 [0,1,0,0,0,0|2,0,1]=4 6302 B12R0.251 C=C(F)C(=O)NCCCCCCC 11a_100000229938_100000036797 [0,1,0,0,0,0|2,0,1]=4 6303 B12R0.251 C=C(F)C(=O)NCCCCCCC 1626a_100000229938_100000036797 [0,1,0,0,0,0|2,0,1]=4 6304 B12R0.251 C=CCCCCCCC(=O)C(=C)C 1458a_100000185857_100011215473 [0,1,0,0,0,0|1,0,2]=4 6305 B12R0.251 C=CCCCCCCC(=O)C(C)C 1458a_100000210198_100011215473 [0,1,0,0,0,0|1,0,2]=4 6306 B12R0.251 C=CCCCCCCC(=O)C(C)C 1458a_100011809334_100000210206 [0,1,0,0,0,0|1,0,2]=4 6307 B12R0.251 C=CCCCCCCC(=O)C(C)F 1458a_100000062450_100011215473 [0,1,0,0,0,0|1,0,2]=4 6308 B12R0.251 C=CCCCCCCC(=O)N(C)C 11a_100102631434_100011809334 [0,1,0,0,0,0|1,0,2]=4 6309 B12R0.251 C=CCCCCCCC(=O)N(C)C 1626a_100102631434_100011809334 [0,1,0,0,0,0|1,0,2]=4 6310 B12R0.251 C=CCCCCCCC(=O)N(C)C 240690a_100102631434_100011809334 [0,1,0,0,0,0|1,0,2]=4 6311 B12R0.251 C=CCCCCCCC(=O)N(C)C 527a_100102631434_100011809334 [0,1,0,0,0,0|1,0,2]=4 6312 B12R0.251 C=CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215473 [0,1,0,0,0,0|1,0,2]=4 6313 B12R0.251 C=CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215473 [0,1,0,0,0,0|1,0,2]=4 6314 B12R0.251 CC(=O)C(=O)CNCCCCCO 34a_100000762737_100011261029 [0,1,0,0,0,0|3,0,0]=4 6315 B12R0.251 CC(=O)C(=O)COCCCCCBr 34a_100000746331_100011261029 [0,1,0,0,0,0|3,0,0]=4 6316 B12R0.251 CC(=O)C(=O)COCCCCCCl 34a_100000746330_100011261029 [0,1,0,0,0,0|3,0,0]=4 6317 B12R0.251 CC(=O)C(=O)COCCCCCI 34a_200012148887_100011261029 [0,1,0,0,0,0|3,0,0]=4 6318 B12R0.251 CC(=O)C(=O)COCCCCCN 34a_100000762737_100011261029 [0,1,0,0,0,0|3,0,0]=4 6319 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100000729378_100011261029 [0,1,0,0,0,0|3,0,0]=4 6320 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100011261029_100000729378 [0,1,0,0,0,0|3,0,0]=4 6321 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100000746330_100011261029 [0,1,0,0,0,0|3,0,0]=4 6322 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100011261029_100000746330 [0,1,0,0,0,0|3,0,0]=4 6323 B12R0.251 CC(C)C(=O)CCCCCCC#N 1458a_100000210198_100009813337 [0,1,0,0,0,0|2,0,1]=4 6324 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100000210198_100000760002 [0,1,0,0,0,0|2,0,0]=3 6325 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100011219782_100000210206 [0,1,0,0,0,0|2,0,0]=3 6326 B12R0.251 CC(C)C(=O)CNCCCCCO 2230a_100000762737_100000753385 [0,1,0,0,0,0|3,0,0]=4 6327 B12R0.251 CC(C)C(=O)CNCCCCCO 34a_100000762737_100000753385 [0,1,0,0,0,0|3,0,0]=4 6328 B12R0.251 CC(C)C(=O)COCCCCCBr 34a_100000746331_100000753385 [0,1,0,0,0,0|3,0,0]=4 6329 B12R0.251 CC(C)C(=O)COCCCCCBr 7a_100000746331_100000753385 [0,1,0,0,0,0|3,0,0]=4 6330 B12R0.251 CC(C)C(=O)COCCCCCCl 34a_100000746330_100000753385 [0,1,0,0,0,0|3,0,0]=4 6331 B12R0.251 CC(C)C(=O)COCCCCCCl 7a_100000746330_100000753385 [0,1,0,0,0,0|3,0,0]=4 6332 B12R0.251 CC(C)C(=O)COCCCCCI 34a_200012148887_100000753385 [0,1,0,0,0,0|3,0,0]=4 6333 B12R0.251 CC(C)C(=O)COCCCCCI 7a_200012148887_100000753385 [0,1,0,0,0,0|3,0,0]=4 6334 B12R0.251 CC(C)C(=O)COCCCCCN 34a_100000762737_100000753385 [0,1,0,0,0,0|3,0,0]=4 6335 B12R0.251 CC(C)C(=O)CSCCCCCF 62a_100000729378_100000753385 [0,1,0,0,0,0|3,0,0]=4 6336 B12R0.251 CC(C)C(=O)CSCCCCCF 62a_100000753385_100000729378 [0,1,0,0,0,0|3,0,0]=4 6337 B12R0.251 CC(C)C(=O)CSCCCCCO 62a_100000746330_100000753385 [0,1,0,0,0,0|3,0,0]=4 6338 B12R0.251 CC(C)C(=O)CSCCCCCO 62a_100000753385_100000746330 [0,1,0,0,0,0|3,0,0]=4 6339 B12R0.251 CC(C)C(=O)NCCCCCCO 240690a_100000686447_100000210198 [0,1,0,0,0,0|3,0,0]=4 6340 B12R0.251 CC(C)C(=O)NCCCCCCO 527a_100000686447_100000210198 [0,1,0,0,0,0|3,0,0]=4 6341 B12R0.251 CC(F)C(=O)CCCCCCC#N 1458a_100000062450_100009813337 [0,1,0,0,0,0|2,0,1]=4 6342 B12R0.251 CC(F)C(=O)CCCCCCCO 1458a_100000062450_100000760002 [0,1,0,0,0,0|2,0,0]=3 6343 B12R0.251 CC(F)C(=O)NCCCCCCO 240690a_100000686447_100000062450 [0,1,0,0,0,0|3,0,0]=4 6344 B12R0.251 CC(F)C(=O)NCCCCCCO 527a_100000686447_100000062450 [0,1,0,0,0,0|3,0,0]=4 6345 B12R0.251 CCCCC/C=C/CC(=O)C(C)C 1458a_100020675968_100000210206 [0,1,0,0,0,0|1,0,2]=4 6346 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 11a_100102631434_100020675968 [0,1,0,0,0,0|1,0,2]=4 6347 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 1626a_100102631434_100020675968 [0,1,0,0,0,0|1,0,2]=4 6348 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 240690a_100102631434_100020675968 [0,1,0,0,0,0|1,0,2]=4 6349 B12R0.251 CCCCCC#CCC(=O)C(C)C 1458a_100000210198_100009816472 [0,1,0,0,0,0|1,0,2]=4 6350 B12R0.251 CCCCCC#CCC(=O)C(C)F 1458a_100000062450_100009816472 [0,1,0,0,0,0|1,0,2]=4 6351 B12R0.251 CCCCCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009816472 [0,1,0,0,0,0|1,0,2]=4 6352 B12R0.251 CCCCCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009816472 [0,1,0,0,0,0|1,0,2]=4 6353 B12R0.251 CCCCCCC=CC(=O)C(C)C 1458a_200015324643_100000210206 [0,1,0,0,0,0|1,0,2]=4 6354 B12R0.251 CCCCCCC=CC(=O)N(C)C 11a_100102631434_200015324643 [0,1,0,0,0,0|1,0,2]=4 6355 B12R0.251 CCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015324643 [0,1,0,0,0,0|1,0,2]=4 6356 B12R0.251 CCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015324643 [0,1,0,0,0,0|1,0,2]=4 6357 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,1,0,0,0,0|1,0,0]=2 6358 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,1,0,0,0,0|1,0,0]=2 6359 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,1,0,0,0,0|1,0,0]=2 6360 B12R0.251 CCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210759 [0,1,0,0,0,0|2,0,0]=3 6361 B12R0.251 CCCCCCCCC(=O)N(C)C 11a_100102631434_100000210188 [0,1,0,0,0,0|1,0,0]=2 6362 B12R0.251 CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210188 [0,1,0,0,0,0|1,0,0]=2 6363 B12R0.251 CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210188 [0,1,0,0,0,0|1,0,0]=2 6364 B12R0.251 CCCCCCCCC(=O)N(C)C 527a_100102631434_100000210188 [0,1,0,0,0,0|1,0,0]=2 6365 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,1,0,0,0,0|1,0,0]=2 6366 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,1,0,0,0,0|1,0,0]=2 6367 B12R0.251 CCCCCCCCC(C)N(C)C 270004a_100102631434_100011216694 [0,1,0,0,0,0|2,0,1]=4 6368 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,1,0,0,0,0|1,0,2]=4 6369 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,1,0,0,0,0|1,0,2]=4 6370 B12R0.251 CCCCCCCCN(C)C(=O)C 11a_100000207567_100015343762 [0,1,0,0,0,0|3,0,0]=4 6371 B12R0.251 CCCCCCCCN(C)C(=O)C 1626a_100000207567_100015343762 [0,1,0,0,0,0|3,0,0]=4 6372 B12R0.251 CCCCCCCCN(C)C(=O)C 240690a_100000207567_100015343762 [0,1,0,0,0,0|3,0,0]=4 6373 B12R0.251 CCCCCCCCN(C)C(=O)C 527a_100000207567_100103153847 [0,1,0,0,0,0|3,0,0]=4 6374 B12R0.251 CCCCCCCCN(C)C(C)C 2230a_100000207567_100000210206 [0,1,0,0,0,0|3,0,0]=4 6375 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_100000207567_100000210206 [0,1,0,0,0,0|3,0,0]=4 6376 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_200000211004_100000210759 [0,1,0,0,0,0|3,0,0]=4 6377 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [0,1,0,0,0,0|3,0,0]=4 6378 B12R0.251 CCCCCCCNC(=O)C(C)C 11a_100000229938_100000210198 [0,1,0,0,0,0|2,0,0]=3 6379 B12R0.251 CCCCCCCNC(=O)C(C)C 1626a_100000229938_100000210198 [0,1,0,0,0,0|2,0,0]=3 6380 B12R0.251 CCCCCCCNC(=O)C(C)C 240690a_100000229938_100000210198 [0,1,0,0,0,0|2,0,0]=3 6381 B12R0.251 CCCCCCCNC(=O)C(C)C 527a_100000229938_100000210198 [0,1,0,0,0,0|2,0,0]=3 6382 B12R0.251 CCCCCCCNC(=O)C(C)F 11a_100000229938_100000062450 [0,1,0,0,0,0|2,0,0]=3 6383 B12R0.251 CCCCCCCNC(=O)C(C)F 1626a_100000229938_100000062450 [0,1,0,0,0,0|2,0,0]=3 6384 B12R0.251 CCCCCCCNC(=O)C(C)F 240690a_100000229938_100000062450 [0,1,0,0,0,0|2,0,0]=3 6385 B12R0.251 CCCCCCCNC(=O)C(C)F 527a_100000229938_100000062450 [0,1,0,0,0,0|2,0,0]=3 6386 B12R0.251 CCCCCCCNC(=O)C(F)F 11a_100000229938_100000210393 [0,1,0,0,0,0|3,0,0]=4 6387 B12R0.251 CCCCCCCNC(=O)C(F)F 1626a_100000229938_100000210393 [0,1,0,0,0,0|3,0,0]=4 6388 B12R0.251 CCCCCCCNC(=O)C(F)F 240690a_100000229938_100000210393 [0,1,0,0,0,0|3,0,0]=4 6389 B12R0.251 CCCCCCCNC(=O)C(F)F 527a_100000229938_100000210393 [0,1,0,0,0,0|3,0,0]=4 6390 B12R0.251 CCCCCCCNC(=O)C(O)O 240690a_100000229938_100000233687 [0,1,0,0,0,0|3,0,0]=4 6391 B12R0.251 CCCCCCCNC(=O)N(C)C 2708a_100000229938_100102631434 [0,1,0,0,0,0|2,0,0]=3 6392 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [0,1,0,0,0,0|2,0,0]=3 6393 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [0,1,0,0,0,0|2,0,0]=3 6394 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [0,1,0,0,0,0|2,0,0]=3 6395 B12R0.251 CCCCCCNCC(=O)C(C)C 2230a_100000210581_100000753385 [0,1,0,0,0,0|2,0,0]=3 6396 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100000210581_100000185267 [0,1,0,0,0,0|2,0,0]=3 6397 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210314 [0,1,0,0,0,0|2,0,0]=3 6398 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,1,0,0,0,0|2,0,0]=3 6399 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [0,1,0,0,0,0|2,0,0]=3 6400 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [0,1,0,0,0,0|2,0,0]=3 6401 B12R0.251 CCCCCCOCC(=O)N(C)C 34a_100000210259_100000692301 [0,1,0,0,0,0|2,0,0]=3 6402 B12R0.251 CCCCCCOCC(=O)N(C)C 7a_100000210259_100000692301 [0,1,0,0,0,0|2,0,0]=3 6403 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,1,0,0,0,0|2,0,0]=3 6404 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,1,0,0,0,0|2,0,0]=3 6405 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000210314_100000753385 [0,1,0,0,0,0|2,0,0]=3 6406 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000753385_100000210757 [0,1,0,0,0,0|2,0,0]=3 6407 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000210314_100000692301 [0,1,0,0,0,0|2,0,0]=3 6408 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000692301_100000210757 [0,1,0,0,0,0|2,0,0]=3 6409 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000209983_100000737620 [0,1,0,0,0,0|2,0,0]=3 6410 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210326 [0,1,0,0,0,0|2,0,0]=3 6411 B12R0.251 CCCCCOCCC(=O)N(C)C 34a_200000747469_100000718602 [0,1,0,0,0,0|2,0,0]=3 6412 B12R0.251 CCCCCOCCC(=O)N(C)C 7a_100000210253_100000737620 [0,1,0,0,0,0|2,0,0]=3 6413 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000210326_100000737620 [0,1,0,0,0,0|2,0,0]=3 6414 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000737620_100000210326 [0,1,0,0,0,0|2,0,0]=3 6415 B12R0.251 CCCCCSCOC(=O)C(C)C 62a_100000139345_100000210326 [0,1,0,0,0,0|3,0,0]=4 6416 B12R0.251 CCCCCSCOC(=O)C(C)C 62a_100000210326_100000139345 [0,1,0,0,0,0|3,0,0]=4 6417 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_100000102301_100000737642 [0,1,0,0,0,0|2,0,0]=3 6418 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210211 [0,1,0,0,0,0|2,0,0]=3 6419 B12R0.251 CCCCNCCCC(=O)N(C)C 7a_106832991798_100000737642 [0,1,0,0,0,0|2,0,0]=3 6420 B12R0.251 CCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210211 [0,1,0,0,0,0|3,0,0]=4 6421 B12R0.251 CCCCNCCNC(=O)C(C)C 34a_100000752568_100000210210 [0,1,0,0,0,0|3,0,0]=4 6422 B12R0.251 CCCCOCCCC(=O)N(C)C 7a_100000210227_100000737642 [0,1,0,0,0,0|2,0,0]=3 6423 B12R0.251 CCCCOCNCC(=O)N(C)C 2230a_100015183351_100011995733 [0,1,0,0,0,0|3,0,0]=4 6424 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011261029_100011995733 [0,1,0,0,0,0|3,0,0]=4 6425 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011995733_100011261029 [0,1,0,0,0,0|3,0,0]=4 6426 B12R0.251 CCCCOCSCC(=O)C(C)C 62a_100000753385_100011995733 [0,1,0,0,0,0|3,0,0]=4 6427 B12R0.251 CCCCOCSCC(=O)C(C)C 62a_100011995733_100000753385 [0,1,0,0,0,0|3,0,0]=4 6428 B12R0.251 CCCCOCSCC(=O)N(C)C 62a_100000692301_100011995733 [0,1,0,0,0,0|3,0,0]=4 6429 B12R0.251 CCCCOCSCC(=O)N(C)C 62a_100011995733_100000692301 [0,1,0,0,0,0|3,0,0]=4 6430 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000210211_100000737642 [0,1,0,0,0,0|2,0,0]=3 6431 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000737642_100000210210 [0,1,0,0,0,0|2,0,0]=3 6432 B12R0.251 CCCCSCCNC(=O)C(C)C 11a_100025743550_100000210198 [0,1,0,0,0,0|3,0,0]=4 6433 B12R0.251 CCCCSCCNC(=O)C(C)C 1626a_100025743550_100000210198 [0,1,0,0,0,0|3,0,0]=4 6434 B12R0.251 CCCCSCCNC(=O)C(C)C 240690a_100025743550_100000210198 [0,1,0,0,0,0|3,0,0]=4 6435 B12R0.251 CCCCSCCNC(=O)C(C)C 527a_100025743550_100000210198 [0,1,0,0,0,0|3,0,0]=4 6436 B12R0.251 CCCCSCCNC(=O)C(C)F 11a_100025743550_100000062450 [0,1,0,0,0,0|3,0,0]=4 6437 B12R0.251 CCCCSCCNC(=O)C(C)F 1626a_100025743550_100000062450 [0,1,0,0,0,0|3,0,0]=4 6438 B12R0.251 CCCCSCCNC(=O)C(C)F 240690a_100025743550_100000062450 [0,1,0,0,0,0|3,0,0]=4 6439 B12R0.251 CCCCSCCNC(=O)C(C)F 527a_100025743550_100000062450 [0,1,0,0,0,0|3,0,0]=4 6440 B12R0.251 CCCCSCCNC(=O)N(C)C 2708a_100025743550_100102631434 [0,1,0,0,0,0|3,0,0]=4 6441 B12R0.251 CCCCSCCNC(=O)[C@@H](C)O 240690a_100025743550_100000717761 [0,1,0,0,0,0|3,0,0]=4 6442 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 1626a_100025743550_217856618621 [0,1,0,0,0,0|3,0,0]=4 6443 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 240690a_100025743550_217856618621 [0,1,0,0,0,0|3,0,0]=4 6444 B12R0.251 CCCOCCCCC(=O)N(C)C 34a_100000210258_100000752486 [0,1,0,0,0,0|2,0,0]=3 6445 B12R0.251 CCCOCCCNC(=O)C(C)C 1626a_100011217757_100000210198 [0,1,0,0,0,0|3,0,0]=4 6446 B12R0.251 CCCOCCCNC(=O)C(C)C 240690a_100011217757_100000210198 [0,1,0,0,0,0|3,0,0]=4 6447 B12R0.251 CCCOCCCNC(=O)C(C)C 527a_100011217757_100000210198 [0,1,0,0,0,0|3,0,0]=4 6448 B12R0.251 CCCOCCCNC(=O)C(C)F 1626a_100011217757_100000062450 [0,1,0,0,0,0|3,0,0]=4 6449 B12R0.251 CCCOCCCNC(=O)C(C)F 240690a_100011217757_100000062450 [0,1,0,0,0,0|3,0,0]=4 6450 B12R0.251 CCCOCCCNC(=O)C(C)F 527a_100011217757_100000062450 [0,1,0,0,0,0|3,0,0]=4 6451 B12R0.251 CCCOCCCNC(=O)N(C)C 2708a_100011217757_100102631434 [0,1,0,0,0,0|3,0,0]=4 6452 B12R0.251 CCCOCCCNC(=O)[C@@H](C)O 240690a_100011217757_100000717761 [0,1,0,0,0,0|3,0,0]=4 6453 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 1626a_100011217757_217856618621 [0,1,0,0,0,0|3,0,0]=4 6454 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 240690a_100011217757_217856618621 [0,1,0,0,0,0|3,0,0]=4 6455 B12R0.251 CCCOCCNCC(=O)C(=O)C 34a_100161115042_100011261029 [0,1,0,0,0,0|3,0,0]=4 6456 B12R0.251 CCCOCCNCC(=O)C(C)C 2230a_100161115042_100000753385 [0,1,0,0,0,0|3,0,0]=4 6457 B12R0.251 CCCOCCNCC(=O)C(C)C 34a_100161115042_100000753385 [0,1,0,0,0,0|3,0,0]=4 6458 B12R0.251 CCCOCCNCC(=O)N(C)C 2230a_100015183351_100011215938 [0,1,0,0,0,0|3,0,0]=4 6459 B12R0.251 CCCOCCNCC(=O)N(C)C 2230a_100161115042_100000185267 [0,1,0,0,0,0|3,0,0]=4 6460 B12R0.251 CCCOCCNCC(=O)N(C)C 34a_100161115042_100000692301 [0,1,0,0,0,0|3,0,0]=4 6461 B12R0.251 CCCOCCOCC(=O)C(=O)C 34a_100000752267_100011261029 [0,1,0,0,0,0|3,0,0]=4 6462 B12R0.251 CCCOCCOCC(=O)C(C)C 34a_100000752267_100000753385 [0,1,0,0,0,0|3,0,0]=4 6463 B12R0.251 CCCOCCOCC(=O)C(C)C 7a_100000752267_100000753385 [0,1,0,0,0,0|3,0,0]=4 6464 B12R0.251 CCCOCCOCC(=O)N(C)C 34a_100000752267_100000692301 [0,1,0,0,0,0|3,0,0]=4 6465 B12R0.251 CCCOCCOCC(=O)N(C)C 7a_100000752267_100000692301 [0,1,0,0,0,0|3,0,0]=4 6466 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011215938_100011261029 [0,1,0,0,0,0|3,0,0]=4 6467 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011261029_100011215938 [0,1,0,0,0,0|3,0,0]=4 6468 B12R0.251 CCCOCCSCC(=O)C(C)C 62a_100000753385_100011215938 [0,1,0,0,0,0|3,0,0]=4 6469 B12R0.251 CCCOCCSCC(=O)C(C)C 62a_100011215938_100000753385 [0,1,0,0,0,0|3,0,0]=4 6470 B12R0.251 CCCOCCSCC(=O)N(C)C 62a_100000692301_100011215938 [0,1,0,0,0,0|3,0,0]=4 6471 B12R0.251 CCCOCCSCC(=O)N(C)C 62a_100011215938_100000692301 [0,1,0,0,0,0|3,0,0]=4 6472 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000210303_100000752486 [0,1,0,0,0,0|2,0,0]=3 6473 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000752486_100000210303 [0,1,0,0,0,0|2,0,0]=3 6474 B12R0.251 CCCSCCNCC(=O)C(C)C 2230a_100020603323_100000753385 [0,1,0,0,0,0|3,0,0]=4 6475 B12R0.251 CCCSCCNCC(=O)N(C)C 2230a_100020603323_100000185267 [0,1,0,0,0,0|3,0,0]=4 6476 B12R0.251 CCCSCCOCC(=O)C(=O)C 34a_200000230433_100011261029 [0,1,0,0,0,0|3,0,0]=4 6477 B12R0.251 CCCSCCOCC(=O)C(C)C 34a_200000230433_100000753385 [0,1,0,0,0,0|3,0,0]=4 6478 B12R0.251 CCCSCCOCC(=O)C(C)C 7a_200000230433_100000753385 [0,1,0,0,0,0|3,0,0]=4 6479 B12R0.251 CCCSCCOCC(=O)N(C)C 34a_200000230433_100000692301 [0,1,0,0,0,0|3,0,0]=4 6480 B12R0.251 CCCSCCOCC(=O)N(C)C 7a_200000230433_100000692301 [0,1,0,0,0,0|3,0,0]=4 6481 B12R0.251 CCOCCCNCC(=O)C(=O)C 34a_100000210961_100011261029 [0,1,0,0,0,0|3,0,0]=4 6482 B12R0.251 CCOCCCNCC(=O)C(C)C 2230a_100000210961_100000753385 [0,1,0,0,0,0|3,0,0]=4 6483 B12R0.251 CCOCCCNCC(=O)C(C)C 34a_100000210961_100000753385 [0,1,0,0,0,0|3,0,0]=4 6484 B12R0.251 CCOCCCNCC(=O)N(C)C 2230a_100000210961_100000185267 [0,1,0,0,0,0|3,0,0]=4 6485 B12R0.251 CCOCCCNCC(=O)N(C)C 2230a_100015183351_100012232248 [0,1,0,0,0,0|3,0,0]=4 6486 B12R0.251 CCOCCCNCC(=O)N(C)C 34a_100000210961_100000692301 [0,1,0,0,0,0|3,0,0]=4 6487 B12R0.251 CCOCCCOCC(=O)C(=O)C 34a_100000757476_100011261029 [0,1,0,0,0,0|3,0,0]=4 6488 B12R0.251 CCOCCCOCC(=O)C(C)C 34a_100000757476_100000753385 [0,1,0,0,0,0|3,0,0]=4 6489 B12R0.251 CCOCCCOCC(=O)C(C)C 7a_100000757476_100000753385 [0,1,0,0,0,0|3,0,0]=4 6490 B12R0.251 CCOCCCOCC(=O)N(C)C 34a_100000757476_100000692301 [0,1,0,0,0,0|3,0,0]=4 6491 B12R0.251 CCOCCCOCC(=O)N(C)C 7a_100000757476_100000692301 [0,1,0,0,0,0|3,0,0]=4 6492 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100011261029_100012232248 [0,1,0,0,0,0|3,0,0]=4 6493 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100012232248_100011261029 [0,1,0,0,0,0|3,0,0]=4 6494 B12R0.251 CCOCCCSCC(=O)C(C)C 62a_100000753385_100012232248 [0,1,0,0,0,0|3,0,0]=4 6495 B12R0.251 CCOCCCSCC(=O)C(C)C 62a_100012232248_100000753385 [0,1,0,0,0,0|3,0,0]=4 6496 B12R0.251 CCOCCCSCC(=O)N(C)C 62a_100000692301_100012232248 [0,1,0,0,0,0|3,0,0]=4 6497 B12R0.251 CCOCCCSCC(=O)N(C)C 62a_100012232248_100000692301 [0,1,0,0,0,0|3,0,0]=4 6498 B12R0.251 CCOCCNCCC(=O)N(C)C 2230a_100000738053_100011215890 [0,1,0,0,0,0|3,0,0]=4 6499 B12R0.251 CCOCCNCCC(=O)N(C)C 2230a_102516460346_100000737620 [0,1,0,0,0,0|3,0,0]=4 6500 B12R0.251 CCOCCOCCC(=O)C(C)C 1458a_100000210198_100011211534 [0,1,0,0,0,0|3,0,0]=4 6501 B12R0.251 CCOCCOCCC(=O)C(C)F 1458a_100000062450_100011211534 [0,1,0,0,0,0|3,0,0]=4 6502 B12R0.251 CCOCCOCCC(=O)N(C)C 34a_200000747469_100000210147 [0,1,0,0,0,0|3,0,0]=4 6503 B12R0.251 CCOCCOCCC(=O)N(C)C 7a_100000210136_100000737620 [0,1,0,0,0,0|3,0,0]=4 6504 B12R0.251 CCOCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011211534 [0,1,0,0,0,0|3,0,0]=4 6505 B12R0.251 CCOCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011211534 [0,1,0,0,0,0|3,0,0]=4 6506 B12R0.251 CCOCCSCCC(=O)N(C)C 62a_100000210147_100000737620 [0,1,0,0,0,0|3,0,0]=4 6507 B12R0.251 CCOCCSCCC(=O)N(C)C 62a_100000737620_100011215890 [0,1,0,0,0,0|3,0,0]=4 6508 B12R0.251 CCOCSCCCC(=O)N(C)C 62a_100000737642_100000739092 [0,1,0,0,0,0|3,0,0]=4 6509 B12R0.251 CCOCSCCCC(=O)N(C)C 62a_100000739092_100000737642 [0,1,0,0,0,0|3,0,0]=4 6510 B12R0.251 CCSCCCOCC(=O)C(=O)C 34a_100011216438_100011261029 [0,1,0,0,0,0|3,0,0]=4 6511 B12R0.251 CCSCCCOCC(=O)C(C)C 34a_100011216438_100000753385 [0,1,0,0,0,0|3,0,0]=4 6512 B12R0.251 CCSCCCOCC(=O)C(C)C 7a_100011216438_100000753385 [0,1,0,0,0,0|3,0,0]=4 6513 B12R0.251 CCSCCCOCC(=O)N(C)C 34a_100011216438_100000692301 [0,1,0,0,0,0|3,0,0]=4 6514 B12R0.251 CCSCCCOCC(=O)N(C)C 7a_100011216438_100000692301 [0,1,0,0,0,0|3,0,0]=4 6515 B12R0.251 CCSCCNCCC(=O)N(C)C 2230a_100000106463_100000737620 [0,1,0,0,0,0|3,0,0]=4 6516 B12R0.251 CCSCCNCCC(=O)N(C)C 2230a_100000738053_100000757381 [0,1,0,0,0,0|3,0,0]=4 6517 B12R0.251 CCSCCOCCC(=O)N(C)C 34a_200000747469_100000757381 [0,1,0,0,0,0|3,0,0]=4 6518 B12R0.251 CCSCCOCCC(=O)N(C)C 7a_100000212035_100000737620 [0,1,0,0,0,0|3,0,0]=4 6519 B12R0.251 CCSCCSCCC(=O)N(C)C 62a_100000737620_100000757381 [0,1,0,0,0,0|3,0,0]=4 6520 B12R0.251 CCSCCSCCC(=O)N(C)C 62a_100000757381_100000737620 [0,1,0,0,0,0|3,0,0]=4 6521 B12R0.251 CN(C)C(=O)CCCCCCCO 240690a_100102631434_100011219782 [0,1,0,0,0,0|2,0,0]=3 6522 B12R0.251 CN(C)C(=O)CCCCNCCF 34a_100000724931_100000752486 [0,1,0,0,0,0|3,0,0]=4 6523 B12R0.251 CN(C)C(=O)CCCCNCCO 34a_100016990907_100000752486 [0,1,0,0,0,0|3,0,0]=4 6524 B12R0.251 CN(C)C(=O)CCCCOCCBr 34a_100000211926_100000752486 [0,1,0,0,0,0|3,0,0]=4 6525 B12R0.251 CN(C)C(=O)CCCCOCCN 34a_100000210304_100000752486 [0,1,0,0,0,0|3,0,0]=4 6526 B12R0.251 CN(C)C(=O)CCCCSCCF 62a_100000752486_100011217306 [0,1,0,0,0,0|3,0,0]=4 6527 B12R0.251 CN(C)C(=O)CCCCSCCF 62a_100011217306_100000752486 [0,1,0,0,0,0|3,0,0]=4 6528 B12R0.251 CN(C)C(=O)CCCCSCCO 62a_100000211926_100000752486 [0,1,0,0,0,0|3,0,0]=4 6529 B12R0.251 CN(C)C(=O)CCCCSCCO 62a_100000752486_100000211926 [0,1,0,0,0,0|3,0,0]=4 6530 B12R0.251 CN(C)C(=O)CCCNCCCF 2230a_100015189416_100000737642 [0,1,0,0,0,0|3,0,0]=4 6531 B12R0.251 CN(C)C(=O)CCCNCCCF 2230a_200000744827_100011934791 [0,1,0,0,0,0|3,0,0]=4 6532 B12R0.251 CN(C)C(=O)CCCNCCCO 2230a_200000744827_100000230001 [0,1,0,0,0,0|3,0,0]=4 6533 B12R0.251 CN(C)C(=O)CCCSCCCF 62a_100000737642_100011934791 [0,1,0,0,0,0|3,0,0]=4 6534 B12R0.251 CN(C)C(=O)CCCSCCCF 62a_100011934791_100000737642 [0,1,0,0,0,0|3,0,0]=4 6535 B12R0.251 CN(C)C(=O)CCCSCCCO 62a_100000737642_100011215043 [0,1,0,0,0,0|3,0,0]=4 6536 B12R0.251 CN(C)C(=O)CCCSCCCO 62a_100011215043_100000737642 [0,1,0,0,0,0|3,0,0]=4 6537 B12R0.251 CN(C)C(=O)CCNCCCCF 2230a_100000738053_100000729493 [0,1,0,0,0,0|3,0,0]=4 6538 B12R0.251 CN(C)C(=O)CCNCCCCO 2230a_100000738053_100000210776 [0,1,0,0,0,0|3,0,0]=4 6539 B12R0.251 CN(C)C(=O)CCNCCCCO 2230a_100000750430_100000737620 [0,1,0,0,0,0|3,0,0]=4 6540 B12R0.251 CN(C)C(=O)CCOCCCCCl 7a_100000210776_100000737620 [0,1,0,0,0,0|3,0,0]=4 6541 B12R0.251 CN(C)C(=O)CCOCCCCF 34a_200000747469_100000729493 [0,1,0,0,0,0|3,0,0]=4 6542 B12R0.251 CN(C)C(=O)CCOCCCCF 7a_100011995726_100000737620 [0,1,0,0,0,0|3,0,0]=4 6543 B12R0.251 CN(C)C(=O)CCOCCCCO 34a_200000747469_100011216708 [0,1,0,0,0,0|3,0,0]=4 6544 B12R0.251 CN(C)C(=O)CCSCCCCF 62a_100000729493_100000737620 [0,1,0,0,0,0|3,0,0]=4 6545 B12R0.251 CN(C)C(=O)CCSCCCCF 62a_100000737620_100000729493 [0,1,0,0,0,0|3,0,0]=4 6546 B12R0.251 CN(C)C(=O)CCSCCCCO 62a_100000210776_100000737620 [0,1,0,0,0,0|3,0,0]=4 6547 B12R0.251 CN(C)C(=O)CCSCCCCO 62a_100000737620_100000210776 [0,1,0,0,0,0|3,0,0]=4 6548 B12R0.251 CN(C)C(=O)CNCCCCCF 2230a_100015183351_100000729378 [0,1,0,0,0,0|3,0,0]=4 6549 B12R0.251 CN(C)C(=O)CNCCCCCO 2230a_100000762737_100000185267 [0,1,0,0,0,0|3,0,0]=4 6550 B12R0.251 CN(C)C(=O)CNCCCCCO 2230a_100015183351_100000746330 [0,1,0,0,0,0|3,0,0]=4 6551 B12R0.251 CN(C)C(=O)CNCCCCCO 34a_100000762737_100000692301 [0,1,0,0,0,0|3,0,0]=4 6552 B12R0.251 CN(C)C(=O)COCCCCCBr 34a_100000746331_100000692301 [0,1,0,0,0,0|3,0,0]=4 6553 B12R0.251 CN(C)C(=O)COCCCCCBr 7a_100000746331_100000692301 [0,1,0,0,0,0|3,0,0]=4 6554 B12R0.251 CN(C)C(=O)COCCCCCCl 34a_100000746330_100000692301 [0,1,0,0,0,0|3,0,0]=4 6555 B12R0.251 CN(C)C(=O)COCCCCCCl 7a_100000746330_100000692301 [0,1,0,0,0,0|3,0,0]=4 6556 B12R0.251 CN(C)C(=O)COCCCCCI 34a_200012148887_100000692301 [0,1,0,0,0,0|3,0,0]=4 6557 B12R0.251 CN(C)C(=O)COCCCCCI 7a_200012148887_100000692301 [0,1,0,0,0,0|3,0,0]=4 6558 B12R0.251 CN(C)C(=O)COCCCCCN 34a_100000762737_100000692301 [0,1,0,0,0,0|3,0,0]=4 6559 B12R0.251 CN(C)C(=O)CSCCCCCF 62a_100000692301_100000729378 [0,1,0,0,0,0|3,0,0]=4 6560 B12R0.251 CN(C)C(=O)CSCCCCCF 62a_100000729378_100000692301 [0,1,0,0,0,0|3,0,0]=4 6561 B12R0.251 CN(C)C(=O)CSCCCCCO 62a_100000692301_100000746330 [0,1,0,0,0,0|3,0,0]=4 6562 B12R0.251 CN(C)C(=O)CSCCCCCO 62a_100000746330_100000692301 [0,1,0,0,0,0|3,0,0]=4 6563 B12R0.251 COCCCCCCC(=O)C(C)C 1458a_100000210198_100011998445 [0,1,0,0,0,0|2,0,0]=3 6564 B12R0.251 COCCCCCCC(=O)C(C)F 1458a_100000062450_100011998445 [0,1,0,0,0,0|2,0,0]=3 6565 B12R0.251 COCCCCCCC(=O)C(O)O 1458a_100000233687_100011998445 [0,1,0,0,0,0|3,0,0]=4 6566 B12R0.251 COCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011998445 [0,1,0,0,0,0|2,0,0]=3 6567 B12R0.251 COCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011998445 [0,1,0,0,0,0|2,0,0]=3 6568 B12R0.251 COCCCCCNC(=O)C(C)C 11a_100000747528_100000210198 [0,1,0,0,0,0|3,0,0]=4 6569 B12R0.251 COCCCCCNC(=O)C(C)C 1626a_100000747528_100000210198 [0,1,0,0,0,0|3,0,0]=4 6570 B12R0.251 COCCCCCNC(=O)C(C)C 240690a_100000747528_100000210198 [0,1,0,0,0,0|3,0,0]=4 6571 B12R0.251 COCCCCCNC(=O)C(C)C 527a_100000747528_100000210198 [0,1,0,0,0,0|3,0,0]=4 6572 B12R0.251 COCCCCCNC(=O)C(C)F 11a_100000747528_100000062450 [0,1,0,0,0,0|3,0,0]=4 6573 B12R0.251 COCCCCCNC(=O)C(C)F 1626a_100000747528_100000062450 [0,1,0,0,0,0|3,0,0]=4 6574 B12R0.251 COCCCCCNC(=O)C(C)F 240690a_100000747528_100000062450 [0,1,0,0,0,0|3,0,0]=4 6575 B12R0.251 COCCCCCNC(=O)C(C)F 527a_100000747528_100000062450 [0,1,0,0,0,0|3,0,0]=4 6576 B12R0.251 COCCCCCNC(=O)N(C)C 2708a_100000747528_100102631434 [0,1,0,0,0,0|3,0,0]=4 6577 B12R0.251 COCCCCCNC(=O)[C@@H](C)O 240690a_100000747528_100000717761 [0,1,0,0,0,0|3,0,0]=4 6578 B12R0.251 COCCCCCNC(=O)[C@H](C)O 1626a_100000747528_217856618621 [0,1,0,0,0,0|3,0,0]=4 6579 B12R0.251 COCCCCCNC(=O)[C@H](C)O 240690a_100000747528_217856618621 [0,1,0,0,0,0|3,0,0]=4 6580 B12R0.251 COCCCCNCC(=O)N(C)C 2230a_100015183351_100000730899 [0,1,0,0,0,0|3,0,0]=4 6581 B12R0.251 COCCCCOCC(=O)C(=O)C 34a_100000740925_100011261029 [0,1,0,0,0,0|3,0,0]=4 6582 B12R0.251 COCCCCOCC(=O)C(C)C 34a_100000740925_100000753385 [0,1,0,0,0,0|3,0,0]=4 6583 B12R0.251 COCCCCOCC(=O)N(C)C 34a_100000740925_100000692301 [0,1,0,0,0,0|3,0,0]=4 6584 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100000730899_100011261029 [0,1,0,0,0,0|3,0,0]=4 6585 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100011261029_100000730899 [0,1,0,0,0,0|3,0,0]=4 6586 B12R0.251 COCCCCSCC(=O)C(C)C 62a_100000730899_100000753385 [0,1,0,0,0,0|3,0,0]=4 6587 B12R0.251 COCCCCSCC(=O)C(C)C 62a_100000753385_100000730899 [0,1,0,0,0,0|3,0,0]=4 6588 B12R0.251 COCCCCSCC(=O)N(C)C 62a_100000692301_100000730899 [0,1,0,0,0,0|3,0,0]=4 6589 B12R0.251 COCCCCSCC(=O)N(C)C 62a_100000730899_100000692301 [0,1,0,0,0,0|3,0,0]=4 6590 B12R0.251 COCCCNCCC(=O)N(C)C 2230a_100000738053_100000740836 [0,1,0,0,0,0|3,0,0]=4 6591 B12R0.251 COCCCOCCC(=O)N(C)C 34a_200000747469_100000740836 [0,1,0,0,0,0|3,0,0]=4 6592 B12R0.251 COCCCSCCC(=O)N(C)C 62a_100000709357_100000737620 [0,1,0,0,0,0|3,0,0]=4 6593 B12R0.251 COCCCSCCC(=O)N(C)C 62a_100000737620_100000709357 [0,1,0,0,0,0|3,0,0]=4 6594 B12R0.251 COCCNCCCC(=O)N(C)C 2230a_100000209980_100000737642 [0,1,0,0,0,0|3,0,0]=4 6595 B12R0.251 COCCNCCCC(=O)N(C)C 2230a_200000744827_100011201679 [0,1,0,0,0,0|3,0,0]=4 6596 B12R0.251 COCCOCCCC(=O)C(C)C 1458a_100000210198_100011216529 [0,1,0,0,0,0|3,0,0]=4 6597 B12R0.251 COCCOCCCC(=O)C(C)F 1458a_100000062450_100011216529 [0,1,0,0,0,0|3,0,0]=4 6598 B12R0.251 COCCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100011216529 [0,1,0,0,0,0|3,0,0]=4 6599 B12R0.251 COCCOCCCC(=O)[C@H](C)O 1458a_217856618621_100011216529 [0,1,0,0,0,0|3,0,0]=4 6600 B12R0.251 COCCSCCCC(=O)N(C)C 62a_100000233755_100000737642 [0,1,0,0,0,0|3,0,0]=4 6601 B12R0.251 COCCSCCCC(=O)N(C)C 62a_100000737642_100000233755 [0,1,0,0,0,0|3,0,0]=4 6602 B12R0.251 COCSCCCCC(=O)N(C)C 62a_100000752486_100000766300 [0,1,0,0,0,0|3,0,0]=4 6603 B12R0.251 COCSCCCCC(=O)N(C)C 62a_100000766300_100000752486 [0,1,0,0,0,0|3,0,0]=4 6604 B12R0.251 CSCCCCOCC(=O)C(=O)C 34a_100011217163_100011261029 [0,1,0,0,0,0|3,0,0]=4 6605 B12R0.251 CSCCCCOCC(=O)C(C)C 34a_100011217163_100000753385 [0,1,0,0,0,0|3,0,0]=4 6606 B12R0.251 CSCCCCOCC(=O)C(C)C 7a_100011217163_100000753385 [0,1,0,0,0,0|3,0,0]=4 6607 B12R0.251 CSCCCCOCC(=O)N(C)C 34a_100011217163_100000692301 [0,1,0,0,0,0|3,0,0]=4 6608 B12R0.251 CSCCCCOCC(=O)N(C)C 7a_100011217163_100000692301 [0,1,0,0,0,0|3,0,0]=4 6609 B12R0.251 CSCCCNCCC(=O)N(C)C 2230a_100000749238_100000737620 [0,1,0,0,0,0|3,0,0]=4 6610 B12R0.251 CSCCCOCCC(=O)N(C)C 7a_100000690336_100000737620 [0,1,0,0,0,0|3,0,0]=4 6611 B12R0.251 CSCCNCCCC(=O)N(C)C 2230a_100020590264_100000737642 [0,1,0,0,0,0|3,0,0]=4 6612 B12R0.251 CSCCNCCCC(=O)N(C)C 2230a_200000744827_100000751147 [0,1,0,0,0,0|3,0,0]=4 6613 B12R0.251 CSCCOCCCC(=O)N(C)C 7a_100000230434_100000737642 [0,1,0,0,0,0|3,0,0]=4 6614 B12R0.251 CSCCSCCCC(=O)N(C)C 62a_100000212216_100000737642 [0,1,0,0,0,0|3,0,0]=4 6615 B12R0.251 CSCCSCCCC(=O)N(C)C 62a_100000737642_100000751147 [0,1,0,0,0,0|3,0,0]=4 6616 B12R0.251 CSCSCCCCC(=O)N(C)C 62a_100000752486_100011218213 [0,1,0,0,0,0|3,0,0]=4 6617 B12R0.251 CSCSCCCCC(=O)N(C)C 62a_100011218213_100000752486 [0,1,0,0,0,0|3,0,0]=4 6618 B12R0.251 C[C@@H](O)C(=O)CCCCCCC#N 1458a_100000717761_100009813337 [0,1,0,0,0,0|2,0,1]=4 6619 B12R0.251 C[C@@H](O)C(=O)CCCCCCCO 1458a_100000717761_100000760002 [0,1,0,0,0,0|2,0,0]=3 6620 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO 240690a_100000686447_100000717761 [0,1,0,0,0,0|3,0,0]=4 6621 B12R0.251 C[C@H](O)C(=O)CCCCCCC#N 1458a_217856618621_100009813337 [0,1,0,0,0,0|2,0,1]=4 6622 B12R0.251 C[C@H](O)C(=O)CCCCCCCO 1458a_217856618621_100000760002 [0,1,0,0,0,0|2,0,0]=3 6623 B12R0.251 C[C@H](O)C(=O)NCCCCCCO 240690a_100000686447_217856618621 [0,1,0,0,0,0|3,0,0]=4 6624 B12R0.251 O=C(CCCCCCCO)C(O)O 1458a_100000233687_100000760002 [0,1,0,0,0,0|3,0,0]=4 6625 B12R0.276 C#CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000184674 [0,1,0,0,0,0|0,0,3]=4 6626 B12R0.276 C#CCC(=O)CCCCC(=O)OC 1458a_100011220946_100000204269 [0,1,0,0,0,0|0,0,3]=4 6627 B12R0.276 C#CCC(C)OCCCC(=O)OC 34a_100000685586_100000742333 [0,1,0,0,0,0|1,0,2]=4 6628 B12R0.276 C#CCC(C)OCCCC(=O)OC 7a_100000685586_100011218270 [0,1,0,0,0,0|1,0,2]=4 6629 B12R0.276 C#CCN(C)CCCCC(=O)OC 2230a_100000225692_100000204269 [0,1,0,0,0,0|1,0,2]=4 6630 B12R0.276 C#CCN(C)CCCCC(=O)OC 34a_100000225692_100000204269 [0,1,0,0,0,0|1,0,2]=4 6631 B12R0.276 C/C=C/C(C)OCCCC(=O)OC 34a_200102604097_100000742333 [0,1,0,0,0,0|1,0,2]=4 6632 B12R0.276 C=CCC(=O)CCCCC(=O)OC 1458a_100000210193_100000204269 [0,1,0,0,0,0|0,0,3]=4 6633 B12R0.276 C=CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210623 [0,1,0,0,0,0|0,0,3]=4 6634 B12R0.276 C=CCC(C)COCCC(=O)OC 34a_100009832082_100000742370 [0,1,0,0,0,0|1,0,2]=4 6635 B12R0.276 C=CCC(C)COCCC(=O)OC 7a_100009832082_100000204255 [0,1,0,0,0,0|1,0,2]=4 6636 B12R0.276 C=CCN(C)CCCCC(=O)OC 2230a_100000225617_100000204269 [0,1,0,0,0,0|1,0,2]=4 6637 B12R0.276 C=CCN(C)CCCCC(=O)OC 269982a_100000225617_100000204269 [0,1,0,0,0,0|1,0,2]=4 6638 B12R0.276 C=CC[C@@H](C)OCCCC(=O)OC 34a_100000731007_100000742333 [0,1,0,0,0,0|1,0,2]=4 6639 B12R0.276 C=CC[C@@H](C)OCCCC(=O)OC 7a_100000731007_100011218270 [0,1,0,0,0,0|1,0,2]=4 6640 B12R0.276 C=CC[C@@H](N)COCCC(=O)OC 34a_100020615467_100000742370 [0,1,0,0,0,0|1,0,2]=4 6641 B12R0.276 CC#CC(=O)CCCCC(=O)OC 1458a_100000763181_100000204269 [0,1,0,0,0,0|0,0,3]=4 6642 B12R0.276 CC#CC(C)OCCCC(=O)OC 34a_100011216543_100000742333 [0,1,0,0,0,0|1,0,2]=4 6643 B12R0.276 CC=CC(=O)CCCCC(=O)OC 1458a_100000210699_100000204269 [0,1,0,0,0,0|0,0,3]=4 6644 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,1,0,0,0,0|0,0,1]=2 6645 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,1,0,0,0,0|0,0,1]=2 6646 B12R0.276 CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210303 [0,1,0,0,0,0|1,0,1]=3 6647 B12R0.276 CCCC(=O)CCOCC(=O)OC 1458a_100000211992_100000090808 [0,1,0,0,0,0|1,0,1]=3 6648 B12R0.276 CCCC(=O)CNCCC(=O)NC 2230a_100000738227_100000747444 [0,1,0,0,0,0|2,0,1]=4 6649 B12R0.276 CCCC(=O)CSCCC(=O)NC 62a_100000737683_100000747444 [0,1,0,0,0,0|2,0,1]=4 6650 B12R0.276 CCCC(=O)CSCCC(=O)NC 62a_100000747444_100000737683 [0,1,0,0,0,0|2,0,1]=4 6651 B12R0.276 CCCC(=O)CSCCC(=O)OC 62a_100000204255_100000747444 [0,1,0,0,0,0|1,0,1]=3 6652 B12R0.276 CCCC(=O)CSCCC(=O)OC 62a_100000747444_100000204255 [0,1,0,0,0,0|1,0,1]=3 6653 B12R0.276 CCCC(=O)CSCOC(=O)OC 62a_100000747444_100000139417 [0,1,0,0,0,0|2,0,1]=4 6654 B12R0.276 CCCC(=O)NCCCC(=O)NC 11a_100000740002_100000211992 [0,1,0,0,0,0|2,0,1]=4 6655 B12R0.276 CCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000211992 [0,1,0,0,0,0|2,0,1]=4 6656 B12R0.276 CCCC(=O)NCCCC(=O)NC 527a_100000740002_100000211992 [0,1,0,0,0,0|2,0,1]=4 6657 B12R0.276 CCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000211992 [0,1,0,0,0,0|1,0,1]=3 6658 B12R0.276 CCCC(=O)OCSCC(=O)OC 62a_100000747449_100000034017 [0,1,0,0,0,0|2,0,1]=4 6659 B12R0.276 CCCC(C)CCOCC(=O)CC 7a_100011217855_100000747405 [0,1,0,0,0,0|2,0,0]=3 6660 B12R0.276 CCCC(C)CCOCC(=O)NC 34a_100011217855_100000183359 [0,1,0,0,0,0|2,0,0]=3 6661 B12R0.276 CCCC(C)CCOCC(=O)NC 7a_100011217855_100000183359 [0,1,0,0,0,0|2,0,0]=3 6662 B12R0.276 CCCC(C)CCOCC(=O)OC 34a_100011217855_100000747449 [0,1,0,0,0,0|1,0,0]=2 6663 B12R0.276 CCCC(C)CCOCC(=O)OC 7a_100011217855_100000747449 [0,1,0,0,0,0|1,0,0]=2 6664 B12R0.276 CCCC(C)CNCCC(=O)NC 2230a_100000738227_100011216630 [0,1,0,0,0,0|2,0,0]=3 6665 B12R0.276 CCCC(C)CNCCC(=O)NC 270004a_100000738227_100000243154 [0,1,0,0,0,0|2,0,0]=3 6666 B12R0.276 CCCC(C)CNCCC(=O)NC 34a_100000738227_100011216630 [0,1,0,0,0,0|2,0,0]=3 6667 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000688023_100012179268 [0,1,0,0,0,0|2,0,0]=3 6668 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000754576_100011216630 [0,1,0,0,0,0|2,0,0]=3 6669 B12R0.276 CCCC(C)COCCC(=O)NC 7a_100000688023_100000737683 [0,1,0,0,0,0|2,0,0]=3 6670 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [0,1,0,0,0,0|1,0,0]=2 6671 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [0,1,0,0,0,0|1,0,0]=2 6672 B12R0.276 CCCC(C)COCCC(C)OC 7a_100000764861_100011216630 [0,1,0,0,0,0|2,0,1]=4 6673 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100000737683_100011216630 [0,1,0,0,0,0|2,0,0]=3 6674 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100011216630_100000737683 [0,1,0,0,0,0|2,0,0]=3 6675 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100000204255_100011216630 [0,1,0,0,0,0|1,0,0]=2 6676 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100011216630_100000204255 [0,1,0,0,0,0|1,0,0]=2 6677 B12R0.276 CCCC(C)CSCOC(=O)OC 62a_100011216630_100000139417 [0,1,0,0,0,0|2,0,0]=3 6678 B12R0.276 CCCC(C)NC/C=C/C(=O)OC 2230a_100000741246_100000742655 [0,1,0,0,0,0|1,0,2]=4 6679 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000740002_100000766640 [0,1,0,0,0,0|2,0,0]=3 6680 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000741246_100000741757 [0,1,0,0,0,0|2,0,0]=3 6681 B12R0.276 CCCC(C)NCCCC(=O)NC 270004a_100000740002_100000211909 [0,1,0,0,0,0|2,0,0]=3 6682 B12R0.276 CCCC(C)NCCCC(=O)NC 34a_100000740002_100000766640 [0,1,0,0,0,0|2,0,0]=3 6683 B12R0.276 CCCC(C)NCCCC(=O)OC 2230a_100000741246_100011218270 [0,1,0,0,0,0|1,0,0]=2 6684 B12R0.276 CCCC(C)NCCNC(=O)CC 270004a_100132302217_100000211909 [0,1,0,0,0,0|3,0,0]=4 6685 B12R0.276 CCCC(C)NCCNC(=O)CC 34a_100132302217_100000766640 [0,1,0,0,0,0|3,0,0]=4 6686 B12R0.276 CCCC(C)NCCNC(=O)NC 34a_100015205895_100000766640 [0,1,0,0,0,0|3,0,0]=4 6687 B12R0.276 CCCC(C)OC/C=C/C(=O)OC 34a_100000764384_100000742655 [0,1,0,0,0,0|1,0,2]=4 6688 B12R0.276 CCCC(C)OC/C=C/C(=O)OC 7a_100000764384_100000742655 [0,1,0,0,0,0|1,0,2]=4 6689 B12R0.276 CCCC(C)OCCCC(=O)NC 34a_100000764384_100000741757 [0,1,0,0,0,0|2,0,0]=3 6690 B12R0.276 CCCC(C)OCCCC(=O)NC 7a_100000764384_100000741757 [0,1,0,0,0,0|2,0,0]=3 6691 B12R0.276 CCCC(C)OCCCC(=O)NN 34a_100000211488_100000766640 [0,1,0,0,0,0|3,0,0]=4 6692 B12R0.276 CCCC(C)OCCCC(=O)OC 34a_100000764384_100000742333 [0,1,0,0,0,0|1,0,0]=2 6693 B12R0.276 CCCC(C)OCCCC(=O)OC 7a_100000764384_100011218270 [0,1,0,0,0,0|1,0,0]=2 6694 B12R0.276 CCCC(C)OCCNC(=O)CC 34a_200000158885_100000766640 [0,1,0,0,0,0|3,0,0]=4 6695 B12R0.276 CCCC(C)OCCNC(=O)CC 7a_200000158885_100000766640 [0,1,0,0,0,0|3,0,0]=4 6696 B12R0.276 CCCC(C)OCCNC(=O)OC 34a_100000757965_100000766640 [0,1,0,0,0,0|2,0,0]=3 6697 B12R0.276 CCCC(C)OCCOC(=O)CC 7a_200000031056_100000766640 [0,1,0,0,0,0|3,0,0]=4 6698 B12R0.276 CCCC(C)OCCOC(=O)NC 34a_100000764384_200011997002 [0,1,0,0,0,0|3,0,0]=4 6699 B12R0.276 CCCC(C)OCCOC(=O)NC 7a_100000764384_200011997002 [0,1,0,0,0,0|3,0,0]=4 6700 B12R0.276 CCCC(C)OCCOC(=O)OC 34a_100010262106_100000766640 [0,1,0,0,0,0|2,0,0]=3 6701 B12R0.276 CCCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000766640 [0,1,0,0,0,0|1,0,2]=4 6702 B12R0.276 CCCC(C)SC/C=C/C(=O)OC 62a_100000766640_100000742655 [0,1,0,0,0,0|1,0,2]=4 6703 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000741757_100000766640 [0,1,0,0,0,0|2,0,0]=3 6704 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000766640_100000741757 [0,1,0,0,0,0|2,0,0]=3 6705 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100000766640_100011218270 [0,1,0,0,0,0|1,0,0]=2 6706 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100011218270_100000766640 [0,1,0,0,0,0|1,0,0]=2 6707 B12R0.276 CCCC(C)SCCOC(=O)NC 62a_100000766640_200011997002 [0,1,0,0,0,0|3,0,0]=4 6708 B12R0.276 CCCC(C)SCCOC(=O)NC 62a_200011997002_100000766640 [0,1,0,0,0,0|3,0,0]=4 6709 B12R0.276 CCCN(C)CCCCC(=O)OC 2230a_100000747261_100000204269 [0,1,0,0,0,0|1,0,0]=2 6710 B12R0.276 CCCN(C)CCCCC(=O)OC 269982a_100000747261_100000204269 [0,1,0,0,0,0|1,0,0]=2 6711 B12R0.276 CCCN(C)CCOCC(=O)OC 2230a_100000747261_100000090808 [0,1,0,0,0,0|2,0,0]=3 6712 B12R0.276 CCC[C@H](N)CCOCC(=O)NC 34a_100015193777_100000183359 [0,1,0,0,0,0|2,0,0]=3 6713 B12R0.276 CCC[C@H](N)CCOCC(=O)OC 34a_100015193777_100000747449 [0,1,0,0,0,0|1,0,0]=2 6714 B12R0.276 CCC[C@H](N)COCCC(=O)NC 34a_100000732646_100012179268 [0,1,0,0,0,0|2,0,0]=3 6715 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [0,1,0,0,0,0|1,0,0]=2 6716 B12R0.276 CCNC(=O)CCCCC(=O)OC 11a_100015525214_100000695723 [0,1,0,0,0,0|1,0,1]=3 6717 B12R0.276 CCNC(=O)CCCCC(=O)OC 240690a_100015525214_100000695723 [0,1,0,0,0,0|1,0,1]=3 6718 B12R0.276 CCNC(=O)CCCCC(=O)OC 527a_100015525214_100000695723 [0,1,0,0,0,0|1,0,1]=3 6719 B12R0.276 CCNC(=O)CCCNC(=O)OC 11a_100015525214_100000753017 [0,1,0,0,0,0|2,0,1]=4 6720 B12R0.276 CCNC(=O)CCCNC(=O)OC 240690a_100015525214_100000753017 [0,1,0,0,0,0|2,0,1]=4 6721 B12R0.276 CCNC(=O)CCCNC(=O)OC 527a_100015525214_100000753017 [0,1,0,0,0,0|2,0,1]=4 6722 B12R0.276 CCNC(=O)CCNCC(=O)OC 34a_100025743525_100000747449 [0,1,0,0,0,0|2,0,1]=4 6723 B12R0.276 CCNC(=O)CCSCC(=O)OC 62a_100000737597_100000747449 [0,1,0,0,0,0|2,0,1]=4 6724 B12R0.276 CCNC(=O)CCSCC(=O)OC 62a_100000747449_100000737597 [0,1,0,0,0,0|2,0,1]=4 6725 B12R0.276 CCNC(=O)CNCCC(=O)OC 2230a_100016988866_100000204255 [0,1,0,0,0,0|2,0,1]=4 6726 B12R0.276 CCNC(=O)CSCCC(=O)OC 62a_100000183381_100000204255 [0,1,0,0,0,0|2,0,1]=4 6727 B12R0.276 CCNC(=O)CSCCC(=O)OC 62a_100000204255_100000183381 [0,1,0,0,0,0|2,0,1]=4 6728 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [0,1,0,0,0,0|2,0,1]=4 6729 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [0,1,0,0,0,0|2,0,1]=4 6730 B12R0.276 CCOC(=O)CCCCC(=O)NC 11a_106832991635_100011217402 [0,1,0,0,0,0|2,0,1]=4 6731 B12R0.276 CCOC(=O)CCCCC(=O)NC 1626a_100102657272_100011217402 [0,1,0,0,0,0|2,0,1]=4 6732 B12R0.276 CCOC(=O)CCCCC(=O)NC 240690a_100102657272_100011217402 [0,1,0,0,0,0|2,0,1]=4 6733 B12R0.276 CCOC(=O)CCCCC(=O)NC 527a_100102657272_100011217402 [0,1,0,0,0,0|2,0,1]=4 6734 B12R0.276 CCOC(=O)CCSCC(=O)OC 62a_100000747449_100000765890 [0,1,0,0,0,0|2,0,1]=4 6735 B12R0.276 CCOC(=O)CCSCC(=O)OC 62a_100000765890_100000747449 [0,1,0,0,0,0|2,0,1]=4 6736 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000188475_100000204255 [0,1,0,0,0,0|2,0,1]=4 6737 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000204255_100000188475 [0,1,0,0,0,0|2,0,1]=4 6738 B12R0.276 CNC(=O)CCCNC(C)CCO 2230a_100000740002_100009893172 [0,1,0,0,0,0|3,0,0]=4 6739 B12R0.276 CNC(=O)CCCNC(C)CCO 34a_100000740002_100009893172 [0,1,0,0,0,0|3,0,0]=4 6740 B12R0.276 CNC(=O)CCCNC(C)COC 2230a_100000740002_100000765312 [0,1,0,0,0,0|3,0,0]=4 6741 B12R0.276 CNC(=O)CCCNC(C)COC 270004a_100000740002_100000749346 [0,1,0,0,0,0|3,0,0]=4 6742 B12R0.276 CNC(=O)CCCNC(C)COC 34a_100000740002_100000765312 [0,1,0,0,0,0|3,0,0]=4 6743 B12R0.276 CNC(=O)CCCNC(C)CSC 270004a_100000740002_100011216314 [0,1,0,0,0,0|3,0,0]=4 6744 B12R0.276 CNC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100000741757 [0,1,0,0,0,0|3,0,0]=4 6745 B12R0.276 CNC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000741757 [0,1,0,0,0,0|3,0,0]=4 6746 B12R0.276 CNC(=O)CCCN[C@H](C)COC 2230a_100000764878_100000741757 [0,1,0,0,0,0|3,0,0]=4 6747 B12R0.276 CNC(=O)CCCOC(C)CCBr 34a_100012276601_100000741757 [0,1,0,0,0,0|3,0,0]=4 6748 B12R0.276 CNC(=O)CCCO[C@H](C)COC 34a_100011934205_100000741757 [0,1,0,0,0,0|3,0,0]=4 6749 B12R0.276 CNC(=O)CCCSC(C)CCO 62a_100000741757_100009893172 [0,1,0,0,0,0|3,0,0]=4 6750 B12R0.276 CNC(=O)CCCSC(C)CCO 62a_100009893172_100000741757 [0,1,0,0,0,0|3,0,0]=4 6751 B12R0.276 CNC(=O)CCCSC(C)COC 62a_100000741757_100000765312 [0,1,0,0,0,0|3,0,0]=4 6752 B12R0.276 CNC(=O)CCCSC(C)COC 62a_100000765312_100000741757 [0,1,0,0,0,0|3,0,0]=4 6753 B12R0.276 CNC(=O)CCNCC(O)COC 2230a_100000756049_100000737683 [0,1,0,0,0,0|3,0,0]=4 6754 B12R0.276 CNC(=O)CCNCC(O)COC 34a_100000738227_100011215053 [0,1,0,0,0,0|3,0,0]=4 6755 B12R0.276 CNC(=O)CCNCC(O)COC 34a_100000756049_100012179268 [0,1,0,0,0,0|3,0,0]=4 6756 B12R0.276 CNC(=O)CCOCC(C)CCN 34a_106354213184_100012179268 [0,1,0,0,0,0|3,0,0]=4 6757 B12R0.276 CNC(=O)CCOCC(N)COC 34a_100000724102_100012179268 [0,1,0,0,0,0|3,0,0]=4 6758 B12R0.276 CNC(=O)CCOCC(O)COC 34a_100000754576_100011215053 [0,1,0,0,0,0|3,0,0]=4 6759 B12R0.276 CNC(=O)CCSCC(O)COC 62a_100000737683_100011215053 [0,1,0,0,0,0|3,0,0]=4 6760 B12R0.276 CNC(=O)CCSCC(O)COC 62a_100011215053_100000737683 [0,1,0,0,0,0|3,0,0]=4 6761 B12R0.276 CNCC(=O)NCCCC(=O)OC 2230a_106832991635_100000230218 [0,1,0,0,0,0|2,0,1]=4 6762 B12R0.276 CNCC(=O)NCCCC(=O)OC 34a_100102657272_100000230218 [0,1,0,0,0,0|2,0,1]=4 6763 B12R0.276 CNCC(=O)NCCCC(=O)OC 7a_106832991635_100000230218 [0,1,0,0,0,0|2,0,1]=4 6764 B12R0.276 CNNC(=O)CCCCC(=O)OC 22a_100016993582_100000695723 [0,1,0,0,0,0|2,0,1]=4 6765 B12R0.276 COC(=O)CCCCC(=O)CC#N 1458a_100000695723_100011214920 [0,1,0,0,0,0|1,0,2]=4 6766 B12R0.276 COC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000204269 [0,1,0,0,0,0|1,0,2]=4 6767 B12R0.276 COC(=O)CCCCC(=O)CCF 1458a_100000695723_100011217306 [0,1,0,0,0,0|1,0,1]=3 6768 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100000695723_100000211926 [0,1,0,0,0,0|1,0,1]=3 6769 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100011216618_100000204269 [0,1,0,0,0,0|1,0,1]=3 6770 B12R0.276 COC(=O)CCCCC(=O)CSC 1458a_100000184570_100000204269 [0,1,0,0,0,0|1,0,1]=3 6771 B12R0.276 COC(=O)CCCCN(C)CC#N 2230a_100000748184_100000204269 [0,1,0,0,0,0|2,0,1]=4 6772 B12R0.276 COC(=O)CCCCN(C)CCO 2230a_100000210263_100000204269 [0,1,0,0,0,0|2,0,0]=3 6773 B12R0.276 COC(=O)CCCCN(C)CCO 269982a_100000210263_100000204269 [0,1,0,0,0,0|2,0,0]=3 6774 B12R0.276 COC(=O)CCCNC(=O)CSC 188690a_100000184769_100000184570 [0,1,0,0,0,0|2,0,1]=4 6775 B12R0.276 COC(=O)CCCNC(=O)CSC 62a_100000230218_200000210301 [0,1,0,0,0,0|2,0,1]=4 6776 B12R0.276 COC(=O)CCCNC(=O)CSC 62a_200000210301_100000230218 [0,1,0,0,0,0|2,0,1]=4 6777 B12R0.276 COC(=O)CCCNC(=O)CS[13CH3] 62a_100000230218_200025704644 [0,1,0,0,0,0|2,0,1]=4 6778 B12R0.276 COC(=O)CCCNC(=O)CS[13CH3] 62a_200025704644_100000230218 [0,1,0,0,0,0|2,0,1]=4 6779 B12R0.276 COC(=O)CCCN[C@@H](C)CC#N 2230a_100016994482_100011218270 [0,1,0,0,0,0|2,0,1]=4 6780 B12R0.276 COC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100011218270 [0,1,0,0,0,0|2,0,0]=3 6781 B12R0.276 COC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000742333 [0,1,0,0,0,0|2,0,0]=3 6782 B12R0.276 COC(=O)CCCOC(C)CCBr 34a_100012276601_100000742333 [0,1,0,0,0,0|2,0,0]=3 6783 B12R0.276 COC(=O)CCCSC(C)CC#N 62a_100009813641_100011218270 [0,1,0,0,0,0|2,0,1]=4 6784 B12R0.276 COC(=O)CCCSC(C)CC#N 62a_100011218270_100009813641 [0,1,0,0,0,0|2,0,1]=4 6785 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100009893172_100011218270 [0,1,0,0,0,0|2,0,0]=3 6786 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100011218270_100009893172 [0,1,0,0,0,0|2,0,0]=3 6787 B12R0.276 COC(=O)CCOCC(C)CCN 34a_106354213184_100000742370 [0,1,0,0,0,0|2,0,0]=3 6788 B12R0.276 COC(=O)CCSC[C@@H](O)CC#N 62a_100000001066_100000204255 [0,1,0,0,0,0|2,0,1]=4 6789 B12R0.276 COC(=O)CCSC[C@@H](O)CC#N 62a_100000204255_100000001066 [0,1,0,0,0,0|2,0,1]=4 6790 B12R0.276 COC(=O)COCCC(=O)CCO 1458a_100011216618_100000090808 [0,1,0,0,0,0|2,0,1]=4 6791 B12R0.276 COC(=O)COCCC(=O)CSC 1458a_100000184570_100000090808 [0,1,0,0,0,0|2,0,1]=4 6792 B12R0.276 COC(=O)COCCN(C)CCO 2230a_100000210263_100000090808 [0,1,0,0,0,0|3,0,0]=4 6793 B12R0.276 COC(=O)NCCCC(=O)CCF 1458a_100000753017_100011217306 [0,1,0,0,0,0|2,0,1]=4 6794 B12R0.276 COC(=O)NCCCC(=O)CCO 1458a_100000753017_100000211926 [0,1,0,0,0,0|2,0,1]=4 6795 B12R0.276 COC(=O)NCCOC(C)CCO 34a_100000757965_100009893172 [0,1,0,0,0,0|3,0,0]=4 6796 B12R0.276 COC(=O)OCCOC(C)CCO 34a_100010262106_100009893172 [0,1,0,0,0,0|3,0,0]=4 6797 B12R0.276 COCC(=O)CCCCC(=O)OC 1458a_100000210968_100000204269 [0,1,0,0,0,0|1,0,1]=3 6798 B12R0.276 COCC(=O)CCOCC(=O)OC 1458a_100000210968_100000090808 [0,1,0,0,0,0|2,0,1]=4 6799 B12R0.276 COCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210968 [0,1,0,0,0,0|2,0,1]=4 6800 B12R0.276 COCC(=O)NCCCC(=O)OC 34a_100138415774_100000230218 [0,1,0,0,0,0|2,0,1]=4 6801 B12R0.276 COCC(C)OCCNC(=O)OC 34a_100000757965_100000765312 [0,1,0,0,0,0|3,0,0]=4 6802 B12R0.276 COCC(C)OCCOC(=O)OC 34a_100010262106_100000765312 [0,1,0,0,0,0|3,0,0]=4 6803 B12R0.276 COCC(C)SCCCC(=O)OC 62a_100000765312_100011218270 [0,1,0,0,0,0|2,0,0]=3 6804 B12R0.276 COCC(C)SCCCC(=O)OC 62a_100011218270_100000765312 [0,1,0,0,0,0|2,0,0]=3 6805 B12R0.276 COCC(N)COCCC(=O)OC 34a_100000724102_100000742370 [0,1,0,0,0,0|2,0,0]=3 6806 B12R0.276 COCC(O)CNCCC(=O)OC 2230a_100000756049_100000204255 [0,1,0,0,0,0|2,0,0]=3 6807 B12R0.276 COCC(O)CNCCC(=O)OC 34a_100000756049_100000742370 [0,1,0,0,0,0|2,0,0]=3 6808 B12R0.276 COCC(O)CSCCC(=O)OC 62a_100000204255_100011215053 [0,1,0,0,0,0|2,0,0]=3 6809 B12R0.276 COCC(O)CSCCC(=O)OC 62a_100011215053_100000204255 [0,1,0,0,0,0|2,0,0]=3 6810 B12R0.276 COCC(O)CSCOC(=O)OC 62a_100011215053_100000139417 [0,1,0,0,0,0|3,0,0]=4 6811 B12R0.276 COC[C@@H](C)NCCCC(=O)OC 2230a_100000764878_100011218270 [0,1,0,0,0,0|2,0,0]=3 6812 B12R0.276 COC[C@@H](C)OCCCC(=O)OC 34a_100011934205_100000742333 [0,1,0,0,0,0|2,0,0]=3 6813 B12R0.312 CCCCCCCCS(=O)(=O)NC 270084a_100102657272_100011218563 [0,1,0,0,0,0|2,0,0]=3 6814 B12R0.312 CCCCCCCCS(=O)(=O)NC 274078a_100102657272_100011218563 [0,1,0,0,0,0|2,0,0]=3 6815 B12R0.312 CCCCCCCNS(=O)(=O)CC 270084a_100000229938_100000211323 [0,1,0,0,0,0|3,0,0]=4 6816 B12R0.312 CCCCCCCNS(=O)(=O)CC 274078a_100000229938_100000211323 [0,1,0,0,0,0|3,0,0]=4 6817 B12R0.312 CCCCCCCNS(=O)(=O)CC 40a_100000229938_100000053943 [0,1,0,0,0,0|3,0,0]=4 6818 B12R0.312 CCCCCCNCC(C)(C)OC 2230a_100000763424_100000210314 [0,1,0,0,0,0|2,0,1]=4 6819 B12R0.312 CCCCCCOCC(C)(C)OC 34a_100000210259_100000701081 [0,1,0,0,0,0|2,0,1]=4 6820 B12R0.312 CCCCCCSCC(C)(C)OC 62a_100000210314_100000701081 [0,1,0,0,0,0|2,0,1]=4 6821 B12R0.312 CCCCCCSCC(C)(C)OC 62a_100000701081_100000210757 [0,1,0,0,0,0|2,0,1]=4 6822 B12R0.312 CCCCCNCCS(=O)(=O)CC 2230a_100000209983_100000756660 [0,1,0,0,0,0|3,0,0]=4 6823 B12R0.312 CCCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210326 [0,1,0,0,0,0|3,0,0]=4 6824 B12R0.312 CCCCCNCCS(=O)(=O)CC 34a_100000751051_100000718602 [0,1,0,0,0,0|3,0,0]=4 6825 B12R0.312 CCCCCNCCS(=O)(=O)NC 2230a_100000710037_100000210326 [0,1,0,0,0,0|3,0,0]=4 6826 B12R0.312 CCCCCNCCS(=O)(=O)NC 34a_100000710037_100000718602 [0,1,0,0,0,0|3,0,0]=4 6827 B12R0.312 CCCCCOCCC(C)(C)OC 7a_100000699976_100000210326 [0,1,0,0,0,0|2,0,1]=4 6828 B12R0.312 CCCCCOCCS(=O)(=O)CC 34a_100000210253_100000756660 [0,1,0,0,0,0|3,0,0]=4 6829 B12R0.312 CCCCCOCCS(=O)(=O)CC 34a_200011216379_100000718602 [0,1,0,0,0,0|3,0,0]=4 6830 B12R0.312 CCCCCOCCS(=O)(=O)CC 7a_100000210253_100000756660 [0,1,0,0,0,0|3,0,0]=4 6831 B12R0.312 CCCCCOCCS(=O)(=O)CC 7a_200011216379_100000210326 [0,1,0,0,0,0|3,0,0]=4 6832 B12R0.312 CCCCCSCCS(=O)(=O)CC 62a_100000210326_100000756660 [0,1,0,0,0,0|3,0,0]=4 6833 B12R0.312 CCCCCSCCS(=O)(=O)CC 62a_100000756660_100000210326 [0,1,0,0,0,0|3,0,0]=4 6834 B12R1.1 C=C1CCC(CC1)COCCC 34a_100000074039_100000210303 [0,0,0,1,0,0|3,0,0]=4 6835 B12R1.1 C=C1CCC(CC1)NCCCC 270004a_100000102301_100010272673 [0,0,0,1,0,0|3,0,0]=4 6836 B12R1.1 C=C1CCN(CC1)CCCCC 2230a_100000752442_100000210326 [0,0,0,1,0,0|3,0,0]=4 6837 B12R1.1 C=C1CCN(CC1)CCCCC 269982a_100000752442_100000210215 [0,0,0,1,0,0|3,0,0]=4 6838 B12R1.1 C=C1CCN(CC1)CCCCC 34a_100000752442_100000718602 [0,0,0,1,0,0|3,0,0]=4 6839 B12R1.1 CCCCCN1CC=C(CC1)C 2230a_100000693516_100000210326 [0,0,0,1,0,0|3,0,0]=4 6840 B12R1.1 CCCCCN1CC=C(CC1)C 269982a_100000693516_100000210215 [0,0,0,1,0,0|3,0,0]=4 6841 B12R1.1 CCCCCN1CC=C(CC1)C 34a_100000693516_100000718602 [0,0,0,1,0,0|3,0,0]=4 6842 B12R1.1 CCCCCN1CCS(=O)CC1 2230a_100000752083_100000210326 [0,0,0,1,0,0|3,0,0]=4 6843 B12R1.1 CCCCCN1CCS(=O)CC1 269982a_100000752083_100000210215 [0,0,0,1,0,0|3,0,0]=4 6844 B12R1.1 CCCCNC1CCC(=O)NC1 2230a_100000748762_100000210211 [0,0,0,1,0,0|2,0,0]=3 6845 B12R1.1 CCCCNC1CCC(=O)NC1 34a_100000748762_100000210210 [0,0,0,1,0,0|2,0,0]=3 6846 B12R1.1 CCCCOC1CCC(=O)CC1 34a_100000764474_100000210210 [0,0,0,1,0,0|2,0,0]=3 6847 B12R1.1 CCCCOC1CCC(=O)CC1 7a_100000764474_100000210211 [0,0,0,1,0,0|2,0,0]=3 6848 B12R1.1 CCCCOC1CCC(=O)NC1 34a_100000079199_100000210210 [0,0,0,1,0,0|2,0,0]=3 6849 B12R1.1 CCCCOC1CNC(=O)NC1 34a_100000080929_100000210210 [0,0,0,1,0,0|3,0,0]=4 6850 B12R1.1 CCCOCC1CCC(=O)CC1 34a_100000062911_100000210303 [0,0,0,1,0,0|2,0,0]=3 6851 B12R1.1 COCCNC1CCC(=O)NC1 2230a_100000748762_100011201679 [0,0,0,1,0,0|3,0,0]=4 6852 B12R1.1 COCCNC1CCC(=O)NC1 34a_100000748762_100011201679 [0,0,0,1,0,0|3,0,0]=4 6853 B12R1.1 COCCOC1CCC(=O)CC1 34a_100000764474_100011201679 [0,0,0,1,0,0|3,0,0]=4 6854 B12R1.1 COCCOC1CCC(=O)CC1 7a_100000764474_100000233755 [0,0,0,1,0,0|3,0,0]=4 6855 B12R1.1 COCCOC1CCC(=O)NC1 34a_100000079199_100011201679 [0,0,0,1,0,0|3,0,0]=4 6856 B12R1.1 CSCCNC1CCC(=O)NC1 2230a_100000748762_100000751147 [0,0,0,1,0,0|3,0,0]=4 6857 B12R1.1 CSCCNC1CCC(=O)NC1 34a_100000748762_100000212216 [0,0,0,1,0,0|3,0,0]=4 6858 B12R1.1 CSCCOC1CCC(=O)CC1 34a_100000764474_100000212216 [0,0,0,1,0,0|3,0,0]=4 6859 B12R1.1 CSCCOC1CCC(=O)CC1 7a_100000764474_100000212216 [0,0,0,1,0,0|3,0,0]=4 6860 B12R1.1 CSCCOC1CCC(=O)NC1 34a_100000079199_100000212216 [0,0,0,1,0,0|3,0,0]=4 6861 B12R1.1 CSCOCC1CCC(=O)CC1 34a_100000062911_100011218213 [0,0,0,1,0,0|3,0,0]=4 6862 B12R1.1 O=C1CCC(CC1)COCCF 34a_100000062911_100011217306 [0,0,0,1,0,0|3,0,0]=4 6863 B12R1.1 O=C1CCC(CC1)COCCO 34a_100000062911_100000211926 [0,0,0,1,0,0|3,0,0]=4 6864 B12R1.1 O=C1CCC(CC1)OCCCF 34a_100000764474_100011934791 [0,0,0,1,0,0|3,0,0]=4 6865 B12R1.1 O=C1CCC(CC1)OCCCF 7a_100000764474_100011934791 [0,0,0,1,0,0|3,0,0]=4 6866 B12R1.1 O=C1CCC(CC1)OCCCO 34a_100000764474_100000230001 [0,0,0,1,0,0|3,0,0]=4 6867 B12R1.1 O=C1CCC(CC1)OCCCO 7a_100000764474_100011215043 [0,0,0,1,0,0|3,0,0]=4 6868 B12R1.1 O=C1CCC(CN1)NCCCF 2230a_100000748762_100011934791 [0,0,0,1,0,0|3,0,0]=4 6869 B12R1.1 O=C1CCC(CN1)NCCCF 34a_100000748762_100011934791 [0,0,0,1,0,0|3,0,0]=4 6870 B12R1.1 O=C1CCC(CN1)NCCCO 2230a_100000748762_100000230001 [0,0,0,1,0,0|3,0,0]=4 6871 B12R1.1 O=C1CCC(CN1)NCCCO 34a_100000748762_100000230001 [0,0,0,1,0,0|3,0,0]=4 6872 B12R1.1 O=C1CCC(CN1)OCCCF 34a_100000079199_100011934791 [0,0,0,1,0,0|3,0,0]=4 6873 B12R1.1 O=C1CCC(CN1)OCCCO 34a_100000079199_100000230001 [0,0,0,1,0,0|3,0,0]=4 6874 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [0,0,0,1,0,0|2,0,0]=3 6875 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,0,0,1,0,0|2,0,0]=3 6876 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,0,0,1,0,0|2,0,0]=3 6877 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,0,0,1,0,0|2,0,0]=3 6878 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,0,0,1,0,0|2,0,0]=3 6879 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,0,0,1,0,0|2,0,0]=3 6880 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,0,0,1,0,0|2,0,0]=3 6881 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,0,0,1,0,0|2,0,0]=3 6882 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,0,0,1,0,0|3,0,0]=4 6883 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,0,0,1,0,0|3,0,0]=4 6884 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [0,0,0,1,0,0|3,0,0]=4 6885 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [0,0,0,1,0,0|3,0,0]=4 6886 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [0,0,0,1,0,0|3,0,0]=4 6887 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [0,0,0,1,0,0|3,0,0]=4 6888 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,0,0,1,0,0|2,0,0]=3 6889 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,0,0,1,0,0|2,0,0]=3 6890 B12R1.7 CCCCNN=C1COC(=O)C1 4a_100025702795_100000211896 [0,0,0,1,0,0|2,0,1]=4 6891 B12R1.7 CCCCOCC1=CC(=O)OC1 34a_100000210227_100000716558 [0,0,0,1,0,0|1,0,2]=4 6892 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [0,0,0,1,0,0|3,0,0]=4 6893 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,0,0,1,0,0|2,0,0]=3 6894 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,0,0,1,0,0|3,0,0]=4 6895 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,0,0,1,0,0|3,0,0]=4 6896 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,0,0,1,0,0|3,0,0]=4 6897 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,0,0,1,0,0|2,0,0]=3 6898 B12R1.7 CCCCOCN1CNC(=O)C1 2230a_200000708111_100011995733 [0,0,0,1,0,0|3,0,0]=4 6899 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [0,0,0,1,0,0|3,0,0]=4 6900 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,0,0,1,0,0|2,0,0]=3 6901 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,0,0,1,0,0|2,0,0]=3 6902 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000210211_100000716558 [0,0,0,1,0,0|1,0,2]=4 6903 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000716558_100000210210 [0,0,0,1,0,0|1,0,2]=4 6904 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,0,0,1,0,0|3,0,0]=4 6905 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,0,0,1,0,0|3,0,0]=4 6906 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,0,0,1,0,0|2,0,0]=3 6907 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,0,0,1,0,0|2,0,0]=3 6908 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [0,0,0,1,0,0|3,0,0]=4 6909 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [0,0,0,1,0,0|3,0,0]=4 6910 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,0,0,1,0,0|2,0,0]=3 6911 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,0,0,1,0,0|2,0,0]=3 6912 B12R1.7 CCCOCCN1CNC(=O)C1 2230a_200000708111_100011215938 [0,0,0,1,0,0|3,0,0]=4 6913 B12R1.7 CCCSCCC1COS(=O)O1 62a_100000210303_100009840081 [0,0,0,1,0,0|3,0,0]=4 6914 B12R1.7 CCOCCCN1CNC(=O)C1 2230a_200000708111_100012232248 [0,0,0,1,0,0|3,0,0]=4 6915 B12R1.7 CCOCCNC1CNC(=O)C1 2230a_100000697751_100011215890 [0,0,0,1,0,0|3,0,0]=4 6916 B12R1.7 CCOCCNC1COC(=O)O1 34a_102516460346_100000032252 [0,0,0,1,0,0|3,0,0]=4 6917 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [0,0,0,1,0,0|3,0,0]=4 6918 B12R1.7 CCOCCOC1CNC(=O)C1 34a_100000690082_100000210147 [0,0,0,1,0,0|3,0,0]=4 6919 B12R1.7 CCOCCOC1COC(=O)O1 34a_100000210136_100000032252 [0,0,0,1,0,0|3,0,0]=4 6920 B12R1.7 CCOCCSC1COC(=O)O1 62a_100000210147_100000032252 [0,0,0,1,0,0|3,0,0]=4 6921 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000073702_100000739092 [0,0,0,1,0,0|3,0,0]=4 6922 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000739092_100000073702 [0,0,0,1,0,0|3,0,0]=4 6923 B12R1.7 CCOCSC[C@H]1COC(=O)N1 62a_100000739092_100015307671 [0,0,0,1,0,0|3,0,0]=4 6924 B12R1.7 CCOCSC[C@H]1COC(=O)N1 62a_100015307671_100000739092 [0,0,0,1,0,0|3,0,0]=4 6925 B12R1.7 CCSCCNC1CNC(=O)C1 2230a_100000697751_100000757381 [0,0,0,1,0,0|3,0,0]=4 6926 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [0,0,0,1,0,0|3,0,0]=4 6927 B12R1.7 CCSCCOC1CNC(=O)C1 34a_100000690082_100000757381 [0,0,0,1,0,0|3,0,0]=4 6928 B12R1.7 CCSCCOC1COC(=O)O1 34a_100000212035_100000032252 [0,0,0,1,0,0|3,0,0]=4 6929 B12R1.7 CCSCCSC1COC(=O)O1 62a_100000757381_100000032252 [0,0,0,1,0,0|3,0,0]=4 6930 B12R1.7 CNCCCOC1COC(=O)O1 34a_100000213112_100000032252 [0,0,0,1,0,0|3,0,0]=4 6931 B12R1.7 COCCCCN1CNC(=O)C1 2230a_200000708111_100000730899 [0,0,0,1,0,0|3,0,0]=4 6932 B12R1.7 COCCCNC1CNC(=O)C1 2230a_100000697751_100000740836 [0,0,0,1,0,0|3,0,0]=4 6933 B12R1.7 COCCCNC1COC(=O)O1 34a_100150723488_100000032252 [0,0,0,1,0,0|3,0,0]=4 6934 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [0,0,0,1,0,0|3,0,0]=4 6935 B12R1.7 COCCCOC1CNC(=O)C1 34a_100000690082_100000740836 [0,0,0,1,0,0|3,0,0]=4 6936 B12R1.7 COCCCOC1COC(=O)O1 34a_100000740835_100000032252 [0,0,0,1,0,0|3,0,0]=4 6937 B12R1.7 COCCCSC1COC(=O)O1 62a_100000709357_100000032252 [0,0,0,1,0,0|3,0,0]=4 6938 B12R1.7 COCCNCC1CNC(=O)C1 2230a_100016993742_100011201679 [0,0,0,1,0,0|3,0,0]=4 6939 B12R1.7 COCCNCC1CNC(=O)C1 34a_100016993742_100011201679 [0,0,0,1,0,0|3,0,0]=4 6940 B12R1.7 COCCNC[C@H]1COC(=O)N1 2230a_100000209980_100015307671 [0,0,0,1,0,0|3,0,0]=4 6941 B12R1.7 COCCOCC1CNC(=O)C1 34a_100016041077_100011201679 [0,0,0,1,0,0|3,0,0]=4 6942 B12R1.7 COCCOCC1COC(=O)O1 34a_100000210237_100000073702 [0,0,0,1,0,0|3,0,0]=4 6943 B12R1.7 COCCOC[C@H]1COC(=O)N1 34a_100000210237_100015307671 [0,0,0,1,0,0|3,0,0]=4 6944 B12R1.7 COCCSCC1COC(=O)O1 62a_100000073702_100000233755 [0,0,0,1,0,0|3,0,0]=4 6945 B12R1.7 COCCSCC1COC(=O)O1 62a_100000233755_100000073702 [0,0,0,1,0,0|3,0,0]=4 6946 B12R1.7 COCCSC[C@H]1COC(=O)N1 62a_100000233755_100015307671 [0,0,0,1,0,0|3,0,0]=4 6947 B12R1.7 COCCSC[C@H]1COC(=O)N1 62a_100015307671_100000233755 [0,0,0,1,0,0|3,0,0]=4 6948 B12R1.7 CSCCCOC1COC(=O)O1 34a_100000690336_100000032252 [0,0,0,1,0,0|3,0,0]=4 6949 B12R1.7 CSCCNCC1CNC(=O)C1 2230a_100016993742_100000751147 [0,0,0,1,0,0|3,0,0]=4 6950 B12R1.7 CSCCNCC1CNC(=O)C1 34a_100016993742_100000212216 [0,0,0,1,0,0|3,0,0]=4 6951 B12R1.7 CSCCNC[C@H]1COC(=O)N1 2230a_100020590264_100015307671 [0,0,0,1,0,0|3,0,0]=4 6952 B12R1.7 CSCCOCC1CNC(=O)C1 34a_100016041077_100000212216 [0,0,0,1,0,0|3,0,0]=4 6953 B12R1.7 CSCCOCC1COC(=O)O1 34a_100000230434_100000073702 [0,0,0,1,0,0|3,0,0]=4 6954 B12R1.7 CSCCOC[C@H]1COC(=O)N1 34a_100000230434_100015307671 [0,0,0,1,0,0|3,0,0]=4 6955 B12R1.7 CSCCOC[C@H]1COC(=O)N1 7a_100000230434_100015307671 [0,0,0,1,0,0|3,0,0]=4 6956 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000073702_100000751147 [0,0,0,1,0,0|3,0,0]=4 6957 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000212216_100000073702 [0,0,0,1,0,0|3,0,0]=4 6958 B12R1.7 CSCCSC[C@H]1COC(=O)N1 62a_100000212216_100015307671 [0,0,0,1,0,0|3,0,0]=4 6959 B12R1.7 CSCCSC[C@H]1COC(=O)N1 62a_100015307671_100000751147 [0,0,0,1,0,0|3,0,0]=4 6960 B12R1.7 NCCCCOC1COC(=O)O1 34a_100000750430_100000032252 [0,0,0,1,0,0|3,0,0]=4 6961 B12R1.7 NCCCOCC1COC(=O)O1 34a_100000182051_100000073702 [0,0,0,1,0,0|3,0,0]=4 6962 B12R1.7 NCCCOC[C@H]1COC(=O)N1 34a_100000182051_100015307671 [0,0,0,1,0,0|3,0,0]=4 6963 B12R1.7 O=C1CC(CN1)CNCCCF 2230a_100016993742_100011934791 [0,0,0,1,0,0|3,0,0]=4 6964 B12R1.7 O=C1CC(CN1)CNCCCF 34a_100016993742_100011934791 [0,0,0,1,0,0|3,0,0]=4 6965 B12R1.7 O=C1CC(CN1)CNCCCO 2230a_100016993742_100000230001 [0,0,0,1,0,0|3,0,0]=4 6966 B12R1.7 O=C1CC(CN1)CNCCCO 34a_100016993742_100000230001 [0,0,0,1,0,0|3,0,0]=4 6967 B12R1.7 O=C1CC(CN1)COCCCF 34a_100016041077_100011934791 [0,0,0,1,0,0|3,0,0]=4 6968 B12R1.7 O=C1CC(CN1)COCCCO 34a_100016041077_100000230001 [0,0,0,1,0,0|3,0,0]=4 6969 B12R1.7 O=C1CC(CN1)NCCCCF 2230a_100000697751_100000729493 [0,0,0,1,0,0|3,0,0]=4 6970 B12R1.7 O=C1CC(CN1)NCCCCO 2230a_100000697751_100000210776 [0,0,0,1,0,0|3,0,0]=4 6971 B12R1.7 O=C1CC(CN1)OCCCCF 34a_100000690082_100000729493 [0,0,0,1,0,0|3,0,0]=4 6972 B12R1.7 O=C1CC(CN1)OCCCCO 34a_100000690082_100011216708 [0,0,0,1,0,0|3,0,0]=4 6973 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [0,0,0,1,0,0|3,0,0]=4 6974 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,0,0,1,0,0|3,0,0]=4 6975 B12R1.7 O=C1CN(CN1)CCCCCF 2230a_200000708111_100000729378 [0,0,0,1,0,0|3,0,0]=4 6976 B12R1.7 O=C1CN(CN1)CCCCCO 2230a_200000708111_100000746330 [0,0,0,1,0,0|3,0,0]=4 6977 B12R1.7 O=C1N[C@H](CO1)CNCCCF 2230a_100015189416_100015307671 [0,0,0,1,0,0|3,0,0]=4 6978 B12R1.7 O=C1N[C@H](CO1)CNCCCF 34a_100015189416_100015307671 [0,0,0,1,0,0|3,0,0]=4 6979 B12R1.7 O=C1N[C@H](CO1)COCCCBr 34a_100011217188_100015307671 [0,0,0,1,0,0|3,0,0]=4 6980 B12R1.7 O=C1N[C@H](CO1)COCCCCl 34a_100000230001_100015307671 [0,0,0,1,0,0|3,0,0]=4 6981 B12R1.7 O=C1N[C@H](CO1)COCCCF 34a_100000759539_100015307671 [0,0,0,1,0,0|3,0,0]=4 6982 B12R1.7 O=C1N[C@H](CO1)CSCCCF 62a_100011934791_100015307671 [0,0,0,1,0,0|3,0,0]=4 6983 B12R1.7 O=C1N[C@H](CO1)CSCCCF 62a_100015307671_100011934791 [0,0,0,1,0,0|3,0,0]=4 6984 B12R1.7 O=C1N[C@H](CO1)CSCCCO 62a_100011215043_100015307671 [0,0,0,1,0,0|3,0,0]=4 6985 B12R1.7 O=C1N[C@H](CO1)CSCCCO 62a_100015307671_100011215043 [0,0,0,1,0,0|3,0,0]=4 6986 B12R1.7 O=C1OCC(O1)CNCCCF 34a_100015189416_100000073702 [0,0,0,1,0,0|3,0,0]=4 6987 B12R1.7 O=C1OCC(O1)COCCCBr 34a_100011217188_100000073702 [0,0,0,1,0,0|3,0,0]=4 6988 B12R1.7 O=C1OCC(O1)COCCCCl 34a_100000230001_100000073702 [0,0,0,1,0,0|3,0,0]=4 6989 B12R1.7 O=C1OCC(O1)COCCCF 34a_100000759539_100000073702 [0,0,0,1,0,0|3,0,0]=4 6990 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100000073702_100011934791 [0,0,0,1,0,0|3,0,0]=4 6991 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100011934791_100000073702 [0,0,0,1,0,0|3,0,0]=4 6992 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100000073702_100011215043 [0,0,0,1,0,0|3,0,0]=4 6993 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100011215043_100000073702 [0,0,0,1,0,0|3,0,0]=4 6994 B12R1.7 O=C1OCC(O1)NCCCCO 34a_100000750430_100000032252 [0,0,0,1,0,0|3,0,0]=4 6995 B12R1.7 O=C1OCC(O1)OCCCCBr 34a_100011216708_100000032252 [0,0,0,1,0,0|3,0,0]=4 6996 B12R1.7 O=C1OCC(O1)OCCCCCl 34a_100000210776_100000032252 [0,0,0,1,0,0|3,0,0]=4 6997 B12R1.7 O=C1OCC(O1)OCCCCF 34a_100011995726_100000032252 [0,0,0,1,0,0|3,0,0]=4 6998 B12R1.7 O=C1OCC(O1)OCCCCI 34a_200012148704_100000032252 [0,0,0,1,0,0|3,0,0]=4 6999 B12R1.7 O=C1OCC(O1)SCCCCF 62a_100000729493_100000032252 [0,0,0,1,0,0|3,0,0]=4 7000 B12R1.7 O=C1OCC(O1)SCCCCO 62a_100000210776_100000032252 [0,0,0,1,0,0|3,0,0]=4 7001 B12R1.25 CCCCN1CCNC(=O)C1C 2230a_100000750721_100000210211 [0,0,0,1,0,0|3,0,0]=4 7002 B12R1.25 CCCCN1CCNC(=O)C1C 269982a_100000750721_100000210211 [0,0,0,1,0,0|3,0,0]=4 7003 B12R1.25 CCCCN1CCNC(=O)C1C 34a_100000750721_100000210210 [0,0,0,1,0,0|3,0,0]=4 7004 B12R1.25 CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210202 [0,0,0,1,0,0|2,0,0]=3 7005 B12R1.25 CCNCC1CCCC(=O)N1C 34a_200010383782_100000210202 [0,0,0,1,0,0|2,0,0]=3 7006 B12R1.25 CN1C(=O)CCCC1CNCF 34a_200010383782_100015361967 [0,0,0,1,0,0|3,0,0]=4 7007 B12R1.27 C#CC(=O)CCC1CCCCC1 1458a_100000211873_100011273959 [0,0,0,1,0,0|1,0,1]=3 7008 B12R1.27 C#CC(=O)CCC1CCOCC1 1458a_100000211873_100011934994 [0,0,0,1,0,0|2,0,1]=4 7009 B12R1.27 C#CC(=O)CCN1CCCCC1 1458a_100000211873_100000739454 [0,0,0,1,0,0|2,0,1]=4 7010 B12R1.27 C#CC(=O)COC1CCCCC1 1458a_100000211873_100011935260 [0,0,0,1,0,0|2,0,1]=4 7011 B12R1.27 C=CC(=O)CCC1CCCCC1 1458a_100000185746_100011273959 [0,0,0,1,0,0|1,0,1]=3 7012 B12R1.27 C=CC(=O)CCC1CCOCC1 1458a_100000185746_100011934994 [0,0,0,1,0,0|2,0,1]=4 7013 B12R1.27 C=CC(=O)CCN1CCCCC1 1458a_100000185746_100000739454 [0,0,0,1,0,0|2,0,1]=4 7014 B12R1.27 C=CC(=O)COC1CCCCC1 1458a_100000185746_100011935260 [0,0,0,1,0,0|2,0,1]=4 7015 B12R1.27 C=CC(=O)NCC1CCCCC1 1626a_100000210473_100000185746 [0,0,0,1,0,0|2,0,1]=4 7016 B12R1.27 C=CC(=O)NCC1CCCCC1 240690a_100000210473_200121576911 [0,0,0,1,0,0|2,0,1]=4 7017 B12R1.27 CC(CNC1CCCCC1)O[13CH3] 34a_100000202029_200025704644 [0,0,0,1,0,0|2,0,1]=4 7018 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [0,0,0,1,0,0|1,0,2]=4 7019 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,0,0,1,0,0|1,0,0]=2 7020 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,0,0,1,0,0|1,0,0]=2 7021 B12R1.27 CCC(=O)CCC1CCOCC1 1458a_100000210414_100011934994 [0,0,0,1,0,0|2,0,0]=3 7022 B12R1.27 CCC(=O)CCC1OCCCO1 1458a_100000210414_100000764188 [0,0,0,1,0,0|3,0,0]=4 7023 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000210414_100000739454 [0,0,0,1,0,0|2,0,0]=3 7024 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210202 [0,0,0,1,0,0|2,0,0]=3 7025 B12R1.27 CCC(=O)CCN1CCCCO1 1458a_200015184090_100000210202 [0,0,0,1,0,0|3,0,0]=4 7026 B12R1.27 CCC(=O)CCN1CCOCC1 1458a_100000210414_100000753993 [0,0,0,1,0,0|3,0,0]=4 7027 B12R1.27 CCC(=O)CCN1CCOCC1 1458a_100000749337_100000210202 [0,0,0,1,0,0|3,0,0]=4 7028 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,0,0,1,0,0|2,0,0]=3 7029 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,0,0,1,0,0|2,0,0]=3 7030 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,0,0,1,0,0|2,0,0]=3 7031 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,0,0,1,0,0|2,0,0]=3 7032 B12R1.27 CCC(=O)COC1CCCOC1 34a_100000725409_100000693364 [0,0,0,1,0,0|3,0,0]=4 7033 B12R1.27 CCC(=O)COC1CCCSC1 7a_100015962668_100000747405 [0,0,0,1,0,0|3,0,0]=4 7034 B12R1.27 CCC(=O)COC1CCSCC1 34a_100000725409_100000069128 [0,0,0,1,0,0|3,0,0]=4 7035 B12R1.27 CCC(=O)COC1CCSCC1 7a_100000731022_100000747405 [0,0,0,1,0,0|3,0,0]=4 7036 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [0,0,0,1,0,0|2,0,0]=3 7037 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [0,0,0,1,0,0|2,0,0]=3 7038 B12R1.27 CCC(=O)CSC1CCCOC1 62a_100000747405_100000693364 [0,0,0,1,0,0|3,0,0]=4 7039 B12R1.27 CCC(=O)CSC1CCOCC1 62a_100000747405_100011324220 [0,0,0,1,0,0|3,0,0]=4 7040 B12R1.27 CCC(=O)CSC1CCSCC1 62a_100000747405_100000069128 [0,0,0,1,0,0|3,0,0]=4 7041 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,0,0,1,0,0|2,0,0]=3 7042 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,0,0,1,0,0|2,0,0]=3 7043 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,0,0,1,0,0|2,0,0]=3 7044 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,0,0,1,0,0|2,0,0]=3 7045 B12R1.27 CCC(=O)NCC1CCCCO1 11a_100000174945_100000210414 [0,0,0,1,0,0|3,0,0]=4 7046 B12R1.27 CCC(=O)NCC1CCCCO1 1626a_100000174945_100000210414 [0,0,0,1,0,0|3,0,0]=4 7047 B12R1.27 CCC(=O)NCC1CCCCO1 240690a_100000174945_100000210414 [0,0,0,1,0,0|3,0,0]=4 7048 B12R1.27 CCC(=O)NCC1CCCCO1 527a_100000174945_100000210414 [0,0,0,1,0,0|3,0,0]=4 7049 B12R1.27 CCC(=O)NCC1CCCOC1 11a_100000720124_100000210414 [0,0,0,1,0,0|3,0,0]=4 7050 B12R1.27 CCC(=O)NCC1CCCOC1 1626a_100000720124_100000210414 [0,0,0,1,0,0|3,0,0]=4 7051 B12R1.27 CCC(=O)NCC1CCCOC1 240690a_100000720124_100000210414 [0,0,0,1,0,0|3,0,0]=4 7052 B12R1.27 CCC(=O)NCC1CCCOC1 527a_100000720124_100000210414 [0,0,0,1,0,0|3,0,0]=4 7053 B12R1.27 CCC(=O)NCC1CCOCC1 11a_100000746373_100000210414 [0,0,0,1,0,0|3,0,0]=4 7054 B12R1.27 CCC(=O)NCC1CCOCC1 1626a_100000746373_100000210414 [0,0,0,1,0,0|3,0,0]=4 7055 B12R1.27 CCC(=O)NCC1CCOCC1 240690a_100000746373_100000210414 [0,0,0,1,0,0|3,0,0]=4 7056 B12R1.27 CCC(=O)NCC1CCOCC1 527a_100000746373_100000210414 [0,0,0,1,0,0|3,0,0]=4 7057 B12R1.27 CCC(=O)NCC1CCSCC1 11a_100015188806_100000210414 [0,0,0,1,0,0|3,0,0]=4 7058 B12R1.27 CCC(=O)NCC1CCSCC1 240690a_100015188806_100000210414 [0,0,0,1,0,0|3,0,0]=4 7059 B12R1.27 CCC(=O)NCC1CCSCC1 527a_100015188806_100000210414 [0,0,0,1,0,0|3,0,0]=4 7060 B12R1.27 CCC(=O)NNC1CCCCC1 22a_100000709804_100000210414 [0,0,0,1,0,0|3,0,0]=4 7061 B12R1.27 CCN(C)CCC1CCCCC1 2230a_100000225621_100012355289 [0,0,0,1,0,0|3,0,0]=4 7062 B12R1.27 CCN(C)CCC1CCCCC1 269982a_100000225621_100011273959 [0,0,0,1,0,0|3,0,0]=4 7063 B12R1.27 CNC(=O)C=CC1CCCCC1 11a_106832991635_100102566626 [0,0,0,1,0,0|1,0,2]=4 7064 B12R1.27 CNC(=O)C=CC1CCCCC1 1626a_100102657272_100102566626 [0,0,0,1,0,0|1,0,2]=4 7065 B12R1.27 CNC(=O)C=CC1CCCCC1 240690a_100102657272_100102566626 [0,0,0,1,0,0|1,0,2]=4 7066 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [0,0,0,1,0,0|1,0,0]=2 7067 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [0,0,0,1,0,0|1,0,0]=2 7068 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [0,0,0,1,0,0|1,0,0]=2 7069 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [0,0,0,1,0,0|1,0,0]=2 7070 B12R1.27 CNC(=O)CCN1CCCCC1 240690a_100102657272_100000743487 [0,0,0,1,0,0|2,0,0]=3 7071 B12R1.27 CNC(=O)CCN1CCCCO1 240690a_100102657272_200015184090 [0,0,0,1,0,0|3,0,0]=4 7072 B12R1.27 CNC(=O)CCN1CCCOC1 2230a_100000131196_100000737683 [0,0,0,1,0,0|3,0,0]=4 7073 B12R1.27 CNC(=O)CCN1CCCOC1 269982a_100000131196_100000737683 [0,0,0,1,0,0|3,0,0]=4 7074 B12R1.27 CNC(=O)CCN1CCCOC1 34a_100000131196_100012179268 [0,0,0,1,0,0|3,0,0]=4 7075 B12R1.27 CNC(=O)CCN1CCOCC1 2230a_100015191051_100000737683 [0,0,0,1,0,0|3,0,0]=4 7076 B12R1.27 CNC(=O)CCN1CCOCC1 240690a_100102657272_100000749337 [0,0,0,1,0,0|3,0,0]=4 7077 B12R1.27 CNC(=O)CCN1CCOCC1 269982a_100015191051_100000737683 [0,0,0,1,0,0|3,0,0]=4 7078 B12R1.27 CNC(=O)CCN1CCOCC1 34a_100015191051_100012179268 [0,0,0,1,0,0|3,0,0]=4 7079 B12R1.27 CNC(=O)CCN1CCOCC1 527a_100102657272_100000749337 [0,0,0,1,0,0|3,0,0]=4 7080 B12R1.27 CNC(=O)CCN1CCSCC1 2230a_100000737611_100000737683 [0,0,0,1,0,0|3,0,0]=4 7081 B12R1.27 CNC(=O)CCN1CCSCC1 269982a_100000737611_100000737683 [0,0,0,1,0,0|3,0,0]=4 7082 B12R1.27 CNC(=O)CNC1CCCCC1 2230a_100000182618_100000183359 [0,0,0,1,0,0|2,0,0]=3 7083 B12R1.27 CNC(=O)CNC1CCCCC1 270004a_100000693194_100000210434 [0,0,0,1,0,0|2,0,0]=3 7084 B12R1.27 CNC(=O)CNC1CCCCC1 34a_100000182618_100000183359 [0,0,0,1,0,0|2,0,0]=3 7085 B12R1.27 CNC(=O)CNC1CCCOC1 2230a_100000719290_100000183359 [0,0,0,1,0,0|3,0,0]=4 7086 B12R1.27 CNC(=O)CNC1CCCOC1 270004a_100000693194_100000753404 [0,0,0,1,0,0|3,0,0]=4 7087 B12R1.27 CNC(=O)CNC1CCCOC1 34a_100000719290_100000183359 [0,0,0,1,0,0|3,0,0]=4 7088 B12R1.27 CNC(=O)CNC1CCCSC1 270004a_100000693194_100000057913 [0,0,0,1,0,0|3,0,0]=4 7089 B12R1.27 CNC(=O)CNC1CCNCC1 270004a_100000693194_100015192401 [0,0,0,1,0,0|3,0,0]=4 7090 B12R1.27 CNC(=O)CNC1CCOCC1 2230a_100000741149_100000183359 [0,0,0,1,0,0|3,0,0]=4 7091 B12R1.27 CNC(=O)CNC1CCOCC1 270004a_100000693194_100011217826 [0,0,0,1,0,0|3,0,0]=4 7092 B12R1.27 CNC(=O)CNC1CCOCC1 34a_100000741149_100000183359 [0,0,0,1,0,0|3,0,0]=4 7093 B12R1.27 CNC(=O)CNC1CCSCC1 2230a_100000748639_100000183359 [0,0,0,1,0,0|3,0,0]=4 7094 B12R1.27 CNC(=O)CNC1CCSCC1 270004a_100000693194_100000203788 [0,0,0,1,0,0|3,0,0]=4 7095 B12R1.27 CNC(=O)CNC1CCSCC1 34a_100000748639_100000183359 [0,0,0,1,0,0|3,0,0]=4 7096 B12R1.27 CNC(=O)COC1CCCCC1 11a_106832991635_100011223303 [0,0,0,1,0,0|2,0,0]=3 7097 B12R1.27 CNC(=O)COC1CCCCC1 1626a_100102657272_100011223303 [0,0,0,1,0,0|2,0,0]=3 7098 B12R1.27 CNC(=O)COC1CCCCC1 240690a_100102657272_100011223303 [0,0,0,1,0,0|2,0,0]=3 7099 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000210231_100000183359 [0,0,0,1,0,0|2,0,0]=3 7100 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000750040_100000210327 [0,0,0,1,0,0|2,0,0]=3 7101 B12R1.27 CNC(=O)COC1CCCCC1 527a_100102657272_100011223303 [0,0,0,1,0,0|2,0,0]=3 7102 B12R1.27 CNC(=O)COC1CCCCC1 7a_100000210231_100000183359 [0,0,0,1,0,0|2,0,0]=3 7103 B12R1.27 CNC(=O)COC1CCCCO1 34a_100000033831_100000183359 [0,0,0,1,0,0|3,0,0]=4 7104 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000750040_100000693364 [0,0,0,1,0,0|3,0,0]=4 7105 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000754041_100000183359 [0,0,0,1,0,0|3,0,0]=4 7106 B12R1.27 CNC(=O)COC1CCCSC1 7a_100015962668_100000183359 [0,0,0,1,0,0|3,0,0]=4 7107 B12R1.27 CNC(=O)COC1CCOCC1 34a_100000744328_100000183359 [0,0,0,1,0,0|3,0,0]=4 7108 B12R1.27 CNC(=O)COC1CCSCC1 34a_100000731022_100000183359 [0,0,0,1,0,0|3,0,0]=4 7109 B12R1.27 CNC(=O)COC1CCSCC1 34a_100000750040_100000069128 [0,0,0,1,0,0|3,0,0]=4 7110 B12R1.27 CNC(=O)COC1CCSCC1 7a_100000731022_100000183359 [0,0,0,1,0,0|3,0,0]=4 7111 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000183359_100000210327 [0,0,0,1,0,0|2,0,0]=3 7112 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000210327_100000183359 [0,0,0,1,0,0|2,0,0]=3 7113 B12R1.27 CNC(=O)CSC1CCCOC1 62a_100000183359_100000693364 [0,0,0,1,0,0|3,0,0]=4 7114 B12R1.27 CNC(=O)CSC1CCOCC1 62a_100000183359_100011324220 [0,0,0,1,0,0|3,0,0]=4 7115 B12R1.27 CNC(=O)CSC1CCSCC1 62a_100000183359_100000069128 [0,0,0,1,0,0|3,0,0]=4 7116 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [0,0,0,1,0,0|2,0,0]=3 7117 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [0,0,0,1,0,0|2,0,0]=3 7118 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [0,0,0,1,0,0|2,0,0]=3 7119 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [0,0,0,1,0,0|2,0,0]=3 7120 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [0,0,0,1,0,0|2,0,0]=3 7121 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100000174945_106832991635 [0,0,0,1,0,0|3,0,0]=4 7122 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100102657272_100000174945 [0,0,0,1,0,0|3,0,0]=4 7123 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100000174945_100102657272 [0,0,0,1,0,0|3,0,0]=4 7124 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100102657272_100000174945 [0,0,0,1,0,0|3,0,0]=4 7125 B12R1.27 CNC(=O)NCC1CCCCO1 512a_100000174945_100102657272 [0,0,0,1,0,0|3,0,0]=4 7126 B12R1.27 CNC(=O)NCC1CCCCO1 512a_106832991638_100000174945 [0,0,0,1,0,0|3,0,0]=4 7127 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100000720124_106832991635 [0,0,0,1,0,0|3,0,0]=4 7128 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100102657272_100000720124 [0,0,0,1,0,0|3,0,0]=4 7129 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100000720124_100102657272 [0,0,0,1,0,0|3,0,0]=4 7130 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100102657272_100000720124 [0,0,0,1,0,0|3,0,0]=4 7131 B12R1.27 CNC(=O)NCC1CCCOC1 512a_100000720124_100102657272 [0,0,0,1,0,0|3,0,0]=4 7132 B12R1.27 CNC(=O)NCC1CCCOC1 512a_106832991638_100000720124 [0,0,0,1,0,0|3,0,0]=4 7133 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100000746373_106832991635 [0,0,0,1,0,0|3,0,0]=4 7134 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100102657272_100000746373 [0,0,0,1,0,0|3,0,0]=4 7135 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100000746373_100102657272 [0,0,0,1,0,0|3,0,0]=4 7136 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100102657272_100000746373 [0,0,0,1,0,0|3,0,0]=4 7137 B12R1.27 CNC(=O)NCC1CCOCC1 512a_100000746373_100102657272 [0,0,0,1,0,0|3,0,0]=4 7138 B12R1.27 CNC(=O)NCC1CCOCC1 512a_106832991638_100000746373 [0,0,0,1,0,0|3,0,0]=4 7139 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100015188806_106832991635 [0,0,0,1,0,0|3,0,0]=4 7140 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100102657272_100015188806 [0,0,0,1,0,0|3,0,0]=4 7141 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100015188806_100102657272 [0,0,0,1,0,0|3,0,0]=4 7142 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100102657272_100015188806 [0,0,0,1,0,0|3,0,0]=4 7143 B12R1.27 CNC(=O)NCC1CCSCC1 512a_100015188806_100102657272 [0,0,0,1,0,0|3,0,0]=4 7144 B12R1.27 CNC(=O)NCC1CCSCC1 512a_106832991638_100015188806 [0,0,0,1,0,0|3,0,0]=4 7145 B12R1.27 CNC(=O)NNC1CCCCC1 273464a_100102657272_100000709804 [0,0,0,1,0,0|3,0,0]=4 7146 B12R1.27 COC(=O)CCN1CC=CCC1 2230a_100000698166_100000204255 [0,0,0,1,0,0|1,0,2]=4 7147 B12R1.27 COC(=O)CCN1CC=CCC1 269982a_100000698166_100000204255 [0,0,0,1,0,0|1,0,2]=4 7148 B12R1.27 COC(=O)CCN1CC=CCC1 34a_100000698166_100000742370 [0,0,0,1,0,0|1,0,2]=4 7149 B12R1.27 COC(=O)CCN1CCCOC1 2230a_100000131196_100000204255 [0,0,0,1,0,0|2,0,0]=3 7150 B12R1.27 COC(=O)CCN1CCCOC1 269982a_100000131196_100000204255 [0,0,0,1,0,0|2,0,0]=3 7151 B12R1.27 COC(=O)CCN1CCCOC1 34a_100000131196_100000742370 [0,0,0,1,0,0|2,0,0]=3 7152 B12R1.27 COC(=O)CCN1CCOCC1 2230a_100015191051_100000204255 [0,0,0,1,0,0|2,0,0]=3 7153 B12R1.27 COC(=O)CCN1CCOCC1 269982a_100015191051_100000204255 [0,0,0,1,0,0|2,0,0]=3 7154 B12R1.27 COC(=O)CCN1CCOCC1 34a_100015191051_100000742370 [0,0,0,1,0,0|2,0,0]=3 7155 B12R1.27 COC(=O)CCN1CCSCC1 2230a_100000737611_100000204255 [0,0,0,1,0,0|2,0,0]=3 7156 B12R1.27 COC(=O)CCN1CCSCC1 269982a_100000737611_100000204255 [0,0,0,1,0,0|2,0,0]=3 7157 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [0,0,0,1,0,0|1,0,0]=2 7158 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [0,0,0,1,0,0|1,0,0]=2 7159 B12R1.27 COC(=O)CNC1CCCOC1 2230a_100000719290_100000747449 [0,0,0,1,0,0|2,0,0]=3 7160 B12R1.27 COC(=O)CNC1CCCOC1 34a_100000719290_100000747449 [0,0,0,1,0,0|2,0,0]=3 7161 B12R1.27 COC(=O)CNC1CCOCC1 2230a_100000741149_100000747449 [0,0,0,1,0,0|2,0,0]=3 7162 B12R1.27 COC(=O)CNC1CCOCC1 34a_100000741149_100000747449 [0,0,0,1,0,0|2,0,0]=3 7163 B12R1.27 COC(=O)CNC1CCSCC1 2230a_100000748639_100000747449 [0,0,0,1,0,0|2,0,0]=3 7164 B12R1.27 COC(=O)CNC1CCSCC1 34a_100000748639_100000747449 [0,0,0,1,0,0|2,0,0]=3 7165 B12R1.27 COC(=O)COC1C=CCCC1 34a_100011215024_100000747449 [0,0,0,1,0,0|1,0,2]=4 7166 B12R1.27 COC(=O)COC1CC=CCC1 34a_100000073881_100000747449 [0,0,0,1,0,0|1,0,2]=4 7167 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [0,0,0,1,0,0|1,0,0]=2 7168 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [0,0,0,1,0,0|1,0,0]=2 7169 B12R1.27 COC(=O)COC1CCCCO1 34a_100000033831_100000747449 [0,0,0,1,0,0|2,0,0]=3 7170 B12R1.27 COC(=O)COC1CCCOC1 34a_100000754041_100000747449 [0,0,0,1,0,0|2,0,0]=3 7171 B12R1.27 COC(=O)COC1CCCSC1 7a_100015962668_100000747449 [0,0,0,1,0,0|2,0,0]=3 7172 B12R1.27 COC(=O)COC1CCOCC1 34a_100000744328_100000747449 [0,0,0,1,0,0|2,0,0]=3 7173 B12R1.27 COC(=O)COC1CCSCC1 34a_100000731022_100000747449 [0,0,0,1,0,0|2,0,0]=3 7174 B12R1.27 COC(=O)COC1CCSCC1 7a_100000731022_100000747449 [0,0,0,1,0,0|2,0,0]=3 7175 B12R1.27 COC(=O)CSC1C=CCCC1 62a_100000747449_100000751183 [0,0,0,1,0,0|1,0,2]=4 7176 B12R1.27 COC(=O)CSC1C=CCCC1 62a_100000751183_100000747449 [0,0,0,1,0,0|1,0,2]=4 7177 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [0,0,0,1,0,0|1,0,0]=2 7178 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [0,0,0,1,0,0|1,0,0]=2 7179 B12R1.27 COC(=O)CSC1CCCOC1 62a_100000747449_100000693364 [0,0,0,1,0,0|2,0,0]=3 7180 B12R1.27 COC(=O)CSC1CCOCC1 62a_100000747449_100011324220 [0,0,0,1,0,0|2,0,0]=3 7181 B12R1.27 COC(=O)CSC1CCSCC1 62a_100000747449_100000069128 [0,0,0,1,0,0|2,0,0]=3 7182 B12R1.27 COC(C)CNC1CCCCC1 34a_100000202029_200000210301 [0,0,0,1,0,0|2,0,1]=4 7183 B12R1.27 COC(C)COC1CCCCC1 34a_100000690652_100000210327 [0,0,0,1,0,0|2,0,1]=4 7184 B12R1.27 COC(C)SCC1CCCCC1 62a_100000211423_100009879195 [0,0,0,1,0,0|2,0,1]=4 7185 B12R1.27 COC(C)SCC1CCCCC1 62a_100009879195_100000211423 [0,0,0,1,0,0|2,0,1]=4 7186 B12R1.27 CO[C@H](C)CNC1CCCCC1 270004a_100020591295_100000210434 [0,0,0,1,0,0|2,0,1]=4 7187 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [0,0,0,1,0,0|2,0,0]=3 7188 B12R1.27 O=C(CF)CCN1CCCCC1 1458a_100000743487_100015361967 [0,0,0,1,0,0|3,0,0]=4 7189 B12R1.27 O=C(CF)COC1CCCCC1 1458a_100011223303_100015361967 [0,0,0,1,0,0|3,0,0]=4 7190 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [0,0,0,1,0,0|2,0,0]=3 7191 B12R1.27 O=C(CO)CCC1CCOCC1 1458a_100000210174_100011934994 [0,0,0,1,0,0|3,0,0]=4 7192 B12R1.27 O=C(CO)CCN1CCCCC1 1458a_100000210174_100000739454 [0,0,0,1,0,0|3,0,0]=4 7193 B12R1.27 O=C(CO)COC1CCCCC1 1458a_100000210174_100011935260 [0,0,0,1,0,0|3,0,0]=4 7194 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [0,0,0,1,0,0|3,0,0]=4 7195 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [0,0,0,1,0,0|3,0,0]=4 7196 B12R1.77 C=CC(=O)N1CCCCC1CC 1626a_100000210034_100000185746 [0,0,0,1,0,0|2,0,1]=4 7197 B12R1.77 C=CC(=O)N1CCCCC1CC 240690a_100000210034_200121576911 [0,0,0,1,0,0|2,0,1]=4 7198 B12R1.77 CCC(=O)C1CCCCN1CC 1458a_100000743832_100000210202 [0,0,0,1,0,0|2,0,0]=3 7199 B12R1.77 CCC(=O)N1CCCCC1CC 11a_100000210034_100000210414 [0,0,0,1,0,0|2,0,0]=3 7200 B12R1.77 CCC(=O)N1CCCCC1CC 1626a_100000210034_100000210414 [0,0,0,1,0,0|2,0,0]=3 7201 B12R1.77 CCC(=O)N1CCCCC1CC 240690a_100000210034_100000210414 [0,0,0,1,0,0|2,0,0]=3 7202 B12R1.77 CCC(=O)N1CCCCC1CC 527a_100000210034_100000210414 [0,0,0,1,0,0|2,0,0]=3 7203 B12R1.77 CCC(=O)N1CCCCC1CO 240690a_100000210821_100000210414 [0,0,0,1,0,0|3,0,0]=4 7204 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 11a_100016988097_100000210414 [0,0,0,1,0,0|3,0,0]=4 7205 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100000210414 [0,0,0,1,0,0|3,0,0]=4 7206 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100000210414 [0,0,0,1,0,0|3,0,0]=4 7207 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 527a_100016988097_100000210414 [0,0,0,1,0,0|3,0,0]=4 7208 B12R1.77 CCC1CCCCN1C(=O)CO 240690a_100000210034_100000210174 [0,0,0,1,0,0|3,0,0]=4 7209 B12R1.77 CCC1CCCCN1C(=O)CO 527a_100000210034_100000210174 [0,0,0,1,0,0|3,0,0]=4 7210 B12R1.77 CCC1CCCCN1C(=O)NC 2708a_100102657272_100000210034 [0,0,0,1,0,0|2,0,0]=3 7211 B12R1.77 CCC1CCCCN1C(=O)NC 273464a_100102657272_100000210034 [0,0,0,1,0,0|2,0,0]=3 7212 B12R1.77 CCC1CCCCN1C(C)OC 269982a_100000210034_100009879195 [0,0,0,1,0,0|2,0,1]=4 7213 B12R1.77 CCN1CCCCC1C(=O)CF 1458a_100000743832_100015361967 [0,0,0,1,0,0|3,0,0]=4 7214 B12R1.77 CCN1CCCCC1C(=O)NC 11a_106832991635_100000743832 [0,0,0,1,0,0|2,0,0]=3 7215 B12R1.77 CCN1CCCCC1C(=O)NC 2230a_100011209383_100000210202 [0,0,0,1,0,0|2,0,0]=3 7216 B12R1.77 CCN1CCCCC1C(=O)NC 240690a_100102657272_100000743832 [0,0,0,1,0,0|2,0,0]=3 7217 B12R1.77 CCN1CCCCC1C(=O)NC 269982a_100011209383_100000204670 [0,0,0,1,0,0|2,0,0]=3 7218 B12R1.77 CCN1CCCCC1C(=O)NC 34a_100011209383_100000210202 [0,0,0,1,0,0|2,0,0]=3 7219 B12R1.77 CCN1CCCCC1C(=O)NC 527a_100102657272_100000743832 [0,0,0,1,0,0|2,0,0]=3 7220 B12R1.77 CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210202 [0,0,0,1,0,0|1,0,0]=2 7221 B12R1.77 CCN1CCCCC1C(=O)OC 269982a_100000734855_100000204670 [0,0,0,1,0,0|1,0,0]=2 7222 B12R1.77 CCN1CCCCC1C(=O)OC 34a_100000734855_100000210202 [0,0,0,1,0,0|1,0,0]=2 7223 B12R1.77 CCN1CCOCC1C(=O)OC 2230a_100000765174_100000210202 [0,0,0,1,0,0|2,0,0]=3 7224 B12R1.77 CCN1CCOCC1C(=O)OC 34a_100000765174_100000210202 [0,0,0,1,0,0|2,0,0]=3 7225 B12R1.77 CC[C@H]1COCCN1C(=O)NC 2708a_100102657272_100016988097 [0,0,0,1,0,0|3,0,0]=4 7226 B12R1.77 CC[C@H]1COCCN1C(=O)NC 273464a_100102657272_100016988097 [0,0,0,1,0,0|3,0,0]=4 7227 B12R1.77 CNC(=O)C1CCCCN1CF 269982a_100011209383_100015361967 [0,0,0,1,0,0|3,0,0]=4 7228 B12R1.77 CNC(=O)C1CCCCN1CF 34a_100011209383_100015361967 [0,0,0,1,0,0|3,0,0]=4 7229 B12R1.77 CNC(=O)N1CCCCC1CO 2708a_100102657272_100000210821 [0,0,0,1,0,0|3,0,0]=4 7230 B12R1.77 CNC(=O)N1CCCCC1CO 273464a_100102657272_100000210821 [0,0,0,1,0,0|3,0,0]=4 7231 B12R1.77 COC(=O)C1CCCCN1CF 269982a_100000734855_100015361967 [0,0,0,1,0,0|2,0,0]=3 7232 B12R1.77 COC(=O)C1CCCCN1CF 34a_100000734855_100015361967 [0,0,0,1,0,0|2,0,0]=3 7233 B12R1.77 COC(=O)C1CNCCC1OC 34a_200103168510_200000210301 [0,0,0,1,0,0|2,0,0]=3 7234 B12R1.77 COC(=O)C1CNCCC1O[13CH3] 34a_200103168510_200025704644 [0,0,0,1,0,0|2,0,0]=3 7235 B12R1.77 COC(=O)C1COCCN1CF 34a_100000765174_100015361967 [0,0,0,1,0,0|3,0,0]=4 7236 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 34a_100015709673_200000210301 [0,0,0,1,0,0|1,0,0]=2 7237 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 7a_100015709673_200000210301 [0,0,0,1,0,0|1,0,0]=2 7238 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 34a_100015709673_200025704644 [0,0,0,1,0,0|1,0,0]=2 7239 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 7a_100015709673_200025704644 [0,0,0,1,0,0|1,0,0]=2 7240 B12R1.82 CCC(=O)CN1CCCC1CC 269982a_100000754278_100000747405 [0,0,0,1,0,0|2,0,0]=3 7241 B12R1.82 CCC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747405 [0,0,0,1,0,0|3,0,0]=4 7242 B12R1.82 CCC1C=CCN1CC(=O)OC 2230a_100000730860_100000747449 [0,0,0,1,0,0|1,0,2]=4 7243 B12R1.82 CCC1C=CCN1CC(=O)OC 269982a_100000730860_100000747449 [0,0,0,1,0,0|1,0,2]=4 7244 B12R1.82 CCC1C=CCN1CC(=O)OC 34a_100000730860_100000747449 [0,0,0,1,0,0|1,0,2]=4 7245 B12R1.82 CCC1CCCN1CC(=O)NC 2230a_100000754278_100000183359 [0,0,0,1,0,0|2,0,0]=3 7246 B12R1.82 CCC1CCCN1CC(=O)NC 269982a_100000754278_100000183359 [0,0,0,1,0,0|2,0,0]=3 7247 B12R1.82 CCC1CCCN1CC(=O)NC 34a_100000754278_100000183359 [0,0,0,1,0,0|2,0,0]=3 7248 B12R1.82 CCC1CCCN1CC(=O)OC 2230a_100000754278_100000747449 [0,0,0,1,0,0|1,0,0]=2 7249 B12R1.82 CCC1CCCN1CC(=O)OC 269982a_100000754278_100000747449 [0,0,0,1,0,0|1,0,0]=2 7250 B12R1.82 CCC1CCCN1CC(=O)OC 34a_100000754278_100000747449 [0,0,0,1,0,0|1,0,0]=2 7251 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210202 [0,0,0,1,0,0|1,0,0]=2 7252 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000204670 [0,0,0,1,0,0|1,0,0]=2 7253 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210202 [0,0,0,1,0,0|1,0,0]=2 7254 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000183359 [0,0,0,1,0,0|3,0,0]=4 7255 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000183359 [0,0,0,1,0,0|3,0,0]=4 7256 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000183359 [0,0,0,1,0,0|3,0,0]=4 7257 B12R1.82 COC(=O)CN1CCCC1C#N 2230a_100000701862_100000747449 [0,0,0,1,0,0|2,0,1]=4 7258 B12R1.82 COC(=O)CN1CCC[C@@H]1C#N 2230a_106645074975_100000747449 [0,0,0,1,0,0|2,0,1]=4 7259 B12R1.82 COC(=O)CN1CCC[C@@H]1C#N 269982a_106645074975_100000747449 [0,0,0,1,0,0|2,0,1]=4 7260 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747449 [0,0,0,1,0,0|2,0,0]=3 7261 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747449 [0,0,0,1,0,0|2,0,0]=3 7262 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000747449 [0,0,0,1,0,0|2,0,0]=3 7263 B12R1.82 COC(=O)C[C@H]1CCCN1CF 269982a_100025726698_100015361967 [0,0,0,1,0,0|2,0,0]=3 7264 B12R1.82 COC(=O)C[C@H]1CCCN1CF 34a_100025726698_100015361967 [0,0,0,1,0,0|2,0,0]=3 7265 B12R1.163 CCC(=O)CN1CCC1COC 269982a_100015195929_100000747405 [0,0,0,1,0,0|3,0,0]=4 7266 B12R1.163 CNC(=O)CN1CCC1COC 2230a_100015195929_100000183359 [0,0,0,1,0,0|3,0,0]=4 7267 B12R1.163 CNC(=O)CN1CCC1COC 269982a_100015195929_100000183359 [0,0,0,1,0,0|3,0,0]=4 7268 B12R1.163 CNC(=O)CN1CCC1COC 34a_100015195929_100000183359 [0,0,0,1,0,0|3,0,0]=4 7269 B12R1.163 COCC1CCN1CC(=O)OC 2230a_100015195929_100000747449 [0,0,0,1,0,0|2,0,0]=3 7270 B12R1.163 COCC1CCN1CC(=O)OC 269982a_100015195929_100000747449 [0,0,0,1,0,0|2,0,0]=3 7271 B12R1.163 COCC1CCN1CC(=O)OC 34a_100015195929_100000747449 [0,0,0,1,0,0|2,0,0]=3 7272 B12R1.272 CCCCCCCCN1CCC1 269982a_100000754969_100000210759 [0,0,0,1,0,0|3,0,0]=4 7273 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [0,0,0,1,0,0|2,0,1]=4 7274 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [0,0,0,1,0,0|2,0,1]=4 7275 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [0,0,0,1,0,0|2,0,1]=4 7276 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [0,0,0,1,0,0|2,0,1]=4 7277 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [0,0,0,1,0,0|2,0,1]=4 7278 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [0,0,0,1,0,0|2,0,1]=4 7279 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [0,0,0,1,0,0|2,0,1]=4 7280 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [0,0,0,1,0,0|2,0,1]=4 7281 B12R1.291 C#CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000038162 [0,0,0,1,0,0|1,0,2]=4 7282 B12R1.291 C=CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210623 [0,0,0,1,0,0|1,0,2]=4 7283 B12R1.291 C=CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210623 [0,0,0,1,0,0|1,0,2]=4 7284 B12R1.291 CCC(=O)N1CCC[C@H]1COC 11a_100020646714_100000210414 [0,0,0,1,0,0|3,0,0]=4 7285 B12R1.291 CCC(=O)N1CCC[C@H]1COC 1626a_100020646714_100000210414 [0,0,0,1,0,0|3,0,0]=4 7286 B12R1.291 CCC(=O)N1CCC[C@H]1COC 240690a_100020646714_100000210414 [0,0,0,1,0,0|3,0,0]=4 7287 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210303 [0,0,0,1,0,0|2,0,0]=3 7288 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210303 [0,0,0,1,0,0|2,0,0]=3 7289 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210303 [0,0,0,1,0,0|2,0,0]=3 7290 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210303 [0,0,0,1,0,0|1,0,0]=2 7291 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210303 [0,0,0,1,0,0|1,0,0]=2 7292 B12R1.291 CCCN1CCSC1C(=O)OC 2230a_100015296106_100000210303 [0,0,0,1,0,0|2,0,0]=3 7293 B12R1.291 CCCN1CCSC1C(=O)OC 269982a_100015296106_100000210303 [0,0,0,1,0,0|2,0,0]=3 7294 B12R1.291 CCCN1CSCC1C(=O)OC 269982a_200000724679_100000210303 [0,0,0,1,0,0|2,0,0]=3 7295 B12R1.291 CCOC1CCCC1C(=O)OC 34a_200000081814_100000210202 [0,0,0,1,0,0|1,0,0]=2 7296 B12R1.291 CCOC1CCCC1C(=O)OC 7a_200000081814_100000210202 [0,0,0,1,0,0|1,0,0]=2 7297 B12R1.291 CNC(=O)N1CCC[C@H]1COC 2708a_100102657272_100020646714 [0,0,0,1,0,0|3,0,0]=4 7298 B12R1.291 CNC(=O)N1CCC[C@H]1COC 273464a_100102657272_100020646714 [0,0,0,1,0,0|3,0,0]=4 7299 B12R1.291 CNC(=O)[C@@H]1CCCN1CCF 2230a_100015185040_100011217306 [0,0,0,1,0,0|3,0,0]=4 7300 B12R1.291 CNC(=O)[C@@H]1CCCN1CCF 269982a_100015185040_100011217306 [0,0,0,1,0,0|3,0,0]=4 7301 B12R1.291 CNC(=O)[C@@H]1CCCN1CCF 34a_100015185040_100011217306 [0,0,0,1,0,0|3,0,0]=4 7302 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 2230a_100015185040_100000211926 [0,0,0,1,0,0|3,0,0]=4 7303 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 269982a_100015185040_100000211926 [0,0,0,1,0,0|3,0,0]=4 7304 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 34a_100015185040_100000211926 [0,0,0,1,0,0|3,0,0]=4 7305 B12R1.291 CNC(=O)[C@@H]1CCCN1COC 2230a_100015185040_100000766300 [0,0,0,1,0,0|3,0,0]=4 7306 B12R1.291 CNC(=O)[C@@H]1CCCN1COC 269982a_100015185040_100000766300 [0,0,0,1,0,0|3,0,0]=4 7307 B12R1.291 CNC(=O)[C@@H]1CCCN1CSC 2230a_100015185040_100011218213 [0,0,0,1,0,0|3,0,0]=4 7308 B12R1.291 CNC(=O)[C@@H]1CCCN1CSC 269982a_100015185040_100011218213 [0,0,0,1,0,0|3,0,0]=4 7309 B12R1.291 CNC(=O)[C@@H]1CCCN1CSC 34a_100015185040_100011218213 [0,0,0,1,0,0|3,0,0]=4 7310 B12R1.291 COC(=O)C1CCCC1OCF 34a_200000081814_100015361967 [0,0,0,1,0,0|2,0,0]=3 7311 B12R1.291 COC(=O)C1CCCC1OCF 7a_200000081814_100015361967 [0,0,0,1,0,0|2,0,0]=3 7312 B12R1.291 COC(=O)C1CSCN1CCF 269982a_200000724679_100011217306 [0,0,0,1,0,0|3,0,0]=4 7313 B12R1.291 COC(=O)C1CSCN1CCO 269982a_200000724679_100000211926 [0,0,0,1,0,0|3,0,0]=4 7314 B12R1.291 COC(=O)C1CSCN1CSC 269982a_200000724679_100011218213 [0,0,0,1,0,0|3,0,0]=4 7315 B12R1.291 COC(=O)C1SCCN1CCF 2230a_100015296106_100011217306 [0,0,0,1,0,0|3,0,0]=4 7316 B12R1.291 COC(=O)C1SCCN1CCF 269982a_100015296106_100011217306 [0,0,0,1,0,0|3,0,0]=4 7317 B12R1.291 COC(=O)C1SCCN1CCO 2230a_100015296106_100000211926 [0,0,0,1,0,0|3,0,0]=4 7318 B12R1.291 COC(=O)C1SCCN1CCO 269982a_100015296106_100000211926 [0,0,0,1,0,0|3,0,0]=4 7319 B12R1.291 COC(=O)C1SCCN1CSC 2230a_100015296106_100011218213 [0,0,0,1,0,0|3,0,0]=4 7320 B12R1.291 COC(=O)C1SCCN1CSC 269982a_100015296106_100011218213 [0,0,0,1,0,0|3,0,0]=4 7321 B12R1.291 COC(=O)[C@@H]1CCCN1CC#N 2230a_100000752040_100011215382 [0,0,0,1,0,0|2,0,1]=4 7322 B12R1.291 COC(=O)[C@@H]1CCCN1CC#N 269982a_100000752040_100011214920 [0,0,0,1,0,0|2,0,1]=4 7323 B12R1.291 COC(=O)[C@@H]1CCCN1CC=O 2230a_100000752040_200015260668 [0,0,0,1,0,0|2,0,1]=4 7324 B12R1.291 COC(=O)[C@@H]1CCCN1CC=O 269982a_100000752040_200015260668 [0,0,0,1,0,0|2,0,1]=4 7325 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 2230a_100000752040_100011217306 [0,0,0,1,0,0|2,0,0]=3 7326 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 269982a_100000752040_100011217306 [0,0,0,1,0,0|2,0,0]=3 7327 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 2230a_100000752040_100000211926 [0,0,0,1,0,0|2,0,0]=3 7328 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 269982a_100000752040_100000211926 [0,0,0,1,0,0|2,0,0]=3 7329 B12R1.291 COC(=O)[C@@H]1CCCN1CSC 2230a_100000752040_100011218213 [0,0,0,1,0,0|2,0,0]=3 7330 B12R1.291 COC(=O)[C@@H]1CCCN1CSC 269982a_100000752040_100011218213 [0,0,0,1,0,0|2,0,0]=3 7331 B12R1.291 COCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000766300 [0,0,0,1,0,0|2,0,0]=3 7332 B12R1.291 COCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000766300 [0,0,0,1,0,0|2,0,0]=3 7333 B12R1.291 COCN1CCSC1C(=O)OC 2230a_100015296106_100000766300 [0,0,0,1,0,0|3,0,0]=4 7334 B12R1.291 COCN1CCSC1C(=O)OC 269982a_100015296106_100000766300 [0,0,0,1,0,0|3,0,0]=4 7335 B12R1.291 COCN1CSCC1C(=O)OC 269982a_200000724679_100000766300 [0,0,0,1,0,0|3,0,0]=4 7336 B12R1.327 C#CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000688953 [0,0,0,1,0,0|1,0,2]=4 7337 B12R1.327 C#CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000730999 [0,0,0,1,0,0|1,0,2]=4 7338 B12R1.327 C/C=C/CN1CC[C@H]1C(=O)OC 269982a_102516456887_100102629194 [0,0,0,1,0,0|1,0,2]=4 7339 B12R1.327 C=CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000754431 [0,0,0,1,0,0|1,0,2]=4 7340 B12R1.327 C=CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000754431 [0,0,0,1,0,0|1,0,2]=4 7341 B12R1.327 CC#CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000748600 [0,0,0,1,0,0|1,0,2]=4 7342 B12R1.327 CC=CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000070051 [0,0,0,1,0,0|1,0,2]=4 7343 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210211 [0,0,0,1,0,0|1,0,0]=2 7344 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210211 [0,0,0,1,0,0|1,0,0]=2 7345 B12R1.327 CCOCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000739092 [0,0,0,1,0,0|2,0,0]=3 7346 B12R1.327 COC(=O)[C@@H]1CCN1CCC#N 2230a_102516456887_100011215226 [0,0,0,1,0,0|2,0,1]=4 7347 B12R1.327 COC(=O)[C@@H]1CCN1CCC#N 269982a_102516456887_100011215226 [0,0,0,1,0,0|2,0,1]=4 7348 B12R1.327 COC(=O)[C@@H]1CCN1CCCF 2230a_102516456887_100011934791 [0,0,0,1,0,0|2,0,0]=3 7349 B12R1.327 COC(=O)[C@@H]1CCN1CCCF 269982a_102516456887_100011934791 [0,0,0,1,0,0|2,0,0]=3 7350 B12R1.327 COC(=O)[C@@H]1CCN1CCCO 2230a_102516456887_100000230001 [0,0,0,1,0,0|2,0,0]=3 7351 B12R1.327 COC(=O)[C@@H]1CCN1CCCO 269982a_102516456887_100011215043 [0,0,0,1,0,0|2,0,0]=3 7352 B12R1.327 COC(=O)[C@@H]1CCN1CCSC 2230a_102516456887_100000751147 [0,0,0,1,0,0|2,0,0]=3 7353 B12R1.327 COC(=O)[C@@H]1CCN1CCSC 269982a_102516456887_100000212216 [0,0,0,1,0,0|2,0,0]=3 7354 B12R1.327 COCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011201679 [0,0,0,1,0,0|2,0,0]=3 7355 B12R1.327 COCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000233755 [0,0,0,1,0,0|2,0,0]=3 7356 B12R1.348 CCCCN1CCNC(=O)CC1 2230a_100000698595_100000210211 [0,0,0,1,0,0|3,0,0]=4 7357 B12R1.348 CCCCN1CCNC(=O)CC1 269982a_100000698595_100000210211 [0,0,0,1,0,0|3,0,0]=4 7358 B12R1.353 C#CC(=O)CCC1CCCN1C 1458a_100000211873_100000005710 [0,0,0,1,0,0|2,0,1]=4 7359 B12R1.353 C=CC(=O)CCC1CCCN1C 1458a_100000185746_100000005710 [0,0,0,1,0,0|2,0,1]=4 7360 B12R1.353 CCC(=O)CCC1CCCN1C 1458a_100000210414_100000005710 [0,0,0,1,0,0|2,0,0]=3 7361 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [0,0,0,1,0,0|2,0,0]=3 7362 B12R1.353 CCC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747405_200016002552 [0,0,0,1,0,0|3,0,0]=4 7363 B12R1.353 CCC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747405 [0,0,0,1,0,0|3,0,0]=4 7364 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000210414 [0,0,0,1,0,0|3,0,0]=4 7365 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000210414 [0,0,0,1,0,0|3,0,0]=4 7366 B12R1.353 CN1CCCC1CCC(=O)CO 1458a_100000210174_100000005710 [0,0,0,1,0,0|3,0,0]=4 7367 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737683 [0,0,0,1,0,0|2,0,0]=3 7368 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737683 [0,0,0,1,0,0|2,0,0]=3 7369 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737683 [0,0,0,1,0,0|2,0,0]=3 7370 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737683 [0,0,0,1,0,0|2,0,0]=3 7371 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 34a_100015189458_100012179268 [0,0,0,1,0,0|2,0,0]=3 7372 B12R1.353 CNC(=O)CCN1CCSC1C 2230a_200011216479_100000737683 [0,0,0,1,0,0|3,0,0]=4 7373 B12R1.353 CNC(=O)CCN1CCSC1C 269982a_200011216479_100000737683 [0,0,0,1,0,0|3,0,0]=4 7374 B12R1.353 CNC(=O)CCN1CCSC1C 34a_200011216479_100012179268 [0,0,0,1,0,0|3,0,0]=4 7375 B12R1.353 CNC(=O)CNC1CCCC1C 269862a_100000693194_100000752053 [0,0,0,1,0,0|2,0,0]=3 7376 B12R1.353 CNC(=O)CNC1CCOC1C 270004a_100000693194_100000691750 [0,0,0,1,0,0|3,0,0]=4 7377 B12R1.353 CNC(=O)COC1CCCC1C 34a_100011216460_100000183359 [0,0,0,1,0,0|2,0,0]=3 7378 B12R1.353 CNC(=O)COC1CCCC1C 7a_100011216460_100000183359 [0,0,0,1,0,0|2,0,0]=3 7379 B12R1.353 CNC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000183359 [0,0,0,1,0,0|3,0,0]=4 7380 B12R1.353 CNC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000183359 [0,0,0,1,0,0|3,0,0]=4 7381 B12R1.353 CNC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000183359 [0,0,0,1,0,0|3,0,0]=4 7382 B12R1.353 CNC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000183359_200016002552 [0,0,0,1,0,0|3,0,0]=4 7383 B12R1.353 CNC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000183359 [0,0,0,1,0,0|3,0,0]=4 7384 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100009821018_106832991635 [0,0,0,1,0,0|3,0,0]=4 7385 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100102657272_100009821018 [0,0,0,1,0,0|3,0,0]=4 7386 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100009821018_100102657272 [0,0,0,1,0,0|3,0,0]=4 7387 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100102657272_100009821018 [0,0,0,1,0,0|3,0,0]=4 7388 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_100009821018_100102657272 [0,0,0,1,0,0|3,0,0]=4 7389 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_106832991638_100009821018 [0,0,0,1,0,0|3,0,0]=4 7390 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000204255 [0,0,0,1,0,0|1,0,0]=2 7391 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000204255 [0,0,0,1,0,0|1,0,0]=2 7392 B12R1.353 COC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000204255 [0,0,0,1,0,0|1,0,0]=2 7393 B12R1.353 COC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000204255 [0,0,0,1,0,0|1,0,0]=2 7394 B12R1.353 COC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000742370 [0,0,0,1,0,0|1,0,0]=2 7395 B12R1.353 COC(=O)CCN1CCSC1C 2230a_200011216479_100000204255 [0,0,0,1,0,0|2,0,0]=3 7396 B12R1.353 COC(=O)CCN1CCSC1C 269982a_200011216479_100000204255 [0,0,0,1,0,0|2,0,0]=3 7397 B12R1.353 COC(=O)CCN1CCSC1C 34a_200011216479_100000742370 [0,0,0,1,0,0|2,0,0]=3 7398 B12R1.353 COC(=O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100000747449 [0,0,0,1,0,0|3,0,0]=4 7399 B12R1.353 COC(=O)COC1CCCC1=O 34a_200000719330_100000747449 [0,0,0,1,0,0|2,0,1]=4 7400 B12R1.353 COC(=O)COC1CCCC1C 34a_100011216460_100000747449 [0,0,0,1,0,0|1,0,0]=2 7401 B12R1.353 COC(=O)COC1CCCC1C 7a_100011216460_100000747449 [0,0,0,1,0,0|1,0,0]=2 7402 B12R1.353 COC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000747449 [0,0,0,1,0,0|2,0,0]=3 7403 B12R1.353 COC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000747449 [0,0,0,1,0,0|2,0,0]=3 7404 B12R1.353 COC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000747449 [0,0,0,1,0,0|2,0,0]=3 7405 B12R1.353 COC(=O)CO[C@H]1COC[C@@H]1N 34a_100015191717_100000747449 [0,0,0,1,0,0|3,0,0]=4 7406 B12R1.353 COC(=O)CSC1CCCC1=O 62a_100000211823_100000747449 [0,0,0,1,0,0|2,0,1]=4 7407 B12R1.353 COC(=O)CSC1CCCC1=O 62a_100000747449_100000211823 [0,0,0,1,0,0|2,0,1]=4 7408 B12R1.353 COC(=O)CSC1COCC1O 62a_100000747449_200000725654 [0,0,0,1,0,0|3,0,0]=4 7409 B12R1.353 COC(=O)CSC1COCC1O 62a_200000725654_100000747449 [0,0,0,1,0,0|3,0,0]=4 7410 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747449_200016002552 [0,0,0,1,0,0|2,0,0]=3 7411 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747449 [0,0,0,1,0,0|2,0,0]=3 7412 B12R1.353 CO[C@H](C)CNC1CCCC1C 269862a_100020591295_100000752053 [0,0,0,1,0,0|2,0,1]=4 7413 B12R1.355 CNC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000741757 [0,0,0,1,0,0|3,0,0]=4 7414 B12R1.355 CNC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000741757 [0,0,0,1,0,0|3,0,0]=4 7415 B12R1.355 CNC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000741757 [0,0,0,1,0,0|3,0,0]=4 7416 B12R1.355 CNC(=O)CCOCC1CC1C 34a_100000744939_100012179268 [0,0,0,1,0,0|2,0,0]=3 7417 B12R1.355 CNC(=O)CCOCC1CC1C 7a_100000744939_100000737683 [0,0,0,1,0,0|2,0,0]=3 7418 B12R1.355 COC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218270 [0,0,0,1,0,0|2,0,0]=3 7419 B12R1.355 COC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011218270 [0,0,0,1,0,0|2,0,0]=3 7420 B12R1.355 COC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000742333 [0,0,0,1,0,0|2,0,0]=3 7421 B12R1.355 COC(=O)CCOCC1CC1C 34a_100000744939_100000742370 [0,0,0,1,0,0|1,0,0]=2 7422 B12R1.355 COC(=O)CCOCC1CC1C 7a_100000744939_100000204255 [0,0,0,1,0,0|1,0,0]=2 7423 B12R1.356 CCC(=O)NCCNC1CCC1 270004a_100132302217_100000241760 [0,0,0,1,0,0|3,0,0]=4 7424 B12R1.356 CCC(=O)NCCNC1CCC1 34a_100132302217_100000749161 [0,0,0,1,0,0|3,0,0]=4 7425 B12R1.356 CCC(=O)NCCOC1CCC1 34a_200000158885_100000749161 [0,0,0,1,0,0|3,0,0]=4 7426 B12R1.356 CNC(=O)CCCNC1CCC1 2230a_100000749019_100000741757 [0,0,0,1,0,0|2,0,0]=3 7427 B12R1.356 CNC(=O)CCCNC1CCC1 270004a_100000740002_100000241760 [0,0,0,1,0,0|2,0,0]=3 7428 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000740002_100000749161 [0,0,0,1,0,0|2,0,0]=3 7429 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000749019_100000741757 [0,0,0,1,0,0|2,0,0]=3 7430 B12R1.356 CNC(=O)CCCNC1COC1 2230a_100016991112_100000741757 [0,0,0,1,0,0|3,0,0]=4 7431 B12R1.356 CNC(=O)CCCNC1COC1 34a_100000740002_100009818527 [0,0,0,1,0,0|3,0,0]=4 7432 B12R1.356 CNC(=O)CCCOC1CCC1 34a_100000748187_100000741757 [0,0,0,1,0,0|2,0,0]=3 7433 B12R1.356 CNC(=O)CCCOC1CSC1 7a_100000072292_100000741757 [0,0,0,1,0,0|3,0,0]=4 7434 B12R1.356 CNC(=O)CCCSC1CCC1 62a_100000741757_100000749161 [0,0,0,1,0,0|2,0,0]=3 7435 B12R1.356 CNC(=O)CCCSC1COC1 62a_100000741757_100009818527 [0,0,0,1,0,0|3,0,0]=4 7436 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738227_100000763275 [0,0,0,1,0,0|2,0,0]=3 7437 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738700_100000737683 [0,0,0,1,0,0|2,0,0]=3 7438 B12R1.356 CNC(=O)CCNCC1CCC1 269862a_100000738227_100000753134 [0,0,0,1,0,0|2,0,0]=3 7439 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738227_100000763275 [0,0,0,1,0,0|2,0,0]=3 7440 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738700_100012179268 [0,0,0,1,0,0|2,0,0]=3 7441 B12R1.356 CNC(=O)CCNCC1CCO1 2230a_100000738227_100000103362 [0,0,0,1,0,0|3,0,0]=4 7442 B12R1.356 CNC(=O)CCNCC1CCO1 34a_100000738227_100000103362 [0,0,0,1,0,0|3,0,0]=4 7443 B12R1.356 CNC(=O)CCNCC1COC1 2230a_100000738227_100010264016 [0,0,0,1,0,0|3,0,0]=4 7444 B12R1.356 CNC(=O)CCNCC1COC1 2230a_100015281925_100000737683 [0,0,0,1,0,0|3,0,0]=4 7445 B12R1.356 CNC(=O)CCNCC1COC1 34a_100000738227_100010264016 [0,0,0,1,0,0|3,0,0]=4 7446 B12R1.356 CNC(=O)CCNCC1COC1 34a_100015281925_100012179268 [0,0,0,1,0,0|3,0,0]=4 7447 B12R1.356 CNC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000737683 [0,0,0,1,0,0|3,0,0]=4 7448 B12R1.356 CNC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100012179268 [0,0,0,1,0,0|3,0,0]=4 7449 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000754576_100000763275 [0,0,0,1,0,0|2,0,0]=3 7450 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000760304_100012179268 [0,0,0,1,0,0|2,0,0]=3 7451 B12R1.356 CNC(=O)CCOCC1CCO1 34a_100000039022_100012179268 [0,0,0,1,0,0|3,0,0]=4 7452 B12R1.356 CNC(=O)CCOCC1CCO1 34a_100000754576_100000103362 [0,0,0,1,0,0|3,0,0]=4 7453 B12R1.356 CNC(=O)CCOCC1CNC1 34a_100016987283_100012179268 [0,0,0,1,0,0|3,0,0]=4 7454 B12R1.356 CNC(=O)CCOCC1COC1 34a_100000060846_100012179268 [0,0,0,1,0,0|3,0,0]=4 7455 B12R1.356 CNC(=O)CCOCC1COC1 34a_100000754576_100010264016 [0,0,0,1,0,0|3,0,0]=4 7456 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000737683_100000763275 [0,0,0,1,0,0|2,0,0]=3 7457 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000763275_100000737683 [0,0,0,1,0,0|2,0,0]=3 7458 B12R1.356 CNC(=O)CCSCC1CCO1 62a_100000103362_100000737683 [0,0,0,1,0,0|3,0,0]=4 7459 B12R1.356 CNC(=O)CCSCC1CCO1 62a_100000737683_100000103362 [0,0,0,1,0,0|3,0,0]=4 7460 B12R1.356 CNC(=O)CCSCC1COC1 62a_100000737683_100010264016 [0,0,0,1,0,0|3,0,0]=4 7461 B12R1.356 CNC(=O)CCSCC1COC1 62a_100010264016_100000737683 [0,0,0,1,0,0|3,0,0]=4 7462 B12R1.356 CNC(=O)COCCC1COC1 34a_100009855314_100000183359 [0,0,0,1,0,0|3,0,0]=4 7463 B12R1.356 CNC(=O)NCCNC1CCC1 34a_100015205895_100000749161 [0,0,0,1,0,0|3,0,0]=4 7464 B12R1.356 CNC(=O)OCCNC1CCC1 34a_100000749019_200011997002 [0,0,0,1,0,0|3,0,0]=4 7465 B12R1.356 CNC(=O)OCCOC1CCC1 34a_100000748187_200011997002 [0,0,0,1,0,0|3,0,0]=4 7466 B12R1.356 CNC(=O)OCCSC1CCC1 62a_200011997002_100000749161 [0,0,0,1,0,0|3,0,0]=4 7467 B12R1.356 COC(=O)/C=C/CNC1CCC1 2230a_100000749019_100000742655 [0,0,0,1,0,0|1,0,2]=4 7468 B12R1.356 COC(=O)/C=C/CNC1CCC1 34a_100000749019_100000742655 [0,0,0,1,0,0|1,0,2]=4 7469 B12R1.356 COC(=O)/C=C/COC1CCC1 34a_100000748187_100000742655 [0,0,0,1,0,0|1,0,2]=4 7470 B12R1.356 COC(=O)/C=C/CSC1CCC1 62a_100000742655_100000749161 [0,0,0,1,0,0|1,0,2]=4 7471 B12R1.356 COC(=O)C=NNCC1CCC1 4a_200020586977_200011823558 [0,0,0,1,0,0|2,0,1]=4 7472 B12R1.356 COC(=O)CC=NNC1CCC1 4a_100000736358_200011552997 [0,0,0,1,0,0|2,0,1]=4 7473 B12R1.356 COC(=O)CCCCN1CCC1 269982a_100000754969_100000204269 [0,0,0,1,0,0|1,0,0]=2 7474 B12R1.356 COC(=O)CCCNC1CCC1 2230a_100000749019_100011218270 [0,0,0,1,0,0|1,0,0]=2 7475 B12R1.356 COC(=O)CCCNC1CCC1 34a_100000749019_100000742333 [0,0,0,1,0,0|1,0,0]=2 7476 B12R1.356 COC(=O)CCCNC1COC1 2230a_100016991112_100011218270 [0,0,0,1,0,0|2,0,0]=3 7477 B12R1.356 COC(=O)CCCOC1CCC1 34a_100000748187_100000742333 [0,0,0,1,0,0|1,0,0]=2 7478 B12R1.356 COC(=O)CCCOC1CSC1 7a_100000072292_100011218270 [0,0,0,1,0,0|2,0,0]=3 7479 B12R1.356 COC(=O)CCCSC1CCC1 62a_100011218270_100000749161 [0,0,0,1,0,0|1,0,0]=2 7480 B12R1.356 COC(=O)CCCSC1COC1 62a_100011218270_100009818527 [0,0,0,1,0,0|2,0,0]=3 7481 B12R1.356 COC(=O)CCNCC1CCC1 2230a_100000738700_100000204255 [0,0,0,1,0,0|1,0,0]=2 7482 B12R1.356 COC(=O)CCNCC1CCC1 34a_100000738700_100000742370 [0,0,0,1,0,0|1,0,0]=2 7483 B12R1.356 COC(=O)CCNCC1COC1 2230a_100015281925_100000204255 [0,0,0,1,0,0|2,0,0]=3 7484 B12R1.356 COC(=O)CCNCC1COC1 34a_100015281925_100000742370 [0,0,0,1,0,0|2,0,0]=3 7485 B12R1.356 COC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000204255 [0,0,0,1,0,0|2,0,0]=3 7486 B12R1.356 COC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000742370 [0,0,0,1,0,0|2,0,0]=3 7487 B12R1.356 COC(=O)CCOCC1CCC1 34a_100000760304_100000742370 [0,0,0,1,0,0|1,0,0]=2 7488 B12R1.356 COC(=O)CCOCC1CCO1 34a_100000039022_100000742370 [0,0,0,1,0,0|2,0,0]=3 7489 B12R1.356 COC(=O)CCOCC1CNC1 34a_100016987283_100000742370 [0,0,0,1,0,0|2,0,0]=3 7490 B12R1.356 COC(=O)CCOCC1COC1 34a_100000060846_100000742370 [0,0,0,1,0,0|2,0,0]=3 7491 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000204255_100000763275 [0,0,0,1,0,0|1,0,0]=2 7492 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000763275_100000204255 [0,0,0,1,0,0|1,0,0]=2 7493 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000103362_100000204255 [0,0,0,1,0,0|2,0,0]=3 7494 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000204255_100000103362 [0,0,0,1,0,0|2,0,0]=3 7495 B12R1.356 COC(=O)CCSCC1COC1 62a_100000204255_100010264016 [0,0,0,1,0,0|2,0,0]=3 7496 B12R1.356 COC(=O)CCSCC1COC1 62a_100010264016_100000204255 [0,0,0,1,0,0|2,0,0]=3 7497 B12R1.356 COC(=O)COCCC1COC1 34a_100009855314_100000747449 [0,0,0,1,0,0|2,0,0]=3 7498 B12R1.356 COC(=O)NCCOC1CCC1 34a_100000757965_100000749161 [0,0,0,1,0,0|2,0,0]=3 7499 B12R1.356 COC(=O)NCCOC1COC1 34a_100000757965_100009818527 [0,0,0,1,0,0|3,0,0]=4 7500 B12R1.356 COC(=O)OCCOC1CCC1 34a_100010262106_100000749161 [0,0,0,1,0,0|2,0,0]=3 7501 B12R1.356 COC(=O)OCCOC1COC1 34a_100010262106_100009818527 [0,0,0,1,0,0|3,0,0]=4 7502 B12R1.356 COC(=O)OCSCC1CCC1 62a_100000763275_100000139417 [0,0,0,1,0,0|2,0,0]=3 7503 B12R1.356 COC(=O)OCSCC1CCO1 62a_100000103362_100000139417 [0,0,0,1,0,0|3,0,0]=4 7504 B12R1.356 COC(=O)OCSCC1COC1 62a_100010264016_100000139417 [0,0,0,1,0,0|3,0,0]=4 7505 B12R1.356 COC(C)CCOCC1CCC1 7a_100000764861_100000763275 [0,0,0,1,0,0|2,0,1]=4 7506 B12R1.356 NNC(=O)CCCOC1CCC1 34a_100000211488_100000749161 [0,0,0,1,0,0|3,0,0]=4 7507 B12R1.360 CCC(=O)COCCCC1CO1 34a_100000725409_100000733510 [0,0,0,1,0,0|3,0,0]=4 7508 B12R1.360 CCC(=O)CSCCCC1CO1 62a_100000733510_100000747405 [0,0,0,1,0,0|3,0,0]=4 7509 B12R1.360 CCC(=O)CSCCCC1CO1 62a_100000747405_100000733510 [0,0,0,1,0,0|3,0,0]=4 7510 B12R1.360 CCC(=O)NCCNCC1CC1 269862a_100132302217_100000741477 [0,0,0,1,0,0|3,0,0]=4 7511 B12R1.360 CCC(=O)NCCNCC1CC1 34a_100132302217_100000742324 [0,0,0,1,0,0|3,0,0]=4 7512 B12R1.360 CCC(=O)NCCOCC1CC1 34a_200000158885_100000742324 [0,0,0,1,0,0|3,0,0]=4 7513 B12R1.360 CCC(=O)NCCOCC1CC1 7a_200000158885_100000742324 [0,0,0,1,0,0|3,0,0]=4 7514 B12R1.360 CCC(=O)OCCOCC1CC1 7a_200000031056_100000742324 [0,0,0,1,0,0|3,0,0]=4 7515 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000735609_100000741757 [0,0,0,1,0,0|2,0,0]=3 7516 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000740002_100000742324 [0,0,0,1,0,0|2,0,0]=3 7517 B12R1.360 CNC(=O)CCCNCC1CC1 269862a_100000740002_100000741477 [0,0,0,1,0,0|2,0,0]=3 7518 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000735609_100000741757 [0,0,0,1,0,0|2,0,0]=3 7519 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000740002_100000742324 [0,0,0,1,0,0|2,0,0]=3 7520 B12R1.360 CNC(=O)CCCNCC1CO1 2230a_100000740002_100011216344 [0,0,0,1,0,0|3,0,0]=4 7521 B12R1.360 CNC(=O)CCCNCC1CO1 34a_100000740002_102125554688 [0,0,0,1,0,0|3,0,0]=4 7522 B12R1.360 CNC(=O)CCCOCC1CC1 34a_100000211283_100000741757 [0,0,0,1,0,0|2,0,0]=3 7523 B12R1.360 CNC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000741757 [0,0,0,1,0,0|3,0,0]=4 7524 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000741757_100000742324 [0,0,0,1,0,0|2,0,0]=3 7525 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000756562_100000741757 [0,0,0,1,0,0|2,0,0]=3 7526 B12R1.360 CNC(=O)CCCSCC1CO1 62a_100000741757_102125554688 [0,0,0,1,0,0|3,0,0]=4 7527 B12R1.360 CNC(=O)CCCSCC1CO1 62a_102125554688_100000741757 [0,0,0,1,0,0|3,0,0]=4 7528 B12R1.360 CNC(=O)CCCSCC1CS1 62a_100000031435_100000741757 [0,0,0,1,0,0|3,0,0]=4 7529 B12R1.360 CNC(=O)CCCSCC1CS1 62a_100000741757_100000031435 [0,0,0,1,0,0|3,0,0]=4 7530 B12R1.360 CNC(=O)CCCSC[C@@H]1CO1 62a_100000741757_100000745022 [0,0,0,1,0,0|3,0,0]=4 7531 B12R1.360 CNC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100000741757 [0,0,0,1,0,0|3,0,0]=4 7532 B12R1.360 CNC(=O)CCNCCC1CC1 2230a_100000738227_100000694398 [0,0,0,1,0,0|2,0,0]=3 7533 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000738227_100000694398 [0,0,0,1,0,0|2,0,0]=3 7534 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000764129_100012179268 [0,0,0,1,0,0|2,0,0]=3 7535 B12R1.360 CNC(=O)CCNCCC1CO1 2230a_100000738227_100000732470 [0,0,0,1,0,0|3,0,0]=4 7536 B12R1.360 CNC(=O)CCNCCC1CO1 34a_100000738227_100000732470 [0,0,0,1,0,0|3,0,0]=4 7537 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754188_100012179268 [0,0,0,1,0,0|2,0,0]=3 7538 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754576_100000694398 [0,0,0,1,0,0|2,0,0]=3 7539 B12R1.360 CNC(=O)CCOCCC1CC1 7a_100000754188_100000737683 [0,0,0,1,0,0|2,0,0]=3 7540 B12R1.360 CNC(=O)CCOCCC1CO1 34a_100000754576_100000732470 [0,0,0,1,0,0|3,0,0]=4 7541 B12R1.360 CNC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100012179268 [0,0,0,1,0,0|3,0,0]=4 7542 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000737683_100000764125 [0,0,0,1,0,0|2,0,0]=3 7543 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000764125_100000737683 [0,0,0,1,0,0|2,0,0]=3 7544 B12R1.360 CNC(=O)CCSCCC1CO1 62a_100000732470_100000737683 [0,0,0,1,0,0|3,0,0]=4 7545 B12R1.360 CNC(=O)CCSCCC1CO1 62a_100000737683_100000732470 [0,0,0,1,0,0|3,0,0]=4 7546 B12R1.360 CNC(=O)CNCCCC1CO1 2230a_100000693194_100000733510 [0,0,0,1,0,0|3,0,0]=4 7547 B12R1.360 CNC(=O)COCCCC1CO1 34a_100000750040_100000733510 [0,0,0,1,0,0|3,0,0]=4 7548 B12R1.360 CNC(=O)COCCNC1CC1 34a_100000738766_100000183359 [0,0,0,1,0,0|3,0,0]=4 7549 B12R1.360 CNC(=O)CSCCCC1CO1 62a_100000183359_100000733510 [0,0,0,1,0,0|3,0,0]=4 7550 B12R1.360 CNC(=O)CSCCCC1CO1 62a_100000733510_100000183359 [0,0,0,1,0,0|3,0,0]=4 7551 B12R1.360 CNC(=O)NCCNCC1CC1 269862a_100015205895_100000741477 [0,0,0,1,0,0|3,0,0]=4 7552 B12R1.360 CNC(=O)NCCNCC1CC1 34a_100015205895_100000742324 [0,0,0,1,0,0|3,0,0]=4 7553 B12R1.360 CNC(=O)OCCNCC1CC1 34a_100000735609_200011997002 [0,0,0,1,0,0|3,0,0]=4 7554 B12R1.360 CNC(=O)OCCOCC1CC1 34a_100000211283_200011997002 [0,0,0,1,0,0|3,0,0]=4 7555 B12R1.360 CNC(=O)OCCSCC1CC1 62a_100000756562_200011997002 [0,0,0,1,0,0|3,0,0]=4 7556 B12R1.360 CNC(=O)OCCSCC1CC1 62a_200011997002_100000742324 [0,0,0,1,0,0|3,0,0]=4 7557 B12R1.360 COC(=O)/C=C/CNCC1CC1 2230a_100000735609_100000742655 [0,0,0,1,0,0|1,0,2]=4 7558 B12R1.360 COC(=O)/C=C/CNCC1CC1 34a_100000735609_100000742655 [0,0,0,1,0,0|1,0,2]=4 7559 B12R1.360 COC(=O)/C=C/COCC1CC1 34a_100000211283_100000742655 [0,0,0,1,0,0|1,0,2]=4 7560 B12R1.360 COC(=O)/C=C/CSCC1CC1 62a_100000742655_100000742324 [0,0,0,1,0,0|1,0,2]=4 7561 B12R1.360 COC(=O)/C=C/CSCC1CC1 62a_100000756562_100000742655 [0,0,0,1,0,0|1,0,2]=4 7562 B12R1.360 COC(=O)CC=NNCC1CC1 4a_100000736359_200011552997 [0,0,0,1,0,0|2,0,1]=4 7563 B12R1.360 COC(=O)CCC=NNC1CC1 4a_100000701032_100012047195 [0,0,0,1,0,0|2,0,1]=4 7564 B12R1.360 COC(=O)CCCCNC1CC1 34a_100000212008_100000204269 [0,0,0,1,0,0|1,0,0]=2 7565 B12R1.360 COC(=O)CCCCOC1CC1 34a_100000059025_100000211595 [0,0,0,1,0,0|1,0,0]=2 7566 B12R1.360 COC(=O)CCCCSC1CC1 62a_100000204269_100000211595 [0,0,0,1,0,0|1,0,0]=2 7567 B12R1.360 COC(=O)CCCNCC1CC1 2230a_100000735609_100011218270 [0,0,0,1,0,0|1,0,0]=2 7568 B12R1.360 COC(=O)CCCNCC1CC1 34a_100000735609_100000742333 [0,0,0,1,0,0|1,0,0]=2 7569 B12R1.360 COC(=O)CCCOCC1CC1 34a_100000211283_100000742333 [0,0,0,1,0,0|1,0,0]=2 7570 B12R1.360 COC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000742333 [0,0,0,1,0,0|2,0,0]=3 7571 B12R1.360 COC(=O)CCCSCC1CC1 62a_100000756562_100011218270 [0,0,0,1,0,0|1,0,0]=2 7572 B12R1.360 COC(=O)CCCSCC1CC1 62a_100011218270_100000742324 [0,0,0,1,0,0|1,0,0]=2 7573 B12R1.360 COC(=O)CCCSCC1CO1 62a_100011218270_102125554688 [0,0,0,1,0,0|2,0,0]=3 7574 B12R1.360 COC(=O)CCCSCC1CO1 62a_102125554688_100011218270 [0,0,0,1,0,0|2,0,0]=3 7575 B12R1.360 COC(=O)CCCSCC1CS1 62a_100000031435_100011218270 [0,0,0,1,0,0|2,0,0]=3 7576 B12R1.360 COC(=O)CCCSCC1CS1 62a_100011218270_100000031435 [0,0,0,1,0,0|2,0,0]=3 7577 B12R1.360 COC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011218270 [0,0,0,1,0,0|2,0,0]=3 7578 B12R1.360 COC(=O)CCCSC[C@@H]1CO1 62a_100011218270_100000745022 [0,0,0,1,0,0|2,0,0]=3 7579 B12R1.360 COC(=O)CCNCCC1CC1 34a_100000764129_100000742370 [0,0,0,1,0,0|1,0,0]=2 7580 B12R1.360 COC(=O)CCOCCC1CC1 34a_100000754188_100000742370 [0,0,0,1,0,0|1,0,0]=2 7581 B12R1.360 COC(=O)CCOCCC1CC1 7a_100000754188_100000204255 [0,0,0,1,0,0|1,0,0]=2 7582 B12R1.360 COC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000742370 [0,0,0,1,0,0|2,0,0]=3 7583 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000204255_100000764125 [0,0,0,1,0,0|1,0,0]=2 7584 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000764125_100000204255 [0,0,0,1,0,0|1,0,0]=2 7585 B12R1.360 COC(=O)CCSCCC1CO1 62a_100000204255_100000732470 [0,0,0,1,0,0|2,0,0]=3 7586 B12R1.360 COC(=O)CCSCCC1CO1 62a_100000732470_100000204255 [0,0,0,1,0,0|2,0,0]=3 7587 B12R1.360 COC(=O)COCC#CC1CC1 34a_100000083941_100000747449 [0,0,0,1,0,0|1,0,2]=4 7588 B12R1.360 COC(=O)COCC#CC1CC1 7a_100000083941_100000747449 [0,0,0,1,0,0|1,0,2]=4 7589 B12R1.360 COC(=O)COCCNC1CC1 34a_100000212008_100000090808 [0,0,0,1,0,0|2,0,0]=3 7590 B12R1.360 COC(=O)COCCNC1CC1 34a_100000738766_100000747449 [0,0,0,1,0,0|2,0,0]=3 7591 B12R1.360 COC(=O)COCCSC1CC1 62a_100000090808_100000211595 [0,0,0,1,0,0|2,0,0]=3 7592 B12R1.360 COC(=O)CSCC#CC1CC1 62a_100000747449_100009895102 [0,0,0,1,0,0|1,0,2]=4 7593 B12R1.360 COC(=O)CSCC#CC1CC1 62a_100009895102_100000747449 [0,0,0,1,0,0|1,0,2]=4 7594 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000733510_100000747449 [0,0,0,1,0,0|2,0,0]=3 7595 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000747449_100000733510 [0,0,0,1,0,0|2,0,0]=3 7596 B12R1.360 COC(=O)NCCOCC1CC1 34a_100000757965_100000742324 [0,0,0,1,0,0|2,0,0]=3 7597 B12R1.360 COC(=O)NCCOCC1CO1 34a_100000757965_102125554688 [0,0,0,1,0,0|3,0,0]=4 7598 B12R1.360 COC(=O)OCCOCC1CC1 34a_100010262106_100000742324 [0,0,0,1,0,0|2,0,0]=3 7599 B12R1.360 COC(=O)OCCOCC1CO1 34a_100010262106_102125554688 [0,0,0,1,0,0|3,0,0]=4 7600 B12R1.360 COC(=O)OCSCCC1CC1 62a_100000764125_100000139417 [0,0,0,1,0,0|2,0,0]=3 7601 B12R1.360 COC(=O)OCSCCC1CO1 62a_100000732470_100000139417 [0,0,0,1,0,0|3,0,0]=4 7602 B12R1.360 COC(C)CCOCCC1CC1 7a_100000764861_100000764125 [0,0,0,1,0,0|2,0,1]=4 7603 B12R1.360 NNC(=O)CCCOCC1CC1 34a_100000211488_100000742324 [0,0,0,1,0,0|3,0,0]=4 7604 B12R1.364 CNC(=O)CCCN1CCC1C 269982a_100000755817_100000741757 [0,0,0,1,0,0|2,0,0]=3 7605 B12R1.364 CNC(=O)CCCN1CCC1C 34a_100000755817_100000741757 [0,0,0,1,0,0|2,0,0]=3 7606 B12R1.364 CNC(=O)OCCN1CCC1C 269982a_100000755817_200011997002 [0,0,0,1,0,0|3,0,0]=4 7607 B12R1.364 CNC(=O)OCCN1CCC1C 34a_100000755817_200011997002 [0,0,0,1,0,0|3,0,0]=4 7608 B12R1.364 COC(=O)/C=C/CN1CCC1C 269982a_100000755817_100000742655 [0,0,0,1,0,0|1,0,2]=4 7609 B12R1.364 COC(=O)/C=C/CN1CCC1C 34a_100000755817_100000742655 [0,0,0,1,0,0|1,0,2]=4 7610 B12R1.364 COC(=O)CCCN1CCC1C 269982a_100000755817_100011218270 [0,0,0,1,0,0|1,0,0]=2 7611 B12R1.364 COC(=O)CCCN1CCC1C 34a_100000755817_100000742333 [0,0,0,1,0,0|1,0,0]=2 7612 B12R1.364 COC(=O)CCSC1CCC1=O 62a_100000204255_100009892977 [0,0,0,1,0,0|2,0,1]=4 7613 B12R1.364 COC(=O)CCSC1CCC1=O 62a_100009892977_100000204255 [0,0,0,1,0,0|2,0,1]=4 7614 B12R1.365 CCC(=O)C1CCCCCC1=O 1458a_100000210414_100000243696 [0,0,0,1,0,0|2,0,1]=4 7615 B12R1.365 CCC(=O)C1CCCCCN1C 1458a_100015187800_100000210202 [0,0,0,1,0,0|2,0,0]=3 7616 B12R1.365 CN1CCCCCC1C(=O)CF 1458a_100015187800_100015361967 [0,0,0,1,0,0|3,0,0]=4 7617 B12R1.365 CNC(=O)C1CCCCCN1C 240690a_100102657272_100015187800 [0,0,0,1,0,0|2,0,0]=3 7618 B12R1.365 CNC(=O)C1CCCCCN1C 527a_100102657272_100015187800 [0,0,0,1,0,0|2,0,0]=3 7619 B12R1.371 C#CC(=O)CC1CCCCN1C 1458a_100000211873_100015185383 [0,0,0,1,0,0|2,0,1]=4 7620 B12R1.371 C=CC(=O)CC1CCCCN1C 1458a_100000185746_100015185383 [0,0,0,1,0,0|2,0,1]=4 7621 B12R1.371 C=CC(=O)NC1CCCCC1C 1626a_100000211402_100000185746 [0,0,0,1,0,0|2,0,1]=4 7622 B12R1.371 C=CC(=O)NC1CCCCC1C 240690a_100000211402_200121576911 [0,0,0,1,0,0|2,0,1]=4 7623 B12R1.371 CC1CCCCC1NC(=O)CO 240690a_100000211402_100000210174 [0,0,0,1,0,0|3,0,0]=4 7624 B12R1.371 CC1CCCCC1NC(=O)CO 527a_100000211402_100000210174 [0,0,0,1,0,0|3,0,0]=4 7625 B12R1.371 CCC(=O)CC1CCCCN1C 1458a_100000210414_100015185383 [0,0,0,1,0,0|2,0,0]=3 7626 B12R1.371 CCC(=O)CN1CCCCC1C 269982a_100000211376_100000747405 [0,0,0,1,0,0|2,0,0]=3 7627 B12R1.371 CCC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747405 [0,0,0,1,0,0|3,0,0]=4 7628 B12R1.371 CCC(=O)NC1CCCCC1C 11a_100000211402_100000210414 [0,0,0,1,0,0|2,0,0]=3 7629 B12R1.371 CCC(=O)NC1CCCCC1C 1626a_100000211402_100000210414 [0,0,0,1,0,0|2,0,0]=3 7630 B12R1.371 CCC(=O)NC1CCCCC1C 240690a_100000211402_100000210414 [0,0,0,1,0,0|2,0,0]=3 7631 B12R1.371 CCC(=O)NC1CCCCC1C 527a_100000211402_100000210414 [0,0,0,1,0,0|2,0,0]=3 7632 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210414 [0,0,0,1,0,0|3,0,0]=4 7633 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210414 [0,0,0,1,0,0|3,0,0]=4 7634 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000210414 [0,0,0,1,0,0|3,0,0]=4 7635 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000210414 [0,0,0,1,0,0|3,0,0]=4 7636 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000210414 [0,0,0,1,0,0|3,0,0]=4 7637 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000210414 [0,0,0,1,0,0|3,0,0]=4 7638 B12R1.371 CN1CCCCC1CC(=O)CO 1458a_100000210174_100015185383 [0,0,0,1,0,0|3,0,0]=4 7639 B12R1.371 CNC(=O)CN1CCCCC1C 2230a_100000211376_100000183359 [0,0,0,1,0,0|2,0,0]=3 7640 B12R1.371 CNC(=O)CN1CCCCC1C 269982a_100000211376_100000183359 [0,0,0,1,0,0|2,0,0]=3 7641 B12R1.371 CNC(=O)CN1CCCCC1C 34a_100000211376_100000183359 [0,0,0,1,0,0|2,0,0]=3 7642 B12R1.371 CNC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000183359 [0,0,0,1,0,0|3,0,0]=4 7643 B12R1.371 CNC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000183359 [0,0,0,1,0,0|3,0,0]=4 7644 B12R1.371 CNC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000183359 [0,0,0,1,0,0|3,0,0]=4 7645 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100000211402_106832991635 [0,0,0,1,0,0|2,0,0]=3 7646 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100102657272_100000211402 [0,0,0,1,0,0|2,0,0]=3 7647 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100000211402_100102657272 [0,0,0,1,0,0|2,0,0]=3 7648 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100102657272_100000211402 [0,0,0,1,0,0|2,0,0]=3 7649 B12R1.371 CNC(=O)NC1CCCCC1C 512a_100000211402_100102657272 [0,0,0,1,0,0|2,0,0]=3 7650 B12R1.371 CNC(=O)NC1CCCCC1C 512a_106832991638_100000211402 [0,0,0,1,0,0|2,0,0]=3 7651 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1O 2708a_100102657272_100015191688 [0,0,0,1,0,0|3,0,0]=4 7652 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1O 273464a_100102657272_100015191688 [0,0,0,1,0,0|3,0,0]=4 7653 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100015195156_106832991635 [0,0,0,1,0,0|3,0,0]=4 7654 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100102657272_100015195156 [0,0,0,1,0,0|3,0,0]=4 7655 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100015195156_100102657272 [0,0,0,1,0,0|3,0,0]=4 7656 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100102657272_100015195156 [0,0,0,1,0,0|3,0,0]=4 7657 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 512a_100015195156_100102657272 [0,0,0,1,0,0|3,0,0]=4 7658 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 512a_106832991638_100015195156 [0,0,0,1,0,0|3,0,0]=4 7659 B12R1.371 COC(=O)CC1COCCN1C 2230a_100000731486_200000210301 [0,0,0,1,0,0|2,0,0]=3 7660 B12R1.371 COC(=O)CC1COCCN1C 34a_100000731486_200000210301 [0,0,0,1,0,0|2,0,0]=3 7661 B12R1.371 COC(=O)CC1COCCN1[13CH3] 2230a_100000731486_200025704644 [0,0,0,1,0,0|2,0,0]=3 7662 B12R1.371 COC(=O)CC1COCCN1[13CH3] 34a_100000731486_200025704644 [0,0,0,1,0,0|2,0,0]=3 7663 B12R1.371 COC(=O)CN1CCCCC1C 2230a_100000211376_100000747449 [0,0,0,1,0,0|1,0,0]=2 7664 B12R1.371 COC(=O)CN1CCCCC1C 269982a_100000211376_100000747449 [0,0,0,1,0,0|1,0,0]=2 7665 B12R1.371 COC(=O)CN1CCCCC1C 34a_100000211376_100000747449 [0,0,0,1,0,0|1,0,0]=2 7666 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000747449 [0,0,0,1,0,0|2,0,0]=3 7667 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747449 [0,0,0,1,0,0|2,0,0]=3 7668 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000747449 [0,0,0,1,0,0|2,0,0]=3 7669 B12R1.382 CCCCN1CCCC(C1)OC 2230a_100000695604_100000210211 [0,0,0,1,0,0|2,0,1]=4 7670 B12R1.382 CCCCN1CCCC(C1)OC 269982a_100000695604_100000210211 [0,0,0,1,0,0|2,0,1]=4 7671 B12R1.382 CCCCN1CCCC(C1)OC 34a_100000695604_100000210210 [0,0,0,1,0,0|2,0,1]=4 7672 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,0,0,1,0,0|2,0,0]=3 7673 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,0,0,1,0,0|2,0,0]=3 7674 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,0,0,1,0,0|2,0,0]=3 7675 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,0,0,1,0,0|2,0,0]=3 7676 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,0,0,1,0,0|2,0,0]=3 7677 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,0,0,1,0,0|2,0,0]=3 7678 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,0,0,1,0,0|2,0,0]=3 7679 B12R1.383 CCCCOCSC1CCC1=O 62a_100009892977_100011995733 [0,0,0,1,0,0|3,0,0]=4 7680 B12R1.383 CCCCOCSC1CCC1=O 62a_100011995733_100009892977 [0,0,0,1,0,0|3,0,0]=4 7681 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,0,0,1,0,0|2,0,0]=3 7682 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,0,0,1,0,0|2,0,0]=3 7683 B12R1.383 CCCOCCNC1CCC1=O 34a_100161115042_100009892977 [0,0,0,1,0,0|3,0,0]=4 7684 B12R1.383 CCCOCCOC1CCC1=O 34a_100000752267_100009892977 [0,0,0,1,0,0|3,0,0]=4 7685 B12R1.383 CCCOCCOC1CCC1=O 7a_100000752267_100009892977 [0,0,0,1,0,0|3,0,0]=4 7686 B12R1.383 CCCOCCSC1CCC1=O 62a_100009892977_100011215938 [0,0,0,1,0,0|3,0,0]=4 7687 B12R1.383 CCCOCCSC1CCC1=O 62a_100011215938_100009892977 [0,0,0,1,0,0|3,0,0]=4 7688 B12R1.383 CCCSCCOC1CCC1=O 34a_200000230433_100009892977 [0,0,0,1,0,0|3,0,0]=4 7689 B12R1.383 CCCSCCOC1CCC1=O 7a_200000230433_100009892977 [0,0,0,1,0,0|3,0,0]=4 7690 B12R1.383 CCOCCCNC1CCC1=O 34a_100000210961_100009892977 [0,0,0,1,0,0|3,0,0]=4 7691 B12R1.383 CCOCCCOC1CCC1=O 34a_100000757476_100009892977 [0,0,0,1,0,0|3,0,0]=4 7692 B12R1.383 CCOCCCOC1CCC1=O 7a_100000757476_100009892977 [0,0,0,1,0,0|3,0,0]=4 7693 B12R1.383 CCOCCCSC1CCC1=O 62a_100009892977_100012232248 [0,0,0,1,0,0|3,0,0]=4 7694 B12R1.383 CCOCCCSC1CCC1=O 62a_100012232248_100009892977 [0,0,0,1,0,0|3,0,0]=4 7695 B12R1.383 CCOCSCCC1CCC1=O 62a_100000739092_200016118888 [0,0,0,1,0,0|3,0,0]=4 7696 B12R1.383 CCOCSCCC1CCC1=O 62a_200016118888_100000739092 [0,0,0,1,0,0|3,0,0]=4 7697 B12R1.383 CCSCCCOC1CCC1=O 34a_100011216438_100009892977 [0,0,0,1,0,0|3,0,0]=4 7698 B12R1.383 CCSCCCOC1CCC1=O 7a_100011216438_100009892977 [0,0,0,1,0,0|3,0,0]=4 7699 B12R1.383 COCCCCOC1CCC1=O 34a_100000740925_100009892977 [0,0,0,1,0,0|3,0,0]=4 7700 B12R1.383 COCCCCSC1CCC1=O 62a_100000730899_100009892977 [0,0,0,1,0,0|3,0,0]=4 7701 B12R1.383 COCCCCSC1CCC1=O 62a_100009892977_100000730899 [0,0,0,1,0,0|3,0,0]=4 7702 B12R1.383 COCCNCCC1CCC1=O 2230a_100000209980_200016118888 [0,0,0,1,0,0|3,0,0]=4 7703 B12R1.383 COCCSCCC1CCC1=O 62a_100000233755_200016118888 [0,0,0,1,0,0|3,0,0]=4 7704 B12R1.383 COCCSCCC1CCC1=O 62a_200016118888_100000233755 [0,0,0,1,0,0|3,0,0]=4 7705 B12R1.383 CSCCCCOC1CCC1=O 34a_100011217163_100009892977 [0,0,0,1,0,0|3,0,0]=4 7706 B12R1.383 CSCCCCOC1CCC1=O 7a_100011217163_100009892977 [0,0,0,1,0,0|3,0,0]=4 7707 B12R1.383 CSCCNCCC1CCC1=O 2230a_100020590264_200016118888 [0,0,0,1,0,0|3,0,0]=4 7708 B12R1.383 CSCCOCCC1CCC1=O 7a_100000230434_200016118888 [0,0,0,1,0,0|3,0,0]=4 7709 B12R1.383 CSCCSCCC1CCC1=O 62a_100000212216_200016118888 [0,0,0,1,0,0|3,0,0]=4 7710 B12R1.383 CSCCSCCC1CCC1=O 62a_200016118888_100000751147 [0,0,0,1,0,0|3,0,0]=4 7711 B12R1.383 NCCCCCOC1CCC1=O 34a_100000762737_100009892977 [0,0,0,1,0,0|3,0,0]=4 7712 B12R1.383 O=C1CCC1CCNCCCF 2230a_100015189416_200016118888 [0,0,0,1,0,0|3,0,0]=4 7713 B12R1.383 O=C1CCC1CCSCCCF 62a_100011934791_200016118888 [0,0,0,1,0,0|3,0,0]=4 7714 B12R1.383 O=C1CCC1CCSCCCF 62a_200016118888_100011934791 [0,0,0,1,0,0|3,0,0]=4 7715 B12R1.383 O=C1CCC1CCSCCCO 62a_100011215043_200016118888 [0,0,0,1,0,0|3,0,0]=4 7716 B12R1.383 O=C1CCC1CCSCCCO 62a_200016118888_100011215043 [0,0,0,1,0,0|3,0,0]=4 7717 B12R1.383 O=C1CCC1NCCCCCO 34a_100000762737_100009892977 [0,0,0,1,0,0|3,0,0]=4 7718 B12R1.383 O=C1CCC1OCCCCCBr 34a_100000746331_100009892977 [0,0,0,1,0,0|3,0,0]=4 7719 B12R1.383 O=C1CCC1OCCCCCBr 7a_100000746331_100009892977 [0,0,0,1,0,0|3,0,0]=4 7720 B12R1.383 O=C1CCC1OCCCCCCl 34a_100000746330_100009892977 [0,0,0,1,0,0|3,0,0]=4 7721 B12R1.383 O=C1CCC1OCCCCCCl 7a_100000746330_100009892977 [0,0,0,1,0,0|3,0,0]=4 7722 B12R1.383 O=C1CCC1OCCCCCI 34a_200012148887_100009892977 [0,0,0,1,0,0|3,0,0]=4 7723 B12R1.383 O=C1CCC1OCCCCCI 7a_200012148887_100009892977 [0,0,0,1,0,0|3,0,0]=4 7724 B12R1.383 O=C1CCC1SCCCCCF 62a_100000729378_100009892977 [0,0,0,1,0,0|3,0,0]=4 7725 B12R1.383 O=C1CCC1SCCCCCF 62a_100009892977_100000729378 [0,0,0,1,0,0|3,0,0]=4 7726 B12R1.383 O=C1CCC1SCCCCCO 62a_100000746330_100009892977 [0,0,0,1,0,0|3,0,0]=4 7727 B12R1.383 O=C1CCC1SCCCCCO 62a_100009892977_100000746330 [0,0,0,1,0,0|3,0,0]=4 7728 B12R1.455 CCCCCN1CC[C@H](C1)OC 2230a_100000766984_100000210326 [0,0,0,1,0,0|2,0,1]=4 7729 B12R1.455 CCCCCN1CC[C@H](C1)OC 269982a_100000766984_100000210215 [0,0,0,1,0,0|2,0,1]=4 7730 B12R1.477 C#CC(=O)CCCC1CCCC1 1458a_100000211873_100011713738 [0,0,0,1,0,0|1,0,1]=3 7731 B12R1.477 C#CC(=O)CCCN1CCCC1 1458a_100000211873_100011445909 [0,0,0,1,0,0|2,0,1]=4 7732 B12R1.477 C=CC(=O)CCCC1CCCC1 1458a_100000185746_100011713738 [0,0,0,1,0,0|1,0,1]=3 7733 B12R1.477 C=CC(=O)CCCN1CCCC1 1458a_100000185746_100011445909 [0,0,0,1,0,0|2,0,1]=4 7734 B12R1.477 C=CC(=O)NCCC1CCCC1 1626a_100000739158_100000185746 [0,0,0,1,0,0|2,0,1]=4 7735 B12R1.477 C=CC(=O)NCCC1CCCC1 240690a_100000739158_200121576911 [0,0,0,1,0,0|2,0,1]=4 7736 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,0,0,1,0,0|1,0,0]=2 7737 B12R1.477 CCC(=O)CCCC1OCCO1 1458a_100000210414_100000042513 [0,0,0,1,0,0|3,0,0]=4 7738 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000210414_100011445909 [0,0,0,1,0,0|2,0,0]=3 7739 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000743284_100000210202 [0,0,0,1,0,0|2,0,0]=3 7740 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,0,0,1,0,0|2,0,0]=3 7741 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,0,0,1,0,0|2,0,0]=3 7742 B12R1.477 CCC(=O)COCC1CCCO1 1458a_100011223388_100000210202 [0,0,0,1,0,0|3,0,0]=4 7743 B12R1.477 CCC(=O)COCC1CCCO1 7a_100000210270_100000747405 [0,0,0,1,0,0|3,0,0]=4 7744 B12R1.477 CCC(=O)COCC1CCOC1 34a_100000725409_100011261433 [0,0,0,1,0,0|3,0,0]=4 7745 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [0,0,0,1,0,0|2,0,0]=3 7746 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [0,0,0,1,0,0|2,0,0]=3 7747 B12R1.477 CCC(=O)CSCC1CCCO1 1458a_100000217298_100000210202 [0,0,0,1,0,0|3,0,0]=4 7748 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000203698_100000747405 [0,0,0,1,0,0|3,0,0]=4 7749 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000747405_100000203698 [0,0,0,1,0,0|3,0,0]=4 7750 B12R1.477 CCC(=O)CSCC1CCOC1 62a_100000702531_100000747405 [0,0,0,1,0,0|3,0,0]=4 7751 B12R1.477 CCC(=O)CSCC1CCOC1 62a_100000747405_100000702531 [0,0,0,1,0,0|3,0,0]=4 7752 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [0,0,0,1,0,0|2,0,0]=3 7753 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [0,0,0,1,0,0|2,0,0]=3 7754 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [0,0,0,1,0,0|2,0,0]=3 7755 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [0,0,0,1,0,0|2,0,0]=3 7756 B12R1.477 CCC(=O)NCCN1CCCC1 240690a_100000212299_100000210414 [0,0,0,1,0,0|3,0,0]=4 7757 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100000225621_100011713738 [0,0,0,1,0,0|3,0,0]=4 7758 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100015186261_100000210202 [0,0,0,1,0,0|3,0,0]=4 7759 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100000225621_100011713738 [0,0,0,1,0,0|3,0,0]=4 7760 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100015186261_100000204670 [0,0,0,1,0,0|3,0,0]=4 7761 B12R1.477 CCN(C)CCCC1CCCC1 34a_100015186261_100000210202 [0,0,0,1,0,0|3,0,0]=4 7762 B12R1.477 CNC(=O)CCCN1CCCC1 2230a_100000188435_100000741757 [0,0,0,1,0,0|2,0,0]=3 7763 B12R1.477 CNC(=O)CCCN1CCCC1 240690a_100102657272_100000743284 [0,0,0,1,0,0|2,0,0]=3 7764 B12R1.477 CNC(=O)CCCN1CCCC1 269982a_100000188435_100000741757 [0,0,0,1,0,0|2,0,0]=3 7765 B12R1.477 CNC(=O)CCCN1CCSC1 2230a_100011215254_100000741757 [0,0,0,1,0,0|3,0,0]=4 7766 B12R1.477 CNC(=O)CCCN1CCSC1 269982a_100011215254_100000741757 [0,0,0,1,0,0|3,0,0]=4 7767 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000211070_100000737683 [0,0,0,1,0,0|2,0,0]=3 7768 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000738227_100000179811 [0,0,0,1,0,0|2,0,0]=3 7769 B12R1.477 CNC(=O)CCNC1CCCC1 270004a_100000738227_100000210133 [0,0,0,1,0,0|2,0,0]=3 7770 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000211070_100012179268 [0,0,0,1,0,0|2,0,0]=3 7771 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000738227_100000179811 [0,0,0,1,0,0|2,0,0]=3 7772 B12R1.477 CNC(=O)CCNC1CCOC1 2230a_100000738227_100000731011 [0,0,0,1,0,0|3,0,0]=4 7773 B12R1.477 CNC(=O)CCNC1CCOC1 270004a_100000738227_100000752484 [0,0,0,1,0,0|3,0,0]=4 7774 B12R1.477 CNC(=O)CCNC1CCOC1 34a_100000738227_100000690089 [0,0,0,1,0,0|3,0,0]=4 7775 B12R1.477 CNC(=O)CCNC1CCSC1 270004a_100000738227_100000212027 [0,0,0,1,0,0|3,0,0]=4 7776 B12R1.477 CNC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000737683 [0,0,0,1,0,0|3,0,0]=4 7777 B12R1.477 CNC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000737683 [0,0,0,1,0,0|3,0,0]=4 7778 B12R1.477 CNC(=O)CCN[C@H]1CCOC1 34a_100015188467_100012179268 [0,0,0,1,0,0|3,0,0]=4 7779 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000210269_100012179268 [0,0,0,1,0,0|2,0,0]=3 7780 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000754576_100000179811 [0,0,0,1,0,0|2,0,0]=3 7781 B12R1.477 CNC(=O)CCOC1CCCC1 7a_100000210269_100000737683 [0,0,0,1,0,0|2,0,0]=3 7782 B12R1.477 CNC(=O)CCOC1CCCO1 34a_100000085407_100012179268 [0,0,0,1,0,0|3,0,0]=4 7783 B12R1.477 CNC(=O)CCOC1CCOC1 34a_100000754576_100000690089 [0,0,0,1,0,0|3,0,0]=4 7784 B12R1.477 CNC(=O)CCOC1CCSC1 7a_100011232664_100000737683 [0,0,0,1,0,0|3,0,0]=4 7785 B12R1.477 CNC(=O)CCO[C@H]1CCOC1 34a_100000717292_100012179268 [0,0,0,1,0,0|3,0,0]=4 7786 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100000737683_100000179811 [0,0,0,1,0,0|2,0,0]=3 7787 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100011217020_100000737683 [0,0,0,1,0,0|2,0,0]=3 7788 B12R1.477 CNC(=O)CCSC1CCOC1 62a_100000737683_100000690089 [0,0,0,1,0,0|3,0,0]=4 7789 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000693194_100000740388 [0,0,0,1,0,0|2,0,0]=3 7790 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000737975_100000183359 [0,0,0,1,0,0|2,0,0]=3 7791 B12R1.477 CNC(=O)CNCC1CCCC1 269862a_100000693194_100000746403 [0,0,0,1,0,0|2,0,0]=3 7792 B12R1.477 CNC(=O)CNCC1CCCC1 34a_100000737975_100000183359 [0,0,0,1,0,0|2,0,0]=3 7793 B12R1.477 CNC(=O)CNCC1CCCO1 2230a_100000693194_100000203698 [0,0,0,1,0,0|3,0,0]=4 7794 B12R1.477 CNC(=O)CNCC1CCOC1 2230a_100000693194_100000702531 [0,0,0,1,0,0|3,0,0]=4 7795 B12R1.477 CNC(=O)CNCC1CCOC1 2230a_100000737293_100000183359 [0,0,0,1,0,0|3,0,0]=4 7796 B12R1.477 CNC(=O)CNCC1CCOC1 34a_100000737293_100000183359 [0,0,0,1,0,0|3,0,0]=4 7797 B12R1.477 CNC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000183359 [0,0,0,1,0,0|3,0,0]=4 7798 B12R1.477 CNC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000183359 [0,0,0,1,0,0|3,0,0]=4 7799 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000742336_100000183359 [0,0,0,1,0,0|2,0,0]=3 7800 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000750040_100000740388 [0,0,0,1,0,0|2,0,0]=3 7801 B12R1.477 CNC(=O)COCC1CCCC1 7a_100000742336_100000183359 [0,0,0,1,0,0|2,0,0]=3 7802 B12R1.477 CNC(=O)COCC1CCCO1 11a_106832991635_100011223388 [0,0,0,1,0,0|3,0,0]=4 7803 B12R1.477 CNC(=O)COCC1CCCO1 1626a_100102657272_100011223388 [0,0,0,1,0,0|3,0,0]=4 7804 B12R1.477 CNC(=O)COCC1CCCO1 240690a_100102657272_100011223388 [0,0,0,1,0,0|3,0,0]=4 7805 B12R1.477 CNC(=O)COCC1CCCO1 34a_100000210270_100000183359 [0,0,0,1,0,0|3,0,0]=4 7806 B12R1.477 CNC(=O)COCC1CCCO1 527a_100102657272_100011223388 [0,0,0,1,0,0|3,0,0]=4 7807 B12R1.477 CNC(=O)COCC1CCCO1 7a_100000210270_100000183359 [0,0,0,1,0,0|3,0,0]=4 7808 B12R1.477 CNC(=O)COCC1CCNC1 34a_100000748654_100000183359 [0,0,0,1,0,0|3,0,0]=4 7809 B12R1.477 CNC(=O)COCC1CCOC1 34a_100000740260_100000183359 [0,0,0,1,0,0|3,0,0]=4 7810 B12R1.477 CNC(=O)COCC1CCOC1 34a_100000750040_100011261433 [0,0,0,1,0,0|3,0,0]=4 7811 B12R1.477 CNC(=O)COC[C@H]1CCCN1 34a_100000745186_100000183359 [0,0,0,1,0,0|3,0,0]=4 7812 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000183359_100000740388 [0,0,0,1,0,0|2,0,0]=3 7813 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000740388_100000183359 [0,0,0,1,0,0|2,0,0]=3 7814 B12R1.477 CNC(=O)CSCC1CCCO1 11a_106832991635_100000217298 [0,0,0,1,0,0|3,0,0]=4 7815 B12R1.477 CNC(=O)CSCC1CCCO1 1626a_100102657272_100000217298 [0,0,0,1,0,0|3,0,0]=4 7816 B12R1.477 CNC(=O)CSCC1CCCO1 240690a_100102657272_100000217298 [0,0,0,1,0,0|3,0,0]=4 7817 B12R1.477 CNC(=O)CSCC1CCCO1 527a_100102657272_100000217298 [0,0,0,1,0,0|3,0,0]=4 7818 B12R1.477 CNC(=O)CSCC1CCCO1 62a_100000183359_100000203698 [0,0,0,1,0,0|3,0,0]=4 7819 B12R1.477 CNC(=O)CSCC1CCCO1 62a_100000203698_100000183359 [0,0,0,1,0,0|3,0,0]=4 7820 B12R1.477 CNC(=O)CSCC1CCOC1 62a_100000183359_100000702531 [0,0,0,1,0,0|3,0,0]=4 7821 B12R1.477 CNC(=O)CSCC1CCOC1 62a_100000702531_100000183359 [0,0,0,1,0,0|3,0,0]=4 7822 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100000739158_106832991635 [0,0,0,1,0,0|2,0,0]=3 7823 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100102657272_100000739158 [0,0,0,1,0,0|2,0,0]=3 7824 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100000739158_100102657272 [0,0,0,1,0,0|2,0,0]=3 7825 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100102657272_100000739158 [0,0,0,1,0,0|2,0,0]=3 7826 B12R1.477 CNC(=O)NCCC1CCCC1 512a_100000739158_100102657272 [0,0,0,1,0,0|2,0,0]=3 7827 B12R1.477 CNC(=O)NCCC1CCCC1 512a_106832991638_100000739158 [0,0,0,1,0,0|2,0,0]=3 7828 B12R1.477 CNC(=O)NCCN1CCCC1 2708a_100102657272_100000212299 [0,0,0,1,0,0|3,0,0]=4 7829 B12R1.477 CNC(=O)NCCN1CCCC1 273464a_100000212299_100102657272 [0,0,0,1,0,0|3,0,0]=4 7830 B12R1.477 CNC(=O)NCCN1CCCC1 273464a_100102657272_100000212299 [0,0,0,1,0,0|3,0,0]=4 7831 B12R1.477 CNC(=O)OCCN1CCCC1 269982a_100000188435_200011997002 [0,0,0,1,0,0|3,0,0]=4 7832 B12R1.477 COC(=O)/C=C/CN1CCCC1 2230a_100000188435_100000742655 [0,0,0,1,0,0|1,0,2]=4 7833 B12R1.477 COC(=O)/C=C/CN1CCCC1 269982a_100000188435_100000742655 [0,0,0,1,0,0|1,0,2]=4 7834 B12R1.477 COC(=O)C=NNC1CCCC1 4a_100000737850_200011823558 [0,0,0,1,0,0|2,0,1]=4 7835 B12R1.477 COC(=O)CCCN1CC=CC1 269982a_100015195280_100011218270 [0,0,0,1,0,0|1,0,2]=4 7836 B12R1.477 COC(=O)CCCN1CCCC1 2230a_100000188435_100011218270 [0,0,0,1,0,0|1,0,0]=2 7837 B12R1.477 COC(=O)CCCN1CCCC1 269982a_100000188435_100011218270 [0,0,0,1,0,0|1,0,0]=2 7838 B12R1.477 COC(=O)CCCN1CCSC1 2230a_100011215254_100011218270 [0,0,0,1,0,0|2,0,0]=3 7839 B12R1.477 COC(=O)CCCN1CCSC1 269982a_100011215254_100011218270 [0,0,0,1,0,0|2,0,0]=3 7840 B12R1.477 COC(=O)CCNC1CC=CC1 2230a_100015188752_100000204255 [0,0,0,1,0,0|1,0,2]=4 7841 B12R1.477 COC(=O)CCNC1CCCC1 2230a_100000211070_100000204255 [0,0,0,1,0,0|1,0,0]=2 7842 B12R1.477 COC(=O)CCNC1CCCC1 34a_100000211070_100000742370 [0,0,0,1,0,0|1,0,0]=2 7843 B12R1.477 COC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000204255 [0,0,0,1,0,0|2,0,0]=3 7844 B12R1.477 COC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000204255 [0,0,0,1,0,0|2,0,0]=3 7845 B12R1.477 COC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000742370 [0,0,0,1,0,0|2,0,0]=3 7846 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [0,0,0,1,0,0|1,0,0]=2 7847 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [0,0,0,1,0,0|1,0,0]=2 7848 B12R1.477 COC(=O)CCOC1CCCO1 34a_100000085407_100000742370 [0,0,0,1,0,0|2,0,0]=3 7849 B12R1.477 COC(=O)CCOC1CCSC1 7a_100011232664_100000204255 [0,0,0,1,0,0|2,0,0]=3 7850 B12R1.477 COC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000742370 [0,0,0,1,0,0|2,0,0]=3 7851 B12R1.477 COC(=O)CCSC1CCCC1 62a_100000204255_100000179811 [0,0,0,1,0,0|1,0,0]=2 7852 B12R1.477 COC(=O)CCSC1CCCC1 62a_100011217020_100000204255 [0,0,0,1,0,0|1,0,0]=2 7853 B12R1.477 COC(=O)CCSC1CCOC1 62a_100000204255_100000690089 [0,0,0,1,0,0|2,0,0]=3 7854 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [0,0,0,1,0,0|1,0,0]=2 7855 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [0,0,0,1,0,0|1,0,0]=2 7856 B12R1.477 COC(=O)CNCC1CCOC1 2230a_100000737293_100000747449 [0,0,0,1,0,0|2,0,0]=3 7857 B12R1.477 COC(=O)CNCC1CCOC1 34a_100000737293_100000747449 [0,0,0,1,0,0|2,0,0]=3 7858 B12R1.477 COC(=O)CNCC1OCCO1 2230a_100000036311_100000747449 [0,0,0,1,0,0|3,0,0]=4 7859 B12R1.477 COC(=O)CNCC1OCCO1 34a_100000036311_100000747449 [0,0,0,1,0,0|3,0,0]=4 7860 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747449 [0,0,0,1,0,0|2,0,0]=3 7861 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000747449 [0,0,0,1,0,0|2,0,0]=3 7862 B12R1.477 COC(=O)COCC1CC=CC1 34a_100000688395_100000747449 [0,0,0,1,0,0|1,0,2]=4 7863 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [0,0,0,1,0,0|1,0,0]=2 7864 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [0,0,0,1,0,0|1,0,0]=2 7865 B12R1.477 COC(=O)COCC1CCCO1 34a_100000210270_100000747449 [0,0,0,1,0,0|2,0,0]=3 7866 B12R1.477 COC(=O)COCC1CCCO1 7a_100000210270_100000747449 [0,0,0,1,0,0|2,0,0]=3 7867 B12R1.477 COC(=O)COCC1CCNC1 34a_100000748654_100000747449 [0,0,0,1,0,0|2,0,0]=3 7868 B12R1.477 COC(=O)COCC1CCOC1 34a_100000740260_100000747449 [0,0,0,1,0,0|2,0,0]=3 7869 B12R1.477 COC(=O)COCC1COCO1 34a_100011216627_100000747449 [0,0,0,1,0,0|3,0,0]=4 7870 B12R1.477 COC(=O)COCC1OCCO1 34a_100000087154_100000747449 [0,0,0,1,0,0|3,0,0]=4 7871 B12R1.477 COC(=O)COC[C@H]1CCCN1 34a_100000745186_100000747449 [0,0,0,1,0,0|2,0,0]=3 7872 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [0,0,0,1,0,0|1,0,0]=2 7873 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [0,0,0,1,0,0|1,0,0]=2 7874 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000203698_100000747449 [0,0,0,1,0,0|2,0,0]=3 7875 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000747449_100000203698 [0,0,0,1,0,0|2,0,0]=3 7876 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000702531_100000747449 [0,0,0,1,0,0|2,0,0]=3 7877 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000747449_100000702531 [0,0,0,1,0,0|2,0,0]=3 7878 B12R1.477 COC(=O)CSCC1OCCO1 62a_100000747449_100000755774 [0,0,0,1,0,0|3,0,0]=4 7879 B12R1.477 COC(=O)CSCC1OCCO1 62a_100000755774_100000747449 [0,0,0,1,0,0|3,0,0]=4 7880 B12R1.477 COC(=O)OCSC1CCCC1 62a_100011217020_100000139417 [0,0,0,1,0,0|2,0,0]=3 7881 B12R1.477 COC(C)CCOC1CCCC1 7a_100000764861_100000179811 [0,0,0,1,0,0|2,0,1]=4 7882 B12R1.477 COC(C)COCC1CCCC1 34a_100000690652_100000740388 [0,0,0,1,0,0|2,0,1]=4 7883 B12R1.477 COC(C)SCCC1CCCC1 62a_100000760354_100009879195 [0,0,0,1,0,0|2,0,1]=4 7884 B12R1.477 COC(C)SCCC1CCCC1 62a_100009879195_100000760354 [0,0,0,1,0,0|2,0,1]=4 7885 B12R1.477 CO[C@H](C)CNCC1CCCC1 2230a_100020591295_100000740388 [0,0,0,1,0,0|2,0,1]=4 7886 B12R1.477 CO[C@H](C)CNCC1CCCC1 269862a_100020591295_100000746403 [0,0,0,1,0,0|2,0,1]=4 7887 B12R1.477 O=C(CF)CCCN1CCCC1 1458a_100000743284_100015361967 [0,0,0,1,0,0|3,0,0]=4 7888 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [0,0,0,1,0,0|2,0,0]=3 7889 B12R1.477 O=C(CO)CCCN1CCCC1 1458a_100000210174_100011445909 [0,0,0,1,0,0|3,0,0]=4 7890 B12R1.477 O=C(CO)NCCC1CCCC1 240690a_100000739158_100000210174 [0,0,0,1,0,0|3,0,0]=4 7891 B12R1.477 O=C(CO)NCCC1CCCC1 527a_100000739158_100000210174 [0,0,0,1,0,0|3,0,0]=4 7892 B12R1.821 CCCCCCOCC1(CO1)C 34a_100000210259_100000760498 [0,0,0,1,0,0|2,0,1]=4 7893 B12R1.821 CCCCCCSCC1(CO1)C 62a_100000210314_100000760498 [0,0,0,1,0,0|2,0,1]=4 7894 B12R1.821 CCCCCCSCC1(CO1)C 62a_100000760498_100000210757 [0,0,0,1,0,0|2,0,1]=4 7895 B12R1.1412 C#CCCCN1CC1C(=O)OC 2230a_200009830135_100000731252 [0,0,0,1,0,0|1,0,2]=4 7896 B12R1.1412 C=CCCCN1CC1C(=O)OC 2230a_200009830135_100011713584 [0,0,0,1,0,0|1,0,2]=4 7897 B12R1.1412 CC/C=C\CN1CC1C(=O)OC 2230a_200009830135_100103147603 [0,0,0,1,0,0|1,0,2]=4 7898 B12R1.1412 CCC#CCN1CC1C(=O)OC 2230a_200009830135_100009813939 [0,0,0,1,0,0|1,0,2]=4 7899 B12R1.1412 CCCCCN1CC1C(=O)OC 2230a_200009830135_100000210326 [0,0,0,1,0,0|1,0,0]=2 7900 B12R1.1412 CCOCCN1CC1C(=O)OC 2230a_200009830135_100011215890 [0,0,0,1,0,0|2,0,0]=3 7901 B12R1.1412 CCSCCN1CC1C(=O)OC 2230a_200009830135_100000757381 [0,0,0,1,0,0|2,0,0]=3 7902 B12R1.1412 COC(=O)C1CN1CCCC#N 2230a_200009830135_100000687738 [0,0,0,1,0,0|2,0,1]=4 7903 B12R1.1412 COC(=O)C1CN1CCCC=O 2230a_200009830135_200011292268 [0,0,0,1,0,0|2,0,1]=4 7904 B12R1.1412 COC(=O)C1CN1CCCCF 2230a_200009830135_100000729493 [0,0,0,1,0,0|2,0,0]=3 7905 B12R1.1412 COC(=O)C1CN1CCCCO 2230a_200009830135_100000210776 [0,0,0,1,0,0|2,0,0]=3 7906 B12R1.1412 COCCCN1CC1C(=O)OC 2230a_200009830135_100000740836 [0,0,0,1,0,0|2,0,0]=3 7907 B12R1.1659 C=CC(=O)N1CCCCCCC1 1626a_100000211400_100000185746 [0,0,0,1,0,0|2,0,1]=4 7908 B12R1.1659 C=CC(=O)N1CCCCCCC1 240690a_100000211400_200121576911 [0,0,0,1,0,0|2,0,1]=4 7909 B12R1.1659 CCC(=O)C1CC/C=C\CCC1 1458a_100000210414_100021000466 [0,0,0,1,0,0|1,0,2]=4 7910 B12R1.1659 CCC(=O)N1CCCCCCC1 11a_100000211400_100000210414 [0,0,0,1,0,0|2,0,0]=3 7911 B12R1.1659 CCC(=O)N1CCCCCCC1 1626a_100000211400_100000210414 [0,0,0,1,0,0|2,0,0]=3 7912 B12R1.1659 CCC(=O)N1CCCCCCC1 240690a_100000211400_100000210414 [0,0,0,1,0,0|2,0,0]=3 7913 B12R1.1659 CCC(=O)N1CCCCCCC1 527a_100000211400_100000210414 [0,0,0,1,0,0|2,0,0]=3 7914 B12R1.1659 CNC(=O)N1CCCCCCC1 2708a_100102657272_100000211400 [0,0,0,1,0,0|2,0,0]=3 7915 B12R1.1659 CNC(=O)N1CCCCCCC1 273464a_100102657272_100000211400 [0,0,0,1,0,0|2,0,0]=3 7916 B12R1.1659 COC(C)N1CCCCCCC1 269982a_100000211400_100009879195 [0,0,0,1,0,0|2,0,1]=4 7917 B12R1.1659 O=C(CO)N1CCCCCCC1 240690a_100000211400_100000210174 [0,0,0,1,0,0|3,0,0]=4 7918 B12R1.1659 O=C(CO)N1CCCCCCC1 527a_100000211400_100000210174 [0,0,0,1,0,0|3,0,0]=4 7919 B12R1.1748 C#CC(=O)CC1CCCCCC1 1458a_100000211873_200000696569 [0,0,0,1,0,0|1,0,1]=3 7920 B12R1.1748 C=CC(=O)CC1CCCCCC1 1458a_100000185746_200000696569 [0,0,0,1,0,0|1,0,1]=3 7921 B12R1.1748 C=CC(=O)NC1CCCCCC1 1626a_100000210984_100000185746 [0,0,0,1,0,0|2,0,1]=4 7922 B12R1.1748 C=CC(=O)NC1CCCCCC1 240690a_100000210984_200121576911 [0,0,0,1,0,0|2,0,1]=4 7923 B12R1.1748 CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210202 [0,0,0,1,0,0|1,0,2]=4 7924 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,0,0,1,0,0|1,0,0]=2 7925 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,0,0,1,0,0|1,0,0]=2 7926 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [0,0,0,1,0,0|2,0,0]=3 7927 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [0,0,0,1,0,0|2,0,0]=3 7928 B12R1.1748 CCC(=O)CN1CCCOCC1 269982a_100000685342_100000747405 [0,0,0,1,0,0|3,0,0]=4 7929 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [0,0,0,1,0,0|2,0,0]=3 7930 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [0,0,0,1,0,0|2,0,0]=3 7931 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [0,0,0,1,0,0|2,0,0]=3 7932 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [0,0,0,1,0,0|2,0,0]=3 7933 B12R1.1748 CCN(C)CC1CCCCCC1 2230a_100000225621_200000696569 [0,0,0,1,0,0|3,0,0]=4 7934 B12R1.1748 CCN(C)CC1CCCCCC1 269982a_100000225621_200000696569 [0,0,0,1,0,0|3,0,0]=4 7935 B12R1.1748 CNC(=O)C=C1CCCCCC1 11a_106832991635_100011240665 [0,0,0,1,0,0|1,0,2]=4 7936 B12R1.1748 CNC(=O)C=C1CCCCCC1 1626a_100102657272_100011240665 [0,0,0,1,0,0|1,0,2]=4 7937 B12R1.1748 CNC(=O)C=C1CCCCCC1 240690a_100102657272_100011240665 [0,0,0,1,0,0|1,0,2]=4 7938 B12R1.1748 CNC(=O)CC1CCCCCC1 11a_106832991635_100000685095 [0,0,0,1,0,0|1,0,0]=2 7939 B12R1.1748 CNC(=O)CC1CCCCCC1 1626a_100102657272_100000685095 [0,0,0,1,0,0|1,0,0]=2 7940 B12R1.1748 CNC(=O)CC1CCCCCC1 240690a_100102657272_100000685095 [0,0,0,1,0,0|1,0,0]=2 7941 B12R1.1748 CNC(=O)CC1CCCCCC1 527a_100102657272_100000685095 [0,0,0,1,0,0|1,0,0]=2 7942 B12R1.1748 CNC(=O)CN1CCCCCC1 11a_106832991635_100000740298 [0,0,0,1,0,0|2,0,0]=3 7943 B12R1.1748 CNC(=O)CN1CCCCCC1 2230a_100000185865_100000183359 [0,0,0,1,0,0|2,0,0]=3 7944 B12R1.1748 CNC(=O)CN1CCCCCC1 240690a_100102657272_100000740298 [0,0,0,1,0,0|2,0,0]=3 7945 B12R1.1748 CNC(=O)CN1CCCCCC1 269982a_100000185865_100000183359 [0,0,0,1,0,0|2,0,0]=3 7946 B12R1.1748 CNC(=O)CN1CCCCCC1 34a_100000185865_100000183359 [0,0,0,1,0,0|2,0,0]=3 7947 B12R1.1748 CNC(=O)CN1CCCCCC1 527a_100102657272_100000740298 [0,0,0,1,0,0|2,0,0]=3 7948 B12R1.1748 CNC(=O)CN1CCCOCC1 2230a_100000685342_100000183359 [0,0,0,1,0,0|3,0,0]=4 7949 B12R1.1748 CNC(=O)CN1CCCOCC1 269982a_100000685342_100000183359 [0,0,0,1,0,0|3,0,0]=4 7950 B12R1.1748 CNC(=O)CN1CCCOCC1 34a_100000685342_100000183359 [0,0,0,1,0,0|3,0,0]=4 7951 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100000210984_106832991635 [0,0,0,1,0,0|2,0,0]=3 7952 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100102657272_100000210984 [0,0,0,1,0,0|2,0,0]=3 7953 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100000210984_100102657272 [0,0,0,1,0,0|2,0,0]=3 7954 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100102657272_100000210984 [0,0,0,1,0,0|2,0,0]=3 7955 B12R1.1748 CNC(=O)NC1CCCCCC1 512a_106832991638_100000210984 [0,0,0,1,0,0|2,0,0]=3 7956 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [0,0,0,1,0,0|1,0,0]=2 7957 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [0,0,0,1,0,0|1,0,0]=2 7958 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [0,0,0,1,0,0|1,0,0]=2 7959 B12R1.1748 COC(=O)CN1CCCOCC1 2230a_100000685342_100000747449 [0,0,0,1,0,0|2,0,0]=3 7960 B12R1.1748 COC(=O)CN1CCCOCC1 269982a_100000685342_100000747449 [0,0,0,1,0,0|2,0,0]=3 7961 B12R1.1748 COC(=O)CN1CCCOCC1 34a_100000685342_100000747449 [0,0,0,1,0,0|2,0,0]=3 7962 B12R1.1748 COC(C)SC1CCCCCC1 62a_100009879195_100011217769 [0,0,0,1,0,0|2,0,1]=4 7963 B12R1.1748 COC(C)SC1CCCCCC1 62a_100011217769_100009879195 [0,0,0,1,0,0|2,0,1]=4 7964 B12R1.1748 O=C(CF)CC1CCCCCC1 1458a_100000685095_100015361967 [0,0,0,1,0,0|2,0,0]=3 7965 B12R1.1748 O=C(CF)CN1CCCCCC1 1458a_100000740298_100015361967 [0,0,0,1,0,0|3,0,0]=4 7966 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [0,0,0,1,0,0|2,0,0]=3 7967 B12R1.1748 O=C(CO)NC1CCCCCC1 240690a_100000210984_100000210174 [0,0,0,1,0,0|3,0,0]=4 7968 B12R1.1748 O=C(CO)NC1CCCCCC1 527a_100000210984_100000210174 [0,0,0,1,0,0|3,0,0]=4 7969 B12R1.1761 CCCCCCN1CC(C1)OC 269982a_100000755009_100000210757 [0,0,0,1,0,0|2,0,1]=4 7970 B12R1.1761 CCCCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210326 [0,0,0,1,0,0|2,0,1]=4 7971 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [2,0,0,0,0,0|0,0,2]=4 7972 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [2,0,0,0,0,0|0,0,2]=4 7973 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [2,0,0,0,0,0|0,0,2]=4 7974 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [2,0,0,0,0,0|2,0,0]=4 7975 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [2,0,0,0,0,0|2,0,0]=4 7976 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [2,0,0,0,0,0|2,0,0]=4 7977 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [2,0,0,0,0,0|2,0,0]=4 7978 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [2,0,0,0,0,0|2,0,0]=4 7979 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [2,0,0,0,0,0|2,0,0]=4 7980 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [2,0,0,0,0,0|2,0,0]=4 7981 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [2,0,0,0,0,0|2,0,0]=4 7982 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [2,0,0,0,0,0|2,0,0]=4 7983 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [2,0,0,0,0,0|2,0,0]=4 7984 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [2,0,0,0,0,0|2,0,0]=4 7985 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [2,0,0,0,0,0|2,0,0]=4 7986 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [2,0,0,0,0,0|2,0,0]=4 7987 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [2,0,0,0,0,0|0,0,2]=4 7988 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [2,0,0,0,0,0|0,0,2]=4 7989 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [2,0,0,0,0,0|0,0,2]=4 7990 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [2,0,0,0,0,0|1,0,1]=4 7991 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|1,0,0]=3 7992 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|1,0,0]=3 7993 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|1,0,0]=3 7994 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [2,0,0,0,0,0|2,0,0]=4 7995 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [2,0,0,0,0,0|2,0,0]=4 7996 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [2,0,0,0,0,0|2,0,0]=4 7997 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [2,0,0,0,0,0|2,0,0]=4 7998 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [2,0,0,0,0,0|2,0,0]=4 7999 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [2,0,0,0,0,0|2,0,0]=4 8000 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [2,0,0,0,0,0|2,0,0]=4 8001 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [2,0,0,0,0,0|2,0,0]=4 8002 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [2,0,0,0,0,0|2,0,0]=4 8003 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [2,0,0,0,0,0|2,0,0]=4 8004 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [2,0,0,0,0,0|2,0,0]=4 8005 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [2,0,0,0,0,0|2,0,0]=4 8006 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [2,0,0,0,0,0|2,0,0]=4 8007 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [2,0,0,0,0,0|2,0,0]=4 8008 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [2,0,0,0,0,0|2,0,0]=4 8009 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [2,0,0,0,0,0|2,0,0]=4 8010 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [2,0,0,0,0,0|2,0,0]=4 8011 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [2,0,0,0,0,0|2,0,0]=4 8012 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [2,0,0,0,0,0|2,0,0]=4 8013 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [2,0,0,0,0,0|2,0,0]=4 8014 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [2,0,0,0,0,0|2,0,0]=4 8015 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [2,0,0,0,0,0|2,0,0]=4 8016 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [2,0,0,0,0,0|2,0,0]=4 8017 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [2,0,0,0,0,0|2,0,0]=4 8018 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [2,0,0,0,0,0|2,0,0]=4 8019 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [2,0,0,0,0,0|2,0,0]=4 8020 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [2,0,0,0,0,0|2,0,0]=4 8021 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [2,0,0,0,0,0|2,0,0]=4 8022 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [2,0,0,0,0,0|2,0,0]=4 8023 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [2,0,0,0,0,0|2,0,0]=4 8024 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [2,0,0,0,0,0|2,0,0]=4 8025 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [2,0,0,0,0,0|2,0,0]=4 8026 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [2,0,0,0,0,0|2,0,0]=4 8027 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [2,0,0,0,0,0|0,0,2]=4 8028 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [2,0,0,0,0,0|0,0,2]=4 8029 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [2,0,0,0,0,0|0,0,2]=4 8030 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [2,0,0,0,0,0|0,0,2]=4 8031 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [2,0,0,0,0,0|0,0,2]=4 8032 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [2,0,0,0,0,0|0,0,2]=4 8033 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|0,0,0]=2 8034 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|0,0,0]=2 8035 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|0,0,0]=2 8036 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [2,0,0,0,0,0|2,0,0]=4 8037 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [2,0,0,0,0,0|2,0,0]=4 8038 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [2,0,0,0,0,0|2,0,0]=4 8039 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [2,0,0,0,0,0|2,0,0]=4 8040 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [2,0,0,0,0,0|2,0,0]=4 8041 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [2,0,0,0,0,0|2,0,0]=4 8042 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 8043 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 8044 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 8045 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|1,0,0]=3 8046 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [2,0,0,0,0,0|2,0,0]=4 8047 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [2,0,0,0,0,0|2,0,0]=4 8048 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|1,0,0]=3 8049 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [2,0,0,0,0,0|2,0,0]=4 8050 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|1,0,0]=3 8051 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 8052 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 8053 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [2,0,0,0,0,0|1,0,1]=4 8054 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [2,0,0,0,0,0|2,0,0]=4 8055 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [2,0,0,0,0,0|2,0,0]=4 8056 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [2,0,0,0,0,0|1,0,1]=4 8057 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [2,0,0,0,0,0|1,0,1]=4 8058 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|1,0,0]=3 8059 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [2,0,0,0,0,0|2,0,0]=4 8060 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [2,0,0,0,0,0|2,0,0]=4 8061 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [2,0,0,0,0,0|2,0,0]=4 8062 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|1,0,0]=3 8063 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|1,0,0]=3 8064 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|1,0,0]=3 8065 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|1,0,0]=3 8066 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [2,0,0,0,0,0|2,0,0]=4 8067 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [2,0,0,0,0,0|2,0,0]=4 8068 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [2,0,0,0,0,0|2,0,0]=4 8069 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [2,0,0,0,0,0|2,0,0]=4 8070 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [2,0,0,0,0,0|2,0,0]=4 8071 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|1,0,0]=3 8072 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|1,0,0]=3 8073 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [2,0,0,0,0,0|2,0,0]=4 8074 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [2,0,0,0,0,0|2,0,0]=4 8075 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [2,0,0,0,0,0|2,0,0]=4 8076 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [2,0,0,0,0,0|2,0,0]=4 8077 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [2,0,0,0,0,0|2,0,0]=4 8078 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [2,0,0,0,0,0|2,0,0]=4 8079 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [2,0,0,0,0,0|2,0,0]=4 8080 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|1,0,0]=3 8081 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|1,0,0]=3 8082 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|1,0,0]=3 8083 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [2,0,0,0,0,0|2,0,0]=4 8084 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [2,0,0,0,0,0|2,0,0]=4 8085 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [2,0,0,0,0,0|2,0,0]=4 8086 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [2,0,0,0,0,0|2,0,0]=4 8087 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [2,0,0,0,0,0|2,0,0]=4 8088 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [2,0,0,0,0,0|2,0,0]=4 8089 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|1,0,0]=3 8090 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|1,0,0]=3 8091 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [2,0,0,0,0,0|2,0,0]=4 8092 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [2,0,0,0,0,0|2,0,0]=4 8093 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [2,0,0,0,0,0|2,0,0]=4 8094 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [2,0,0,0,0,0|2,0,0]=4 8095 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [2,0,0,0,0,0|2,0,0]=4 8096 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [2,0,0,0,0,0|2,0,0]=4 8097 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [2,0,0,0,0,0|2,0,0]=4 8098 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [2,0,0,0,0,0|2,0,0]=4 8099 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [2,0,0,0,0,0|2,0,0]=4 8100 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [2,0,0,0,0,0|2,0,0]=4 8101 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [2,0,0,0,0,0|2,0,0]=4 8102 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [2,0,0,0,0,0|2,0,0]=4 8103 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [2,0,0,0,0,0|2,0,0]=4 8104 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|1,0,0]=3 8105 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 8106 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 8107 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 8108 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 8109 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 8110 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [2,0,0,0,0,0|2,0,0]=4 8111 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [2,0,0,0,0,0|2,0,0]=4 8112 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [2,0,0,0,0,0|2,0,0]=4 8113 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [2,0,0,0,0,0|2,0,0]=4 8114 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [2,0,0,0,0,0|2,0,0]=4 8115 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [2,0,0,0,0,0|2,0,0]=4 8116 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [2,0,0,0,0,0|2,0,0]=4 8117 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [2,0,0,0,0,0|2,0,0]=4 8118 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|1,0,0]=3 8119 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|1,0,0]=3 8120 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [2,0,0,0,0,0|2,0,0]=4 8121 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [2,0,0,0,0,0|2,0,0]=4 8122 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [2,0,0,0,0,0|2,0,0]=4 8123 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [2,0,0,0,0,0|2,0,0]=4 8124 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [2,0,0,0,0,0|2,0,0]=4 8125 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [2,0,0,0,0,0|2,0,0]=4 8126 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 8127 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [2,0,0,0,0,0|2,0,0]=4 8128 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 8129 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [2,0,0,0,0,0|2,0,0]=4 8130 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [2,0,0,0,0,0|2,0,0]=4 8131 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [2,0,0,0,0,0|2,0,0]=4 8132 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [2,0,0,0,0,0|2,0,0]=4 8133 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [2,0,0,0,0,0|2,0,0]=4 8134 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [2,0,0,0,0,0|2,0,0]=4 8135 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [2,0,0,0,0,0|2,0,0]=4 8136 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|1,0,0]=3 8137 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 8138 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [2,0,0,0,0,0|2,0,0]=4 8139 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 8140 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|1,0,0]=3 8141 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [2,0,0,0,0,0|1,0,1]=4 8142 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [2,0,0,0,0,0|2,0,0]=4 8143 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [2,0,0,0,0,0|2,0,0]=4 8144 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [2,0,0,0,0,0|2,0,0]=4 8145 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [2,0,0,0,0,0|2,0,0]=4 8146 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [2,0,0,0,0,0|2,0,0]=4 8147 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [2,0,0,0,0,0|2,0,0]=4 8148 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [2,0,0,0,0,0|2,0,0]=4 8149 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [2,0,0,0,0,0|2,0,0]=4 8150 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [2,0,0,0,0,0|2,0,0]=4 8151 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [2,0,0,0,0,0|2,0,0]=4 8152 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [2,0,0,0,0,0|2,0,0]=4 8153 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [2,0,0,0,0,0|2,0,0]=4 8154 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [2,0,0,0,0,0|2,0,0]=4 8155 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [2,0,0,0,0,0|2,0,0]=4 8156 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [2,0,0,0,0,0|2,0,0]=4 8157 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [2,0,0,0,0,0|2,0,0]=4 8158 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [2,0,0,0,0,0|2,0,0]=4 8159 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [2,0,0,0,0,0|2,0,0]=4 8160 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [2,0,0,0,0,0|2,0,0]=4 8161 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [2,0,0,0,0,0|2,0,0]=4 8162 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [2,0,0,0,0,0|2,0,0]=4 8163 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [2,0,0,0,0,0|2,0,0]=4 8164 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [2,0,0,0,0,0|2,0,0]=4 8165 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [2,0,0,0,0,0|2,0,0]=4 8166 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [2,0,0,0,0,0|2,0,0]=4 8167 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [2,0,0,0,0,0|2,0,0]=4 8168 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [2,0,0,0,0,0|2,0,0]=4 8169 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [2,0,0,0,0,0|2,0,0]=4 8170 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [2,0,0,0,0,0|2,0,0]=4 8171 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [2,0,0,0,0,0|2,0,0]=4 8172 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [2,0,0,0,0,0|2,0,0]=4 8173 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|1,0,0]=3 8174 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 8175 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 8176 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [2,0,0,0,0,0|1,0,1]=4 8177 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [2,0,0,0,0,0|2,0,0]=4 8178 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [2,0,0,0,0,0|2,0,0]=4 8179 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [2,0,0,0,0,0|0,0,2]=4 8180 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [2,0,0,0,0,0|0,0,2]=4 8181 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [2,0,0,0,0,0|0,0,2]=4 8182 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [2,0,0,0,0,0|0,0,2]=4 8183 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [2,0,0,0,0,0|0,0,2]=4 8184 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [2,0,0,0,0,0|1,0,1]=4 8185 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 8186 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [2,0,0,0,0,0|1,0,1]=4 8187 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 8188 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [2,0,0,0,0,0|1,0,1]=4 8189 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [2,0,0,0,0,0|1,0,1]=4 8190 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 8191 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [2,0,0,0,0,0|1,0,1]=4 8192 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 8193 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [2,0,0,0,0,0|0,0,2]=4 8194 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [2,0,0,0,0,0|0,0,2]=4 8195 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [2,0,0,0,0,0|0,0,2]=4 8196 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [2,0,0,0,0,0|0,0,2]=4 8197 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [2,0,0,0,0,0|0,0,2]=4 8198 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [2,0,0,0,0,0|1,0,1]=4 8199 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [2,0,0,0,0,0|1,0,1]=4 8200 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [2,0,0,0,0,0|1,0,1]=4 8201 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [2,0,0,0,0,0|1,0,1]=4 8202 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [2,0,0,0,0,0|1,0,1]=4 8203 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 8204 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [2,0,0,0,0,0|1,0,1]=4 8205 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 8206 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [2,0,0,0,0,0|1,0,1]=4 8207 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [2,0,0,0,0,0|1,0,1]=4 8208 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 8209 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 8210 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [2,0,0,0,0,0|1,0,1]=4 8211 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 8212 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 8213 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [2,0,0,0,0,0|1,0,1]=4 8214 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [2,0,0,0,0,0|1,0,1]=4 8215 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [2,0,0,0,0,0|1,0,1]=4 8216 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [2,0,0,0,0,0|1,0,1]=4 8217 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [2,0,0,0,0,0|1,0,1]=4 8218 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [2,0,0,0,0,0|1,0,1]=4 8219 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 8220 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|1,0,1]=4 8221 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 8222 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|1,0,1]=4 8223 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [2,0,0,0,0,0|1,0,1]=4 8224 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [2,0,0,0,0,0|1,0,1]=4 8225 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [2,0,0,0,0,0|1,0,1]=4 8226 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [2,0,0,0,0,0|1,0,1]=4 8227 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 8228 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|1,0,1]=4 8229 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 8230 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [2,0,0,0,0,0|1,0,1]=4 8231 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [2,0,0,0,0,0|1,0,1]=4 8232 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [2,0,0,0,0,0|1,0,1]=4 8233 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [2,0,0,0,0,0|1,0,1]=4 8234 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 8235 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [2,0,0,0,0,0|1,0,1]=4 8236 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 8237 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [2,0,0,0,0,0|1,0,1]=4 8238 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [2,0,0,0,0,0|1,0,1]=4 8239 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [2,0,0,0,0,0|0,0,2]=4 8240 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [2,0,0,0,0,0|0,0,2]=4 8241 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [2,0,0,0,0,0|0,0,2]=4 8242 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [2,0,0,0,0,0|0,0,2]=4 8243 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [2,0,0,0,0,0|1,0,1]=4 8244 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [2,0,0,0,0,0|1,0,1]=4 8245 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 8246 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 8247 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [2,0,0,0,0,0|1,0,1]=4 8248 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [2,0,0,0,0,0|1,0,1]=4 8249 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [2,0,0,0,0,0|0,0,2]=4 8250 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [2,0,0,0,0,0|0,0,2]=4 8251 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [2,0,0,0,0,0|0,0,2]=4 8252 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [2,0,0,0,0,0|0,0,2]=4 8253 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [2,0,0,0,0,0|0,0,2]=4 8254 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [2,0,0,0,0,0|0,0,2]=4 8255 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [2,0,0,0,0,0|0,0,2]=4 8256 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [2,0,0,0,0,0|0,0,2]=4 8257 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [2,0,0,0,0,0|0,0,2]=4 8258 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [2,0,0,0,0,0|0,0,2]=4 8259 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [2,0,0,0,0,0|0,0,2]=4 8260 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [2,0,0,0,0,0|0,0,2]=4 8261 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [2,0,0,0,0,0|0,0,2]=4 8262 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [2,0,0,0,0,0|0,0,2]=4 8263 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [2,0,0,0,0,0|0,0,2]=4 8264 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [2,0,0,0,0,0|0,0,2]=4 8265 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [2,0,0,0,0,0|0,0,2]=4 8266 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [2,0,0,0,0,0|1,0,0]=3 8267 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [2,0,0,0,0,0|1,0,0]=3 8268 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [2,0,0,0,0,0|1,0,0]=3 8269 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [2,0,0,0,0,0|1,0,0]=3 8270 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [2,0,0,0,0,0|1,0,0]=3 8271 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [2,0,0,0,0,0|1,0,0]=3 8272 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [2,0,0,0,0,0|1,0,0]=3 8273 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|0,0,0]=2 8274 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|0,0,0]=2 8275 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|0,0,0]=2 8276 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|0,0,0]=2 8277 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|0,0,0]=2 8278 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [2,0,0,0,0,0|0,1,0]=3 8279 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [2,0,0,0,0,0|0,1,0]=3 8280 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [2,0,0,0,0,0|0,1,0]=3 8281 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [2,0,0,0,0,0|0,1,0]=3 8282 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [2,0,0,0,0,0|1,0,1]=4 8283 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [2,0,0,0,0,0|1,0,1]=4 8284 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|1,0,1]=4 8285 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|1,0,1]=4 8286 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|1,0,1]=4 8287 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [2,0,0,0,0,0|1,0,1]=4 8288 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [2,0,0,0,0,0|1,0,1]=4 8289 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|1,0,0]=3 8290 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [2,0,0,0,0,0|1,0,1]=4 8291 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [2,0,0,0,0,0|1,0,1]=4 8292 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [2,0,0,0,0,0|1,0,1]=4 8293 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [2,0,0,0,0,0|1,0,1]=4 8294 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [2,0,0,0,0,0|1,0,0]=3 8295 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [2,0,0,0,0,0|1,1,0]=4 8296 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,0]=3 8297 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,0]=3 8298 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|1,0,1]=4 8299 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|1,0,1]=4 8300 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|1,0,1]=4 8301 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [2,0,0,0,0,0|1,0,1]=4 8302 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [2,0,0,0,0,0|1,0,1]=4 8303 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [2,0,0,0,0,0|1,1,0]=4 8304 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,0,0]=3 8305 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,0,0]=3 8306 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [2,0,0,0,0,0|1,0,1]=4 8307 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [2,0,0,0,0,0|1,0,1]=4 8308 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [2,0,0,0,0,0|1,0,1]=4 8309 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [2,0,0,0,0,0|1,0,1]=4 8310 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [2,0,0,0,0,0|1,0,0]=3 8311 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [2,0,0,0,0,0|1,0,0]=3 8312 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [2,0,0,0,0,0|1,1,0]=4 8313 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [2,0,0,0,0,0|1,1,0]=4 8314 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [2,0,0,0,0,0|1,0,1]=4 8315 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [2,0,0,0,0,0|1,0,1]=4 8316 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [2,0,0,0,0,0|1,0,1]=4 8317 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [2,0,0,0,0,0|1,0,1]=4 8318 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [2,0,0,0,0,0|1,0,0]=3 8319 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [2,0,0,0,0,0|1,0,0]=3 8320 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [2,0,0,0,0,0|1,0,0]=3 8321 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [2,0,0,0,0,0|1,0,0]=3 8322 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [2,0,0,0,0,0|1,1,0]=4 8323 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [2,0,0,0,0,0|1,1,0]=4 8324 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|1,0,1]=4 8325 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|1,0,1]=4 8326 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|1,0,1]=4 8327 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|1,0,1]=4 8328 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [2,0,0,0,0,0|1,0,1]=4 8329 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [2,0,0,0,0,0|1,0,1]=4 8330 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [2,0,0,0,0,0|1,0,0]=3 8331 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [2,0,0,0,0,0|1,0,0]=3 8332 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [2,0,0,0,0,0|1,0,0]=3 8333 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [2,0,0,0,0,0|1,0,0]=3 8334 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [2,0,0,0,0,0|1,0,0]=3 8335 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [2,0,0,0,0,0|2,0,0]=4 8336 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [2,0,0,0,0,0|1,0,0]=3 8337 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [2,0,0,0,0,0|1,0,0]=3 8338 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [2,0,0,0,0,0|1,1,0]=4 8339 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [2,0,0,0,0,0|1,1,0]=4 8340 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [2,0,0,0,0,0|1,1,0]=4 8341 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [2,0,0,0,0,0|1,1,0]=4 8342 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [2,0,0,0,0,0|1,0,1]=4 8343 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [2,0,0,0,0,0|1,0,1]=4 8344 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [2,0,0,0,0,0|1,0,1]=4 8345 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [2,0,0,0,0,0|1,0,1]=4 8346 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [2,0,0,0,0,0|1,0,0]=3 8347 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [2,0,0,0,0,0|1,0,0]=3 8348 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [2,0,0,0,0,0|1,1,0]=4 8349 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [2,0,0,0,0,0|1,1,0]=4 8350 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|1,0,0]=3 8351 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|1,0,0]=3 8352 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [2,0,0,0,0,0|1,0,1]=4 8353 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [2,0,0,0,0,0|1,0,1]=4 8354 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [2,0,0,0,0,0|1,0,1]=4 8355 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [2,0,0,0,0,0|1,0,1]=4 8356 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [2,0,0,0,0,0|1,0,0]=3 8357 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [2,0,0,0,0,0|1,0,0]=3 8358 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [2,0,0,0,0,0|1,0,0]=3 8359 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [2,0,0,0,0,0|1,1,0]=4 8360 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|1,0,0]=3 8361 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [2,0,0,0,0,0|1,0,1]=4 8362 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [2,0,0,0,0,0|1,0,1]=4 8363 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 8364 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [2,0,0,0,0,0|2,0,0]=4 8365 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 8366 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 8367 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 8368 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [2,0,0,0,0,0|1,0,0]=3 8369 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [2,0,0,0,0,0|1,0,0]=3 8370 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [2,0,0,0,0,0|1,0,0]=3 8371 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [2,0,0,0,0,0|1,0,0]=3 8372 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [2,0,0,0,0,0|1,0,0]=3 8373 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [2,0,0,0,0,0|1,0,0]=3 8374 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [2,0,0,0,0,0|1,0,0]=3 8375 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [2,0,0,0,0,0|1,1,0]=4 8376 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [2,0,0,0,0,0|1,1,0]=4 8377 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [2,0,0,0,0,0|2,0,0]=4 8378 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [2,0,0,0,0,0|2,0,0]=4 8379 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [2,0,0,0,0,0|2,0,0]=4 8380 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [2,0,0,0,0,0|2,0,0]=4 8381 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|1,0,0]=3 8382 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|1,0,0]=3 8383 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [2,0,0,0,0,0|1,0,1]=4 8384 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [2,0,0,0,0,0|1,0,1]=4 8385 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [2,0,0,0,0,0|1,0,0]=3 8386 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [2,0,0,0,0,0|1,0,0]=3 8387 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [2,0,0,0,0,0|1,0,1]=4 8388 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [2,0,0,0,0,0|1,0,1]=4 8389 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [2,0,0,0,0,0|1,0,1]=4 8390 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [2,0,0,0,0,0|1,0,0]=3 8391 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [2,0,0,0,0,0|1,0,0]=3 8392 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [2,0,0,0,0,0|1,1,0]=4 8393 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [2,0,0,0,0,0|1,1,0]=4 8394 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [2,0,0,0,0,0|2,0,0]=4 8395 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [2,0,0,0,0,0|2,0,0]=4 8396 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [2,0,0,0,0,0|2,0,0]=4 8397 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [2,0,0,0,0,0|2,0,0]=4 8398 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [2,0,0,0,0,0|2,0,0]=4 8399 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [2,0,0,0,0,0|2,0,0]=4 8400 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [2,0,0,0,0,0|2,0,0]=4 8401 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [2,0,0,0,0,0|2,0,0]=4 8402 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [2,0,0,0,0,0|2,0,0]=4 8403 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,0,0,0,0|1,0,0]=3 8404 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,0,0,0,0|1,0,0]=3 8405 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [2,0,0,0,0,0|1,0,1]=4 8406 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [2,0,0,0,0,0|1,0,1]=4 8407 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [2,0,0,0,0,0|1,0,0]=3 8408 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [2,0,0,0,0,0|1,0,0]=3 8409 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [2,0,0,0,0,0|2,0,0]=4 8410 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [2,0,0,0,0,0|2,0,0]=4 8411 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [2,0,0,0,0,0|2,0,0]=4 8412 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [2,0,0,0,0,0|2,0,0]=4 8413 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [2,0,0,0,0,0|2,0,0]=4 8414 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [2,0,0,0,0,0|2,0,0]=4 8415 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,0,0,0,0|1,0,0]=3 8416 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [2,0,0,0,0,0|1,0,1]=4 8417 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [2,0,0,0,0,0|1,0,1]=4 8418 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [2,0,0,0,0,0|1,0,1]=4 8419 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [2,0,0,0,0,0|1,0,0]=3 8420 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [2,0,0,0,0,0|1,0,0]=3 8421 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [2,0,0,0,0,0|2,0,0]=4 8422 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [2,0,0,0,0,0|2,0,0]=4 8423 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [2,0,0,0,0,0|2,0,0]=4 8424 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [2,0,0,0,0,0|1,0,1]=4 8425 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [2,0,0,0,0,0|2,0,0]=4 8426 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [2,0,0,0,0,0|2,0,0]=4 8427 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [2,0,0,0,0,0|2,0,0]=4 8428 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [2,0,0,0,0,0|2,0,0]=4 8429 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [2,0,0,0,0,0|2,0,0]=4 8430 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [2,0,0,0,0,0|2,0,0]=4 8431 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [2,0,0,0,0,0|2,0,0]=4 8432 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [2,0,0,0,0,0|2,0,0]=4 8433 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [2,0,0,0,0,0|2,0,0]=4 8434 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [2,0,0,0,0,0|2,0,0]=4 8435 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [2,0,0,0,0,0|2,0,0]=4 8436 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [2,0,0,0,0,0|2,0,0]=4 8437 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [2,0,0,0,0,0|2,0,0]=4 8438 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [2,0,0,0,0,0|2,0,0]=4 8439 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [2,0,0,0,0,0|2,0,0]=4 8440 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [2,0,0,0,0,0|2,0,0]=4 8441 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [2,0,0,0,0,0|2,0,0]=4 8442 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [2,0,0,0,0,0|2,0,0]=4 8443 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [2,0,0,0,0,0|2,0,0]=4 8444 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [2,0,0,0,0,0|2,0,0]=4 8445 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [2,0,0,0,0,0|2,0,0]=4 8446 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [2,0,0,0,0,0|2,0,0]=4 8447 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [2,0,0,0,0,0|2,0,0]=4 8448 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [2,0,0,0,0,0|2,0,0]=4 8449 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [2,0,0,0,0,0|2,0,0]=4 8450 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [2,0,0,0,0,0|2,0,0]=4 8451 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [2,0,0,0,0,0|2,0,0]=4 8452 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [2,0,0,0,0,0|2,0,0]=4 8453 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [2,0,0,0,0,0|2,0,0]=4 8454 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [2,0,0,0,0,0|2,0,0]=4 8455 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,0,0,0,0|1,0,0]=3 8456 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,0,0,0,0|1,0,0]=3 8457 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [2,0,0,0,0,0|1,0,1]=4 8458 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [2,0,0,0,0,0|1,0,1]=4 8459 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [2,0,0,0,0,0|2,0,0]=4 8460 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [2,0,0,0,0,0|2,0,0]=4 8461 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [2,0,0,0,0,0|2,0,0]=4 8462 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [2,0,0,0,0,0|2,0,0]=4 8463 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [2,0,0,0,0,0|2,0,0]=4 8464 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [2,0,0,0,0,0|2,0,0]=4 8465 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [2,0,0,0,0,0|2,0,0]=4 8466 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [2,0,0,0,0,0|2,0,0]=4 8467 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [2,0,0,0,0,0|2,0,0]=4 8468 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [2,0,0,0,0,0|2,0,0]=4 8469 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [2,0,0,0,0,0|2,0,0]=4 8470 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [2,0,0,0,0,0|1,0,1]=4 8471 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [2,0,0,0,0,0|1,0,1]=4 8472 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [2,0,0,0,0,0|1,0,1]=4 8473 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [2,0,0,0,0,0|1,0,1]=4 8474 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [2,0,0,0,0,0|1,0,1]=4 8475 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [2,0,0,0,0,0|1,0,0]=3 8476 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [2,0,0,0,0,0|1,0,0]=3 8477 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [2,0,0,0,0,0|1,0,0]=3 8478 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [2,0,0,0,0,0|2,0,0]=4 8479 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [2,0,0,0,0,0|2,0,0]=4 8480 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [2,0,0,0,0,0|2,0,0]=4 8481 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [2,0,0,0,0,0|2,0,0]=4 8482 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [2,0,0,0,0,0|2,0,0]=4 8483 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [2,0,0,0,0,0|2,0,0]=4 8484 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [2,0,0,0,0,0|1,0,0]=3 8485 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [2,0,0,0,0,0|1,0,0]=3 8486 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [2,0,0,0,0,0|1,0,0]=3 8487 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [2,0,0,0,0,0|1,0,0]=3 8488 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [2,0,0,0,0,0|1,0,0]=3 8489 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [2,0,0,0,0,0|1,0,0]=3 8490 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [2,0,0,0,0,0|1,0,0]=3 8491 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [2,0,0,0,0,0|1,0,0]=3 8492 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [2,0,0,0,0,0|1,0,0]=3 8493 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [2,0,0,0,0,0|1,0,0]=3 8494 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [2,0,0,0,0,0|1,0,0]=3 8495 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [2,0,0,0,0,0|1,0,0]=3 8496 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [2,0,0,0,0,0|1,0,0]=3 8497 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [2,0,0,0,0,0|2,0,0]=4 8498 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [2,0,0,0,0,0|2,0,0]=4 8499 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [2,0,0,0,0,0|2,0,0]=4 8500 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [2,0,0,0,0,0|2,0,0]=4 8501 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [2,0,0,0,0,0|2,0,0]=4 8502 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [2,0,0,0,0,0|2,0,0]=4 8503 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [2,0,0,0,0,0|2,0,0]=4 8504 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [2,0,0,0,0,0|2,0,0]=4 8505 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [2,0,0,0,0,0|2,0,0]=4 8506 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [2,0,0,0,0,0|2,0,0]=4 8507 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [2,0,0,0,0,0|2,0,0]=4 8508 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [2,0,0,0,0,0|2,0,0]=4 8509 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [2,0,0,0,0,0|2,0,0]=4 8510 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [2,0,0,0,0,0|2,0,0]=4 8511 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [2,0,0,0,0,0|2,0,0]=4 8512 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [2,0,0,0,0,0|2,0,0]=4 8513 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [2,0,0,0,0,0|2,0,0]=4 8514 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [2,0,0,0,0,0|2,0,0]=4 8515 B9R0.45 COCCCCSCSC 62a_100000730899_100011218213 [2,0,0,0,0,0|2,0,0]=4 8516 B9R0.45 COCCCCSCSC 62a_100011218213_100000730899 [2,0,0,0,0,0|2,0,0]=4 8517 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [2,0,0,0,0,0|2,0,0]=4 8518 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [2,0,0,0,0,0|2,0,0]=4 8519 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [2,0,0,0,0,0|2,0,0]=4 8520 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [2,0,0,0,0,0|2,0,0]=4 8521 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [2,0,0,0,0,0|2,0,0]=4 8522 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [2,0,0,0,0,0|2,0,0]=4 8523 B9R0.45 COCCCNCCSC 2230a_100020590264_100000740836 [2,0,0,0,0,0|2,0,0]=4 8524 B9R0.45 COCCCNCCSC 34a_100150723488_100000212216 [2,0,0,0,0,0|2,0,0]=4 8525 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [2,0,0,0,0,0|2,0,0]=4 8526 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [2,0,0,0,0,0|2,0,0]=4 8527 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [2,0,0,0,0,0|2,0,0]=4 8528 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [2,0,0,0,0,0|2,0,0]=4 8529 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [2,0,0,0,0,0|2,0,0]=4 8530 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 8531 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [2,0,0,0,0,0|2,0,0]=4 8532 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [2,0,0,0,0,0|2,0,0]=4 8533 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [2,0,0,0,0,0|2,0,0]=4 8534 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [2,0,0,0,0,0|2,0,0]=4 8535 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [2,0,0,0,0,0|2,0,0]=4 8536 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [2,0,0,0,0,0|2,0,0]=4 8537 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [2,0,0,0,0,0|2,0,0]=4 8538 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [2,0,0,0,0,0|2,0,0]=4 8539 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [2,0,0,0,0,0|2,0,0]=4 8540 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [2,0,0,0,0,0|2,0,0]=4 8541 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [2,0,0,0,0,0|2,0,0]=4 8542 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [2,0,0,0,0,0|2,0,0]=4 8543 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [2,0,0,0,0,0|2,0,0]=4 8544 B9R0.45 COCCCSCCSC 62a_100000212216_100000709357 [2,0,0,0,0,0|2,0,0]=4 8545 B9R0.45 COCCCSCCSC 62a_100000709357_100000751147 [2,0,0,0,0,0|2,0,0]=4 8546 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [2,0,0,0,0,0|2,0,0]=4 8547 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [2,0,0,0,0,0|2,0,0]=4 8548 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [2,0,0,0,0,0|2,0,0]=4 8549 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 8550 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 8551 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [2,0,0,0,0,0|2,0,0]=4 8552 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [2,0,0,0,0,0|2,0,0]=4 8553 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [2,0,0,0,0,0|2,0,0]=4 8554 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [2,0,0,0,0,0|2,0,0]=4 8555 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [2,0,0,0,0,0|2,0,0]=4 8556 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [2,0,0,0,0,0|2,0,0]=4 8557 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [2,0,0,0,0,0|2,0,0]=4 8558 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [2,0,0,0,0,0|2,0,0]=4 8559 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 8560 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [2,0,0,0,0,0|2,0,0]=4 8561 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [2,0,0,0,0,0|2,0,0]=4 8562 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [2,0,0,0,0,0|2,0,0]=4 8563 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [2,0,0,0,0,0|2,0,0]=4 8564 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [2,0,0,0,0,0|2,0,0]=4 8565 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [2,0,0,0,0,0|2,0,0]=4 8566 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [2,0,0,0,0,0|2,0,0]=4 8567 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [2,0,0,0,0,0|2,0,0]=4 8568 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [2,0,0,0,0,0|2,0,0]=4 8569 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [2,0,0,0,0,0|2,0,0]=4 8570 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [2,0,0,0,0,0|2,0,0]=4 8571 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [2,0,0,0,0,0|2,0,0]=4 8572 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [2,0,0,0,0,0|2,0,0]=4 8573 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [2,0,0,0,0,0|2,0,0]=4 8574 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [2,0,0,0,0,0|2,0,0]=4 8575 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [2,0,0,0,0,0|2,0,0]=4 8576 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [2,0,0,0,0,0|2,0,0]=4 8577 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [2,0,0,0,0,0|2,0,0]=4 8578 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [2,0,0,0,0,0|2,0,0]=4 8579 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [2,0,0,0,0,0|2,0,0]=4 8580 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [2,0,0,0,0,0|2,0,0]=4 8581 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [2,0,0,0,0,0|2,0,0]=4 8582 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [2,0,0,0,0,0|1,0,1]=4 8583 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [2,0,0,0,0,0|1,0,1]=4 8584 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [2,0,0,0,0,0|2,0,0]=4 8585 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [2,0,0,0,0,0|2,0,0]=4 8586 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [2,0,0,0,0,0|2,0,0]=4 8587 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [2,0,0,0,0,0|2,0,0]=4 8588 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [2,0,0,0,0,0|2,0,0]=4 8589 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [2,0,0,0,0,0|2,0,0]=4 8590 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [2,0,0,0,0,0|2,0,0]=4 8591 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [2,0,0,0,0,0|2,0,0]=4 8592 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 8593 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [2,0,0,0,0,0|2,0,0]=4 8594 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [2,0,0,0,0,0|2,0,0]=4 8595 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [2,0,0,0,0,0|2,0,0]=4 8596 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [2,0,0,0,0,0|2,0,0]=4 8597 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [2,0,0,0,0,0|2,0,0]=4 8598 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [2,0,0,0,0,0|2,0,0]=4 8599 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [2,0,0,0,0,0|2,0,0]=4 8600 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [2,0,0,0,0,0|2,0,0]=4 8601 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [2,0,0,0,0,0|2,0,0]=4 8602 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [2,0,0,0,0,0|2,0,0]=4 8603 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [2,0,0,0,0,0|2,0,0]=4 8604 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [2,0,0,0,0,0|2,0,0]=4 8605 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [2,0,0,0,0,0|2,0,0]=4 8606 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 8607 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [2,0,0,0,0,0|2,0,0]=4 8608 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [2,0,0,0,0,0|2,0,0]=4 8609 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [2,0,0,0,0,0|2,0,0]=4 8610 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 8611 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [2,0,0,0,0,0|2,0,0]=4 8612 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [2,0,0,0,0,0|2,0,0]=4 8613 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [2,0,0,0,0,0|2,0,0]=4 8614 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [2,0,0,0,0,0|2,0,0]=4 8615 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 8616 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [2,0,0,0,0,0|2,0,0]=4 8617 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [2,0,0,0,0,0|1,0,1]=4 8618 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [2,0,0,0,0,0|1,0,1]=4 8619 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [2,0,0,0,0,0|1,0,0]=3 8620 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [2,0,0,0,0,0|1,0,0]=3 8621 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [2,0,0,0,0,0|1,0,0]=3 8622 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 8623 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [2,0,0,0,0,0|1,0,1]=4 8624 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [2,0,0,0,0,0|1,0,1]=4 8625 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [2,0,0,0,0,0|1,0,1]=4 8626 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [2,0,0,0,0,0|1,0,1]=4 8627 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [2,0,0,0,0,0|2,0,0]=4 8628 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [2,0,0,0,0,0|2,0,0]=4 8629 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [2,0,0,0,0,0|2,0,0]=4 8630 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [2,0,0,0,0,0|2,0,0]=4 8631 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [2,0,0,0,0,0|1,0,0]=3 8632 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [2,0,0,0,0,0|1,0,0]=3 8633 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [2,0,0,0,0,0|2,0,0]=4 8634 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [2,0,0,0,0,0|2,0,0]=4 8635 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [2,0,0,0,0,0|1,0,0]=3 8636 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [2,0,0,0,0,0|1,0,0]=3 8637 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [2,0,0,0,0,0|1,0,0]=3 8638 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [2,0,0,0,0,0|1,0,0]=3 8639 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [2,0,0,0,0,0|1,0,1]=4 8640 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [2,0,0,0,0,0|1,0,1]=4 8641 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [2,0,0,0,0,0|1,0,1]=4 8642 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [2,0,0,0,0,0|1,0,1]=4 8643 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [2,0,0,0,0,0|1,0,1]=4 8644 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [2,0,0,0,0,0|2,0,0]=4 8645 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [2,0,0,0,0,0|2,0,0]=4 8646 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [2,0,0,0,0,0|2,0,0]=4 8647 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [2,0,0,0,0,0|2,0,0]=4 8648 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [2,0,0,0,0,0|2,0,0]=4 8649 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [2,0,0,0,0,0|2,0,0]=4 8650 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [2,0,0,0,0,0|2,0,0]=4 8651 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [2,0,0,0,0,0|2,0,0]=4 8652 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [2,0,0,0,0,0|2,0,0]=4 8653 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [2,0,0,0,0,0|2,0,0]=4 8654 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [2,0,0,0,0,0|2,0,0]=4 8655 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [2,0,0,0,0,0|2,0,0]=4 8656 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [2,0,0,0,0,0|2,0,0]=4 8657 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [2,0,0,0,0,0|2,0,0]=4 8658 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [2,0,0,0,0,0|1,0,0]=3 8659 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [2,0,0,0,0,0|1,0,0]=3 8660 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [2,0,0,0,0,0|2,0,0]=4 8661 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [2,0,0,0,0,0|2,0,0]=4 8662 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [2,0,0,0,0,0|2,0,0]=4 8663 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [2,0,0,0,0,0|2,0,0]=4 8664 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [2,0,0,0,0,0|2,0,0]=4 8665 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [2,0,0,0,0,0|2,0,0]=4 8666 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [2,0,0,0,0,0|2,0,0]=4 8667 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [2,0,0,0,0,0|2,0,0]=4 8668 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [2,0,0,0,0,0|2,0,0]=4 8669 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [2,0,0,0,0,0|2,0,0]=4 8670 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [2,0,0,0,0,0|2,0,0]=4 8671 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [2,0,0,0,0,0|1,0,0]=3 8672 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [2,0,0,0,0,0|1,0,0]=3 8673 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [2,0,0,0,0,0|2,0,0]=4 8674 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [2,0,0,0,0,0|2,0,0]=4 8675 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [2,0,0,0,0,0|2,0,0]=4 8676 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [2,0,0,0,0,0|2,0,0]=4 8677 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [2,0,0,0,0,0|2,0,0]=4 8678 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [2,0,0,0,0,0|2,0,0]=4 8679 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [2,0,0,0,0,0|2,0,0]=4 8680 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [2,0,0,0,0,0|2,0,0]=4 8681 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [2,0,0,0,0,0|2,0,0]=4 8682 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [2,0,0,0,0,0|1,0,0]=3 8683 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [2,0,0,0,0,0|1,0,0]=3 8684 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [2,0,0,0,0,0|2,0,0]=4 8685 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [2,0,0,0,0,0|2,0,0]=4 8686 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [2,0,0,0,0,0|2,0,0]=4 8687 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [2,0,0,0,0,0|2,0,0]=4 8688 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [2,0,0,0,0,0|2,0,0]=4 8689 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [2,0,0,0,0,0|1,0,0]=3 8690 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [2,0,0,0,0,0|2,0,0]=4 8691 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [2,0,0,0,0,0|2,0,0]=4 8692 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [2,0,0,0,0,0|1,0,0]=3 8693 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [2,0,0,0,0,0|1,0,0]=3 8694 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [2,0,0,0,0,0|2,0,0]=4 8695 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [2,0,0,0,0,0|2,0,0]=4 8696 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [2,0,0,0,0,0|2,0,0]=4 8697 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [2,0,0,0,0,0|2,0,0]=4 8698 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [2,0,0,0,0,0|1,0,0]=3 8699 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [2,0,0,0,0,0|2,0,0]=4 8700 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [2,0,0,0,0,0|2,0,0]=4 8701 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [2,0,0,0,0,0|1,0,0]=3 8702 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [2,0,0,0,0,0|2,0,0]=4 8703 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [2,0,0,0,0,0|2,0,0]=4 8704 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [2,0,0,0,0,0|2,0,0]=4 8705 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [2,0,0,0,0,0|2,0,0]=4 8706 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [2,0,0,0,0,0|2,0,0]=4 8707 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [2,0,0,0,0,0|2,0,0]=4 8708 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [2,0,0,0,0,0|1,0,0]=3 8709 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [2,0,0,0,0,0|1,0,0]=3 8710 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [2,0,0,0,0,0|2,0,0]=4 8711 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [2,0,0,0,0,0|1,0,0]=3 8712 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [2,0,0,0,0,0|1,0,0]=3 8713 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [2,0,0,0,0,0|1,0,0]=3 8714 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [2,0,0,0,0,0|2,0,0]=4 8715 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [2,0,0,0,0,0|2,0,0]=4 8716 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [2,0,0,0,0,0|2,0,0]=4 8717 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [2,0,0,0,0,0|1,0,0]=3 8718 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [2,0,0,0,0,0|1,0,0]=3 8719 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [2,0,0,0,0,0|1,0,0]=3 8720 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [2,0,0,0,0,0|1,0,0]=3 8721 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [2,0,0,0,0,0|1,0,0]=3 8722 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [2,0,0,0,0,0|1,0,0]=3 8723 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [2,0,0,0,0,0|2,0,0]=4 8724 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [2,0,0,0,0,0|2,0,0]=4 8725 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [2,0,0,0,0,0|2,0,0]=4 8726 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [2,0,0,0,0,0|2,0,0]=4 8727 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [2,0,0,0,0,0|2,0,0]=4 8728 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [2,0,0,0,0,0|2,0,0]=4 8729 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [2,0,0,0,0,0|2,0,0]=4 8730 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [2,0,0,0,0,0|2,0,0]=4 8731 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [2,0,0,0,0,0|2,0,0]=4 8732 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [2,0,0,0,0,0|2,0,0]=4 8733 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [2,0,0,0,0,0|2,0,0]=4 8734 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [2,0,0,0,0,0|2,0,0]=4 8735 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [2,0,0,0,0,0|2,0,0]=4 8736 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [2,0,0,0,0,0|2,0,0]=4 8737 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [2,0,0,0,0,0|2,0,0]=4 8738 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [2,0,0,0,0,0|2,0,0]=4 8739 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [2,0,0,0,0,0|2,0,0]=4 8740 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [2,0,0,0,0,0|2,0,0]=4 8741 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [2,0,0,0,0,0|2,0,0]=4 8742 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [2,0,0,0,0,0|2,0,0]=4 8743 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [2,0,0,0,0,0|2,0,0]=4 8744 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [2,0,0,0,0,0|2,0,0]=4 8745 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [2,0,0,0,0,0|2,0,0]=4 8746 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [2,0,0,0,0,0|2,0,0]=4 8747 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [2,0,0,0,0,0|2,0,0]=4 8748 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [2,0,0,0,0,0|2,0,0]=4 8749 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [2,0,0,0,0,0|2,0,0]=4 8750 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [2,0,0,0,0,0|2,0,0]=4 8751 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [2,0,0,0,0,0|2,0,0]=4 8752 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [2,0,0,0,0,0|2,0,0]=4 8753 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [2,0,0,0,0,0|2,0,0]=4 8754 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [2,0,0,0,0,0|2,0,0]=4 8755 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [2,0,0,0,0,0|1,0,0]=3 8756 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [2,0,0,0,0,0|1,0,0]=3 8757 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [2,0,0,0,0,0|1,0,0]=3 8758 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [2,0,0,0,0,0|2,0,0]=4 8759 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [2,0,0,0,0,0|2,0,0]=4 8760 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [2,0,0,0,0,0|2,0,0]=4 8761 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [2,0,0,0,0,0|2,0,0]=4 8762 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [2,0,0,0,0,0|2,0,0]=4 8763 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [2,0,0,0,0,0|2,0,0]=4 8764 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [2,0,0,0,0,0|2,0,0]=4 8765 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [1,1,0,0,0,0|1,0,1]=4 8766 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_100000225649_100000210314 [1,1,0,0,0,0|2,0,0]=4 8767 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_106256046315_100000748629 [1,1,0,0,0,0|2,0,0]=4 8768 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_100000225649_100000210757 [1,1,0,0,0,0|2,0,0]=4 8769 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_106256046315_100000748629 [1,1,0,0,0,0|2,0,0]=4 8770 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [1,1,0,0,0,0|1,0,1]=4 8771 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [1,1,0,0,0,0|1,0,1]=4 8772 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [1,1,0,0,0,0|0,0,2]=4 8773 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [1,1,0,0,0,0|1,0,0]=3 8774 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [1,1,0,0,0,0|1,0,0]=3 8775 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [1,1,0,0,0,0|1,0,0]=3 8776 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [1,1,0,0,0,0|1,0,0]=3 8777 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [1,1,0,0,0,0|2,0,0]=4 8778 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [1,1,0,0,0,0|2,0,0]=4 8779 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [1,1,0,0,0,0|2,0,0]=4 8780 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [1,1,0,0,0,0|1,0,0]=3 8781 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [1,1,0,0,0,0|1,0,1]=4 8782 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [1,1,0,0,0,0|1,0,1]=4 8783 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [1,1,0,0,0,0|2,0,0]=4 8784 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [1,1,0,0,0,0|2,0,0]=4 8785 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [1,1,0,0,0,0|1,0,0]=3 8786 B11R0.2 CCCCOCN(C)CC(=O)O 269956a_100000746989_100011995733 [1,1,0,0,0,0|2,0,0]=4 8787 B11R0.2 CCCOCCN(C)CC(=O)O 269956a_100000746989_100011215938 [1,1,0,0,0,0|2,0,0]=4 8788 B11R0.2 CCOCCCN(C)CC(=O)O 269956a_100000746989_100012232248 [1,1,0,0,0,0|2,0,0]=4 8789 B11R0.2 CCOCNCC(O)CC(=O)O 269956a_100011218706_100000739092 [1,1,0,0,0,0|2,0,0]=4 8790 B11R0.2 CN(CCCCCF)CC(=O)O 269956a_100000746989_100000729378 [1,1,0,0,0,0|2,0,0]=4 8791 B11R0.2 CN(CCCCCO)CC(=O)O 269956a_100000746989_100000746330 [1,1,0,0,0,0|2,0,0]=4 8792 B11R0.2 COCCCCN(C)CC(=O)O 269956a_100000746989_100000730899 [1,1,0,0,0,0|2,0,0]=4 8793 B11R0.2 COCCNCC(O)CC(=O)O 269956a_100011218706_100000233755 [1,1,0,0,0,0|2,0,0]=4 8794 B11R0.2 CSCCNCC(O)CC(=O)O 269956a_100011218706_100000212216 [1,1,0,0,0,0|2,0,0]=4 8795 B11R0.2 O=C(O)CC(O)CNCCCF 269956a_100011218706_100011934791 [1,1,0,0,0,0|2,0,0]=4 8796 B11R0.2 O=C(O)CC(O)CNCCCO 269956a_100011218706_100011215043 [1,1,0,0,0,0|2,0,0]=4 8797 B11R0.30 C=C(C)CCNCCCC(C)C 2230a_200000737386_100000730704 [1,1,0,0,0,0|2,0,0]=4 8798 B11R0.30 C=C(C)CCNCCCC(C)C 34a_200000737386_100000730704 [1,1,0,0,0,0|2,0,0]=4 8799 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000759063_100000730704 [1,1,0,0,0,0|1,0,1]=4 8800 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000764851_100000685027 [1,1,0,0,0,0|1,0,1]=4 8801 B11R0.30 C=C(C)CCOCCCC(=O)C 7a_100000759063_100000730704 [1,1,0,0,0,0|1,0,1]=4 8802 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000210774_100000730704 [1,1,0,0,0,0|2,0,0]=4 8803 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000764851_100011214892 [1,1,0,0,0,0|2,0,0]=4 8804 B11R0.30 C=C(C)CCOCCCC(C)C 7a_100000210774_100000730704 [1,1,0,0,0,0|2,0,0]=4 8805 B11R0.30 C=C(C)CCOCCCC(C)O 34a_100000764851_200000718107 [1,1,0,0,0,0|2,0,0]=4 8806 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100000730704_100011215641 [1,1,0,0,0,0|1,0,1]=4 8807 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100011215641_100000730704 [1,1,0,0,0,0|1,0,1]=4 8808 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100000730704_100011214892 [1,1,0,0,0,0|2,0,0]=4 8809 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100011214892_100000730704 [1,1,0,0,0,0|2,0,0]=4 8810 B11R0.30 C=C(C)CCSCCCC(C)O 62a_100000730704_200000718107 [1,1,0,0,0,0|2,0,0]=4 8811 B11R0.30 C=C(C)CCSCCCC(C)O 62a_200000718107_100000730704 [1,1,0,0,0,0|2,0,0]=4 8812 B11R0.30 C=C(C)COCCCCC(=O)C 34a_100000210245_100009817362 [1,1,0,0,0,0|1,0,1]=4 8813 B11R0.30 C=C(C)COCCCCC(C)C 34a_100000210245_100011216152 [1,1,0,0,0,0|2,0,0]=4 8814 B11R0.30 C=C(C)COCCCCC(C)C 34a_100011214890_100000748629 [1,1,0,0,0,0|2,0,0]=4 8815 B11R0.30 C=C(C)COCCCCC(C)C 7a_100011214890_100000748629 [1,1,0,0,0,0|2,0,0]=4 8816 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000735457_100000211660 [1,1,0,0,0,0|1,0,1]=4 8817 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000748629_100000735457 [1,1,0,0,0,0|1,0,1]=4 8818 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100000748629_100011216152 [1,1,0,0,0,0|2,0,0]=4 8819 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100011216152_100000211660 [1,1,0,0,0,0|2,0,0]=4 8820 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [1,1,0,0,0,0|0,0,2]=4 8821 B11R0.30 CC(=O)CCCCCCB(O)O 1458a_100000070787_100009817187 [1,1,0,0,0,0|2,0,0]=4 8822 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,1,0,0,0,0|0,0,0]=2 8823 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [1,1,0,0,0,0|1,0,1]=4 8824 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [1,1,0,0,0,0|1,0,1]=4 8825 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [1,1,0,0,0,0|1,0,1]=4 8826 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [1,1,0,0,0,0|1,0,0]=3 8827 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [1,1,0,0,0,0|1,0,0]=3 8828 B11R0.30 CC(=O)CCCCNCC(F)F 34a_100000765723_100009817362 [1,1,0,0,0,0|2,0,0]=4 8829 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [1,1,0,0,0,0|1,0,1]=4 8830 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [1,1,0,0,0,0|1,0,0]=3 8831 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [1,1,0,0,0,0|1,0,0]=3 8832 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [1,1,0,0,0,0|1,0,0]=3 8833 B11R0.30 CC(=O)CCCCOCC(F)F 34a_100000743014_100009817362 [1,1,0,0,0,0|2,0,0]=4 8834 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [1,1,0,0,0,0|1,0,0]=3 8835 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [1,1,0,0,0,0|1,0,0]=3 8836 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [1,1,0,0,0,0|1,0,0]=3 8837 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [1,1,0,0,0,0|1,0,0]=3 8838 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [1,1,0,0,0,0|1,0,0]=3 8839 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [1,1,0,0,0,0|1,0,0]=3 8840 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100000735457_100011934356 [1,1,0,0,0,0|2,0,0]=4 8841 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100011934356_100000735457 [1,1,0,0,0,0|2,0,0]=4 8842 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [1,1,0,0,0,0|1,0,0]=3 8843 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [1,1,0,0,0,0|1,0,0]=3 8844 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [1,1,0,0,0,0|1,0,1]=4 8845 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [1,1,0,0,0,0|1,0,1]=4 8846 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [1,1,0,0,0,0|1,0,1]=4 8847 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [1,1,0,0,0,0|1,0,0]=3 8848 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [1,1,0,0,0,0|1,0,0]=3 8849 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [1,1,0,0,0,0|1,0,0]=3 8850 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [1,1,0,0,0,0|1,0,0]=3 8851 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [1,1,0,0,0,0|1,0,0]=3 8852 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [1,1,0,0,0,0|1,0,0]=3 8853 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [1,1,0,0,0,0|1,0,0]=3 8854 B11R0.30 CC(=O)CCCOCCC(F)F 34a_100103093639_100000685027 [1,1,0,0,0,0|2,0,0]=4 8855 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [1,1,0,0,0,0|2,0,0]=4 8856 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [1,1,0,0,0,0|1,0,0]=3 8857 B11R0.30 CC(=O)CCCOCOC(C)C 34a_100000759063_100000709892 [1,1,0,0,0,0|2,0,0]=4 8858 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [1,1,0,0,0,0|1,0,1]=4 8859 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [1,1,0,0,0,0|1,0,1]=4 8860 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [1,1,0,0,0,0|1,0,0]=3 8861 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [1,1,0,0,0,0|1,0,0]=3 8862 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [1,1,0,0,0,0|1,0,0]=3 8863 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [1,1,0,0,0,0|1,0,0]=3 8864 B11R0.30 CC(=O)CCCSCCN(C)C 62a_100011215641_100000755713 [1,1,0,0,0,0|2,0,0]=4 8865 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100000709892_100011215641 [1,1,0,0,0,0|2,0,0]=4 8866 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100011215641_100000709892 [1,1,0,0,0,0|2,0,0]=4 8867 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [1,1,0,0,0,0|1,0,0]=3 8868 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [1,1,0,0,0,0|1,0,0]=3 8869 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [1,1,0,0,0,0|1,0,0]=3 8870 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [1,1,0,0,0,0|1,0,0]=3 8871 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [1,1,0,0,0,0|1,0,0]=3 8872 B11R0.30 CC(=O)CCOCCCN(C)C 7a_100000759926_100000757444 [1,1,0,0,0,0|2,0,0]=4 8873 B11R0.30 CC(=O)CCOCCOC(C)C 34a_100000759926_100000211751 [1,1,0,0,0,0|2,0,0]=4 8874 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000211219_100000053229 [1,1,0,0,0,0|2,0,0]=4 8875 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000759926_100000211751 [1,1,0,0,0,0|2,0,0]=4 8876 B11R0.30 CC(=O)CCOCCSC(C)C 34a_100000759926_100000730970 [1,1,0,0,0,0|2,0,0]=4 8877 B11R0.30 CC(=O)CCOCCSC(C)C 7a_100000759926_100000730970 [1,1,0,0,0,0|2,0,0]=4 8878 B11R0.30 CC(=O)CCOCCSC(C)C 7a_200011212901_100000053229 [1,1,0,0,0,0|2,0,0]=4 8879 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [1,1,0,0,0,0|1,0,0]=3 8880 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [1,1,0,0,0,0|1,0,0]=3 8881 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [1,1,0,0,0,0|1,0,0]=3 8882 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [1,1,0,0,0,0|1,0,0]=3 8883 B11R0.30 CC(=O)CCSCCCN(C)C 62a_100000053229_100000757444 [1,1,0,0,0,0|2,0,0]=4 8884 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000053229_100000211751 [1,1,0,0,0,0|2,0,0]=4 8885 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000211751_100000053229 [1,1,0,0,0,0|2,0,0]=4 8886 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000053229_100000730970 [1,1,0,0,0,0|2,0,0]=4 8887 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000730970_100000053229 [1,1,0,0,0,0|2,0,0]=4 8888 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [1,1,0,0,0,0|1,0,0]=3 8889 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [1,1,0,0,0,0|1,0,1]=4 8890 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [1,1,0,0,0,0|1,0,0]=3 8891 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [1,1,0,0,0,0|1,0,0]=3 8892 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [1,1,0,0,0,0|1,0,0]=3 8893 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [1,1,0,0,0,0|2,0,0]=4 8894 B11R0.30 CC(=O)NCCCCNC(C)C 2230a_200011368371_100000210206 [1,1,0,0,0,0|2,0,0]=4 8895 B11R0.30 CC(=O)NCCCCNC(C)C 34a_200011368371_100000210206 [1,1,0,0,0,0|2,0,0]=4 8896 B11R0.30 CC(=O)NCCCNCC(C)C 270004a_100000736810_100000210432 [1,1,0,0,0,0|2,0,0]=4 8897 B11R0.30 CC(=O)NCCCNCC(C)C 34a_100000736810_100000210624 [1,1,0,0,0,0|2,0,0]=4 8898 B11R0.30 CC(=O)NCCCNCC(C)O 34a_100000736810_100011218427 [1,1,0,0,0,0|2,0,0]=4 8899 B11R0.30 CC(=O)NCCCNC[C@@H](C)O 34a_100000736810_100009817552 [1,1,0,0,0,0|2,0,0]=4 8900 B11R0.30 CC(=O)NCCCOCC(C)C 11a_100000205972_100015343762 [1,1,0,0,0,0|2,0,0]=4 8901 B11R0.30 CC(=O)NCCCOCC(C)C 1626a_100000205972_100015343762 [1,1,0,0,0,0|2,0,0]=4 8902 B11R0.30 CC(=O)NCCCOCC(C)C 240690a_100000205972_100015343762 [1,1,0,0,0,0|2,0,0]=4 8903 B11R0.30 CC(=O)NCCCOCC(C)C 34a_100000752032_100000210624 [1,1,0,0,0,0|2,0,0]=4 8904 B11R0.30 CC(=O)NCCCOCC(C)C 527a_100000205972_100103153847 [1,1,0,0,0,0|2,0,0]=4 8905 B11R0.30 CC(=O)NCCCOCC(C)O 34a_100000752032_100011218427 [1,1,0,0,0,0|2,0,0]=4 8906 B11R0.30 CC(=O)NCCCOC[C@@H](C)O 34a_100000752032_100009817552 [1,1,0,0,0,0|2,0,0]=4 8907 B11R0.30 CC(=O)NCCNCCC(C)C 2230a_100000209853_100000210312 [1,1,0,0,0,0|2,0,0]=4 8908 B11R0.30 CC(=O)NCCNCCC(C)C 269862a_100000209853_100000185833 [1,1,0,0,0,0|2,0,0]=4 8909 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_100000209853_100012276601 [1,1,0,0,0,0|2,0,0]=4 8910 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_200000755665_100000189650 [1,1,0,0,0,0|2,0,0]=4 8911 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [1,1,0,0,0,0|2,0,0]=4 8912 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [1,1,0,0,0,0|2,0,0]=4 8913 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [1,1,0,0,0,0|2,0,0]=4 8914 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000189650_100000210312 [1,1,0,0,0,0|2,0,0]=4 8915 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000210312_100000189650 [1,1,0,0,0,0|2,0,0]=4 8916 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100000189650_100012276601 [1,1,0,0,0,0|2,0,0]=4 8917 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100012276601_100000189650 [1,1,0,0,0,0|2,0,0]=4 8918 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [1,1,0,0,0,0|2,0,0]=4 8919 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [1,1,0,0,0,0|2,0,0]=4 8920 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [1,1,0,0,0,0|2,0,0]=4 8921 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [1,1,0,0,0,0|2,0,0]=4 8922 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [1,1,0,0,0,0|2,0,0]=4 8923 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [1,1,0,0,0,0|2,0,0]=4 8924 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [1,1,0,0,0,0|2,0,0]=4 8925 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [1,1,0,0,0,0|2,0,0]=4 8926 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [1,1,0,0,0,0|2,0,0]=4 8927 B11R0.30 CC(=O)OCCCNCC(C)O 34a_100000210904_100000042594 [1,1,0,0,0,0|2,0,0]=4 8928 B11R0.30 CC(=O)OCCCOCC(C)Br 34a_100012180447_100000042594 [1,1,0,0,0,0|2,0,0]=4 8929 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [1,1,0,0,0,0|2,0,0]=4 8930 B11R0.30 CC(=O)OCCCOCC(C)F 34a_100015925927_100000042594 [1,1,0,0,0,0|2,0,0]=4 8931 B11R0.30 CC(=O)OCCCOC[C@@H](C)Cl 34a_100016084084_100000042594 [1,1,0,0,0,0|2,0,0]=4 8932 B11R0.30 CC(=O)OCCCOC[C@@H](C)N 34a_100000737577_100000042594 [1,1,0,0,0,0|2,0,0]=4 8933 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [1,1,0,0,0,0|2,0,0]=4 8934 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [1,1,0,0,0,0|2,0,0]=4 8935 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100000042594_100011218427 [1,1,0,0,0,0|2,0,0]=4 8936 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100011218427_100000042594 [1,1,0,0,0,0|2,0,0]=4 8937 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100000042594_100009817552 [1,1,0,0,0,0|2,0,0]=4 8938 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100009817552_100000042594 [1,1,0,0,0,0|2,0,0]=4 8939 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [1,1,0,0,0,0|2,0,0]=4 8940 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [1,1,0,0,0,0|2,0,0]=4 8941 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [1,1,0,0,0,0|2,0,0]=4 8942 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [1,1,0,0,0,0|2,0,0]=4 8943 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [1,1,0,0,0,0|2,0,0]=4 8944 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [1,1,0,0,0,0|2,0,0]=4 8945 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [1,1,0,0,0,0|2,0,0]=4 8946 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [1,1,0,0,0,0|2,0,0]=4 8947 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [1,1,0,0,0,0|2,0,0]=4 8948 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [1,1,0,0,0,0|2,0,0]=4 8949 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [1,1,0,0,0,0|2,0,0]=4 8950 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [1,1,0,0,0,0|2,0,0]=4 8951 B11R0.30 CC(=O)OCSCCCC(C)O 62a_100000076356_200000718107 [1,1,0,0,0,0|2,0,0]=4 8952 B11R0.30 CC(=O)OCSCCCC(C)O 62a_200000718107_100000076356 [1,1,0,0,0,0|2,0,0]=4 8953 B11R0.30 CC(=O)SCCCCNC(C)C 2230a_100138425928_200010402107 [1,1,0,0,0,0|2,0,0]=4 8954 B11R0.30 CC(=O)SCCCCNC(C)C 34a_100138425928_200010402107 [1,1,0,0,0,0|2,0,0]=4 8955 B11R0.30 CC(=O)SCCCCOC(C)C 34a_100000212225_200010402107 [1,1,0,0,0,0|2,0,0]=4 8956 B11R0.30 CC(=O)SCCCCSC(C)C 62a_100000210206_200010402107 [1,1,0,0,0,0|2,0,0]=4 8957 B11R0.30 CC(=O)SCCCCSC(C)C 62a_200010402107_100000210206 [1,1,0,0,0,0|2,0,0]=4 8958 B11R0.30 CC(=O)SCCCNCC(C)C 2230a_100000210953_100000038929 [1,1,0,0,0,0|2,0,0]=4 8959 B11R0.30 CC(=O)SCCCNCC(C)C 34a_100000210953_100000038929 [1,1,0,0,0,0|2,0,0]=4 8960 B11R0.30 CC(=O)SCCCNCC(C)O 2230a_100000210904_100000038929 [1,1,0,0,0,0|2,0,0]=4 8961 B11R0.30 CC(=O)SCCCNCC(C)O 34a_100000210904_100000038929 [1,1,0,0,0,0|2,0,0]=4 8962 B11R0.30 CC(=O)SCCCOCC(C)Br 34a_100012180447_100000038929 [1,1,0,0,0,0|2,0,0]=4 8963 B11R0.30 CC(=O)SCCCOCC(C)C 34a_100000210257_100000038929 [1,1,0,0,0,0|2,0,0]=4 8964 B11R0.30 CC(=O)SCCCOCC(C)F 34a_100015925927_100000038929 [1,1,0,0,0,0|2,0,0]=4 8965 B11R0.30 CC(=O)SCCCOC[C@@H](C)Cl 34a_100016084084_100000038929 [1,1,0,0,0,0|2,0,0]=4 8966 B11R0.30 CC(=O)SCCCOC[C@@H](C)N 34a_100000737577_100000038929 [1,1,0,0,0,0|2,0,0]=4 8967 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000038929_100000210760 [1,1,0,0,0,0|2,0,0]=4 8968 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000210624_100000038929 [1,1,0,0,0,0|2,0,0]=4 8969 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100000038929_100011218427 [1,1,0,0,0,0|2,0,0]=4 8970 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100011218427_100000038929 [1,1,0,0,0,0|2,0,0]=4 8971 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100000038929_100009817552 [1,1,0,0,0,0|2,0,0]=4 8972 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100009817552_100000038929 [1,1,0,0,0,0|2,0,0]=4 8973 B11R0.30 CC(=O)SCCNCCC(C)C 269862a_100020647217_100000185833 [1,1,0,0,0,0|2,0,0]=4 8974 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [1,1,0,0,0,0|2,0,0]=4 8975 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [1,1,0,0,0,0|0,0,2]=4 8976 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,1,0,0,0,0|0,0,0]=2 8977 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [1,1,0,0,0,0|2,0,0]=4 8978 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,1,0,0,0,0|1,0,0]=3 8979 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [1,1,0,0,0,0|2,0,0]=4 8980 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [1,1,0,0,0,0|2,0,0]=4 8981 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [1,1,0,0,0,0|1,0,1]=4 8982 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [1,1,0,0,0,0|2,0,0]=4 8983 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [1,1,0,0,0,0|2,0,0]=4 8984 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [1,1,0,0,0,0|1,0,1]=4 8985 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [1,1,0,0,0,0|1,0,1]=4 8986 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [1,1,0,0,0,0|2,0,0]=4 8987 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [1,1,0,0,0,0|2,0,0]=4 8988 B11R0.30 CC(C)CCCNOCC(=O)O 269956a_100000106656_100011214892 [1,1,0,0,0,0|2,0,0]=4 8989 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [1,1,0,0,0,0|2,0,0]=4 8990 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [1,1,0,0,0,0|2,0,0]=4 8991 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [1,1,0,0,0,0|2,0,0]=4 8992 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [1,1,0,0,0,0|2,0,0]=4 8993 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [1,1,0,0,0,0|2,0,0]=4 8994 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [1,1,0,0,0,0|2,0,0]=4 8995 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [1,1,0,0,0,0|2,0,0]=4 8996 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [1,1,0,0,0,0|2,0,0]=4 8997 B11R0.30 CC(C)CCNCCCS(=O)C 2230a_200000753449_100000210312 [1,1,0,0,0,0|2,0,0]=4 8998 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [1,1,0,0,0,0|2,0,0]=4 8999 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [1,1,0,0,0,0|2,0,0]=4 9000 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [1,1,0,0,0,0|2,0,0]=4 9001 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [1,1,0,0,0,0|2,0,0]=4 9002 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [1,1,0,0,0,0|2,0,0]=4 9003 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [1,1,0,0,0,0|2,0,0]=4 9004 B11R0.30 CC(C)CNCCOCC(=O)O 269956a_100000700818_100000210760 [1,1,0,0,0,0|2,0,0]=4 9005 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [1,1,0,0,0,0|2,0,0]=4 9006 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [1,1,0,0,0,0|2,0,0]=4 9007 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [1,1,0,0,0,0|2,0,0]=4 9008 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [1,1,0,0,0,0|2,0,0]=4 9009 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [1,1,0,0,0,0|2,0,0]=4 9010 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [1,1,0,0,0,0|2,0,0]=4 9011 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [1,1,0,0,0,0|2,0,0]=4 9012 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [1,1,0,0,0,0|1,0,1]=4 9013 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [1,1,0,0,0,0|2,0,0]=4 9014 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [1,1,0,0,0,0|2,0,0]=4 9015 B11R0.30 CC(O)CCCNOCC(=O)O 269956a_100000106656_200000718107 [1,1,0,0,0,0|2,0,0]=4 9016 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [1,1,0,0,0,0|2,0,0]=4 9017 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [1,1,0,0,0,0|2,0,0]=4 9018 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [1,1,0,0,0,0|2,0,0]=4 9019 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [1,1,0,0,0,0|2,0,0]=4 9020 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [1,1,0,0,0,0|2,0,0]=4 9021 B11R0.30 CC(O)CCNCCCS(=O)C 2230a_200000753449_100012276601 [1,1,0,0,0,0|2,0,0]=4 9022 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [1,1,0,0,0,0|2,0,0]=4 9023 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [1,1,0,0,0,0|2,0,0]=4 9024 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [1,1,0,0,0,0|2,0,0]=4 9025 B11R0.30 CC(O)CNCCOCC(=O)O 269956a_100000700818_100011218427 [1,1,0,0,0,0|2,0,0]=4 9026 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [1,1,0,0,0,0|2,0,0]=4 9027 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [1,1,0,0,0,0|2,0,0]=4 9028 B11R0.30 CN(C)CCCCNCC(=O)O 269956a_100016091260_100000690147 [1,1,0,0,0,0|2,0,0]=4 9029 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [1,1,0,0,0,0|2,0,0]=4 9030 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [1,1,0,0,0,0|2,0,0]=4 9031 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100009817552 [1,1,0,0,0,0|2,0,0]=4 9032 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [1,1,0,0,0,0|2,0,0]=4 9033 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [1,1,0,0,0,0|2,0,0]=4 9034 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [1,1,0,0,0,0|1,0,1]=4 9035 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [1,1,0,0,0,0|2,0,0]=4 9036 B11R0.42 CC(=O)C(C)COCCCCF 34a_100000032740_100000729493 [1,1,0,0,0,0|2,0,0]=4 9037 B11R0.42 CC(=O)C(C)COCCCCF 7a_100000032740_100000729493 [1,1,0,0,0,0|2,0,0]=4 9038 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [1,1,0,0,0,0|2,0,0]=4 9039 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [1,1,0,0,0,0|2,0,0]=4 9040 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [1,1,0,0,0,0|2,0,0]=4 9041 B11R0.42 CC(=O)C(C)OCCCCCBr 7a_100000746331_100000179758 [1,1,0,0,0,0|2,0,0]=4 9042 B11R0.42 CC(=O)C(C)OCCCCCCl 7a_100000746330_100000179758 [1,1,0,0,0,0|2,0,0]=4 9043 B11R0.42 CC(=O)C(C)OCCCCCF 34a_100000212229_100000729378 [1,1,0,0,0,0|2,0,0]=4 9044 B11R0.42 CC(=O)C(C)OCCCCCI 7a_200012148887_100000179758 [1,1,0,0,0,0|2,0,0]=4 9045 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [1,1,0,0,0,0|2,0,0]=4 9046 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100000729378_100009814033 [1,1,0,0,0,0|2,0,0]=4 9047 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100009814033_100000729378 [1,1,0,0,0,0|2,0,0]=4 9048 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [1,1,0,0,0,0|2,0,0]=4 9049 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [1,1,0,0,0,0|2,0,0]=4 9050 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [1,1,0,0,0,0|2,0,0]=4 9051 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [1,1,0,0,0,0|2,0,0]=4 9052 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [1,1,0,0,0,0|0,0,0]=2 9053 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [1,1,0,0,0,0|2,0,0]=4 9054 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [1,1,0,0,0,0|2,0,0]=4 9055 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [1,1,0,0,0,0|2,0,0]=4 9056 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [1,1,0,0,0,0|1,0,0]=3 9057 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [1,1,0,0,0,0|1,0,0]=3 9058 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [1,1,0,0,0,0|1,0,0]=3 9059 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [1,1,0,0,0,0|1,0,0]=3 9060 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [1,1,0,0,0,0|1,0,0]=3 9061 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [1,1,0,0,0,0|2,0,0]=4 9062 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [1,1,0,0,0,0|2,0,0]=4 9063 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [1,1,0,0,0,0|1,0,0]=3 9064 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [1,1,0,0,0,0|2,0,0]=4 9065 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [1,1,0,0,0,0|2,0,0]=4 9066 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [1,1,0,0,0,0|1,0,0]=3 9067 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [1,1,0,0,0,0|1,0,0]=3 9068 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [1,1,0,0,0,0|2,0,0]=4 9069 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [1,1,0,0,0,0|2,0,0]=4 9070 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [1,1,0,0,0,0|2,0,0]=4 9071 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [1,1,0,0,0,0|2,0,0]=4 9072 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [1,1,0,0,0,0|1,0,1]=4 9073 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [1,1,0,0,0,0|1,0,1]=4 9074 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [1,1,0,0,0,0|2,0,0]=4 9075 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [1,1,0,0,0,0|2,0,0]=4 9076 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [1,1,0,0,0,0|1,0,0]=3 9077 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [1,1,0,0,0,0|1,0,0]=3 9078 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [1,1,0,0,0,0|2,0,0]=4 9079 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [1,1,0,0,0,0|2,0,0]=4 9080 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [1,1,0,0,0,0|2,0,0]=4 9081 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [1,1,0,0,0,0|2,0,0]=4 9082 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [1,1,0,0,0,0|1,0,1]=4 9083 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [1,1,0,0,0,0|1,0,1]=4 9084 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [1,1,0,0,0,0|1,0,0]=3 9085 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [1,1,0,0,0,0|1,0,0]=3 9086 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [1,1,0,0,0,0|1,0,1]=4 9087 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [1,1,0,0,0,0|1,0,0]=3 9088 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [1,1,0,0,0,0|1,0,0]=3 9089 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [1,1,0,0,0,0|2,0,0]=4 9090 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [1,1,0,0,0,0|1,0,1]=4 9091 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [1,1,0,0,0,0|1,0,1]=4 9092 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [1,1,0,0,0,0|2,0,0]=4 9093 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [1,1,0,0,0,0|2,0,0]=4 9094 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100009814033_100011995733 [1,1,0,0,0,0|2,0,0]=4 9095 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100011995733_100009814033 [1,1,0,0,0,0|2,0,0]=4 9096 B11R0.42 CCCOCCNC(C)C(=O)C 2230a_100161115042_100009814033 [1,1,0,0,0,0|2,0,0]=4 9097 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [1,1,0,0,0,0|2,0,0]=4 9098 B11R0.42 CCCOCCOC(C)C(=O)C 34a_100000212229_100011215938 [1,1,0,0,0,0|2,0,0]=4 9099 B11R0.42 CCCOCCOC(C)C(=O)C 7a_100000752267_100000179758 [1,1,0,0,0,0|2,0,0]=4 9100 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100009814033_100011215938 [1,1,0,0,0,0|2,0,0]=4 9101 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100011215938_100009814033 [1,1,0,0,0,0|2,0,0]=4 9102 B11R0.42 CCCSCCNC(C)C(=O)C 2230a_100020603323_100009814033 [1,1,0,0,0,0|2,0,0]=4 9103 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [1,1,0,0,0,0|2,0,0]=4 9104 B11R0.42 CCOCCCNC(C)C(=O)C 2230a_100000210961_100009814033 [1,1,0,0,0,0|2,0,0]=4 9105 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [1,1,0,0,0,0|2,0,0]=4 9106 B11R0.42 CCOCCCOC(C)C(=O)C 34a_100000212229_100012232248 [1,1,0,0,0,0|2,0,0]=4 9107 B11R0.42 CCOCCCOC(C)C(=O)C 7a_100000757476_100000179758 [1,1,0,0,0,0|2,0,0]=4 9108 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100009814033_100012232248 [1,1,0,0,0,0|2,0,0]=4 9109 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100012232248_100009814033 [1,1,0,0,0,0|2,0,0]=4 9110 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [1,1,0,0,0,0|2,0,0]=4 9111 B11R0.42 CCOCCNCC(F)C(=O)O 269956a_100000084737_100000210147 [1,1,0,0,0,0|2,0,0]=4 9112 B11R0.42 CCOCCOCC(C)C(=O)C 34a_100000032740_100000210147 [1,1,0,0,0,0|2,0,0]=4 9113 B11R0.42 CCOCCOCC(C)C(=O)C 7a_100000032740_100011215890 [1,1,0,0,0,0|2,0,0]=4 9114 B11R0.42 CCSCCCOC(C)C(=O)C 7a_100011216438_100000179758 [1,1,0,0,0,0|2,0,0]=4 9115 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [1,1,0,0,0,0|2,0,0]=4 9116 B11R0.42 CCSCCNCC(F)C(=O)O 269956a_100000084737_100000757381 [1,1,0,0,0,0|2,0,0]=4 9117 B11R0.42 CCSCCOCC(C)C(=O)C 34a_100000032740_100000757381 [1,1,0,0,0,0|2,0,0]=4 9118 B11R0.42 CCSCCOCC(C)C(=O)C 7a_100000032740_100000757381 [1,1,0,0,0,0|2,0,0]=4 9119 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [1,1,0,0,0,0|2,0,0]=4 9120 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [1,1,0,0,0,0|2,0,0]=4 9121 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [1,1,0,0,0,0|2,0,0]=4 9122 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [1,1,0,0,0,0|2,0,0]=4 9123 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [1,1,0,0,0,0|2,0,0]=4 9124 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [1,1,0,0,0,0|2,0,0]=4 9125 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [1,1,0,0,0,0|2,0,0]=4 9126 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [1,1,0,0,0,0|2,0,0]=4 9127 B11R0.42 CSCCCCOC(C)C(=O)C 7a_100011217163_100000179758 [1,1,0,0,0,0|2,0,0]=4 9128 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [1,1,0,0,0,0|2,0,0]=4 9129 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [1,1,0,0,0,0|2,0,0]=4 9130 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [1,1,0,0,0,0|2,0,0]=4 9131 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [1,1,0,0,0,0|2,0,0]=4 9132 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [1,1,0,0,0,0|1,0,1]=4 9133 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [1,1,0,0,0,0|1,0,1]=4 9134 B11R0.46 C=C(C)CCC(C)NCCCC 270004a_100000102301_100011215600 [1,1,0,0,0,0|2,0,0]=4 9135 B11R0.46 C=C(C)CCN(C)CCCCC 2230a_100000223495_100000730704 [1,1,0,0,0,0|2,0,0]=4 9136 B11R0.46 C=C(C)CCN(C)CCCCC 269982a_100000223495_100000730704 [1,1,0,0,0,0|2,0,0]=4 9137 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [1,1,0,0,0,0|2,0,0]=4 9138 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [1,1,0,0,0,0|2,0,0]=4 9139 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [1,1,0,0,0,0|2,0,0]=4 9140 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [1,1,0,0,0,0|2,0,0]=4 9141 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [1,1,0,0,0,0|2,0,0]=4 9142 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [1,1,0,0,0,0|2,0,0]=4 9143 B11R0.46 CC(=O)CCN(C)CCCCO 269982a_100000717598_100000053229 [1,1,0,0,0,0|2,0,0]=4 9144 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [1,1,0,0,0,0|1,0,1]=4 9145 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [1,1,0,0,0,0|1,0,1]=4 9146 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [1,1,0,0,0,0|1,0,1]=4 9147 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [1,1,0,0,0,0|1,0,1]=4 9148 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,1,0,0,0,0|0,0,0]=2 9149 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,1,0,0,0,0|0,0,0]=2 9150 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [1,1,0,0,0,0|2,0,0]=4 9151 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [1,1,0,0,0,0|2,0,0]=4 9152 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,1,0,0,0,0|1,0,0]=3 9153 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [1,1,0,0,0,0|1,0,0]=3 9154 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [1,1,0,0,0,0|2,0,0]=4 9155 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [1,1,0,0,0,0|2,0,0]=4 9156 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [1,1,0,0,0,0|1,0,1]=4 9157 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [1,1,0,0,0,0|2,0,0]=4 9158 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [1,1,0,0,0,0|2,0,0]=4 9159 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [1,1,0,0,0,0|1,0,1]=4 9160 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [1,1,0,0,0,0|1,0,1]=4 9161 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [1,1,0,0,0,0|1,0,0]=3 9162 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [1,1,0,0,0,0|1,0,0]=3 9163 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [1,1,0,0,0,0|2,0,0]=4 9164 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [1,1,0,0,0,0|2,0,0]=4 9165 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [1,1,0,0,0,0|2,0,0]=4 9166 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [1,1,0,0,0,0|1,0,0]=3 9167 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [1,1,0,0,0,0|2,0,0]=4 9168 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [1,1,0,0,0,0|2,0,0]=4 9169 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [1,1,0,0,0,0|2,0,0]=4 9170 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [1,1,0,0,0,0|2,0,0]=4 9171 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [1,1,0,0,0,0|2,0,0]=4 9172 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [1,1,0,0,0,0|2,0,0]=4 9173 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [1,1,0,0,0,0|2,0,0]=4 9174 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [1,1,0,0,0,0|2,0,0]=4 9175 B11R0.46 COCCCN(C)CCC(=O)C 269982a_100000224831_100000053229 [1,1,0,0,0,0|2,0,0]=4 9176 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [1,1,0,0,0,0|0,0,2]=4 9177 B11R0.111 C=C(C)CCNCCC(C)CC 2230a_100020591266_100000730704 [1,1,0,0,0,0|2,0,0]=4 9178 B11R0.111 C=C(C)CCOCCC(C)CC 7a_100011215188_100000730704 [1,1,0,0,0,0|2,0,0]=4 9179 B11R0.111 C=C(C)COCCCC(C)CC 7a_100011216074_100000748629 [1,1,0,0,0,0|2,0,0]=4 9180 B11R0.111 CC(=O)CCCCOC(C)CF 34a_100016041109_100009817362 [1,1,0,0,0,0|2,0,0]=4 9181 B11R0.111 CC(=O)CCCCOC(C)CF 7a_100016041109_100000735457 [1,1,0,0,0,0|2,0,0]=4 9182 B11R0.111 CC(=O)CCCCOC(C)CN 34a_100000210904_100009817362 [1,1,0,0,0,0|2,0,0]=4 9183 B11R0.111 CC(=O)CCCCSC(C)CO 62a_100012180447_100000735457 [1,1,0,0,0,0|2,0,0]=4 9184 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100000735457_100016084084 [1,1,0,0,0,0|2,0,0]=4 9185 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000735457 [1,1,0,0,0,0|2,0,0]=4 9186 B11R0.111 CC(=O)CCCNCC(C)CO 34a_100000744482_100000685027 [1,1,0,0,0,0|2,0,0]=4 9187 B11R0.111 CC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000685027 [1,1,0,0,0,0|2,0,0]=4 9188 B11R0.111 CC(=O)CCCOCC(C)CN 34a_100000744482_100000685027 [1,1,0,0,0,0|2,0,0]=4 9189 B11R0.111 CC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000685027 [1,1,0,0,0,0|2,0,0]=4 9190 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [1,1,0,0,0,0|2,0,0]=4 9191 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [1,1,0,0,0,0|2,0,0]=4 9192 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [1,1,0,0,0,0|2,0,0]=4 9193 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [1,1,0,0,0,0|2,0,0]=4 9194 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [1,1,0,0,0,0|2,0,0]=4 9195 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [1,1,0,0,0,0|2,0,0]=4 9196 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [1,1,0,0,0,0|2,0,0]=4 9197 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [1,1,0,0,0,0|2,0,0]=4 9198 B11R0.111 CC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000685027 [1,1,0,0,0,0|2,0,0]=4 9199 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011215641_100011219619 [1,1,0,0,0,0|2,0,0]=4 9200 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011219619_100011215641 [1,1,0,0,0,0|2,0,0]=4 9201 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011215641 [1,1,0,0,0,0|2,0,0]=4 9202 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100011215641_100000059175 [1,1,0,0,0,0|2,0,0]=4 9203 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100011215641_100015614560 [1,1,0,0,0,0|2,0,0]=4 9204 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011215641 [1,1,0,0,0,0|2,0,0]=4 9205 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011215641 [1,1,0,0,0,0|2,0,0]=4 9206 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100011215641_100009815848 [1,1,0,0,0,0|2,0,0]=4 9207 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [1,1,0,0,0,0|1,0,1]=4 9208 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [1,1,0,0,0,0|1,0,1]=4 9209 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [1,1,0,0,0,0|1,0,1]=4 9210 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [1,1,0,0,0,0|1,0,1]=4 9211 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [1,1,0,0,0,0|1,0,1]=4 9212 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [1,1,0,0,0,0|1,0,1]=4 9213 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [1,1,0,0,0,0|1,0,1]=4 9214 B11R0.111 CCC(C)CCCOCC(=O)N 7a_100011216074_100000187820 [1,1,0,0,0,0|2,0,0]=4 9215 B11R0.111 CCC(C)CCNCCC(=O)N 2230a_100020591266_100000744528 [1,1,0,0,0,0|2,0,0]=4 9216 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [1,1,0,0,0,0|1,0,0]=3 9217 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [1,1,0,0,0,0|2,0,0]=4 9218 B11R0.111 CCC(C)CNCCCC(=O)N 34a_100000739312_100000748023 [1,1,0,0,0,0|2,0,0]=4 9219 B11R0.111 CCC(C)CNCCCS(=O)C 2230a_200000753449_100000748023 [1,1,0,0,0,0|2,0,0]=4 9220 B11R0.111 CCC(C)CNCCCS(=O)C 270004a_200000753449_100000243153 [1,1,0,0,0,0|2,0,0]=4 9221 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100000209853_100000748023 [1,1,0,0,0,0|2,0,0]=4 9222 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100020588543_100000189650 [1,1,0,0,0,0|2,0,0]=4 9223 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [1,1,0,0,0,0|1,0,0]=3 9224 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [1,1,0,0,0,0|1,0,0]=3 9225 B11R0.111 CCC(C)COCCNC(=O)C 34a_100000158858_100000748023 [1,1,0,0,0,0|2,0,0]=4 9226 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [1,1,0,0,0,0|1,0,0]=3 9227 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [1,1,0,0,0,0|1,0,0]=3 9228 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100000748023_100102525003 [1,1,0,0,0,0|2,0,0]=4 9229 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100102525003_100000748023 [1,1,0,0,0,0|2,0,0]=4 9230 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000189650_100000748023 [1,1,0,0,0,0|2,0,0]=4 9231 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000748023_100000189650 [1,1,0,0,0,0|2,0,0]=4 9232 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100000748023_100009814007 [1,1,0,0,0,0|2,0,0]=4 9233 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100009814007_100000748023 [1,1,0,0,0,0|2,0,0]=4 9234 B11R0.111 CCC(C)NCCCCC(=O)N 34a_100000696515_100011215416 [1,1,0,0,0,0|2,0,0]=4 9235 B11R0.111 CCC(C)NCCCNC(=O)C 34a_100000736810_100011215416 [1,1,0,0,0,0|2,0,0]=4 9236 B11R0.111 CCC(C)NCCCSC(=O)C 2230a_100000209981_100000038929 [1,1,0,0,0,0|2,0,0]=4 9237 B11R0.111 CCC(C)NCCOCC(=O)O 269956a_100000700818_100000758301 [1,1,0,0,0,0|2,0,0]=4 9238 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [1,1,0,0,0,0|1,0,0]=3 9239 B11R0.111 CCC(C)OCCCCC(=O)N 34a_100012022536_100011215416 [1,1,0,0,0,0|2,0,0]=4 9240 B11R0.111 CCC(C)OCCCCC(=O)N 7a_100012022536_100000758301 [1,1,0,0,0,0|2,0,0]=4 9241 B11R0.111 CCC(C)OCCCNC(=O)C 34a_100000752032_100011215416 [1,1,0,0,0,0|2,0,0]=4 9242 B11R0.111 CCC(C)OCCCOC(=O)C 7a_100000210228_100000042594 [1,1,0,0,0,0|2,0,0]=4 9243 B11R0.111 CCC(C)OCCCSC(=O)C 7a_100000210228_100000038929 [1,1,0,0,0,0|2,0,0]=4 9244 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [1,1,0,0,0,0|1,0,0]=3 9245 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [1,1,0,0,0,0|1,0,0]=3 9246 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000042594_100000758301 [1,1,0,0,0,0|2,0,0]=4 9247 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000758301_100000042594 [1,1,0,0,0,0|2,0,0]=4 9248 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000038929_100000758301 [1,1,0,0,0,0|2,0,0]=4 9249 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000758301_100000038929 [1,1,0,0,0,0|2,0,0]=4 9250 B11R0.111 CCC(O)CNCCCC(=O)N 34a_100000739312_100011218378 [1,1,0,0,0,0|2,0,0]=4 9251 B11R0.111 CCC(O)CNCCCS(=O)C 2230a_200000753449_100011218378 [1,1,0,0,0,0|2,0,0]=4 9252 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100000209853_100011218378 [1,1,0,0,0,0|2,0,0]=4 9253 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100011218483_100000189650 [1,1,0,0,0,0|2,0,0]=4 9254 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [1,1,0,0,0,0|1,0,0]=3 9255 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [1,1,0,0,0,0|1,0,0]=3 9256 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [1,1,0,0,0,0|2,0,0]=4 9257 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [1,1,0,0,0,0|1,0,0]=3 9258 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [1,1,0,0,0,0|1,0,0]=3 9259 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100011218378_100102525003 [1,1,0,0,0,0|2,0,0]=4 9260 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100102525003_100011218378 [1,1,0,0,0,0|2,0,0]=4 9261 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100000189650_100011218378 [1,1,0,0,0,0|2,0,0]=4 9262 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100011218378_100000189650 [1,1,0,0,0,0|2,0,0]=4 9263 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100009814007_100011218378 [1,1,0,0,0,0|2,0,0]=4 9264 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100011218378_100009814007 [1,1,0,0,0,0|2,0,0]=4 9265 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [1,1,0,0,0,0|2,0,0]=4 9266 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [1,1,0,0,0,0|2,0,0]=4 9267 B11R0.111 CCN(C)CCCCOC(=O)C 269982a_100000225621_100000033659 [1,1,0,0,0,0|2,0,0]=4 9268 B11R0.111 CCN(C)CCCCSC(=O)C 2230a_100000225621_200010402107 [1,1,0,0,0,0|2,0,0]=4 9269 B11R0.111 CCN(C)CCCCSC(=O)C 269982a_100000225621_200010402107 [1,1,0,0,0,0|2,0,0]=4 9270 B11R0.111 CCN(C)CCCNCC(=O)O 269956a_100016091260_100015186262 [1,1,0,0,0,0|2,0,0]=4 9271 B11R0.111 CC[C@H](C)CNCCCC(=O)N 34a_100000739312_100009816398 [1,1,0,0,0,0|2,0,0]=4 9272 B11R0.111 CC[C@H](C)CNCCCS(=O)C 2230a_200000753449_100009816398 [1,1,0,0,0,0|2,0,0]=4 9273 B11R0.111 CC[C@H](C)CNCCNC(=O)C 2230a_100000209853_100009816398 [1,1,0,0,0,0|2,0,0]=4 9274 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [1,1,0,0,0,0|1,0,0]=3 9275 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [1,1,0,0,0,0|1,0,0]=3 9276 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [1,1,0,0,0,0|1,0,0]=3 9277 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [1,1,0,0,0,0|2,0,0]=4 9278 B11R0.111 CC[C@H](C)COCCNC(=O)C 34a_100000158858_100009816398 [1,1,0,0,0,0|2,0,0]=4 9279 B11R0.111 CC[C@H](C)COCCNC(=O)C 7a_100009816381_100000189650 [1,1,0,0,0,0|2,0,0]=4 9280 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [1,1,0,0,0,0|2,0,0]=4 9281 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [1,1,0,0,0,0|1,0,0]=3 9282 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [1,1,0,0,0,0|1,0,0]=3 9283 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100009816398_100102525003 [1,1,0,0,0,0|2,0,0]=4 9284 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100102525003_100009816398 [1,1,0,0,0,0|2,0,0]=4 9285 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100000189650_100009816398 [1,1,0,0,0,0|2,0,0]=4 9286 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100009816398_100000189650 [1,1,0,0,0,0|2,0,0]=4 9287 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009814007_100009816398 [1,1,0,0,0,0|2,0,0]=4 9288 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009816398_100009814007 [1,1,0,0,0,0|2,0,0]=4 9289 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [1,1,0,0,0,0|1,0,1]=4 9290 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [1,1,0,0,0,0|1,0,1]=4 9291 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [1,1,0,0,0,0|1,0,1]=4 9292 B11R0.111 COC(C)CCOCCC(=O)C 7a_100000764861_100000053229 [1,1,0,0,0,0|2,0,0]=4 9293 B11R0.111 COC(C)COCCCC(=O)C 34a_100000690652_100000685027 [1,1,0,0,0,0|2,0,0]=4 9294 B11R0.111 COC(C)SCCCCC(=O)C 62a_100000735457_100009879195 [1,1,0,0,0,0|2,0,0]=4 9295 B11R0.111 COC(C)SCCCCC(=O)C 62a_100009879195_100000735457 [1,1,0,0,0,0|2,0,0]=4 9296 B11R0.147 C=C(C)CCNC(C)CCCC 2230a_100000126638_100000730704 [1,1,0,0,0,0|2,0,0]=4 9297 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000687866_100000730704 [1,1,0,0,0,0|2,0,0]=4 9298 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000764851_200011215066 [1,1,0,0,0,0|2,0,0]=4 9299 B11R0.147 C=C(C)CCOC(C)CCCC 7a_100000687866_100000730704 [1,1,0,0,0,0|2,0,0]=4 9300 B11R0.147 C=C(C)CCSC(C)CCCC 62a_100000730704_200011215066 [1,1,0,0,0,0|2,0,0]=4 9301 B11R0.147 C=C(C)CCSC(C)CCCC 62a_200011215066_100000730704 [1,1,0,0,0,0|2,0,0]=4 9302 B11R0.147 C=C(C)COCC(C)CCCC 34a_100011995851_100000748629 [1,1,0,0,0,0|2,0,0]=4 9303 B11R0.147 C=C(C)COCC(C)CCCC 7a_100011995851_100000748629 [1,1,0,0,0,0|2,0,0]=4 9304 B11R0.147 C=C(C)COC[C@@H](N)CCCC 34a_100011934283_100000748629 [1,1,0,0,0,0|2,0,0]=4 9305 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [1,1,0,0,0,0|2,0,0]=4 9306 B11R0.147 CC(=O)CCOC(C)CCCCl 7a_200000718107_100000053229 [1,1,0,0,0,0|2,0,0]=4 9307 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [1,1,0,0,0,0|0,0,1]=3 9308 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [1,1,0,0,0,0|1,0,1]=4 9309 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [1,1,0,0,0,0|1,0,1]=4 9310 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [1,1,0,0,0,0|1,0,1]=4 9311 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [1,1,0,0,0,0|1,0,1]=4 9312 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [1,1,0,0,0,0|1,0,1]=4 9313 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [1,1,0,0,0,0|2,0,0]=4 9314 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [1,1,0,0,0,0|2,0,0]=4 9315 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [1,1,0,0,0,0|1,0,1]=4 9316 B11R0.147 CCCCC(C)NCCC(=O)N 2230a_100000126638_100000744528 [1,1,0,0,0,0|2,0,0]=4 9317 B11R0.147 CCCCC(C)NOCC(=O)O 269956a_100000106656_200011215066 [1,1,0,0,0,0|2,0,0]=4 9318 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [1,1,0,0,0,0|1,0,0]=3 9319 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [1,1,0,0,0,0|1,0,0]=3 9320 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [1,1,0,0,0,0|1,0,0]=3 9321 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [1,1,0,0,0,0|2,0,0]=4 9322 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [1,1,0,0,0,0|2,0,0]=4 9323 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [1,1,0,0,0,0|2,0,0]=4 9324 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [1,1,0,0,0,0|2,0,0]=4 9325 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [1,1,0,0,0,0|2,0,0]=4 9326 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [1,1,0,0,0,0|1,0,0]=3 9327 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [1,1,0,0,0,0|1,0,0]=3 9328 B11R0.147 CCCCC(C)SCCC(=O)N 62a_100000744528_200011215066 [1,1,0,0,0,0|2,0,0]=4 9329 B11R0.147 CCCCC(C)SCCC(=O)N 62a_200011215066_100000744528 [1,1,0,0,0,0|2,0,0]=4 9330 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [1,1,0,0,0,0|2,0,0]=4 9331 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [1,1,0,0,0,0|2,0,0]=4 9332 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [1,1,0,0,0,0|1,0,0]=3 9333 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [1,1,0,0,0,0|2,0,0]=4 9334 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [1,1,0,0,0,0|1,0,0]=3 9335 B11R0.147 CCCCN(C)CCNC(=O)C 1626a_200000754967_100015343762 [1,1,0,0,0,0|2,0,0]=4 9336 B11R0.147 CCCCN(C)CCNC(=O)C 2230a_100000207549_100000189650 [1,1,0,0,0,0|2,0,0]=4 9337 B11R0.147 CCCCN(C)CCNC(=O)C 240690a_200000754967_100015343762 [1,1,0,0,0,0|2,0,0]=4 9338 B11R0.147 CCCCN(C)CCNC(=O)C 269982a_100000207549_100000189650 [1,1,0,0,0,0|2,0,0]=4 9339 B11R0.147 CCCCN(C)CCNC(=O)C 527a_200000754967_100103153847 [1,1,0,0,0,0|2,0,0]=4 9340 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [1,1,0,0,0,0|2,0,0]=4 9341 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [1,1,0,0,0,0|2,0,0]=4 9342 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [1,1,0,0,0,0|1,0,1]=4 9343 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [1,1,0,0,0,0|1,0,1]=4 9344 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [1,1,0,0,0,0|1,0,1]=4 9345 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [1,1,0,0,0,0|1,0,1]=4 9346 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [1,1,0,0,0,0|1,0,1]=4 9347 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [1,1,0,0,0,0|1,0,1]=4 9348 B11R0.147 CCOCC(C)OCCC(=O)C 7a_100000718985_100000053229 [1,1,0,0,0,0|2,0,0]=4 9349 B11R0.147 CCOCN(C)CCCC(=O)O 269956a_100000719178_100000739092 [1,1,0,0,0,0|2,0,0]=4 9350 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [1,1,0,0,0,0|1,0,1]=4 9351 B11R0.147 CN(CCCF)CCCC(=O)O 269956a_100000719178_100011934791 [1,1,0,0,0,0|2,0,0]=4 9352 B11R0.147 CN(CCCO)CCCC(=O)O 269956a_100000719178_100011215043 [1,1,0,0,0,0|2,0,0]=4 9353 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [1,1,0,0,0,0|1,0,1]=4 9354 B11R0.147 COCCN(C)CCCC(=O)C 269982a_100000743101_100011215641 [1,1,0,0,0,0|2,0,0]=4 9355 B11R0.147 COCCN(C)CCCC(=O)O 269956a_100000719178_100000233755 [1,1,0,0,0,0|2,0,0]=4 9356 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [1,1,0,0,0,0|1,0,1]=4 9357 B11R0.147 CSCCN(C)CCCC(=O)C 269982a_100000686725_100011215641 [1,1,0,0,0,0|2,0,0]=4 9358 B11R0.147 CSCCN(C)CCCC(=O)O 269956a_100000719178_100000212216 [1,1,0,0,0,0|2,0,0]=4 9359 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [1,1,0,0,0,0|0,0,1]=3 9360 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [1,1,0,0,0,0|0,0,1]=3 9361 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [1,1,0,0,0,0|0,0,1]=3 9362 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [1,1,0,0,0,0|0,0,2]=4 9363 B11R0.148 C#CCCCCCOCC(=O)C 34a_100000211253_100012094781 [1,1,0,0,0,0|0,0,2]=4 9364 B11R0.148 C#CCCCCOCCC(=O)C 34a_100000759926_100010269958 [1,1,0,0,0,0|0,0,2]=4 9365 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000759926_100010269958 [1,1,0,0,0,0|0,0,2]=4 9366 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000766709_100000053229 [1,1,0,0,0,0|0,0,2]=4 9367 B11R0.148 C#CCCCCSCCC(=O)C 62a_100000053229_100010269958 [1,1,0,0,0,0|0,0,2]=4 9368 B11R0.148 C#CCCCCSCCC(=O)C 62a_100010269958_100000053229 [1,1,0,0,0,0|0,0,2]=4 9369 B11R0.148 C#CCCCNCCCC(=O)C 34a_100000718082_100000685027 [1,1,0,0,0,0|0,0,2]=4 9370 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [1,1,0,0,0,0|0,0,2]=4 9371 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [1,1,0,0,0,0|0,0,2]=4 9372 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [1,1,0,0,0,0|0,0,2]=4 9373 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [1,1,0,0,0,0|0,0,2]=4 9374 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215417_100011215641 [1,1,0,0,0,0|0,0,2]=4 9375 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215641_100011215417 [1,1,0,0,0,0|0,0,2]=4 9376 B11R0.148 C#CCCNCCCCC(=O)C 34a_100000755551_100009817362 [1,1,0,0,0,0|0,0,2]=4 9377 B11R0.148 C#CCCOCCCCC(=O)C 34a_100011215631_100009817362 [1,1,0,0,0,0|0,0,2]=4 9378 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000688953_100000735457 [1,1,0,0,0,0|0,0,2]=4 9379 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000735457_100000688953 [1,1,0,0,0,0|0,0,2]=4 9380 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [1,1,0,0,0,0|0,0,2]=4 9381 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [1,1,0,0,0,0|0,0,2]=4 9382 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [1,1,0,0,0,0|0,0,2]=4 9383 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [1,1,0,0,0,0|0,0,2]=4 9384 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [1,1,0,0,0,0|1,0,1]=4 9385 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [1,1,0,0,0,0|1,0,0]=3 9386 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [1,1,0,0,0,0|2,0,0]=4 9387 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [1,1,0,0,0,0|2,0,0]=4 9388 B11R0.148 C=C(C)CCNCCCOCC 2230a_100000210961_100000730704 [1,1,0,0,0,0|2,0,0]=4 9389 B11R0.148 C=C(C)CCNCCCOCC 34a_100000210961_100000730704 [1,1,0,0,0,0|2,0,0]=4 9390 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [1,1,0,0,0,0|2,0,0]=4 9391 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [1,1,0,0,0,0|2,0,0]=4 9392 B11R0.148 C=C(C)CCNCCSCCC 2230a_100020603323_100000730704 [1,1,0,0,0,0|2,0,0]=4 9393 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [1,1,0,0,0,0|2,0,0]=4 9394 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [1,1,0,0,0,0|2,0,0]=4 9395 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [1,1,0,0,0,0|1,0,0]=3 9396 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [1,1,0,0,0,0|1,0,0]=3 9397 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [1,1,0,0,0,0|1,0,0]=3 9398 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [1,1,0,0,0,0|2,0,0]=4 9399 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [1,1,0,0,0,0|2,0,0]=4 9400 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [1,1,0,0,0,0|2,0,0]=4 9401 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [1,1,0,0,0,0|2,0,0]=4 9402 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [1,1,0,0,0,0|2,0,0]=4 9403 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [1,1,0,0,0,0|2,0,0]=4 9404 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [1,1,0,0,0,0|2,0,0]=4 9405 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [1,1,0,0,0,0|2,0,0]=4 9406 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [1,1,0,0,0,0|2,0,0]=4 9407 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [1,1,0,0,0,0|2,0,0]=4 9408 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [1,1,0,0,0,0|2,0,0]=4 9409 B11R0.148 C=C(C)CCOCCCOCC 34a_100000757476_100000730704 [1,1,0,0,0,0|2,0,0]=4 9410 B11R0.148 C=C(C)CCOCCCOCC 34a_100000764851_100012232248 [1,1,0,0,0,0|2,0,0]=4 9411 B11R0.148 C=C(C)CCOCCCOCC 7a_100000757476_100000730704 [1,1,0,0,0,0|2,0,0]=4 9412 B11R0.148 C=C(C)CCOCCCSCC 34a_100011216438_100000730704 [1,1,0,0,0,0|2,0,0]=4 9413 B11R0.148 C=C(C)CCOCCCSCC 7a_100011216438_100000730704 [1,1,0,0,0,0|2,0,0]=4 9414 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [1,1,0,0,0,0|2,0,0]=4 9415 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [1,1,0,0,0,0|2,0,0]=4 9416 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [1,1,0,0,0,0|2,0,0]=4 9417 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [1,1,0,0,0,0|2,0,0]=4 9418 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [1,1,0,0,0,0|2,0,0]=4 9419 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [1,1,0,0,0,0|2,0,0]=4 9420 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [1,1,0,0,0,0|1,0,0]=3 9421 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [1,1,0,0,0,0|1,0,0]=3 9422 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [1,1,0,0,0,0|2,0,0]=4 9423 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [1,1,0,0,0,0|2,0,0]=4 9424 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [1,1,0,0,0,0|2,0,0]=4 9425 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [1,1,0,0,0,0|2,0,0]=4 9426 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [1,1,0,0,0,0|2,0,0]=4 9427 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [1,1,0,0,0,0|2,0,0]=4 9428 B11R0.148 C=C(C)CCSCCCOCC 62a_100000730704_100012232248 [1,1,0,0,0,0|2,0,0]=4 9429 B11R0.148 C=C(C)CCSCCCOCC 62a_100012232248_100000730704 [1,1,0,0,0,0|2,0,0]=4 9430 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [1,1,0,0,0,0|2,0,0]=4 9431 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [1,1,0,0,0,0|2,0,0]=4 9432 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [1,1,0,0,0,0|2,0,0]=4 9433 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [1,1,0,0,0,0|2,0,0]=4 9434 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [1,1,0,0,0,0|1,0,0]=3 9435 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [1,1,0,0,0,0|2,0,0]=4 9436 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [1,1,0,0,0,0|2,0,0]=4 9437 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [1,1,0,0,0,0|2,0,0]=4 9438 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [1,1,0,0,0,0|2,0,0]=4 9439 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [1,1,0,0,0,0|2,0,0]=4 9440 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [1,1,0,0,0,0|2,0,0]=4 9441 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [1,1,0,0,0,0|2,0,0]=4 9442 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [1,1,0,0,0,0|2,0,0]=4 9443 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [1,1,0,0,0,0|2,0,0]=4 9444 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [1,1,0,0,0,0|1,0,0]=3 9445 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [1,1,0,0,0,0|1,0,0]=3 9446 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [1,1,0,0,0,0|1,0,0]=3 9447 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [1,1,0,0,0,0|2,0,0]=4 9448 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [1,1,0,0,0,0|2,0,0]=4 9449 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [1,1,0,0,0,0|2,0,0]=4 9450 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [1,1,0,0,0,0|2,0,0]=4 9451 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [1,1,0,0,0,0|2,0,0]=4 9452 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [1,1,0,0,0,0|2,0,0]=4 9453 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [1,1,0,0,0,0|2,0,0]=4 9454 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [1,1,0,0,0,0|2,0,0]=4 9455 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [1,1,0,0,0,0|2,0,0]=4 9456 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [1,1,0,0,0,0|2,0,0]=4 9457 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [1,1,0,0,0,0|2,0,0]=4 9458 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [1,1,0,0,0,0|2,0,0]=4 9459 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [1,1,0,0,0,0|2,0,0]=4 9460 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [1,1,0,0,0,0|1,0,0]=3 9461 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [1,1,0,0,0,0|1,0,0]=3 9462 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [1,1,0,0,0,0|2,0,0]=4 9463 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [1,1,0,0,0,0|2,0,0]=4 9464 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [1,1,0,0,0,0|2,0,0]=4 9465 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [1,1,0,0,0,0|2,0,0]=4 9466 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [1,1,0,0,0,0|2,0,0]=4 9467 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [1,1,0,0,0,0|2,0,0]=4 9468 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [1,1,0,0,0,0|1,0,1]=4 9469 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [1,1,0,0,0,0|1,0,1]=4 9470 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [1,1,0,0,0,0|1,0,1]=4 9471 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [1,1,0,0,0,0|1,0,1]=4 9472 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [1,1,0,0,0,0|1,0,1]=4 9473 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [1,1,0,0,0,0|1,0,1]=4 9474 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [1,1,0,0,0,0|0,0,1]=3 9475 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [1,1,0,0,0,0|0,0,1]=3 9476 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [1,1,0,0,0,0|0,0,1]=3 9477 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [1,1,0,0,0,0|0,0,2]=4 9478 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [1,1,0,0,0,0|0,0,2]=4 9479 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [1,1,0,0,0,0|0,0,2]=4 9480 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [1,1,0,0,0,0|0,0,2]=4 9481 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [1,1,0,0,0,0|0,0,2]=4 9482 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [1,1,0,0,0,0|0,0,2]=4 9483 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [1,1,0,0,0,0|0,0,2]=4 9484 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [1,1,0,0,0,0|0,0,2]=4 9485 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [1,1,0,0,0,0|0,0,2]=4 9486 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [1,1,0,0,0,0|0,0,2]=4 9487 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [1,1,0,0,0,0|0,0,2]=4 9488 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [1,1,0,0,0,0|0,0,2]=4 9489 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [1,1,0,0,0,0|0,0,2]=4 9490 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [1,1,0,0,0,0|0,0,2]=4 9491 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [1,1,0,0,0,0|0,0,2]=4 9492 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [1,1,0,0,0,0|0,0,2]=4 9493 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [1,1,0,0,0,0|0,0,2]=4 9494 B11R0.148 CC#CCCOCCCC(=O)C 34a_100000750427_100000685027 [1,1,0,0,0,0|0,0,2]=4 9495 B11R0.148 CC#CCNCCCCC(=O)C 34a_100000685387_100009817362 [1,1,0,0,0,0|0,0,2]=4 9496 B11R0.148 CC#CCOCCCCC(=O)C 34a_100000761923_100009817362 [1,1,0,0,0,0|0,0,2]=4 9497 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000735457_100000748600 [1,1,0,0,0,0|0,0,2]=4 9498 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000748600_100000735457 [1,1,0,0,0,0|0,0,2]=4 9499 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,1,0,0,0,0|0,0,0]=2 9500 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [1,1,0,0,0,0|1,0,0]=3 9501 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [1,1,0,0,0,0|1,0,0]=3 9502 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [1,1,0,0,0,0|1,0,0]=3 9503 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [1,1,0,0,0,0|1,0,0]=3 9504 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [1,1,0,0,0,0|1,0,0]=3 9505 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [1,1,0,0,0,0|2,0,0]=4 9506 B11R0.148 CC(=O)CCCCSCCC#N 62a_100000735457_100011215226 [1,1,0,0,0,0|1,0,1]=4 9507 B11R0.148 CC(=O)CCCCSCCC#N 62a_100011215226_100000735457 [1,1,0,0,0,0|1,0,1]=4 9508 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [1,1,0,0,0,0|1,0,0]=3 9509 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [1,1,0,0,0,0|1,0,0]=3 9510 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [1,1,0,0,0,0|1,0,0]=3 9511 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [1,1,0,0,0,0|1,0,0]=3 9512 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [1,1,0,0,0,0|1,0,0]=3 9513 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [1,1,0,0,0,0|1,0,1]=4 9514 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [1,1,0,0,0,0|1,0,1]=4 9515 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [1,1,0,0,0,0|1,0,0]=3 9516 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [1,1,0,0,0,0|1,0,0]=3 9517 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [1,1,0,0,0,0|1,0,0]=3 9518 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [1,1,0,0,0,0|1,0,0]=3 9519 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [1,1,0,0,0,0|1,0,0]=3 9520 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [1,1,0,0,0,0|1,0,0]=3 9521 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [1,1,0,0,0,0|1,0,0]=3 9522 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [1,1,0,0,0,0|1,0,0]=3 9523 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [1,1,0,0,0,0|1,0,0]=3 9524 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [1,1,0,0,0,0|1,0,0]=3 9525 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [1,1,0,0,0,0|1,0,0]=3 9526 B11R0.148 CC(=O)CCCSCCCC#N 62a_100000687738_100011215641 [1,1,0,0,0,0|1,0,1]=4 9527 B11R0.148 CC(=O)CCCSCCCC#N 62a_100011215641_100000687738 [1,1,0,0,0,0|1,0,1]=4 9528 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [1,1,0,0,0,0|1,0,1]=4 9529 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [1,1,0,0,0,0|1,0,1]=4 9530 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [1,1,0,0,0,0|1,0,0]=3 9531 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [1,1,0,0,0,0|1,0,0]=3 9532 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [1,1,0,0,0,0|1,0,0]=3 9533 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [1,1,0,0,0,0|1,0,0]=3 9534 B11R0.148 CC(=O)CCOCCCCC#N 7a_100000759926_100000211819 [1,1,0,0,0,0|1,0,1]=4 9535 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [1,1,0,0,0,0|1,0,1]=4 9536 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [1,1,0,0,0,0|1,0,0]=3 9537 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [1,1,0,0,0,0|1,0,0]=3 9538 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [1,1,0,0,0,0|1,0,0]=3 9539 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [1,1,0,0,0,0|1,0,0]=3 9540 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [1,1,0,0,0,0|1,0,0]=3 9541 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [1,1,0,0,0,0|1,0,0]=3 9542 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [1,1,0,0,0,0|1,0,0]=3 9543 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [1,1,0,0,0,0|2,0,0]=4 9544 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [1,1,0,0,0,0|2,0,0]=4 9545 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [1,1,0,0,0,0|2,0,0]=4 9546 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [1,1,0,0,0,0|2,0,0]=4 9547 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [1,1,0,0,0,0|2,0,0]=4 9548 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [1,1,0,0,0,0|2,0,0]=4 9549 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [1,1,0,0,0,0|2,0,0]=4 9550 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [1,1,0,0,0,0|2,0,0]=4 9551 B11R0.148 CC(=O)CCSCCCCC#N 62a_100000053229_100000211819 [1,1,0,0,0,0|1,0,1]=4 9552 B11R0.148 CC(=O)CCSCCCCC#N 62a_100011219923_100000053229 [1,1,0,0,0,0|1,0,1]=4 9553 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [1,1,0,0,0,0|1,0,1]=4 9554 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [1,1,0,0,0,0|1,0,1]=4 9555 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [1,1,0,0,0,0|1,0,0]=3 9556 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [1,1,0,0,0,0|1,0,0]=3 9557 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [1,1,0,0,0,0|1,0,0]=3 9558 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [1,1,0,0,0,0|1,0,0]=3 9559 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [1,1,0,0,0,0|2,0,0]=4 9560 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [1,1,0,0,0,0|2,0,0]=4 9561 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [1,1,0,0,0,0|1,0,0]=3 9562 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [1,1,0,0,0,0|1,0,0]=3 9563 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,1,0,0,0,0|1,0,0]=3 9564 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [1,1,0,0,0,0|1,0,0]=3 9565 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [1,1,0,0,0,0|1,0,0]=3 9566 B11R0.148 CC(=O)NCCCCCNCF 34a_200012022750_100015361967 [1,1,0,0,0,0|2,0,0]=4 9567 B11R0.148 CC(=O)NCCCCNCCF 2230a_200011368371_100011217306 [1,1,0,0,0,0|2,0,0]=4 9568 B11R0.148 CC(=O)NCCCCNCCF 34a_200011368371_100011217306 [1,1,0,0,0,0|2,0,0]=4 9569 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [1,1,0,0,0,0|2,0,0]=4 9570 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [1,1,0,0,0,0|2,0,0]=4 9571 B11R0.148 CC(=O)NCCCNCCCF 34a_100000736810_100011934791 [1,1,0,0,0,0|2,0,0]=4 9572 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [1,1,0,0,0,0|2,0,0]=4 9573 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [1,1,0,0,0,0|2,0,0]=4 9574 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [1,1,0,0,0,0|2,0,0]=4 9575 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [1,1,0,0,0,0|2,0,0]=4 9576 B11R0.148 CC(=O)NCCNCCCCF 2230a_100000209853_100000729493 [1,1,0,0,0,0|2,0,0]=4 9577 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [1,1,0,0,0,0|2,0,0]=4 9578 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [1,1,0,0,0,0|2,0,0]=4 9579 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [1,1,0,0,0,0|2,0,0]=4 9580 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [1,1,0,0,0,0|2,0,0]=4 9581 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [1,1,0,0,0,0|2,0,0]=4 9582 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [1,1,0,0,0,0|2,0,0]=4 9583 B11R0.148 CC(=O)NCCSCCCCF 62a_100000189650_100000729493 [1,1,0,0,0,0|2,0,0]=4 9584 B11R0.148 CC(=O)NCCSCCCCF 62a_100000729493_100000189650 [1,1,0,0,0,0|2,0,0]=4 9585 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [1,1,0,0,0,0|2,0,0]=4 9586 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [1,1,0,0,0,0|2,0,0]=4 9587 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [1,1,0,0,0,0|2,0,0]=4 9588 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [1,1,0,0,0,0|2,0,0]=4 9589 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [1,1,0,0,0,0|2,0,0]=4 9590 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [1,1,0,0,0,0|2,0,0]=4 9591 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [1,1,0,0,0,0|2,0,0]=4 9592 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [1,1,0,0,0,0|2,0,0]=4 9593 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [1,1,0,0,0,0|2,0,0]=4 9594 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [1,1,0,0,0,0|2,0,0]=4 9595 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [1,1,0,0,0,0|2,0,0]=4 9596 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [1,1,0,0,0,0|2,0,0]=4 9597 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [1,1,0,0,0,0|2,0,0]=4 9598 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [1,1,0,0,0,0|2,0,0]=4 9599 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [1,1,0,0,0,0|2,0,0]=4 9600 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [1,1,0,0,0,0|2,0,0]=4 9601 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [1,1,0,0,0,0|2,0,0]=4 9602 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [1,1,0,0,0,0|2,0,0]=4 9603 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [1,1,0,0,0,0|2,0,0]=4 9604 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [1,1,0,0,0,0|2,0,0]=4 9605 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [1,1,0,0,0,0|2,0,0]=4 9606 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [1,1,0,0,0,0|2,0,0]=4 9607 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [1,1,0,0,0,0|2,0,0]=4 9608 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [1,1,0,0,0,0|2,0,0]=4 9609 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [1,1,0,0,0,0|2,0,0]=4 9610 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [1,1,0,0,0,0|2,0,0]=4 9611 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [1,1,0,0,0,0|2,0,0]=4 9612 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [1,1,0,0,0,0|2,0,0]=4 9613 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [1,1,0,0,0,0|2,0,0]=4 9614 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [1,1,0,0,0,0|2,0,0]=4 9615 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [1,1,0,0,0,0|2,0,0]=4 9616 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [1,1,0,0,0,0|2,0,0]=4 9617 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [1,1,0,0,0,0|2,0,0]=4 9618 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [1,1,0,0,0,0|2,0,0]=4 9619 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [1,1,0,0,0,0|2,0,0]=4 9620 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [1,1,0,0,0,0|2,0,0]=4 9621 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [1,1,0,0,0,0|2,0,0]=4 9622 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [1,1,0,0,0,0|2,0,0]=4 9623 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [1,1,0,0,0,0|2,0,0]=4 9624 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [1,1,0,0,0,0|2,0,0]=4 9625 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [1,1,0,0,0,0|2,0,0]=4 9626 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [1,1,0,0,0,0|2,0,0]=4 9627 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [1,1,0,0,0,0|2,0,0]=4 9628 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [1,1,0,0,0,0|2,0,0]=4 9629 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [1,1,0,0,0,0|2,0,0]=4 9630 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [1,1,0,0,0,0|2,0,0]=4 9631 B11R0.148 CC(=O)SCCCCNCCF 34a_100000724931_200010402107 [1,1,0,0,0,0|2,0,0]=4 9632 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [1,1,0,0,0,0|2,0,0]=4 9633 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [1,1,0,0,0,0|2,0,0]=4 9634 B11R0.148 CC(=O)SCCCCOCCBr 34a_100000211926_200010402107 [1,1,0,0,0,0|2,0,0]=4 9635 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [1,1,0,0,0,0|2,0,0]=4 9636 B11R0.148 CC(=O)SCCCCSCCF 62a_100011217306_200010402107 [1,1,0,0,0,0|2,0,0]=4 9637 B11R0.148 CC(=O)SCCCCSCCF 62a_200010402107_100011217306 [1,1,0,0,0,0|2,0,0]=4 9638 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [1,1,0,0,0,0|2,0,0]=4 9639 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [1,1,0,0,0,0|2,0,0]=4 9640 B11R0.148 CC(=O)SCCCNCCCF 2230a_100015189416_100000038929 [1,1,0,0,0,0|2,0,0]=4 9641 B11R0.148 CC(=O)SCCCNCCCF 34a_100015189416_100000038929 [1,1,0,0,0,0|2,0,0]=4 9642 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [1,1,0,0,0,0|2,0,0]=4 9643 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [1,1,0,0,0,0|2,0,0]=4 9644 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [1,1,0,0,0,0|2,0,0]=4 9645 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [1,1,0,0,0,0|2,0,0]=4 9646 B11R0.148 CC(=O)SCCCSCCCF 62a_100000038929_100011934791 [1,1,0,0,0,0|2,0,0]=4 9647 B11R0.148 CC(=O)SCCCSCCCF 62a_100011934791_100000038929 [1,1,0,0,0,0|2,0,0]=4 9648 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [1,1,0,0,0,0|2,0,0]=4 9649 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [1,1,0,0,0,0|2,0,0]=4 9650 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [1,1,0,0,0,0|1,0,1]=4 9651 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [1,1,0,0,0,0|1,0,1]=4 9652 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [1,1,0,0,0,0|0,0,2]=4 9653 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [1,1,0,0,0,0|0,0,2]=4 9654 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [1,1,0,0,0,0|0,0,2]=4 9655 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [1,1,0,0,0,0|0,0,2]=4 9656 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [1,1,0,0,0,0|0,0,2]=4 9657 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [1,1,0,0,0,0|0,0,2]=4 9658 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [1,1,0,0,0,0|0,0,2]=4 9659 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [1,1,0,0,0,0|0,0,2]=4 9660 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [1,1,0,0,0,0|0,0,2]=4 9661 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [1,1,0,0,0,0|0,0,2]=4 9662 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [1,1,0,0,0,0|0,0,2]=4 9663 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [1,1,0,0,0,0|0,0,2]=4 9664 B11R0.148 CCC#CCCOCCC(=O)C 7a_100000036655_100000053229 [1,1,0,0,0,0|0,0,2]=4 9665 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000032950_100000685027 [1,1,0,0,0,0|0,0,2]=4 9666 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000759063_100009813939 [1,1,0,0,0,0|0,0,2]=4 9667 B11R0.148 CCC#CCOCCCC(=O)C 7a_100000759063_100009813939 [1,1,0,0,0,0|0,0,2]=4 9668 B11R0.148 CCC#CCSCCCC(=O)C 62a_100009813939_100011215641 [1,1,0,0,0,0|0,0,2]=4 9669 B11R0.148 CCC#CCSCCCC(=O)C 62a_100011215641_100009813939 [1,1,0,0,0,0|0,0,2]=4 9670 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [1,1,0,0,0,0|0,0,2]=4 9671 B11R0.148 CCCC#CCOCCC(=O)C 7a_100000034806_100000053229 [1,1,0,0,0,0|0,0,2]=4 9672 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [1,1,0,0,0,0|0,0,1]=3 9673 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [1,1,0,0,0,0|0,0,1]=3 9674 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [1,1,0,0,0,0|0,0,1]=3 9675 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [1,1,0,0,0,0|0,0,1]=3 9676 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [1,1,0,0,0,0|0,0,1]=3 9677 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [1,1,0,0,0,0|1,0,1]=4 9678 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [1,1,0,0,0,0|0,0,1]=3 9679 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [1,1,0,0,0,0|0,0,1]=3 9680 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,1,0,0,0,0|0,0,0]=2 9681 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,1,0,0,0,0|0,0,0]=2 9682 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,1,0,0,0,0|0,0,0]=2 9683 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [1,1,0,0,0,0|2,0,0]=4 9684 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [1,1,0,0,0,0|2,0,0]=4 9685 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [1,1,0,0,0,0|2,0,0]=4 9686 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [1,1,0,0,0,0|2,0,0]=4 9687 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [1,1,0,0,0,0|2,0,0]=4 9688 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [1,1,0,0,0,0|2,0,0]=4 9689 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,1,0,0,0,0|0,0,0]=2 9690 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,1,0,0,0,0|0,0,0]=2 9691 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,1,0,0,0,0|0,0,0]=2 9692 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,1,0,0,0,0|0,0,0]=2 9693 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [1,1,0,0,0,0|1,0,1]=4 9694 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [1,1,0,0,0,0|1,0,1]=4 9695 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [1,1,0,0,0,0|1,0,1]=4 9696 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [1,1,0,0,0,0|1,0,1]=4 9697 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [1,1,0,0,0,0|1,0,1]=4 9698 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [1,1,0,0,0,0|1,0,1]=4 9699 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [1,1,0,0,0,0|1,0,1]=4 9700 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [1,1,0,0,0,0|1,0,1]=4 9701 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [1,1,0,0,0,0|1,0,1]=4 9702 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [1,1,0,0,0,0|1,0,0]=3 9703 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [1,1,0,0,0,0|1,0,0]=3 9704 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,1,0,0,0,0|0,0,0]=2 9705 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [1,1,0,0,0,0|1,0,1]=4 9706 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [1,1,0,0,0,0|1,0,1]=4 9707 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [1,1,0,0,0,0|1,0,1]=4 9708 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [1,1,0,0,0,0|1,0,1]=4 9709 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [1,1,0,0,0,0|0,0,2]=4 9710 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [1,1,0,0,0,0|0,0,2]=4 9711 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [1,1,0,0,0,0|0,0,2]=4 9712 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [1,1,0,0,0,0|0,0,2]=4 9713 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,1,0,0,0,0|0,0,0]=2 9714 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [1,1,0,0,0,0|1,0,0]=3 9715 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [1,1,0,0,0,0|1,0,0]=3 9716 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [1,1,0,0,0,0|0,0,1]=3 9717 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [1,1,0,0,0,0|1,0,1]=4 9718 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [1,1,0,0,0,0|1,0,1]=4 9719 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [1,1,0,0,0,0|1,0,1]=4 9720 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [1,1,0,0,0,0|1,0,1]=4 9721 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [1,1,0,0,0,0|1,0,1]=4 9722 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [1,1,0,0,0,0|0,0,2]=4 9723 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [1,1,0,0,0,0|0,0,2]=4 9724 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [1,1,0,0,0,0|1,0,1]=4 9725 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [1,1,0,0,0,0|1,0,1]=4 9726 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [1,1,0,0,0,0|0,0,2]=4 9727 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [1,1,0,0,0,0|0,0,2]=4 9728 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [1,1,0,0,0,0|1,0,1]=4 9729 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [1,1,0,0,0,0|1,0,0]=3 9730 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [1,1,0,0,0,0|1,0,0]=3 9731 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [1,1,0,0,0,0|0,0,1]=3 9732 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [1,1,0,0,0,0|0,0,1]=3 9733 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [1,1,0,0,0,0|1,0,1]=4 9734 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [1,1,0,0,0,0|1,0,1]=4 9735 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [1,1,0,0,0,0|0,0,2]=4 9736 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [1,1,0,0,0,0|0,0,2]=4 9737 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [1,1,0,0,0,0|0,0,2]=4 9738 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [1,1,0,0,0,0|0,0,2]=4 9739 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [1,1,0,0,0,0|1,0,1]=4 9740 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [1,1,0,0,0,0|1,0,1]=4 9741 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [1,1,0,0,0,0|1,0,1]=4 9742 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [1,1,0,0,0,0|1,0,0]=3 9743 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [1,1,0,0,0,0|1,0,1]=4 9744 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [1,1,0,0,0,0|1,0,1]=4 9745 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [1,1,0,0,0,0|0,0,2]=4 9746 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [1,1,0,0,0,0|0,0,2]=4 9747 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [1,1,0,0,0,0|1,0,0]=3 9748 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [1,1,0,0,0,0|1,0,1]=4 9749 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [1,1,0,0,0,0|1,0,1]=4 9750 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [1,1,0,0,0,0|1,0,1]=4 9751 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,1,0,0,0,0|0,0,0]=2 9752 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,1,0,0,0,0|0,0,0]=2 9753 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,1,0,0,0,0|0,0,0]=2 9754 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [1,1,0,0,0,0|1,0,0]=3 9755 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [1,1,0,0,0,0|1,0,0]=3 9756 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [1,1,0,0,0,0|1,0,0]=3 9757 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [1,1,0,0,0,0|1,0,0]=3 9758 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [1,1,0,0,0,0|1,0,1]=4 9759 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [1,1,0,0,0,0|1,0,1]=4 9760 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [1,1,0,0,0,0|1,0,1]=4 9761 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [1,1,0,0,0,0|1,0,1]=4 9762 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [1,1,0,0,0,0|1,0,1]=4 9763 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [1,1,0,0,0,0|0,0,2]=4 9764 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [1,1,0,0,0,0|0,0,2]=4 9765 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [1,1,0,0,0,0|2,0,0]=4 9766 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [1,1,0,0,0,0|1,0,1]=4 9767 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [1,1,0,0,0,0|1,0,0]=3 9768 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [1,1,0,0,0,0|1,0,1]=4 9769 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [1,1,0,0,0,0|1,0,1]=4 9770 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,1,0,0,0,0|0,0,0]=2 9771 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,1,0,0,0,0|0,0,0]=2 9772 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [1,1,0,0,0,0|1,0,0]=3 9773 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [1,1,0,0,0,0|1,0,0]=3 9774 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [1,1,0,0,0,0|1,0,1]=4 9775 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [1,1,0,0,0,0|1,0,1]=4 9776 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [1,1,0,0,0,0|0,0,2]=4 9777 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [1,1,0,0,0,0|0,0,2]=4 9778 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [1,1,0,0,0,0|2,0,0]=4 9779 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [1,1,0,0,0,0|1,0,0]=3 9780 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [1,1,0,0,0,0|1,0,0]=3 9781 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [1,1,0,0,0,0|1,0,1]=4 9782 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [1,1,0,0,0,0|1,0,0]=3 9783 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [1,1,0,0,0,0|1,0,1]=4 9784 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [1,1,0,0,0,0|1,0,1]=4 9785 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [1,1,0,0,0,0|1,0,1]=4 9786 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [1,1,0,0,0,0|0,0,2]=4 9787 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [1,1,0,0,0,0|1,0,0]=3 9788 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [1,1,0,0,0,0|1,0,0]=3 9789 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [1,1,0,0,0,0|1,0,0]=3 9790 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [1,1,0,0,0,0|2,0,0]=4 9791 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [1,1,0,0,0,0|2,0,0]=4 9792 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [1,1,0,0,0,0|1,0,1]=4 9793 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [1,1,0,0,0,0|1,0,1]=4 9794 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,1,0,0,0,0|0,0,0]=2 9795 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,1,0,0,0,0|0,0,0]=2 9796 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,1,0,0,0,0|0,0,0]=2 9797 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,1,0,0,0,0|0,0,0]=2 9798 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [1,1,0,0,0,0|1,0,0]=3 9799 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [1,1,0,0,0,0|1,0,0]=3 9800 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [1,1,0,0,0,0|1,0,1]=4 9801 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [1,1,0,0,0,0|1,0,1]=4 9802 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [1,1,0,0,0,0|1,0,1]=4 9803 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [1,1,0,0,0,0|1,0,1]=4 9804 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [1,1,0,0,0,0|0,0,2]=4 9805 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [1,1,0,0,0,0|0,0,2]=4 9806 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [1,1,0,0,0,0|2,0,0]=4 9807 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [1,1,0,0,0,0|1,0,1]=4 9808 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [1,1,0,0,0,0|1,0,0]=3 9809 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [1,1,0,0,0,0|1,0,0]=3 9810 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [1,1,0,0,0,0|2,0,0]=4 9811 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [1,1,0,0,0,0|2,0,0]=4 9812 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [1,1,0,0,0,0|1,0,0]=3 9813 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [1,1,0,0,0,0|1,0,0]=3 9814 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [1,1,0,0,0,0|2,0,0]=4 9815 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [1,1,0,0,0,0|2,0,0]=4 9816 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [1,1,0,0,0,0|2,0,0]=4 9817 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [1,1,0,0,0,0|1,0,1]=4 9818 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [1,1,0,0,0,0|1,0,1]=4 9819 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,1,0,0,0,0|0,0,0]=2 9820 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,1,0,0,0,0|0,0,0]=2 9821 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [1,1,0,0,0,0|1,0,0]=3 9822 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [1,1,0,0,0,0|1,0,0]=3 9823 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [1,1,0,0,0,0|1,0,1]=4 9824 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [1,1,0,0,0,0|1,0,1]=4 9825 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [1,1,0,0,0,0|0,0,2]=4 9826 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [1,1,0,0,0,0|0,0,2]=4 9827 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [1,1,0,0,0,0|2,0,0]=4 9828 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [1,1,0,0,0,0|1,0,0]=3 9829 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [1,1,0,0,0,0|1,0,0]=3 9830 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [1,1,0,0,0,0|2,0,0]=4 9831 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [1,1,0,0,0,0|2,0,0]=4 9832 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [1,1,0,0,0,0|1,0,0]=3 9833 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [1,1,0,0,0,0|1,0,0]=3 9834 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [1,1,0,0,0,0|2,0,0]=4 9835 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [1,1,0,0,0,0|2,0,0]=4 9836 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [1,1,0,0,0,0|1,0,1]=4 9837 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [1,1,0,0,0,0|1,0,1]=4 9838 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,1,0,0,0,0|0,0,0]=2 9839 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [1,1,0,0,0,0|1,0,0]=3 9840 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [1,1,0,0,0,0|1,0,1]=4 9841 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [1,1,0,0,0,0|1,0,1]=4 9842 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [1,1,0,0,0,0|1,0,0]=3 9843 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [1,1,0,0,0,0|1,0,0]=3 9844 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [1,1,0,0,0,0|1,1,0]=4 9845 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [1,1,0,0,0,0|1,1,0]=4 9846 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [1,1,0,0,0,0|1,0,0]=3 9847 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [1,1,0,0,0,0|1,0,0]=3 9848 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [1,1,0,0,0,0|2,0,0]=4 9849 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [1,1,0,0,0,0|2,0,0]=4 9850 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [1,1,0,0,0,0|1,0,0]=3 9851 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [1,1,0,0,0,0|1,0,1]=4 9852 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [1,1,0,0,0,0|1,0,1]=4 9853 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,1,0,0,0,0|0,0,0]=2 9854 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,1,0,0,0,0|0,0,0]=2 9855 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [1,1,0,0,0,0|1,0,0]=3 9856 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [1,1,0,0,0,0|1,0,0]=3 9857 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [1,1,0,0,0,0|1,0,1]=4 9858 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [1,1,0,0,0,0|1,0,1]=4 9859 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [1,1,0,0,0,0|1,0,1]=4 9860 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [1,1,0,0,0,0|1,0,1]=4 9861 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [1,1,0,0,0,0|1,0,1]=4 9862 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [1,1,0,0,0,0|1,0,1]=4 9863 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [1,1,0,0,0,0|1,0,0]=3 9864 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [1,1,0,0,0,0|1,0,0]=3 9865 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [1,1,0,0,0,0|1,0,0]=3 9866 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [1,1,0,0,0,0|1,0,0]=3 9867 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [1,1,0,0,0,0|1,0,0]=3 9868 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [1,1,0,0,0,0|1,0,0]=3 9869 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [1,1,0,0,0,0|1,1,0]=4 9870 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [1,1,0,0,0,0|1,1,0]=4 9871 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [1,1,0,0,0,0|1,0,0]=3 9872 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [1,1,0,0,0,0|1,0,0]=3 9873 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [1,1,0,0,0,0|2,0,0]=4 9874 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [1,1,0,0,0,0|1,0,0]=3 9875 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [1,1,0,0,0,0|1,0,0]=3 9876 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [1,1,0,0,0,0|1,0,0]=3 9877 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [1,1,0,0,0,0|2,0,0]=4 9878 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [1,1,0,0,0,0|2,0,0]=4 9879 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [1,1,0,0,0,0|2,0,0]=4 9880 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [1,1,0,0,0,0|2,0,0]=4 9881 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [1,1,0,0,0,0|1,0,0]=3 9882 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [1,1,0,0,0,0|1,0,1]=4 9883 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [1,1,0,0,0,0|2,0,0]=4 9884 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [1,1,0,0,0,0|2,0,0]=4 9885 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [1,1,0,0,0,0|1,0,1]=4 9886 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [1,1,0,0,0,0|1,0,1]=4 9887 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [1,1,0,0,0,0|2,0,0]=4 9888 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [1,1,0,0,0,0|1,0,0]=3 9889 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [1,1,0,0,0,0|2,0,0]=4 9890 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [1,1,0,0,0,0|1,0,0]=3 9891 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [1,1,0,0,0,0|1,0,0]=3 9892 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [1,1,0,0,0,0|2,0,0]=4 9893 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [1,1,0,0,0,0|2,0,0]=4 9894 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [1,1,0,0,0,0|2,0,0]=4 9895 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [1,1,0,0,0,0|2,0,0]=4 9896 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [1,1,0,0,0,0|1,0,1]=4 9897 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [1,1,0,0,0,0|1,0,1]=4 9898 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,1,0,0,0,0|0,0,0]=2 9899 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,1,0,0,0,0|0,0,0]=2 9900 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [1,1,0,0,0,0|1,0,1]=4 9901 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [1,1,0,0,0,0|1,0,1]=4 9902 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [1,1,0,0,0,0|2,0,0]=4 9903 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [1,1,0,0,0,0|1,0,0]=3 9904 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [1,1,0,0,0,0|1,0,0]=3 9905 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [1,1,0,0,0,0|1,1,0]=4 9906 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [1,1,0,0,0,0|1,1,0]=4 9907 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [1,1,0,0,0,0|1,0,0]=3 9908 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [1,1,0,0,0,0|1,0,0]=3 9909 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [1,1,0,0,0,0|2,0,0]=4 9910 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [1,1,0,0,0,0|2,0,0]=4 9911 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [1,1,0,0,0,0|2,0,0]=4 9912 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [1,1,0,0,0,0|2,0,0]=4 9913 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [1,1,0,0,0,0|2,0,0]=4 9914 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [1,1,0,0,0,0|1,0,1]=4 9915 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [1,1,0,0,0,0|1,0,1]=4 9916 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [1,1,0,0,0,0|1,0,1]=4 9917 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [1,1,0,0,0,0|1,0,0]=3 9918 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [1,1,0,0,0,0|1,0,0]=3 9919 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [1,1,0,0,0,0|1,0,1]=4 9920 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [1,1,0,0,0,0|1,0,0]=3 9921 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [1,1,0,0,0,0|1,0,0]=3 9922 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [1,1,0,0,0,0|1,0,0]=3 9923 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [1,1,0,0,0,0|0,0,1]=3 9924 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [1,1,0,0,0,0|1,0,1]=4 9925 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [1,1,0,0,0,0|1,0,1]=4 9926 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [1,1,0,0,0,0|1,0,1]=4 9927 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [1,1,0,0,0,0|1,0,0]=3 9928 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [1,1,0,0,0,0|1,0,0]=3 9929 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [1,1,0,0,0,0|1,0,0]=3 9930 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [1,1,0,0,0,0|1,0,0]=3 9931 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [1,1,0,0,0,0|2,0,0]=4 9932 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [1,1,0,0,0,0|2,0,0]=4 9933 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [1,1,0,0,0,0|1,0,1]=4 9934 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [1,1,0,0,0,0|2,0,0]=4 9935 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [1,1,0,0,0,0|2,0,0]=4 9936 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [1,1,0,0,0,0|2,0,0]=4 9937 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [1,1,0,0,0,0|2,0,0]=4 9938 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [1,1,0,0,0,0|1,0,0]=3 9939 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [1,1,0,0,0,0|1,0,0]=3 9940 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [1,1,0,0,0,0|1,0,0]=3 9941 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [1,1,0,0,0,0|2,0,0]=4 9942 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [1,1,0,0,0,0|2,0,0]=4 9943 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [1,1,0,0,0,0|2,0,0]=4 9944 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [1,1,0,0,0,0|2,0,0]=4 9945 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [1,1,0,0,0,0|2,0,0]=4 9946 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [1,1,0,0,0,0|1,0,0]=3 9947 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [1,1,0,0,0,0|1,0,0]=3 9948 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [1,1,0,0,0,0|2,0,0]=4 9949 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [1,1,0,0,0,0|2,0,0]=4 9950 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [1,1,0,0,0,0|2,0,0]=4 9951 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [1,1,0,0,0,0|2,0,0]=4 9952 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [1,1,0,0,0,0|2,0,0]=4 9953 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [1,1,0,0,0,0|1,0,1]=4 9954 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [1,1,0,0,0,0|1,0,1]=4 9955 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [1,1,0,0,0,0|1,0,0]=3 9956 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [1,1,0,0,0,0|1,0,0]=3 9957 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [1,1,0,0,0,0|1,0,1]=4 9958 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [1,1,0,0,0,0|1,0,1]=4 9959 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [1,1,0,0,0,0|1,0,0]=3 9960 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [1,1,0,0,0,0|1,0,0]=3 9961 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [1,1,0,0,0,0|1,0,0]=3 9962 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [1,1,0,0,0,0|1,0,0]=3 9963 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [1,1,0,0,0,0|2,0,0]=4 9964 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [1,1,0,0,0,0|1,0,0]=3 9965 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [1,1,0,0,0,0|2,0,0]=4 9966 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [1,1,0,0,0,0|2,0,0]=4 9967 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [1,1,0,0,0,0|2,0,0]=4 9968 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [1,1,0,0,0,0|2,0,0]=4 9969 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [1,1,0,0,0,0|2,0,0]=4 9970 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [1,1,0,0,0,0|1,0,1]=4 9971 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [1,1,0,0,0,0|1,0,1]=4 9972 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [1,1,0,0,0,0|1,0,1]=4 9973 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [1,1,0,0,0,0|1,0,0]=3 9974 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [1,1,0,0,0,0|1,0,0]=3 9975 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [1,1,0,0,0,0|1,0,0]=3 9976 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [1,1,0,0,0,0|2,0,0]=4 9977 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [1,1,0,0,0,0|1,0,1]=4 9978 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [1,1,0,0,0,0|1,0,0]=3 9979 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [1,1,0,0,0,0|2,0,0]=4 9980 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [1,1,0,0,0,0|2,0,0]=4 9981 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [1,1,0,0,0,0|2,0,0]=4 9982 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [1,1,0,0,0,0|2,0,0]=4 9983 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [1,1,0,0,0,0|1,0,0]=3 9984 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [1,1,0,0,0,0|1,0,0]=3 9985 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [1,1,0,0,0,0|1,0,0]=3 9986 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [1,1,0,0,0,0|2,0,0]=4 9987 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [1,1,0,0,0,0|2,0,0]=4 9988 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [1,1,0,0,0,0|2,0,0]=4 9989 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [1,1,0,0,0,0|2,0,0]=4 9990 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [1,1,0,0,0,0|2,0,0]=4 9991 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [1,1,0,0,0,0|1,0,0]=3 9992 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [1,1,0,0,0,0|1,0,0]=3 9993 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [1,1,0,0,0,0|2,0,0]=4 9994 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [1,1,0,0,0,0|2,0,0]=4 9995 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [1,1,0,0,0,0|2,0,0]=4 9996 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [1,1,0,0,0,0|2,0,0]=4 9997 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [1,1,0,0,0,0|1,0,0]=3 9998 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [1,1,0,0,0,0|2,0,0]=4 9999 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [1,1,0,0,0,0|2,0,0]=4 10000 B11R0.148 CCOCCNCCCS(=O)C 2230a_200000753449_100011215890 [1,1,0,0,0,0|2,0,0]=4 10001 B11R0.148 CCOCCNCCNC(=O)C 2230a_100000209853_100011215890 [1,1,0,0,0,0|2,0,0]=4 10002 B11R0.148 CCOCCNCCNC(=O)C 2230a_102516460346_100000189650 [1,1,0,0,0,0|2,0,0]=4 10003 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [1,1,0,0,0,0|2,0,0]=4 10004 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [1,1,0,0,0,0|1,0,0]=3 10005 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [1,1,0,0,0,0|1,0,0]=3 10006 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [1,1,0,0,0,0|1,0,0]=3 10007 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [1,1,0,0,0,0|1,0,0]=3 10008 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [1,1,0,0,0,0|2,0,0]=4 10009 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [1,1,0,0,0,0|2,0,0]=4 10010 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [1,1,0,0,0,0|2,0,0]=4 10011 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [1,1,0,0,0,0|2,0,0]=4 10012 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [1,1,0,0,0,0|2,0,0]=4 10013 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [1,1,0,0,0,0|2,0,0]=4 10014 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [1,1,0,0,0,0|2,0,0]=4 10015 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [1,1,0,0,0,0|2,0,0]=4 10016 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [1,1,0,0,0,0|2,0,0]=4 10017 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [1,1,0,0,0,0|2,0,0]=4 10018 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [1,1,0,0,0,0|2,0,0]=4 10019 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [1,1,0,0,0,0|1,0,0]=3 10020 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [1,1,0,0,0,0|1,0,0]=3 10021 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [1,1,0,0,0,0|2,0,0]=4 10022 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [1,1,0,0,0,0|2,0,0]=4 10023 B11R0.148 CCOCCSCCNC(=O)C 62a_100000189650_100011215890 [1,1,0,0,0,0|2,0,0]=4 10024 B11R0.148 CCOCCSCCNC(=O)C 62a_100000210147_100000189650 [1,1,0,0,0,0|2,0,0]=4 10025 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [1,1,0,0,0,0|2,0,0]=4 10026 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [1,1,0,0,0,0|2,0,0]=4 10027 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [1,1,0,0,0,0|2,0,0]=4 10028 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [1,1,0,0,0,0|1,0,0]=3 10029 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [1,1,0,0,0,0|1,0,0]=3 10030 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [1,1,0,0,0,0|2,0,0]=4 10031 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [1,1,0,0,0,0|2,0,0]=4 10032 B11R0.148 CCOCSCCCSC(=O)C 62a_100000038929_100000739092 [1,1,0,0,0,0|2,0,0]=4 10033 B11R0.148 CCOCSCCCSC(=O)C 62a_100000739092_100000038929 [1,1,0,0,0,0|2,0,0]=4 10034 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [1,1,0,0,0,0|1,0,1]=4 10035 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [1,1,0,0,0,0|1,0,1]=4 10036 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [1,1,0,0,0,0|1,0,0]=3 10037 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [1,1,0,0,0,0|1,0,0]=3 10038 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [1,1,0,0,0,0|1,0,0]=3 10039 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [1,1,0,0,0,0|2,0,0]=4 10040 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [1,1,0,0,0,0|2,0,0]=4 10041 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [1,1,0,0,0,0|2,0,0]=4 10042 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [1,1,0,0,0,0|2,0,0]=4 10043 B11R0.148 CCSCCNCCCS(=O)C 2230a_200000753449_100000757381 [1,1,0,0,0,0|2,0,0]=4 10044 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000106463_100000189650 [1,1,0,0,0,0|2,0,0]=4 10045 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000209853_100000757381 [1,1,0,0,0,0|2,0,0]=4 10046 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [1,1,0,0,0,0|1,0,0]=3 10047 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [1,1,0,0,0,0|1,0,0]=3 10048 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [1,1,0,0,0,0|1,0,0]=3 10049 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [1,1,0,0,0,0|1,0,0]=3 10050 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [1,1,0,0,0,0|2,0,0]=4 10051 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [1,1,0,0,0,0|2,0,0]=4 10052 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [1,1,0,0,0,0|2,0,0]=4 10053 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [1,1,0,0,0,0|2,0,0]=4 10054 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [1,1,0,0,0,0|2,0,0]=4 10055 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [1,1,0,0,0,0|2,0,0]=4 10056 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [1,1,0,0,0,0|2,0,0]=4 10057 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [1,1,0,0,0,0|2,0,0]=4 10058 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [1,1,0,0,0,0|1,0,0]=3 10059 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [1,1,0,0,0,0|1,0,0]=3 10060 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [1,1,0,0,0,0|2,0,0]=4 10061 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [1,1,0,0,0,0|2,0,0]=4 10062 B11R0.148 CCSCCSCCNC(=O)C 62a_100000189650_100000757381 [1,1,0,0,0,0|2,0,0]=4 10063 B11R0.148 CCSCCSCCNC(=O)C 62a_100000757381_100000189650 [1,1,0,0,0,0|2,0,0]=4 10064 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [1,1,0,0,0,0|2,0,0]=4 10065 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [1,1,0,0,0,0|2,0,0]=4 10066 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [1,1,0,0,0,0|2,0,0]=4 10067 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [1,1,0,0,0,0|2,0,0]=4 10068 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [1,1,0,0,0,0|1,0,0]=3 10069 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [1,1,0,0,0,0|1,0,0]=3 10070 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [1,1,0,0,0,0|2,0,0]=4 10071 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [1,1,0,0,0,0|1,0,1]=4 10072 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [1,1,0,0,0,0|1,0,0]=3 10073 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [1,1,0,0,0,0|2,0,0]=4 10074 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [1,1,0,0,0,0|2,0,0]=4 10075 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [1,1,0,0,0,0|2,0,0]=4 10076 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [1,1,0,0,0,0|1,0,1]=4 10077 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [1,1,0,0,0,0|1,0,1]=4 10078 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [1,1,0,0,0,0|2,0,0]=4 10079 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [1,1,0,0,0,0|2,0,0]=4 10080 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [1,1,0,0,0,0|1,0,1]=4 10081 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [1,1,0,0,0,0|2,0,0]=4 10082 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [1,1,0,0,0,0|1,0,0]=3 10083 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [1,1,0,0,0,0|1,0,0]=3 10084 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [1,1,0,0,0,0|2,0,0]=4 10085 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [1,1,0,0,0,0|2,0,0]=4 10086 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [1,1,0,0,0,0|2,0,0]=4 10087 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [1,1,0,0,0,0|2,0,0]=4 10088 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [1,1,0,0,0,0|1,0,0]=3 10089 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [1,1,0,0,0,0|1,0,0]=3 10090 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [1,1,0,0,0,0|2,0,0]=4 10091 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [1,1,0,0,0,0|2,0,0]=4 10092 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [1,1,0,0,0,0|2,0,0]=4 10093 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [1,1,0,0,0,0|2,0,0]=4 10094 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [1,1,0,0,0,0|1,0,0]=3 10095 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [1,1,0,0,0,0|2,0,0]=4 10096 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [1,1,0,0,0,0|2,0,0]=4 10097 B11R0.148 COCCCNCCCS(=O)C 2230a_200000753449_100000740836 [1,1,0,0,0,0|2,0,0]=4 10098 B11R0.148 COCCCNCCNC(=O)C 2230a_100000209853_100000740836 [1,1,0,0,0,0|2,0,0]=4 10099 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [1,1,0,0,0,0|2,0,0]=4 10100 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [1,1,0,0,0,0|1,0,0]=3 10101 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [1,1,0,0,0,0|1,0,0]=3 10102 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [1,1,0,0,0,0|1,0,0]=3 10103 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [1,1,0,0,0,0|2,0,0]=4 10104 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [1,1,0,0,0,0|2,0,0]=4 10105 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [1,1,0,0,0,0|2,0,0]=4 10106 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [1,1,0,0,0,0|1,0,0]=3 10107 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [1,1,0,0,0,0|1,0,0]=3 10108 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [1,1,0,0,0,0|2,0,0]=4 10109 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [1,1,0,0,0,0|2,0,0]=4 10110 B11R0.148 COCCCSCCNC(=O)C 62a_100000189650_100000709357 [1,1,0,0,0,0|2,0,0]=4 10111 B11R0.148 COCCCSCCNC(=O)C 62a_100000709357_100000189650 [1,1,0,0,0,0|2,0,0]=4 10112 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [1,1,0,0,0,0|2,0,0]=4 10113 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [1,1,0,0,0,0|2,0,0]=4 10114 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [1,1,0,0,0,0|2,0,0]=4 10115 B11R0.148 COCCNCCCNC(=O)C 34a_100000736810_100011201679 [1,1,0,0,0,0|2,0,0]=4 10116 B11R0.148 COCCNCCCSC(=O)C 2230a_100000209980_100000038929 [1,1,0,0,0,0|2,0,0]=4 10117 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [1,1,0,0,0,0|2,0,0]=4 10118 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [1,1,0,0,0,0|1,0,0]=3 10119 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [1,1,0,0,0,0|2,0,0]=4 10120 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [1,1,0,0,0,0|2,0,0]=4 10121 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [1,1,0,0,0,0|2,0,0]=4 10122 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [1,1,0,0,0,0|2,0,0]=4 10123 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [1,1,0,0,0,0|2,0,0]=4 10124 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [1,1,0,0,0,0|2,0,0]=4 10125 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [1,1,0,0,0,0|2,0,0]=4 10126 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [1,1,0,0,0,0|2,0,0]=4 10127 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [1,1,0,0,0,0|2,0,0]=4 10128 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [1,1,0,0,0,0|2,0,0]=4 10129 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [1,1,0,0,0,0|2,0,0]=4 10130 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [1,1,0,0,0,0|2,0,0]=4 10131 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [1,1,0,0,0,0|2,0,0]=4 10132 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [1,1,0,0,0,0|1,0,0]=3 10133 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [1,1,0,0,0,0|1,0,0]=3 10134 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [1,1,0,0,0,0|2,0,0]=4 10135 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [1,1,0,0,0,0|2,0,0]=4 10136 B11R0.148 COCCSCCCSC(=O)C 62a_100000038929_100000233755 [1,1,0,0,0,0|2,0,0]=4 10137 B11R0.148 COCCSCCCSC(=O)C 62a_100000233755_100000038929 [1,1,0,0,0,0|2,0,0]=4 10138 B11R0.148 COCNCCCCNC(=O)C 2230a_200011368371_100000766300 [1,1,0,0,0,0|2,0,0]=4 10139 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [1,1,0,0,0,0|2,0,0]=4 10140 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [1,1,0,0,0,0|2,0,0]=4 10141 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [1,1,0,0,0,0|2,0,0]=4 10142 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [1,1,0,0,0,0|2,0,0]=4 10143 B11R0.148 COCSCCCCSC(=O)C 62a_100000766300_200010402107 [1,1,0,0,0,0|2,0,0]=4 10144 B11R0.148 COCSCCCCSC(=O)C 62a_200010402107_100000766300 [1,1,0,0,0,0|2,0,0]=4 10145 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [1,1,0,0,0,0|2,0,0]=4 10146 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [1,1,0,0,0,0|2,0,0]=4 10147 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [1,1,0,0,0,0|1,0,0]=3 10148 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [1,1,0,0,0,0|2,0,0]=4 10149 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [1,1,0,0,0,0|2,0,0]=4 10150 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [1,1,0,0,0,0|2,0,0]=4 10151 B11R0.148 CSCCCNCCNC(=O)C 2230a_100000749238_100000189650 [1,1,0,0,0,0|2,0,0]=4 10152 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [1,1,0,0,0,0|1,0,0]=3 10153 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [1,1,0,0,0,0|1,0,0]=3 10154 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [1,1,0,0,0,0|2,0,0]=4 10155 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [1,1,0,0,0,0|2,0,0]=4 10156 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [1,1,0,0,0,0|2,0,0]=4 10157 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [1,1,0,0,0,0|2,0,0]=4 10158 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [1,1,0,0,0,0|2,0,0]=4 10159 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [1,1,0,0,0,0|2,0,0]=4 10160 B11R0.148 CSCCNCCCNC(=O)C 34a_100000736810_100000212216 [1,1,0,0,0,0|2,0,0]=4 10161 B11R0.148 CSCCNCCCSC(=O)C 2230a_100020590264_100000038929 [1,1,0,0,0,0|2,0,0]=4 10162 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [1,1,0,0,0,0|2,0,0]=4 10163 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [1,1,0,0,0,0|1,0,0]=3 10164 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [1,1,0,0,0,0|1,0,0]=3 10165 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [1,1,0,0,0,0|2,0,0]=4 10166 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [1,1,0,0,0,0|2,0,0]=4 10167 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [1,1,0,0,0,0|2,0,0]=4 10168 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [1,1,0,0,0,0|2,0,0]=4 10169 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [1,1,0,0,0,0|2,0,0]=4 10170 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [1,1,0,0,0,0|2,0,0]=4 10171 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [1,1,0,0,0,0|2,0,0]=4 10172 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [1,1,0,0,0,0|1,0,0]=3 10173 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [1,1,0,0,0,0|1,0,0]=3 10174 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [1,1,0,0,0,0|2,0,0]=4 10175 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [1,1,0,0,0,0|2,0,0]=4 10176 B11R0.148 CSCCSCCCSC(=O)C 62a_100000038929_100000751147 [1,1,0,0,0,0|2,0,0]=4 10177 B11R0.148 CSCCSCCCSC(=O)C 62a_100000212216_100000038929 [1,1,0,0,0,0|2,0,0]=4 10178 B11R0.148 CSCNCCCCNC(=O)C 2230a_200011368371_100011218213 [1,1,0,0,0,0|2,0,0]=4 10179 B11R0.148 CSCNCCCCNC(=O)C 34a_200011368371_100011218213 [1,1,0,0,0,0|2,0,0]=4 10180 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [1,1,0,0,0,0|2,0,0]=4 10181 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [1,1,0,0,0,0|2,0,0]=4 10182 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [1,1,0,0,0,0|2,0,0]=4 10183 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [1,1,0,0,0,0|2,0,0]=4 10184 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [1,1,0,0,0,0|2,0,0]=4 10185 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [1,1,0,0,0,0|2,0,0]=4 10186 B11R0.148 CSCSCCCCSC(=O)C 62a_100011218213_200010402107 [1,1,0,0,0,0|2,0,0]=4 10187 B11R0.148 CSCSCCCCSC(=O)C 62a_200010402107_100011218213 [1,1,0,0,0,0|2,0,0]=4 10188 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [1,1,0,0,0,0|1,0,1]=4 10189 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [1,1,0,0,0,0|2,0,0]=4 10190 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [1,1,0,0,0,0|2,0,0]=4 10191 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [1,1,0,0,0,0|2,0,0]=4 10192 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [1,1,0,0,0,0|2,0,0]=4 10193 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [1,1,0,0,0,0|2,0,0]=4 10194 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [1,1,0,0,0,0|2,0,0]=4 10195 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [1,1,0,0,0,0|2,0,0]=4 10196 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [1,1,0,0,0,0|2,0,0]=4 10197 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [1,1,0,0,0,0|2,0,0]=4 10198 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [1,1,0,0,0,0|2,0,0]=4 10199 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [1,1,0,0,0,0|2,0,0]=4 10200 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [1,1,0,0,0,0|2,0,0]=4 10201 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [1,1,0,0,0,0|2,0,0]=4 10202 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [1,1,0,0,0,0|2,0,0]=4 10203 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [1,1,0,0,0,0|2,0,0]=4 10204 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [1,1,0,0,0,0|2,0,0]=4 10205 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [1,1,0,0,0,0|2,0,0]=4 10206 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [1,1,0,0,0,0|2,0,0]=4 10207 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [1,1,0,0,0,0|2,0,0]=4 10208 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [1,1,0,0,0,0|2,0,0]=4 10209 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [1,1,0,0,0,0|2,0,0]=4 10210 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [1,1,0,0,0,0|2,0,0]=4 10211 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [1,1,0,0,0,0|2,0,0]=4 10212 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [1,1,0,0,0,0|2,0,0]=4 10213 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [1,1,0,0,0,0|2,0,0]=4 10214 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [1,1,0,0,0,0|2,0,0]=4 10215 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [1,1,0,0,0,0|2,0,0]=4 10216 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [1,1,0,0,0,0|2,0,0]=4 10217 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [1,1,0,0,0,0|2,0,0]=4 10218 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [1,1,0,0,0,0|2,0,0]=4 10219 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [1,1,0,0,0,0|2,0,0]=4 10220 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [1,1,0,0,0,0|2,0,0]=4 10221 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [1,1,0,0,0,0|2,0,0]=4 10222 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [1,1,0,0,0,0|2,0,0]=4 10223 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [1,1,0,0,0,0|2,0,0]=4 10224 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [1,1,0,0,0,0|2,0,0]=4 10225 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [1,1,0,0,0,0|2,0,0]=4 10226 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [1,1,0,0,0,0|2,0,0]=4 10227 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [1,1,0,0,0,0|2,0,0]=4 10228 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [1,1,0,0,0,0|2,0,0]=4 10229 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [1,1,0,0,0,0|2,0,0]=4 10230 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [1,1,0,0,0,0|2,0,0]=4 10231 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [1,1,0,0,0,0|2,0,0]=4 10232 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [1,1,0,0,0,0|2,0,0]=4 10233 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [1,1,0,0,0,0|2,0,0]=4 10234 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [1,1,0,0,0,0|2,0,0]=4 10235 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [1,1,0,0,0,0|2,0,0]=4 10236 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [1,1,0,0,0,0|2,0,0]=4 10237 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [1,1,0,0,0,0|2,0,0]=4 10238 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [1,1,0,0,0,0|2,0,0]=4 10239 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [1,1,0,0,0,0|2,0,0]=4 10240 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [1,1,0,0,0,0|2,0,0]=4 10241 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [1,1,0,0,0,0|2,0,0]=4 10242 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [1,1,0,0,0,0|2,0,0]=4 10243 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [1,1,0,0,0,0|2,0,0]=4 10244 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [1,1,0,0,0,0|2,0,0]=4 10245 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [1,1,0,0,0,0|2,0,0]=4 10246 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [1,1,0,0,0,0|2,0,0]=4 10247 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [1,1,0,0,0,0|2,0,0]=4 10248 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [1,1,0,0,0,0|2,0,0]=4 10249 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [1,1,0,0,0,0|2,0,0]=4 10250 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [1,1,0,0,0,0|2,0,0]=4 10251 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [1,1,0,0,0,0|1,0,1]=4 10252 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [1,1,0,0,0,0|2,0,0]=4 10253 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [1,1,0,0,0,0|2,0,0]=4 10254 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [1,1,0,0,0,0|2,0,0]=4 10255 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [1,1,0,0,0,0|1,0,0]=3 10256 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,1,0,0,0,0|1,0,0]=3 10257 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [1,1,0,0,0,0|2,0,0]=4 10258 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [1,1,0,0,0,0|2,0,0]=4 10259 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [1,1,0,0,0,0|2,0,0]=4 10260 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [1,1,0,0,0,0|2,0,0]=4 10261 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [1,1,0,0,0,0|1,0,1]=4 10262 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [1,1,0,0,0,0|1,0,1]=4 10263 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [1,1,0,0,0,0|1,0,1]=4 10264 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [1,1,0,0,0,0|1,0,1]=4 10265 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [1,1,0,0,0,0|1,0,1]=4 10266 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [1,1,0,0,0,0|1,0,1]=4 10267 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [1,1,0,0,0,0|1,0,1]=4 10268 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [1,1,0,0,0,0|1,0,1]=4 10269 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [1,1,0,0,0,0|1,0,1]=4 10270 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [1,1,0,0,0,0|1,0,1]=4 10271 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [1,1,0,0,0,0|1,0,1]=4 10272 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [1,1,0,0,0,0|2,0,0]=4 10273 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [1,1,0,0,0,0|2,0,0]=4 10274 B11R0.159 CCCCCCCNS(=O)(=O)C 40a_100000229938_100000738038 [1,1,0,0,0,0|2,0,0]=4 10275 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000209983_100000731031 [1,1,0,0,0,0|2,0,0]=4 10276 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210326 [1,1,0,0,0,0|2,0,0]=4 10277 B11R0.159 CCCCCNCCS(=O)(=O)C 34a_100000740961_100000718602 [1,1,0,0,0,0|2,0,0]=4 10278 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000210253_100000731031 [1,1,0,0,0,0|2,0,0]=4 10279 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000211924_100000718602 [1,1,0,0,0,0|2,0,0]=4 10280 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000210253_100000230027 [1,1,0,0,0,0|2,0,0]=4 10281 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000211924_100000210326 [1,1,0,0,0,0|2,0,0]=4 10282 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000210326_100000230027 [1,1,0,0,0,0|2,0,0]=4 10283 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000731031_100000210326 [1,1,0,0,0,0|2,0,0]=4 10284 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000102301_100000754308 [1,1,0,0,0,0|2,0,0]=4 10285 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210211 [1,1,0,0,0,0|2,0,0]=4 10286 B11R0.159 CCCCNCCCS(=O)(=O)C 34a_100000742409_100000210210 [1,1,0,0,0,0|2,0,0]=4 10287 B11R0.159 CCCCNCCCS(=O)(=O)C 7a_106832991798_100000754308 [1,1,0,0,0,0|2,0,0]=4 10288 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000210227_100000754308 [1,1,0,0,0,0|2,0,0]=4 10289 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000689940_100000210210 [1,1,0,0,0,0|2,0,0]=4 10290 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000210227_100000754308 [1,1,0,0,0,0|2,0,0]=4 10291 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000689940_100000210211 [1,1,0,0,0,0|2,0,0]=4 10292 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000210211_100000754308 [1,1,0,0,0,0|2,0,0]=4 10293 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000754308_100000210210 [1,1,0,0,0,0|2,0,0]=4 10294 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000688023_100000730704 [1,1,0,0,0,0|2,0,0]=4 10295 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000764851_100011216630 [1,1,0,0,0,0|2,0,0]=4 10296 B11R0.176 C=C(C)CCOCC(C)CCC 7a_100000688023_100000730704 [1,1,0,0,0,0|2,0,0]=4 10297 B11R0.176 C=C(C)CCOC[C@@H](N)CCC 34a_100000732646_100000730704 [1,1,0,0,0,0|2,0,0]=4 10298 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100000730704_100011216630 [1,1,0,0,0,0|2,0,0]=4 10299 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100011216630_100000730704 [1,1,0,0,0,0|2,0,0]=4 10300 B11R0.176 C=C(C)COCCC(C)CCC 34a_100011217855_100000748629 [1,1,0,0,0,0|2,0,0]=4 10301 B11R0.176 C=C(C)COCCC(C)CCC 7a_100011217855_100000748629 [1,1,0,0,0,0|2,0,0]=4 10302 B11R0.176 C=C(C)COCC[C@@H](N)CCC 34a_100015193777_100000748629 [1,1,0,0,0,0|2,0,0]=4 10303 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [1,1,0,0,0,0|1,0,1]=4 10304 B11R0.176 CC(=O)CCCCN(C)CCO 269982a_100000210263_100000735457 [1,1,0,0,0,0|2,0,0]=4 10305 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [1,1,0,0,0,0|2,0,0]=4 10306 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [1,1,0,0,0,0|2,0,0]=4 10307 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [1,1,0,0,0,0|2,0,0]=4 10308 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [1,1,0,0,0,0|2,0,0]=4 10309 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [1,1,0,0,0,0|2,0,0]=4 10310 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [1,1,0,0,0,0|2,0,0]=4 10311 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [1,1,0,0,0,0|0,0,1]=3 10312 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [1,1,0,0,0,0|1,0,1]=4 10313 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [1,1,0,0,0,0|1,0,1]=4 10314 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [1,1,0,0,0,0|1,0,1]=4 10315 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [1,1,0,0,0,0|1,0,1]=4 10316 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [1,1,0,0,0,0|1,0,1]=4 10317 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [1,1,0,0,0,0|1,0,1]=4 10318 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [1,1,0,0,0,0|2,0,0]=4 10319 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [1,1,0,0,0,0|2,0,0]=4 10320 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [1,1,0,0,0,0|1,0,1]=4 10321 B11R0.176 CCCC(C)CNOCC(=O)O 269956a_100000106656_100011216630 [1,1,0,0,0,0|2,0,0]=4 10322 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [1,1,0,0,0,0|1,0,0]=3 10323 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [1,1,0,0,0,0|1,0,0]=3 10324 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [1,1,0,0,0,0|1,0,0]=3 10325 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [1,1,0,0,0,0|2,0,0]=4 10326 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [1,1,0,0,0,0|2,0,0]=4 10327 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [1,1,0,0,0,0|2,0,0]=4 10328 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [1,1,0,0,0,0|2,0,0]=4 10329 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [1,1,0,0,0,0|2,0,0]=4 10330 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [1,1,0,0,0,0|1,0,0]=3 10331 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [1,1,0,0,0,0|1,0,0]=3 10332 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [1,1,0,0,0,0|2,0,0]=4 10333 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [1,1,0,0,0,0|2,0,0]=4 10334 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [1,1,0,0,0,0|2,0,0]=4 10335 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [1,1,0,0,0,0|2,0,0]=4 10336 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [1,1,0,0,0,0|2,0,0]=4 10337 B11R0.176 CCCC(C)NCCCS(=O)C 2230a_200000753449_100000766640 [1,1,0,0,0,0|2,0,0]=4 10338 B11R0.176 CCCC(C)NCCCS(=O)C 270004a_200000753449_100000211909 [1,1,0,0,0,0|2,0,0]=4 10339 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000209853_100000766640 [1,1,0,0,0,0|2,0,0]=4 10340 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000741246_100000189650 [1,1,0,0,0,0|2,0,0]=4 10341 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [1,1,0,0,0,0|1,0,0]=3 10342 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [1,1,0,0,0,0|1,0,0]=3 10343 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [1,1,0,0,0,0|1,0,0]=3 10344 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [1,1,0,0,0,0|1,0,0]=3 10345 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [1,1,0,0,0,0|2,0,0]=4 10346 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [1,1,0,0,0,0|2,0,0]=4 10347 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [1,1,0,0,0,0|2,0,0]=4 10348 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [1,1,0,0,0,0|2,0,0]=4 10349 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [1,1,0,0,0,0|2,0,0]=4 10350 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [1,1,0,0,0,0|2,0,0]=4 10351 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [1,1,0,0,0,0|1,0,0]=3 10352 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [1,1,0,0,0,0|1,0,0]=3 10353 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [1,1,0,0,0,0|2,0,0]=4 10354 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [1,1,0,0,0,0|2,0,0]=4 10355 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000189650_100000766640 [1,1,0,0,0,0|2,0,0]=4 10356 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000766640_100000189650 [1,1,0,0,0,0|2,0,0]=4 10357 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [1,1,0,0,0,0|2,0,0]=4 10358 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [1,1,0,0,0,0|2,0,0]=4 10359 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [1,1,0,0,0,0|1,0,0]=3 10360 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [1,1,0,0,0,0|2,0,0]=4 10361 B11R0.176 CCCN(C)CCCSC(=O)C 2230a_100000747261_100000038929 [1,1,0,0,0,0|2,0,0]=4 10362 B11R0.176 CCCN(C)CCCSC(=O)C 269982a_100000747261_100000038929 [1,1,0,0,0,0|2,0,0]=4 10363 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [1,1,0,0,0,0|2,0,0]=4 10364 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [1,1,0,0,0,0|1,0,1]=4 10365 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [1,1,0,0,0,0|2,0,0]=4 10366 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [1,1,0,0,0,0|2,0,0]=4 10367 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [1,1,0,0,0,0|1,0,1]=4 10368 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [1,1,0,0,0,0|1,0,1]=4 10369 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [1,1,0,0,0,0|1,0,1]=4 10370 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [1,1,0,0,0,0|1,0,1]=4 10371 B11R0.176 COCC(C)OCCCC(=O)C 34a_100000759063_100000765312 [1,1,0,0,0,0|2,0,0]=4 10372 B11R0.176 COCC(C)OCCCC(=O)C 7a_100000759063_100000765312 [1,1,0,0,0,0|2,0,0]=4 10373 B11R0.176 COCC(C)SCCCC(=O)C 62a_100000765312_100011215641 [1,1,0,0,0,0|2,0,0]=4 10374 B11R0.176 COCC(C)SCCCC(=O)C 62a_100011215641_100000765312 [1,1,0,0,0,0|2,0,0]=4 10375 B11R0.176 COCC(O)COCCC(=O)C 34a_100000759926_100011215053 [1,1,0,0,0,0|2,0,0]=4 10376 B11R0.176 COCC(O)COCCC(=O)C 7a_100000759926_100011215053 [1,1,0,0,0,0|2,0,0]=4 10377 B11R0.176 COCC(O)CSCCC(=O)C 62a_100000053229_100011215053 [1,1,0,0,0,0|2,0,0]=4 10378 B11R0.176 COCC(O)CSCCC(=O)C 62a_100011215053_100000053229 [1,1,0,0,0,0|2,0,0]=4 10379 B11R0.176 COC[C@@H](C)OCCCC(=O)C 34a_100011934205_100000685027 [1,1,0,0,0,0|2,0,0]=4 10380 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [1,1,0,0,0,0|1,0,1]=4 10381 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [1,1,0,0,0,0|0,0,2]=4 10382 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [1,1,0,0,0,0|0,0,2]=4 10383 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [1,1,0,0,0,0|0,0,2]=4 10384 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [1,1,0,0,0,0|0,0,2]=4 10385 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [1,1,0,0,0,0|1,0,0]=3 10386 B11R0.3 C/C=C/CCOCCCCCF 34a_100016278192_100000729378 [1,1,0,0,0,0|2,0,0]=4 10387 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [1,1,0,0,0,0|2,0,0]=4 10388 B11R0.3 C/C=C/CCOCCCCOC 34a_100016278192_100000755781 [1,1,0,0,0,0|2,0,0]=4 10389 B11R0.3 C/C=C/CCOCCCOCC 34a_100016278192_100012232248 [1,1,0,0,0,0|2,0,0]=4 10390 B11R0.3 C/C=C/CCOCCOCCC 34a_100016278192_100011215938 [1,1,0,0,0,0|2,0,0]=4 10391 B11R0.3 C/C=C/CCOCOCCCC 34a_100016278192_100011995733 [1,1,0,0,0,0|2,0,0]=4 10392 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [1,1,0,0,0,0|2,0,0]=4 10393 B11R0.3 C/C=C/CNCCCCCOC 34a_100000747528_100102629194 [1,1,0,0,0,0|2,0,0]=4 10394 B11R0.3 C/C=C/CNCCCOCCC 34a_100011217757_100102629194 [1,1,0,0,0,0|2,0,0]=4 10395 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [1,1,0,0,0,0|2,0,0]=4 10396 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [1,1,0,0,0,0|2,0,0]=4 10397 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [1,1,0,0,0,0|1,0,0]=3 10398 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [1,1,0,0,0,0|1,0,0]=3 10399 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [1,1,0,0,0,0|1,0,0]=3 10400 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [1,1,0,0,0,0|2,0,0]=4 10401 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [1,1,0,0,0,0|2,0,0]=4 10402 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [1,1,0,0,0,0|2,0,0]=4 10403 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [1,1,0,0,0,0|2,0,0]=4 10404 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [1,1,0,0,0,0|2,0,0]=4 10405 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [1,1,0,0,0,0|2,0,0]=4 10406 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [1,1,0,0,0,0|2,0,0]=4 10407 B11R0.3 C/C=C/COCCCCCNC 34a_100000722520_100102629194 [1,1,0,0,0,0|2,0,0]=4 10408 B11R0.3 C/C=C/COCCOCCCC 34a_100000210238_100102629194 [1,1,0,0,0,0|2,0,0]=4 10409 B11R0.3 C/C=C/COCCOCCCC 34a_100016270725_100000743108 [1,1,0,0,0,0|2,0,0]=4 10410 B11R0.3 C/C=C/COCCOCCCC 7a_100000210238_100102629194 [1,1,0,0,0,0|2,0,0]=4 10411 B11R0.3 C/C=C/COCCSCCCC 34a_200000230436_100102629194 [1,1,0,0,0,0|2,0,0]=4 10412 B11R0.3 C/C=C/COCCSCCCC 7a_200000230436_100102629194 [1,1,0,0,0,0|2,0,0]=4 10413 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [1,1,0,0,0,0|1,0,0]=3 10414 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [1,1,0,0,0,0|1,0,0]=3 10415 B11R0.3 C/C=C/CSCCCCCCF 62a_100015922095_100102629194 [1,1,0,0,0,0|2,0,0]=4 10416 B11R0.3 C/C=C/CSCCCCCCF 62a_100102629194_100015922095 [1,1,0,0,0,0|2,0,0]=4 10417 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [1,1,0,0,0,0|2,0,0]=4 10418 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [1,1,0,0,0,0|2,0,0]=4 10419 B11R0.3 C/C=C/CSCCOCCCC 62a_100000743108_100102629194 [1,1,0,0,0,0|2,0,0]=4 10420 B11R0.3 C/C=C/CSCCOCCCC 62a_100102629194_100000743108 [1,1,0,0,0,0|2,0,0]=4 10421 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [1,1,0,0,0,0|0,0,2]=4 10422 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [1,1,0,0,0,0|0,0,2]=4 10423 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [1,1,0,0,0,0|0,0,2]=4 10424 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [1,1,0,0,0,0|0,0,2]=4 10425 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [1,1,0,0,0,0|0,0,2]=4 10426 B11R0.3 CC#CCCOCCCCCC 34a_100000750427_100000210314 [1,1,0,0,0,0|1,0,1]=4 10427 B11R0.3 CC#CCNCCCCCCC 2230a_100000229938_100000748600 [1,1,0,0,0,0|1,0,1]=4 10428 B11R0.3 CC#CCNCCCCCCC 2230a_100000685387_100000210681 [1,1,0,0,0,0|1,0,1]=4 10429 B11R0.3 CC#CCNCCCCCCC 34a_100000685387_100000210614 [1,1,0,0,0,0|1,0,1]=4 10430 B11R0.3 CC#CCOCCCCCCC 34a_100000210272_100000748600 [1,1,0,0,0,0|1,0,1]=4 10431 B11R0.3 CC#CCOCCCCCCC 34a_100000761923_100000210614 [1,1,0,0,0,0|1,0,1]=4 10432 B11R0.3 CC#CCOCCCCCCC 7a_100000210272_100000748600 [1,1,0,0,0,0|1,0,1]=4 10433 B11R0.3 CC#CCSCCCCCCC 62a_100000210614_100000748600 [1,1,0,0,0,0|1,0,1]=4 10434 B11R0.3 CC#CCSCCCCCCC 62a_100000748600_100000210316 [1,1,0,0,0,0|1,0,1]=4 10435 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [1,1,0,0,0,0|1,0,1]=4 10436 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [1,1,0,0,0,0|1,0,1]=4 10437 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [1,1,0,0,0,0|1,0,1]=4 10438 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [1,1,0,0,0,0|1,0,1]=4 10439 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [1,1,0,0,0,0|1,0,1]=4 10440 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [1,1,0,0,0,0|1,0,1]=4 10441 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [1,1,0,0,0,0|1,0,1]=4 10442 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [1,1,0,0,0,0|1,0,1]=4 10443 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [1,1,0,0,0,0|1,0,1]=4 10444 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [1,1,0,0,0,0|1,0,1]=4 10445 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [1,1,0,0,0,0|1,0,1]=4 10446 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [1,1,0,0,0,0|1,0,1]=4 10447 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [1,1,0,0,0,0|1,0,1]=4 10448 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [1,1,0,0,0,0|1,0,1]=4 10449 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [1,1,0,0,0,0|1,0,1]=4 10450 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,1,0,0,0,0|1,0,1]=4 10451 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,1,0,0,0,0|1,0,1]=4 10452 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,1,0,0,0,0|1,0,1]=4 10453 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [1,1,0,0,0,0|1,0,1]=4 10454 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [1,1,0,0,0,0|1,0,1]=4 10455 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [1,1,0,0,0,0|2,0,0]=4 10456 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [1,1,0,0,0,0|1,0,0]=3 10457 B11R0.3 CC=CCCCOCCCCF 34a_100020645299_100000729493 [1,1,0,0,0,0|2,0,0]=4 10458 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [1,1,0,0,0,0|2,0,0]=4 10459 B11R0.3 CC=CCCCOCCCOC 34a_100020645299_100000740836 [1,1,0,0,0,0|2,0,0]=4 10460 B11R0.3 CC=CCCCOCCOCC 34a_100020645299_100000210147 [1,1,0,0,0,0|2,0,0]=4 10461 B11R0.3 CC=CCCCOCCSCC 34a_100020645299_100000757381 [1,1,0,0,0,0|2,0,0]=4 10462 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [1,1,0,0,0,0|1,0,0]=3 10463 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [1,1,0,0,0,0|2,0,0]=4 10464 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [1,1,0,0,0,0|2,0,0]=4 10465 B11R0.3 CC=CCNCCCCCOC 2230a_100000747528_100000070051 [1,1,0,0,0,0|2,0,0]=4 10466 B11R0.3 CC=CCNCCCCCOC 34a_100000747528_100000070051 [1,1,0,0,0,0|2,0,0]=4 10467 B11R0.3 CC=CCNCCCOCCC 2230a_100011217757_100000070051 [1,1,0,0,0,0|2,0,0]=4 10468 B11R0.3 CC=CCNCCCOCCC 34a_100011217757_100000070051 [1,1,0,0,0,0|2,0,0]=4 10469 B11R0.3 CC=CCNCCSCCCC 2230a_100025743550_100000070051 [1,1,0,0,0,0|2,0,0]=4 10470 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [1,1,0,0,0,0|2,0,0]=4 10471 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [1,1,0,0,0,0|2,0,0]=4 10472 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [1,1,0,0,0,0|1,0,0]=3 10473 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [1,1,0,0,0,0|1,0,0]=3 10474 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [1,1,0,0,0,0|2,0,0]=4 10475 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [1,1,0,0,0,0|2,0,0]=4 10476 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [1,1,0,0,0,0|2,0,0]=4 10477 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [1,1,0,0,0,0|2,0,0]=4 10478 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [1,1,0,0,0,0|2,0,0]=4 10479 B11R0.3 CC=CCOCCCCCNC 34a_100000722520_100000070051 [1,1,0,0,0,0|2,0,0]=4 10480 B11R0.3 CC=CCOCCOCCCC 34a_100000210238_100000070051 [1,1,0,0,0,0|2,0,0]=4 10481 B11R0.3 CC=CCOCCOCCCC 7a_100000210238_100000070051 [1,1,0,0,0,0|2,0,0]=4 10482 B11R0.3 CC=CCOCCSCCCC 34a_200000230436_100000070051 [1,1,0,0,0,0|2,0,0]=4 10483 B11R0.3 CC=CCOCCSCCCC 7a_200000230436_100000070051 [1,1,0,0,0,0|2,0,0]=4 10484 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [1,1,0,0,0,0|1,0,0]=3 10485 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [1,1,0,0,0,0|1,0,0]=3 10486 B11R0.3 CC=CCSCCCCCCF 62a_100000070051_100015922095 [1,1,0,0,0,0|2,0,0]=4 10487 B11R0.3 CC=CCSCCCCCCF 62a_100015922095_100000070051 [1,1,0,0,0,0|2,0,0]=4 10488 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [1,1,0,0,0,0|2,0,0]=4 10489 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [1,1,0,0,0,0|2,0,0]=4 10490 B11R0.3 CC=CCSCCOCCCC 62a_100000070051_100000743108 [1,1,0,0,0,0|2,0,0]=4 10491 B11R0.3 CC=CCSCCOCCCC 62a_100000743108_100000070051 [1,1,0,0,0,0|2,0,0]=4 10492 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [1,1,0,0,0,0|0,0,2]=4 10493 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [1,1,0,0,0,0|0,0,2]=4 10494 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [1,1,0,0,0,0|0,0,2]=4 10495 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [1,1,0,0,0,0|0,0,2]=4 10496 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [1,1,0,0,0,0|0,0,2]=4 10497 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [1,1,0,0,0,0|0,0,2]=4 10498 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [1,1,0,0,0,0|0,0,2]=4 10499 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [1,1,0,0,0,0|0,0,2]=4 10500 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [1,1,0,0,0,0|0,0,2]=4 10501 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [1,1,0,0,0,0|0,0,2]=4 10502 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [1,1,0,0,0,0|0,0,2]=4 10503 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [1,1,0,0,0,0|0,0,2]=4 10504 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [1,1,0,0,0,0|0,0,2]=4 10505 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [1,1,0,0,0,0|0,0,2]=4 10506 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [1,1,0,0,0,0|0,0,2]=4 10507 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [1,1,0,0,0,0|0,0,2]=4 10508 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [1,1,0,0,0,0|0,0,2]=4 10509 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [1,1,0,0,0,0|0,0,2]=4 10510 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [1,1,0,0,0,0|0,0,2]=4 10511 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [1,1,0,0,0,0|0,0,2]=4 10512 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [1,1,0,0,0,0|0,0,2]=4 10513 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [1,1,0,0,0,0|1,0,1]=4 10514 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [1,1,0,0,0,0|1,0,1]=4 10515 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [1,1,0,0,0,0|1,0,1]=4 10516 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [1,1,0,0,0,0|1,0,1]=4 10517 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [1,1,0,0,0,0|1,0,1]=4 10518 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [1,1,0,0,0,0|1,0,1]=4 10519 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [1,1,0,0,0,0|1,0,1]=4 10520 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [1,1,0,0,0,0|0,0,1]=3 10521 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [1,1,0,0,0,0|0,0,1]=3 10522 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [1,1,0,0,0,0|0,0,1]=3 10523 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [1,1,0,0,0,0|0,0,1]=3 10524 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [1,1,0,0,0,0|0,0,1]=3 10525 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [1,1,0,0,0,0|0,1,1]=4 10526 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [1,1,0,0,0,0|0,1,1]=4 10527 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [1,1,0,0,0,0|1,0,1]=4 10528 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [1,1,0,0,0,0|1,0,1]=4 10529 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [1,1,0,0,0,0|1,0,1]=4 10530 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [1,1,0,0,0,0|1,0,1]=4 10531 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [1,1,0,0,0,0|0,0,1]=3 10532 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [1,1,0,0,0,0|0,0,1]=3 10533 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [1,1,0,0,0,0|0,0,1]=3 10534 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [1,1,0,0,0,0|0,0,1]=3 10535 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [1,1,0,0,0,0|0,0,1]=3 10536 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [1,1,0,0,0,0|0,1,1]=4 10537 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [1,1,0,0,0,0|0,1,1]=4 10538 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [1,1,0,0,0,0|1,0,1]=4 10539 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [1,1,0,0,0,0|1,0,1]=4 10540 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [1,1,0,0,0,0|2,0,0]=4 10541 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [1,1,0,0,0,0|2,0,0]=4 10542 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [1,1,0,0,0,0|2,0,0]=4 10543 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [1,1,0,0,0,0|2,0,0]=4 10544 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [1,1,0,0,0,0|2,0,0]=4 10545 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [1,1,0,0,0,0|2,0,0]=4 10546 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [1,1,0,0,0,0|2,0,0]=4 10547 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [1,1,0,0,0,0|0,0,1]=3 10548 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [1,1,0,0,0,0|0,1,1]=4 10549 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [1,1,0,0,0,0|0,1,1]=4 10550 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [1,1,0,0,0,0|2,0,0]=4 10551 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [1,1,0,0,0,0|1,0,1]=4 10552 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [1,1,0,0,0,0|1,0,1]=4 10553 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [1,1,0,0,0,0|1,0,1]=4 10554 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [1,1,0,0,0,0|2,0,0]=4 10555 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [1,1,0,0,0,0|2,0,0]=4 10556 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [1,1,0,0,0,0|2,0,0]=4 10557 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [1,1,0,0,0,0|2,0,0]=4 10558 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [1,1,0,0,0,0|2,0,0]=4 10559 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [1,1,0,0,0,0|0,1,1]=4 10560 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [1,1,0,0,0,0|1,0,1]=4 10561 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [1,1,0,0,0,0|1,0,1]=4 10562 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [1,1,0,0,0,0|2,0,0]=4 10563 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [1,1,0,0,0,0|2,0,0]=4 10564 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [1,1,0,0,0,0|2,0,0]=4 10565 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [1,1,0,0,0,0|2,0,0]=4 10566 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [1,1,0,0,0,0|0,0,1]=3 10567 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [1,1,0,0,0,0|0,0,1]=3 10568 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [1,1,0,0,0,0|0,1,1]=4 10569 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [1,1,0,0,0,0|0,1,1]=4 10570 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [1,1,0,0,0,0|1,0,1]=4 10571 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [1,1,0,0,0,0|1,0,1]=4 10572 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [1,1,0,0,0,0|1,0,1]=4 10573 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [1,1,0,0,0,0|0,0,1]=3 10574 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [1,1,0,0,0,0|0,0,1]=3 10575 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [1,1,0,0,0,0|0,1,1]=4 10576 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [1,1,0,0,0,0|0,1,1]=4 10577 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [1,1,0,0,0,0|1,0,1]=4 10578 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [1,1,0,0,0,0|1,0,1]=4 10579 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [1,1,0,0,0,0|1,0,1]=4 10580 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [1,1,0,0,0,0|1,0,1]=4 10581 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [1,1,0,0,0,0|0,0,1]=3 10582 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [1,1,0,0,0,0|0,0,1]=3 10583 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [1,1,0,0,0,0|0,0,1]=3 10584 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [1,1,0,0,0,0|1,0,1]=4 10585 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [1,1,0,0,0,0|0,1,1]=4 10586 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [1,1,0,0,0,0|0,1,1]=4 10587 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [1,1,0,0,0,0|0,1,1]=4 10588 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [1,1,0,0,0,0|0,1,1]=4 10589 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [1,1,0,0,0,0|1,0,1]=4 10590 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [1,1,0,0,0,0|1,0,1]=4 10591 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [1,1,0,0,0,0|0,0,1]=3 10592 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [1,1,0,0,0,0|0,0,1]=3 10593 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [1,1,0,0,0,0|0,1,1]=4 10594 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [1,1,0,0,0,0|0,1,1]=4 10595 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [1,1,0,0,0,0|1,0,1]=4 10596 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [1,1,0,0,0,0|1,0,1]=4 10597 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [1,1,0,0,0,0|1,0,1]=4 10598 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [1,1,0,0,0,0|1,0,1]=4 10599 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [1,1,0,0,0,0|0,0,1]=3 10600 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [1,1,0,0,0,0|0,0,1]=3 10601 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [1,1,0,0,0,0|0,1,1]=4 10602 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [1,1,0,0,0,0|1,0,1]=4 10603 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [1,1,0,0,0,0|1,0,1]=4 10604 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [1,1,0,0,0,0|1,0,1]=4 10605 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [1,1,0,0,0,0|2,0,0]=4 10606 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [1,1,0,0,0,0|2,0,0]=4 10607 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [1,1,0,0,0,0|1,0,1]=4 10608 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [1,1,0,0,0,0|1,0,1]=4 10609 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [1,1,0,0,0,0|1,0,1]=4 10610 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [1,1,0,0,0,0|1,0,1]=4 10611 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [1,1,0,0,0,0|1,0,1]=4 10612 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [1,1,0,0,0,0|0,0,1]=3 10613 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [1,1,0,0,0,0|0,0,1]=3 10614 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [1,1,0,0,0,0|0,0,1]=3 10615 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [1,1,0,0,0,0|0,1,1]=4 10616 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [1,1,0,0,0,0|0,1,1]=4 10617 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [1,1,0,0,0,0|1,0,1]=4 10618 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [1,1,0,0,0,0|1,0,1]=4 10619 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [1,1,0,0,0,0|1,0,1]=4 10620 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [1,1,0,0,0,0|1,0,1]=4 10621 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [1,1,0,0,0,0|1,0,1]=4 10622 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [1,1,0,0,0,0|1,0,1]=4 10623 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [1,1,0,0,0,0|1,0,1]=4 10624 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [1,1,0,0,0,0|1,0,1]=4 10625 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [1,1,0,0,0,0|2,0,0]=4 10626 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [1,1,0,0,0,0|2,0,0]=4 10627 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [1,1,0,0,0,0|2,0,0]=4 10628 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [1,1,0,0,0,0|2,0,0]=4 10629 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [1,1,0,0,0,0|1,0,1]=4 10630 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [1,1,0,0,0,0|1,0,1]=4 10631 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [1,1,0,0,0,0|0,0,1]=3 10632 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [1,1,0,0,0,0|0,0,1]=3 10633 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [1,1,0,0,0,0|1,0,1]=4 10634 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [1,1,0,0,0,0|1,0,1]=4 10635 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [1,1,0,0,0,0|2,0,0]=4 10636 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [1,1,0,0,0,0|2,0,0]=4 10637 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [1,1,0,0,0,0|0,0,1]=3 10638 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [1,1,0,0,0,0|1,0,1]=4 10639 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [1,1,0,0,0,0|1,0,1]=4 10640 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [1,1,0,0,0,0|1,0,1]=4 10641 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [1,1,0,0,0,0|1,0,1]=4 10642 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [1,1,0,0,0,0|0,0,1]=3 10643 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [1,1,0,0,0,0|0,0,1]=3 10644 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [1,1,0,0,0,0|0,0,1]=3 10645 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [1,1,0,0,0,0|0,1,1]=4 10646 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [1,1,0,0,0,0|0,1,1]=4 10647 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [1,1,0,0,0,0|1,0,1]=4 10648 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [1,1,0,0,0,0|1,0,1]=4 10649 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [1,1,0,0,0,0|1,0,1]=4 10650 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [1,1,0,0,0,0|1,0,1]=4 10651 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [1,1,0,0,0,0|2,0,0]=4 10652 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [1,1,0,0,0,0|2,0,0]=4 10653 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [1,1,0,0,0,0|0,0,1]=3 10654 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [1,1,0,0,0,0|0,0,1]=3 10655 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [1,1,0,0,0,0|1,0,1]=4 10656 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [1,1,0,0,0,0|1,0,1]=4 10657 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [1,1,0,0,0,0|1,0,1]=4 10658 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [1,1,0,0,0,0|1,0,1]=4 10659 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [1,1,0,0,0,0|0,0,1]=3 10660 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [1,1,0,0,0,0|0,0,1]=3 10661 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [1,1,0,0,0,0|1,0,1]=4 10662 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [1,1,0,0,0,0|1,0,1]=4 10663 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [1,1,0,0,0,0|1,0,1]=4 10664 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [1,1,0,0,0,0|1,0,1]=4 10665 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [1,1,0,0,0,0|1,0,1]=4 10666 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [1,1,0,0,0,0|1,0,1]=4 10667 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [1,1,0,0,0,0|1,0,1]=4 10668 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [1,1,0,0,0,0|1,0,1]=4 10669 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [1,1,0,0,0,0|1,0,1]=4 10670 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [1,1,0,0,0,0|1,0,1]=4 10671 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [1,1,0,0,0,0|1,0,1]=4 10672 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [1,1,0,0,0,0|1,0,1]=4 10673 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [1,1,0,0,0,0|1,0,1]=4 10674 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [1,1,0,0,0,0|1,0,1]=4 10675 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [1,1,0,0,0,0|1,0,1]=4 10676 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [1,1,0,0,0,0|1,0,1]=4 10677 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [1,1,0,0,0,0|1,0,1]=4 10678 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [1,1,0,0,0,0|1,0,1]=4 10679 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [1,1,0,0,0,0|1,0,1]=4 10680 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [1,1,0,0,0,0|1,0,1]=4 10681 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [1,1,0,0,0,0|1,0,1]=4 10682 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [1,1,0,0,0,0|1,0,1]=4 10683 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [1,1,0,0,0,0|1,0,1]=4 10684 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [1,1,0,0,0,0|1,0,1]=4 10685 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [1,1,0,0,0,0|1,0,1]=4 10686 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [1,1,0,0,0,0|1,0,1]=4 10687 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [1,1,0,0,0,0|1,0,1]=4 10688 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [1,1,0,0,0,0|1,0,1]=4 10689 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [1,1,0,0,0,0|1,0,1]=4 10690 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [1,1,0,0,0,0|1,0,1]=4 10691 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [1,1,0,0,0,0|1,0,1]=4 10692 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [1,1,0,0,0,0|1,0,1]=4 10693 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [1,1,0,0,0,0|1,0,1]=4 10694 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [1,1,0,0,0,0|1,0,1]=4 10695 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [1,1,0,0,0,0|1,0,1]=4 10696 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [1,1,0,0,0,0|1,0,1]=4 10697 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [1,1,0,0,0,0|1,0,1]=4 10698 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [1,1,0,0,0,0|0,0,1]=3 10699 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [1,1,0,0,0,0|0,0,1]=3 10700 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [1,1,0,0,0,0|0,0,1]=3 10701 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [1,1,0,0,0,0|1,0,1]=4 10702 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [1,1,0,0,0,0|1,0,1]=4 10703 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [1,1,0,0,0,0|1,0,1]=4 10704 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [1,1,0,0,0,0|1,0,1]=4 10705 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [1,1,0,0,0,0|1,0,1]=4 10706 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [1,1,0,0,0,0|1,0,1]=4 10707 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [1,1,0,0,0,0|1,0,1]=4 10708 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [1,1,0,0,0,0|1,0,1]=4 10709 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [1,1,0,0,0,0|1,0,1]=4 10710 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [1,1,0,0,0,0|1,0,1]=4 10711 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [1,1,0,0,0,0|1,0,1]=4 10712 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [1,1,0,0,0,0|0,0,1]=3 10713 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [1,1,0,0,0,0|0,0,1]=3 10714 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [1,1,0,0,0,0|1,0,1]=4 10715 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [1,1,0,0,0,0|1,0,1]=4 10716 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [1,1,0,0,0,0|1,0,1]=4 10717 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [1,1,0,0,0,0|1,0,1]=4 10718 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [1,1,0,0,0,0|1,0,1]=4 10719 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [1,1,0,0,0,0|2,0,0]=4 10720 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [1,1,0,0,0,0|2,0,0]=4 10721 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [1,1,0,0,0,0|2,0,0]=4 10722 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [1,1,0,0,0,0|1,0,1]=4 10723 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [1,1,0,0,0,0|1,0,1]=4 10724 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [1,1,0,0,0,0|1,0,1]=4 10725 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [1,1,0,0,0,0|1,0,1]=4 10726 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [1,1,0,0,0,0|1,0,1]=4 10727 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [1,1,0,0,0,0|1,0,1]=4 10728 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [1,1,0,0,0,0|1,0,1]=4 10729 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [1,1,0,0,0,0|1,0,1]=4 10730 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [1,1,0,0,0,0|1,0,1]=4 10731 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [1,1,0,0,0,0|1,0,1]=4 10732 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [1,1,0,0,0,0|1,0,1]=4 10733 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [1,1,0,0,0,0|1,0,1]=4 10734 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [1,1,0,0,0,0|1,0,1]=4 10735 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [1,1,0,0,0,0|1,0,1]=4 10736 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [1,1,0,0,0,0|1,0,1]=4 10737 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [1,1,0,0,0,0|1,0,1]=4 10738 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [1,1,0,0,0,0|1,0,1]=4 10739 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [1,1,0,0,0,0|1,0,1]=4 10740 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [1,1,0,0,0,0|1,0,1]=4 10741 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [1,1,0,0,0,0|1,0,1]=4 10742 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [1,1,0,0,0,0|1,0,1]=4 10743 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [1,1,0,0,0,0|1,0,1]=4 10744 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [1,1,0,0,0,0|1,0,1]=4 10745 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [1,1,0,0,0,0|2,0,0]=4 10746 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [1,1,0,0,0,0|2,0,0]=4 10747 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [1,1,0,0,0,0|1,0,1]=4 10748 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [1,1,0,0,0,0|1,0,1]=4 10749 B11R0.3 CCSCCNCCCCOC 2230a_100000106463_100000730899 [1,1,0,0,0,0|1,0,1]=4 10750 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [1,1,0,0,0,0|1,0,1]=4 10751 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [1,1,0,0,0,0|1,0,1]=4 10752 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [1,1,0,0,0,0|1,0,1]=4 10753 B11R0.3 CCSCCSCCCCOC 62a_100000730899_100000757381 [1,1,0,0,0,0|1,0,1]=4 10754 B11R0.3 CCSCCSCCCCOC 62a_100000757381_100000730899 [1,1,0,0,0,0|1,0,1]=4 10755 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [1,1,0,0,0,0|1,0,1]=4 10756 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [1,1,0,0,0,0|1,0,1]=4 10757 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [1,1,0,0,0,0|1,0,1]=4 10758 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [1,1,0,0,0,0|1,0,1]=4 10759 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [1,1,0,0,0,0|1,0,1]=4 10760 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [1,1,0,0,0,0|1,0,1]=4 10761 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [1,1,0,0,0,0|1,0,1]=4 10762 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [1,1,0,0,0,0|0,0,1]=3 10763 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [1,1,0,0,0,0|0,0,1]=3 10764 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [1,1,0,0,0,0|0,0,1]=3 10765 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [1,1,0,0,0,0|0,0,1]=3 10766 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [1,1,0,0,0,0|0,0,1]=3 10767 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [1,1,0,0,0,0|0,0,1]=3 10768 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [1,1,0,0,0,0|1,0,1]=4 10769 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [1,1,0,0,0,0|1,0,1]=4 10770 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [1,1,0,0,0,0|1,0,1]=4 10771 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [1,1,0,0,0,0|1,0,1]=4 10772 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [1,1,0,0,0,0|1,0,1]=4 10773 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [1,1,0,0,0,0|1,0,1]=4 10774 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [1,1,0,0,0,0|1,0,1]=4 10775 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [1,1,0,0,0,0|1,0,1]=4 10776 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [1,1,0,0,0,0|1,0,1]=4 10777 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [1,1,0,0,0,0|1,0,1]=4 10778 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [1,1,0,0,0,0|1,0,1]=4 10779 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [1,1,0,0,0,0|1,0,1]=4 10780 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [1,1,0,0,0,0|1,0,1]=4 10781 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [1,1,0,0,0,0|1,0,1]=4 10782 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [1,1,0,0,0,0|1,0,1]=4 10783 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [1,1,0,0,0,0|1,0,1]=4 10784 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [1,1,0,0,0,0|1,0,1]=4 10785 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [1,1,0,0,0,0|1,0,1]=4 10786 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [1,1,0,0,0,0|1,0,1]=4 10787 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [1,1,0,0,0,0|1,0,1]=4 10788 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [1,1,0,0,0,0|1,0,1]=4 10789 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [1,1,0,0,0,0|1,0,1]=4 10790 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [1,1,0,0,0,0|1,0,1]=4 10791 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [1,1,0,0,0,0|1,0,1]=4 10792 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [1,1,0,0,0,0|1,0,1]=4 10793 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [1,1,0,0,0,0|1,0,1]=4 10794 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [1,1,0,0,0,0|1,0,1]=4 10795 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [1,1,0,0,0,0|1,0,1]=4 10796 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [1,1,0,0,0,0|1,0,1]=4 10797 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [1,1,0,0,0,0|1,0,1]=4 10798 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [1,1,0,0,0,0|1,0,1]=4 10799 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [1,1,0,0,0,0|1,0,1]=4 10800 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [1,1,0,0,0,0|1,0,1]=4 10801 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [1,1,0,0,0,0|1,0,1]=4 10802 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [1,1,0,0,0,0|1,0,1]=4 10803 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [1,1,0,0,0,0|1,0,1]=4 10804 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [1,1,0,0,0,0|1,0,1]=4 10805 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [1,1,0,0,0,0|1,0,1]=4 10806 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [1,1,0,0,0,0|1,0,1]=4 10807 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [1,1,0,0,0,0|1,0,1]=4 10808 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [1,1,0,0,0,0|1,0,1]=4 10809 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [1,1,0,0,0,0|1,0,1]=4 10810 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [1,1,0,0,0,0|1,0,1]=4 10811 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [1,1,0,0,0,0|1,0,1]=4 10812 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [1,1,0,0,0,0|1,0,1]=4 10813 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [1,1,0,0,0,0|1,0,1]=4 10814 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [1,1,0,0,0,0|1,0,1]=4 10815 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [1,1,0,0,0,0|1,0,1]=4 10816 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [1,1,0,0,0,0|1,0,1]=4 10817 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [1,1,0,0,0,0|1,0,1]=4 10818 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [1,1,0,0,0,0|1,0,1]=4 10819 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [1,1,0,0,0,0|1,0,1]=4 10820 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [1,1,0,0,0,0|1,0,1]=4 10821 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [1,1,0,0,0,0|1,0,1]=4 10822 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [1,1,0,0,0,0|1,0,1]=4 10823 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [1,1,0,0,0,0|1,0,1]=4 10824 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [1,1,0,0,0,0|1,0,1]=4 10825 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [1,1,0,0,0,0|1,0,1]=4 10826 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [1,1,0,0,0,0|1,0,1]=4 10827 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [1,1,0,0,0,0|1,0,1]=4 10828 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [1,1,0,0,0,0|1,0,1]=4 10829 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [1,1,0,0,0,0|1,0,1]=4 10830 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [1,1,0,0,0,0|1,0,1]=4 10831 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [1,1,0,0,0,0|1,0,1]=4 10832 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [1,1,0,0,0,0|1,0,1]=4 10833 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [1,1,0,0,0,0|1,0,1]=4 10834 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [1,1,0,0,0,0|1,0,1]=4 10835 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [1,1,0,0,0,0|1,0,1]=4 10836 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [1,1,0,0,0,0|1,0,1]=4 10837 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [1,1,0,0,0,0|1,0,1]=4 10838 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [1,1,0,0,0,0|1,0,1]=4 10839 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [1,1,0,0,0,0|1,0,1]=4 10840 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [1,1,0,0,0,0|1,0,1]=4 10841 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [1,1,0,0,0,0|1,0,1]=4 10842 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [1,1,0,0,0,0|1,0,1]=4 10843 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [1,1,0,0,0,0|1,0,1]=4 10844 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [1,1,0,0,0,0|1,0,1]=4 10845 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [1,1,0,0,0,0|1,0,1]=4 10846 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [1,1,0,0,0,0|1,0,1]=4 10847 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [1,1,0,0,0,0|1,0,1]=4 10848 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [1,1,0,0,0,0|1,0,1]=4 10849 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [1,1,0,0,0,0|1,0,1]=4 10850 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [1,1,0,0,0,0|1,0,1]=4 10851 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [1,1,0,0,0,0|1,0,1]=4 10852 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [1,1,0,0,0,0|1,0,1]=4 10853 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [1,1,0,0,0,0|1,0,1]=4 10854 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [1,1,0,0,0,0|1,0,1]=4 10855 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [1,1,0,0,0,0|1,0,1]=4 10856 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [1,1,0,0,0,0|0,1,1]=4 10857 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [1,1,0,0,0,0|0,1,1]=4 10858 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [1,1,0,0,0,0|1,0,1]=4 10859 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [1,1,0,0,0,0|1,0,1]=4 10860 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [1,1,0,0,0,0|1,0,1]=4 10861 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [1,1,0,0,0,0|1,0,1]=4 10862 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [1,1,0,0,0,0|1,0,1]=4 10863 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [1,1,0,0,0,0|1,0,1]=4 10864 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [1,1,0,0,0,0|1,0,1]=4 10865 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [1,1,0,0,0,0|0,0,1]=3 10866 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [1,1,0,0,0,0|0,0,1]=3 10867 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [1,1,0,0,0,0|0,0,1]=3 10868 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [1,1,0,0,0,0|0,0,1]=3 10869 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [1,1,0,0,0,0|0,0,1]=3 10870 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [1,1,0,0,0,0|0,1,1]=4 10871 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [1,1,0,0,0,0|0,1,1]=4 10872 B11R0.4 C/C=C/C(C)OCCCCCC 34a_200102604097_100000210314 [1,1,0,0,0,0|2,0,0]=4 10873 B11R0.4 C/C=C/CCOCC(C)CCC 34a_100016278192_100011216630 [1,1,0,0,0,0|2,0,0]=4 10874 B11R0.4 C/C=C/COCCC(C)CCC 34a_100011217855_100102629194 [1,1,0,0,0,0|2,0,0]=4 10875 B11R0.4 C/C=C/COCCC(C)CCC 7a_100011217855_100102629194 [1,1,0,0,0,0|2,0,0]=4 10876 B11R0.4 C/C=C/COCC[C@@H](N)CCC 34a_100015193777_100102629194 [1,1,0,0,0,0|2,0,0]=4 10877 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [1,1,0,0,0,0|1,0,1]=4 10878 B11R0.4 CC=CCCCOC(C)CCC 34a_100020645299_100000766640 [1,1,0,0,0,0|2,0,0]=4 10879 B11R0.4 CC=CCOCCC(C)CCC 34a_100011217855_100000070051 [1,1,0,0,0,0|2,0,0]=4 10880 B11R0.4 CC=CCOCCC(C)CCC 7a_100011217855_100000070051 [1,1,0,0,0,0|2,0,0]=4 10881 B11R0.4 CC=CCOCC[C@@H](N)CCC 34a_100015193777_100000070051 [1,1,0,0,0,0|2,0,0]=4 10882 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [1,1,0,0,0,0|0,0,2]=4 10883 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [1,1,0,0,0,0|1,0,1]=4 10884 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [1,1,0,0,0,0|1,0,1]=4 10885 B11R0.4 CCCC(C)CNCCCOC 270004a_100150723488_100000243154 [1,1,0,0,0,0|1,0,1]=4 10886 B11R0.4 CCCC(C)CNCCCOC 34a_100150723488_100011216630 [1,1,0,0,0,0|1,0,1]=4 10887 B11R0.4 CCCC(C)COCCCOC 34a_100000688023_100000740836 [1,1,0,0,0,0|1,0,1]=4 10888 B11R0.4 CCCC(C)COCCCOC 34a_100000740835_100011216630 [1,1,0,0,0,0|1,0,1]=4 10889 B11R0.4 CCCC(C)COCCCOC 7a_100000688023_100000740836 [1,1,0,0,0,0|1,0,1]=4 10890 B11R0.4 CCCC(C)CSCCCOC 62a_100000709357_100011216630 [1,1,0,0,0,0|1,0,1]=4 10891 B11R0.4 CCCC(C)CSCCCOC 62a_100011216630_100000709357 [1,1,0,0,0,0|1,0,1]=4 10892 B11R0.4 CCCC(C)NCCCCOC 2230a_100000741246_100000730899 [1,1,0,0,0,0|1,0,1]=4 10893 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [1,1,0,0,0,0|1,0,1]=4 10894 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [1,1,0,0,0,0|1,0,1]=4 10895 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [1,1,0,0,0,0|1,0,1]=4 10896 B11R0.4 CCCC(C)SCCCCOC 62a_100000730899_100000766640 [1,1,0,0,0,0|1,0,1]=4 10897 B11R0.4 CCCC(C)SCCCCOC 62a_100000766640_100000730899 [1,1,0,0,0,0|1,0,1]=4 10898 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [1,1,0,0,0,0|0,0,2]=4 10899 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [1,1,0,0,0,0|2,0,0]=4 10900 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [1,1,0,0,0,0|2,0,0]=4 10901 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [1,1,0,0,0,0|2,0,0]=4 10902 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [1,1,0,0,0,0|2,0,0]=4 10903 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [1,1,0,0,0,0|2,0,0]=4 10904 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [1,1,0,0,0,0|2,0,0]=4 10905 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [1,1,0,0,0,0|2,0,0]=4 10906 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [1,1,0,0,0,0|1,0,1]=4 10907 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [1,1,0,0,0,0|1,0,1]=4 10908 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [1,1,0,0,0,0|1,0,1]=4 10909 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [1,1,0,0,0,0|1,0,1]=4 10910 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [1,1,0,0,0,0|1,0,1]=4 10911 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [1,1,0,0,0,0|1,0,1]=4 10912 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [1,1,0,0,0,0|1,0,1]=4 10913 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [1,1,0,0,0,0|1,0,1]=4 10914 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [1,1,0,0,0,0|1,0,1]=4 10915 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [1,1,0,0,0,0|1,0,1]=4 10916 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [1,1,0,0,0,0|1,0,1]=4 10917 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [1,1,0,0,0,0|1,0,1]=4 10918 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [1,1,0,0,0,0|1,0,1]=4 10919 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [1,1,0,0,0,0|1,0,1]=4 10920 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [1,1,0,0,0,0|1,0,1]=4 10921 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [1,1,0,0,0,0|1,0,1]=4 10922 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [1,1,0,0,0,0|1,0,1]=4 10923 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [1,1,0,0,0,0|1,0,1]=4 10924 B11R0.4 CCC[C@H](N)COCCCOC 34a_100000732646_100000740836 [1,1,0,0,0,0|1,0,1]=4 10925 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [1,1,0,0,0,0|1,0,1]=4 10926 B11R0.81 C/C=C/CCOC(C)CCCC 34a_100016278192_200011215066 [1,1,0,0,0,0|2,0,0]=4 10927 B11R0.81 C/C=C/CN(C)CCCCCC 269982a_106256046315_100102629194 [1,1,0,0,0,0|2,0,0]=4 10928 B11R0.81 C/C=C/COCC(C)CCCC 34a_100011995851_100102629194 [1,1,0,0,0,0|2,0,0]=4 10929 B11R0.81 C/C=C/COCC(C)CCCC 7a_100011995851_100102629194 [1,1,0,0,0,0|2,0,0]=4 10930 B11R0.81 C/C=C/COC[C@@H](N)CCCC 34a_100011934283_100102629194 [1,1,0,0,0,0|2,0,0]=4 10931 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [1,1,0,0,0,0|1,0,1]=4 10932 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [1,1,0,0,0,0|1,0,1]=4 10933 B11R0.81 CC=CCN(C)CCCCCC 2230a_106256046315_100000070051 [1,1,0,0,0,0|2,0,0]=4 10934 B11R0.81 CC=CCOCC(C)CCCC 34a_100011995851_100000070051 [1,1,0,0,0,0|2,0,0]=4 10935 B11R0.81 CC=CCOCC(C)CCCC 7a_100011995851_100000070051 [1,1,0,0,0,0|2,0,0]=4 10936 B11R0.81 CC=CCOC[C@@H](N)CCCC 34a_100011934283_100000070051 [1,1,0,0,0,0|2,0,0]=4 10937 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [1,1,0,0,0,0|0,0,2]=4 10938 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [1,1,0,0,0,0|0,0,1]=3 10939 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [1,1,0,0,0,0|0,0,1]=3 10940 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [1,1,0,0,0,0|0,0,1]=3 10941 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [1,1,0,0,0,0|0,0,1]=3 10942 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [1,1,0,0,0,0|1,0,1]=4 10943 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [1,1,0,0,0,0|1,0,1]=4 10944 B11R0.81 CCCCC(C)NCCCOC 2230a_100000126638_100000740836 [1,1,0,0,0,0|1,0,1]=4 10945 B11R0.81 CCCCC(C)NCCCOC 270004a_100150723488_100000210087 [1,1,0,0,0,0|1,0,1]=4 10946 B11R0.81 CCCCC(C)NCCCOC 34a_100150723488_200011215066 [1,1,0,0,0,0|1,0,1]=4 10947 B11R0.81 CCCCC(C)OCCCOC 34a_100000687866_100000740836 [1,1,0,0,0,0|1,0,1]=4 10948 B11R0.81 CCCCC(C)OCCCOC 34a_100000740835_200011215066 [1,1,0,0,0,0|1,0,1]=4 10949 B11R0.81 CCCCC(C)OCCCOC 7a_100000687866_100000740836 [1,1,0,0,0,0|1,0,1]=4 10950 B11R0.81 CCCCC(C)SCCCOC 62a_100000709357_200011215066 [1,1,0,0,0,0|1,0,1]=4 10951 B11R0.81 CCCCC(C)SCCCOC 62a_200011215066_100000709357 [1,1,0,0,0,0|1,0,1]=4 10952 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [1,1,0,0,0,0|0,0,2]=4 10953 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [1,1,0,0,0,0|0,0,2]=4 10954 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [1,1,0,0,0,0|0,0,2]=4 10955 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [1,1,0,0,0,0|0,0,1]=3 10956 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [1,1,0,0,0,0|0,0,1]=3 10957 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [1,1,0,0,0,0|0,0,1]=3 10958 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [1,1,0,0,0,0|0,0,1]=3 10959 B11R0.81 CCCCCCC(C)NCOC 2230a_100000210919_100000766300 [1,1,0,0,0,0|1,0,1]=4 10960 B11R0.81 CCCCCCC(C)SCOC 62a_100000766300_100011215978 [1,1,0,0,0,0|1,0,1]=4 10961 B11R0.81 CCCCCCC(C)SCOC 62a_100011215978_100000766300 [1,1,0,0,0,0|1,0,1]=4 10962 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [1,1,0,0,0,0|1,0,1]=4 10963 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [1,1,0,0,0,0|1,0,1]=4 10964 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [1,1,0,0,0,0|1,0,1]=4 10965 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [1,1,0,0,0,0|1,0,1]=4 10966 B11R0.81 CCCCCNC(C)CCOC 270004a_100000209983_100000742357 [1,1,0,0,0,0|1,0,1]=4 10967 B11R0.81 CCCCN(C)CCCCOC 2230a_100000207549_100000730899 [1,1,0,0,0,0|1,0,1]=4 10968 B11R0.81 CCCCN(C)CCCCOC 269982a_100000207549_100000730899 [1,1,0,0,0,0|1,0,1]=4 10969 B11R0.81 CCCC[C@H](N)COCCOC 34a_100011934283_100011201679 [1,1,0,0,0,0|1,0,1]=4 10970 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [1,1,0,0,0,0|2,0,0]=4 10971 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [1,1,0,0,0,0|2,0,0]=4 10972 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [1,1,0,0,0,0|2,0,0]=4 10973 B11R0.140 C/C=C/CSC(C)CCCCC 62a_100102629194_200011218191 [1,1,0,0,0,0|2,0,0]=4 10974 B11R0.140 C/C=C/CSC(C)CCCCC 62a_200011218191_100102629194 [1,1,0,0,0,0|2,0,0]=4 10975 B11R0.140 CC=CCNC(C)CCCCC 2230a_100000211957_100000070051 [1,1,0,0,0,0|2,0,0]=4 10976 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [1,1,0,0,0,0|2,0,0]=4 10977 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [1,1,0,0,0,0|2,0,0]=4 10978 B11R0.140 CC=CCSC(C)CCCCC 62a_100000070051_200011218191 [1,1,0,0,0,0|2,0,0]=4 10979 B11R0.140 CC=CCSC(C)CCCCC 62a_200011218191_100000070051 [1,1,0,0,0,0|2,0,0]=4 10980 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [1,1,0,0,0,0|0,0,2]=4 10981 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [1,1,0,0,0,0|0,0,2]=4 10982 B11R0.140 CCCCCC(C)NCCOC 2230a_100000209980_200011218191 [1,1,0,0,0,0|1,0,1]=4 10983 B11R0.140 CCCCCC(C)NCCOC 2230a_100000211957_100011201679 [1,1,0,0,0,0|1,0,1]=4 10984 B11R0.140 CCCCCC(C)NCCOC 270004a_100000209980_100000211708 [1,1,0,0,0,0|1,0,1]=4 10985 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [1,1,0,0,0,0|1,0,1]=4 10986 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [1,1,0,0,0,0|1,0,1]=4 10987 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [1,1,0,0,0,0|1,0,1]=4 10988 B11R0.140 CCCCCC(C)SCCOC 62a_100000233755_200011218191 [1,1,0,0,0,0|1,0,1]=4 10989 B11R0.140 CCCCCC(C)SCCOC 62a_200011218191_100000233755 [1,1,0,0,0,0|1,0,1]=4 10990 B11R0.140 CCCCCN(C)CCCOC 2230a_100000223495_100000740836 [1,1,0,0,0,0|1,0,1]=4 10991 B11R0.140 CCCCCN(C)CCCOC 2230a_100000224831_100000210326 [1,1,0,0,0,0|1,0,1]=4 10992 B11R0.140 CCCCCN(C)CCCOC 269982a_100000223495_100000740836 [1,1,0,0,0,0|1,0,1]=4 10993 B11R0.140 CCCCCN(C)CCCOC 269982a_100000224831_100000210215 [1,1,0,0,0,0|1,0,1]=4 10994 B11R0.140 CCCCOC(C)CCCOC 34a_200011539412_100000210210 [1,1,0,0,0,0|1,0,1]=4 10995 B11R0.140 CCCCOC(C)CCCOC 7a_200011539412_100000210211 [1,1,0,0,0,0|1,0,1]=4 10996 B11R0.49 CCCCCCCC(C)(C)OC 34a_100138415774_200000046972 [1,1,0,0,0,0|1,0,1]=4 10997 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [1,1,0,0,0,0|1,0,1]=4 10998 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [1,1,0,0,0,0|0,0,1]=3 10999 B11R0.70 CCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210211 [1,1,0,0,0,0|1,0,1]=4 11000 B11R0.70 CCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210183 [1,1,0,0,0,0|1,0,1]=4 11001 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [1,1,0,0,0,0|1,0,0]=3 11002 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [1,1,0,0,0,0|2,0,0]=4 11003 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [1,1,0,0,0,0|1,0,0]=3 11004 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [1,1,0,0,0,0|1,0,0]=3 11005 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [1,1,0,0,0,0|1,0,0]=3 11006 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [1,1,0,0,0,0|1,0,0]=3 11007 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000126638_100000183359 [1,1,0,0,0,0|2,0,0]=4 11008 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000693194_200011215066 [1,1,0,0,0,0|2,0,0]=4 11009 B11R0.70 CCCCC(C)NCC(=O)NC 270004a_100000693194_100000210087 [1,1,0,0,0,0|2,0,0]=4 11010 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [1,1,0,0,0,0|1,0,0]=3 11011 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [1,1,0,0,0,0|2,0,0]=4 11012 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [1,1,0,0,0,0|2,0,0]=4 11013 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000687866_100000183359 [1,1,0,0,0,0|2,0,0]=4 11014 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000750040_200011215066 [1,1,0,0,0,0|2,0,0]=4 11015 B11R0.70 CCCCC(C)OCC(=O)NC 7a_100000687866_100000183359 [1,1,0,0,0,0|2,0,0]=4 11016 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [1,1,0,0,0,0|1,0,0]=3 11017 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [1,1,0,0,0,0|1,0,0]=3 11018 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [1,1,0,0,0,0|2,0,0]=4 11019 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [1,1,0,0,0,0|2,0,0]=4 11020 B11R0.70 CCCCC(C)SCC(=O)NC 62a_100000183359_200011215066 [1,1,0,0,0,0|2,0,0]=4 11021 B11R0.70 CCCCC(C)SCC(=O)NC 62a_200011215066_100000183359 [1,1,0,0,0,0|2,0,0]=4 11022 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [1,1,0,0,0,0|1,0,0]=3 11023 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [1,1,0,0,0,0|1,0,0]=3 11024 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000207549_100000737683 [1,1,0,0,0,0|2,0,0]=4 11025 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000750875_100000210211 [1,1,0,0,0,0|2,0,0]=4 11026 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000207549_100000737683 [1,1,0,0,0,0|2,0,0]=4 11027 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000750875_100000210211 [1,1,0,0,0,0|2,0,0]=4 11028 B11R0.70 CCCCN(C)CCC(=O)OC 2230a_100000207549_100000204255 [1,1,0,0,0,0|1,0,0]=3 11029 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100000207549_100000204255 [1,1,0,0,0,0|1,0,0]=3 11030 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100025711912_100000210211 [1,1,0,0,0,0|1,0,0]=3 11031 B11R0.70 CCCNC(=O)CCC(=O)OC 11a_100020643023_100000187943 [1,1,0,0,0,0|1,0,1]=4 11032 B11R0.70 CCCNC(=O)CCC(=O)OC 1626a_100020643023_100000187943 [1,1,0,0,0,0|1,0,1]=4 11033 B11R0.70 CCCNC(=O)CCC(=O)OC 240690a_100020643023_100000187943 [1,1,0,0,0,0|1,0,1]=4 11034 B11R0.70 CCCNC(=O)CCC(=O)OC 527a_100020643023_100000187943 [1,1,0,0,0,0|1,0,1]=4 11035 B11R0.70 CCNCC(=O)CCC(=O)OC 2230a_100015525214_100000691467 [1,1,0,0,0,0|1,0,1]=4 11036 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [1,1,0,0,0,0|1,0,1]=4 11037 B11R0.70 CCOCC(C)OCC(=O)OC 34a_100000718985_100000747449 [1,1,0,0,0,0|2,0,0]=4 11038 B11R0.70 CCOCC(C)OCC(=O)OC 7a_100000718985_100000747449 [1,1,0,0,0,0|2,0,0]=4 11039 B11R0.70 CCOCN(C)CCC(=O)OC 269982a_100025711912_100000739092 [1,1,0,0,0,0|2,0,0]=4 11040 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000210202_100000691467 [1,1,0,0,0,0|1,0,1]=4 11041 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000691467_100000210202 [1,1,0,0,0,0|1,0,1]=4 11042 B11R0.70 COC(=O)CCC(=O)CCCF 1458a_100000187943_100011934791 [1,1,0,0,0,0|1,0,1]=4 11043 B11R0.70 COC(=O)CCC(=O)CCCO 1458a_100000187943_100011215043 [1,1,0,0,0,0|1,0,1]=4 11044 B11R0.70 COC(=O)CCC(=O)CCSC 1458a_100000187943_100000751147 [1,1,0,0,0,0|1,0,1]=4 11045 B11R0.70 COC(=O)CCN(C)CCCF 269982a_100025711912_100011934791 [1,1,0,0,0,0|2,0,0]=4 11046 B11R0.70 COC(=O)CCN(C)CCCO 2230a_100000213112_100000204255 [1,1,0,0,0,0|2,0,0]=4 11047 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100000213112_100000204255 [1,1,0,0,0,0|2,0,0]=4 11048 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100025711912_100011215043 [1,1,0,0,0,0|2,0,0]=4 11049 B11R0.70 COC(=O)CCN(C)CCSC 2230a_100000686725_100000204255 [1,1,0,0,0,0|2,0,0]=4 11050 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100000686725_100000204255 [1,1,0,0,0,0|2,0,0]=4 11051 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100025711912_100000212216 [1,1,0,0,0,0|2,0,0]=4 11052 B11R0.70 COC(=O)COC(C)CCCCl 34a_200000718107_100000747449 [1,1,0,0,0,0|2,0,0]=4 11053 B11R0.70 COC(=O)COC(C)CCCCl 7a_200000718107_100000747449 [1,1,0,0,0,0|2,0,0]=4 11054 B11R0.70 COCCC(=O)CCC(=O)OC 1458a_100000187943_100000233755 [1,1,0,0,0,0|1,0,1]=4 11055 B11R0.70 COCCN(C)CCC(=O)OC 2230a_100000743101_100000204255 [1,1,0,0,0,0|2,0,0]=4 11056 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100000743101_100000204255 [1,1,0,0,0,0|2,0,0]=4 11057 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100025711912_100000233755 [1,1,0,0,0,0|2,0,0]=4 11058 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [1,1,0,0,0,0|0,0,1]=3 11059 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [1,1,0,0,0,0|0,0,1]=3 11060 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [1,1,0,0,0,0|1,0,1]=4 11061 B11R0.106 CCC(=O)CCOCC(=O)OC 1458a_100000210414_100000090808 [1,1,0,0,0,0|1,0,1]=4 11062 B11R0.106 CCC(=O)COCCC(=O)OC 34a_100000725409_100000742370 [1,1,0,0,0,0|1,0,1]=4 11063 B11R0.106 CCC(=O)COCCC(C)CC 7a_100011215188_100000747405 [1,1,0,0,0,0|2,0,0]=4 11064 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000204255_100000747405 [1,1,0,0,0,0|1,0,1]=4 11065 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000747405_100000204255 [1,1,0,0,0,0|1,0,1]=4 11066 B11R0.106 CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210414 [1,1,0,0,0,0|1,0,1]=4 11067 B11R0.106 CCC(C)CCNCC(=O)NC 2230a_100020591266_100000183359 [1,1,0,0,0,0|2,0,0]=4 11068 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [1,1,0,0,0,0|1,0,0]=3 11069 B11R0.106 CCC(C)CCOCC(=O)NC 7a_100011215188_100000183359 [1,1,0,0,0,0|2,0,0]=4 11070 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [1,1,0,0,0,0|1,0,0]=3 11071 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100000738227_100000748023 [1,1,0,0,0,0|2,0,0]=4 11072 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100020588543_100000737683 [1,1,0,0,0,0|2,0,0]=4 11073 B11R0.106 CCC(C)CNCCC(=O)NC 270004a_100000738227_100000243153 [1,1,0,0,0,0|2,0,0]=4 11074 B11R0.106 CCC(C)CNCCC(=O)NC 34a_100000738227_100000748023 [1,1,0,0,0,0|2,0,0]=4 11075 B11R0.106 CCC(C)CNCCC(=O)OC 2230a_100020588543_100000204255 [1,1,0,0,0,0|1,0,0]=3 11076 B11R0.106 CCC(C)COCCC(=O)NC 34a_100000754576_100000748023 [1,1,0,0,0,0|2,0,0]=4 11077 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000737683_100000748023 [1,1,0,0,0,0|2,0,0]=4 11078 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000748023_100000737683 [1,1,0,0,0,0|2,0,0]=4 11079 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000204255_100000748023 [1,1,0,0,0,0|1,0,0]=3 11080 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000748023_100000204255 [1,1,0,0,0,0|1,0,0]=3 11081 B11R0.106 CCC(C)CSCOC(=O)OC 62a_100000748023_100000139417 [1,1,0,0,0,0|2,0,0]=4 11082 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000209981_100000741757 [1,1,0,0,0,0|2,0,0]=4 11083 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000740002_100000758301 [1,1,0,0,0,0|2,0,0]=4 11084 B11R0.106 CCC(C)NCCCC(=O)NC 34a_100000740002_100011215416 [1,1,0,0,0,0|2,0,0]=4 11085 B11R0.106 CCC(C)NCCCC(=O)OC 2230a_100000209981_100011218270 [1,1,0,0,0,0|1,0,0]=3 11086 B11R0.106 CCC(C)OCCCC(=O)NC 7a_100000210228_100000741757 [1,1,0,0,0,0|2,0,0]=4 11087 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [1,1,0,0,0,0|1,0,0]=3 11088 B11R0.106 CCC(C)OCCNC(=O)OC 34a_100000757965_100011215416 [1,1,0,0,0,0|2,0,0]=4 11089 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [1,1,0,0,0,0|2,0,0]=4 11090 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000741757_100000758301 [1,1,0,0,0,0|2,0,0]=4 11091 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000758301_100000741757 [1,1,0,0,0,0|2,0,0]=4 11092 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100000758301_100011218270 [1,1,0,0,0,0|1,0,0]=3 11093 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100011218270_100000758301 [1,1,0,0,0,0|1,0,0]=3 11094 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100000738227_100011218378 [1,1,0,0,0,0|2,0,0]=4 11095 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100011218483_100000737683 [1,1,0,0,0,0|2,0,0]=4 11096 B11R0.106 CCC(O)CNCCC(=O)NC 34a_100000738227_100011218378 [1,1,0,0,0,0|2,0,0]=4 11097 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [1,1,0,0,0,0|1,0,0]=3 11098 B11R0.106 CCC(O)COCCC(=O)NC 34a_100000754576_100011218378 [1,1,0,0,0,0|2,0,0]=4 11099 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100000737683_100011218378 [1,1,0,0,0,0|2,0,0]=4 11100 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100011218378_100000737683 [1,1,0,0,0,0|2,0,0]=4 11101 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [1,1,0,0,0,0|1,0,0]=3 11102 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [1,1,0,0,0,0|1,0,0]=3 11103 B11R0.106 CCC(O)CSCOC(=O)OC 62a_100011218378_100000139417 [1,1,0,0,0,0|2,0,0]=4 11104 B11R0.106 CCN(C)CCCCC(=O)OC 2230a_100000225621_100000204269 [1,1,0,0,0,0|1,0,0]=3 11105 B11R0.106 CCN(C)CCCCC(=O)OC 269982a_100000225621_100000204269 [1,1,0,0,0,0|1,0,0]=3 11106 B11R0.106 CCN(C)CCOCC(=O)OC 2230a_100000225621_100000090808 [1,1,0,0,0,0|2,0,0]=4 11107 B11R0.106 CC[C@H](C)CNCCC(=O)NC 2230a_100000738227_100009816398 [1,1,0,0,0,0|2,0,0]=4 11108 B11R0.106 CC[C@H](C)CNCCC(=O)NC 34a_100000738227_100009816398 [1,1,0,0,0,0|2,0,0]=4 11109 B11R0.106 CC[C@H](C)COCCC(=O)NC 34a_100000754576_100009816398 [1,1,0,0,0,0|2,0,0]=4 11110 B11R0.106 CC[C@H](C)COCCC(=O)NC 7a_100009816381_100000737683 [1,1,0,0,0,0|2,0,0]=4 11111 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [1,1,0,0,0,0|1,0,0]=3 11112 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100000737683_100009816398 [1,1,0,0,0,0|2,0,0]=4 11113 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100009816398_100000737683 [1,1,0,0,0,0|2,0,0]=4 11114 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100000204255_100009816398 [1,1,0,0,0,0|1,0,0]=3 11115 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100009816398_100000204255 [1,1,0,0,0,0|1,0,0]=3 11116 B11R0.106 CC[C@H](C)CSCOC(=O)OC 62a_100009816398_100000139417 [1,1,0,0,0,0|2,0,0]=4 11117 B11R0.106 CNC(=O)CCCCC(=O)OC 11a_106832991635_100000695723 [1,1,0,0,0,0|1,0,1]=4 11118 B11R0.106 CNC(=O)CCCCC(=O)OC 1626a_100102657272_100000695723 [1,1,0,0,0,0|1,0,1]=4 11119 B11R0.106 CNC(=O)CCCCC(=O)OC 240690a_100102657272_100000695723 [1,1,0,0,0,0|1,0,1]=4 11120 B11R0.106 CNC(=O)CCCCC(=O)OC 527a_100102657272_100000695723 [1,1,0,0,0,0|1,0,1]=4 11121 B11R0.106 COC(=O)CCCCC(=O)CF 1458a_100000695723_100015361967 [1,1,0,0,0,0|1,0,1]=4 11122 B11R0.106 COC(=O)CCCCC(=O)CO 1458a_100000210174_100000204269 [1,1,0,0,0,0|1,0,1]=4 11123 B11R0.106 COC(=O)CCCN[C@H](C)CO 2230a_100000737577_100011218270 [1,1,0,0,0,0|2,0,0]=4 11124 B11R0.106 COC(=O)CCCOC(C)CF 34a_100016041109_100000742333 [1,1,0,0,0,0|2,0,0]=4 11125 B11R0.106 COC(=O)CCCOC(C)CF 7a_100016041109_100011218270 [1,1,0,0,0,0|2,0,0]=4 11126 B11R0.106 COC(=O)CCCOC(C)CN 34a_100000210904_100000742333 [1,1,0,0,0,0|2,0,0]=4 11127 B11R0.106 COC(=O)CCCSC(C)CO 62a_100012180447_100011218270 [1,1,0,0,0,0|2,0,0]=4 11128 B11R0.106 COC(=O)CCCSC(C)OC 62a_100009879195_100011218270 [1,1,0,0,0,0|2,0,0]=4 11129 B11R0.106 COC(=O)CCCSC(C)OC 62a_100011218270_100009879195 [1,1,0,0,0,0|2,0,0]=4 11130 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100011218270_100016084084 [1,1,0,0,0,0|2,0,0]=4 11131 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100016084084_100011218270 [1,1,0,0,0,0|2,0,0]=4 11132 B11R0.106 COC(=O)CCNCC(C)CO 34a_100000744482_100000742370 [1,1,0,0,0,0|2,0,0]=4 11133 B11R0.106 COC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000204255 [1,1,0,0,0,0|2,0,0]=4 11134 B11R0.106 COC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000742370 [1,1,0,0,0,0|2,0,0]=4 11135 B11R0.106 COC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000204255 [1,1,0,0,0,0|2,0,0]=4 11136 B11R0.106 COC(=O)CCOCC(C)CN 34a_100000744482_100000742370 [1,1,0,0,0,0|2,0,0]=4 11137 B11R0.106 COC(=O)CCOCC(C)OC 34a_100000690652_100000742370 [1,1,0,0,0,0|2,0,0]=4 11138 B11R0.106 COC(=O)CCOCC(Cl)CCl 34a_100000033668_100000742370 [1,1,0,0,0,0|2,0,0]=4 11139 B11R0.106 COC(=O)CCOC[C@H](F)CN 34a_100015665980_100000742370 [1,1,0,0,0,0|2,0,0]=4 11140 B11R0.106 COC(=O)CCSCC(O)CO 62a_100000204255_100011219619 [1,1,0,0,0,0|2,0,0]=4 11141 B11R0.106 COC(=O)CCSCC(O)CO 62a_100011219619_100000204255 [1,1,0,0,0,0|2,0,0]=4 11142 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000204255 [1,1,0,0,0,0|2,0,0]=4 11143 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000204255_100000059175 [1,1,0,0,0,0|2,0,0]=4 11144 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100000204255_100015614560 [1,1,0,0,0,0|2,0,0]=4 11145 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000204255 [1,1,0,0,0,0|2,0,0]=4 11146 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100000204255_100009815848 [1,1,0,0,0,0|2,0,0]=4 11147 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000204255 [1,1,0,0,0,0|2,0,0]=4 11148 B11R0.106 COC(=O)CNCCC(C)CO 2230a_106354213184_100000747449 [1,1,0,0,0,0|2,0,0]=4 11149 B11R0.106 COC(=O)CNCCC(C)CO 34a_106354213184_100000747449 [1,1,0,0,0,0|2,0,0]=4 11150 B11R0.106 COC(=O)COCCC(C)OC 7a_100000764861_100000747449 [1,1,0,0,0,0|2,0,0]=4 11151 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [1,1,0,0,0,0|1,0,1]=4 11152 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [1,1,0,0,0,0|1,0,1]=4 11153 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [1,1,0,0,0,0|1,0,1]=4 11154 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [1,1,0,0,0,0|1,0,1]=4 11155 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [1,1,0,0,0,0|1,0,1]=4 11156 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [1,1,0,0,0,0|1,0,1]=4 11157 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [1,1,0,0,0,0|1,0,1]=4 11158 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [1,1,0,0,0,0|1,0,1]=4 11159 B11R0.142 C#CC(=O)C(C)CCCCCC 1458a_100000211873_100011215978 [1,1,0,0,0,0|1,0,1]=4 11160 B11R0.142 C=C(COCCCC)C(=O)OC 34a_100000210227_100009813391 [1,1,0,0,0,0|1,0,1]=4 11161 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100000210211_100009813391 [1,1,0,0,0,0|1,0,1]=4 11162 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100009813391_100000210210 [1,1,0,0,0,0|1,0,1]=4 11163 B11R0.142 C=CC(=O)C(C)CCCCCC 1458a_100000185746_100011215978 [1,1,0,0,0,0|1,0,1]=4 11164 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [1,1,0,0,0,0|1,0,1]=4 11165 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [1,1,0,0,0,0|1,0,0]=3 11166 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [1,1,0,0,0,0|2,0,0]=4 11167 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [1,1,0,0,0,0|1,0,0]=3 11168 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [1,1,0,0,0,0|2,0,0]=4 11169 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [1,1,0,0,0,0|1,0,0]=3 11170 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [1,1,0,0,0,0|2,0,0]=4 11171 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [1,1,0,0,0,0|2,0,0]=4 11172 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [1,1,0,0,0,0|2,0,0]=4 11173 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [1,1,0,0,0,0|2,0,0]=4 11174 B11R0.142 CCCCCCN(C)C(=O)NC 2708a_100102657272_106256046315 [1,1,0,0,0,0|2,0,0]=4 11175 B11R0.142 CCCCCCN(C)C(=O)NC 273464a_100102657272_106256046315 [1,1,0,0,0,0|2,0,0]=4 11176 B11R0.142 CCCCCNC(=O)C(=O)OC 11a_100000209983_100000024059 [1,1,0,0,0,0|1,0,1]=4 11177 B11R0.142 CCCCCNC(=O)C(=O)OC 1626a_100000209983_100000024059 [1,1,0,0,0,0|1,0,1]=4 11178 B11R0.142 CCCCCNC(=O)C(=O)OC 240690a_100000209983_100000024059 [1,1,0,0,0,0|1,0,1]=4 11179 B11R0.142 CCCCCNC(=O)C(=O)OC 527a_100000209983_100000024059 [1,1,0,0,0,0|1,0,1]=4 11180 B11R0.142 CCCCCNC(C)C(=O)CC 2230a_100000209983_100000742827 [1,1,0,0,0,0|2,0,0]=4 11181 B11R0.142 CCCCCNC(C)C(=O)NC 2230a_100000209983_100000731044 [1,1,0,0,0,0|2,0,0]=4 11182 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [1,1,0,0,0,0|1,0,0]=3 11183 B11R0.142 CCCCCNC(F)C(=O)NC 2230a_100000209983_100009813575 [1,1,0,0,0,0|2,0,0]=4 11184 B11R0.142 CCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210326 [1,1,0,0,0,0|2,0,0]=4 11185 B11R0.142 CCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000718602 [1,1,0,0,0,0|2,0,0]=4 11186 B11R0.142 CCCCCOC(C)C(=O)CC 7a_100000210253_100000742827 [1,1,0,0,0,0|2,0,0]=4 11187 B11R0.142 CCCCCOC(C)C(=O)NC 34a_100000210253_100000731044 [1,1,0,0,0,0|2,0,0]=4 11188 B11R0.142 CCCCCOC(C)C(=O)NC 7a_100000210253_100000209862 [1,1,0,0,0,0|2,0,0]=4 11189 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [1,1,0,0,0,0|1,0,0]=3 11190 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [1,1,0,0,0,0|1,0,0]=3 11191 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [1,1,0,0,0,0|1,0,0]=3 11192 B11R0.142 CCCCCOC(F)C(=O)NC 34a_100000210253_100009813575 [1,1,0,0,0,0|2,0,0]=4 11193 B11R0.142 CCCCCOC(F)C(=O)NC 7a_100000210253_100009813575 [1,1,0,0,0,0|2,0,0]=4 11194 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000210326_100000742827 [1,1,0,0,0,0|2,0,0]=4 11195 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000742827_100000210326 [1,1,0,0,0,0|2,0,0]=4 11196 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000209862_100000210326 [1,1,0,0,0,0|2,0,0]=4 11197 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000210326_100000731044 [1,1,0,0,0,0|2,0,0]=4 11198 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [1,1,0,0,0,0|1,0,0]=3 11199 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [1,1,0,0,0,0|1,0,0]=3 11200 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100000210326_100009813575 [1,1,0,0,0,0|2,0,0]=4 11201 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100009813575_100000210326 [1,1,0,0,0,0|2,0,0]=4 11202 B11R0.142 CCCCNCC(C)C(=O)NC 2230a_100015187722_100000210211 [1,1,0,0,0,0|2,0,0]=4 11203 B11R0.142 CCCCNCC(C)C(=O)NC 34a_100015187722_100000210210 [1,1,0,0,0,0|2,0,0]=4 11204 B11R0.142 CCCCOCC(=O)C(=O)OC 34a_100000210227_100011610305 [1,1,0,0,0,0|1,0,1]=4 11205 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [1,1,0,0,0,0|1,0,0]=3 11206 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [1,1,0,0,0,0|1,0,0]=3 11207 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [1,1,0,0,0,0|1,0,0]=3 11208 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [1,1,0,0,0,0|1,0,0]=3 11209 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [1,1,0,0,0,0|1,0,0]=3 11210 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100000210211_100011610305 [1,1,0,0,0,0|1,0,1]=4 11211 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100011610305_100000210210 [1,1,0,0,0,0|1,0,1]=4 11212 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [1,1,0,0,0,0|1,0,0]=3 11213 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [1,1,0,0,0,0|1,0,0]=3 11214 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [1,1,0,0,0,0|1,0,0]=3 11215 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [1,1,0,0,0,0|1,0,0]=3 11216 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [1,1,0,0,0,0|1,0,0]=3 11217 B11R0.142 CCOCCNC(C)C(=O)OC 2230a_102516460346_100000211248 [1,1,0,0,0,0|2,0,0]=4 11218 B11R0.142 CCOCCNC(C)C(=O)OC 34a_102516460346_100000211248 [1,1,0,0,0,0|2,0,0]=4 11219 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100000210136_100000211248 [1,1,0,0,0,0|2,0,0]=4 11220 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100011215400_100000210147 [1,1,0,0,0,0|2,0,0]=4 11221 B11R0.142 CCOCCOC(C)C(=O)OC 7a_100000210136_100000211248 [1,1,0,0,0,0|2,0,0]=4 11222 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000210147_100000211248 [1,1,0,0,0,0|2,0,0]=4 11223 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000211248_100011215890 [1,1,0,0,0,0|2,0,0]=4 11224 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000698445_100000739092 [1,1,0,0,0,0|2,0,0]=4 11225 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000739092_100000698445 [1,1,0,0,0,0|2,0,0]=4 11226 B11R0.142 CCSCCNC(C)C(=O)OC 2230a_100000106463_100000211248 [1,1,0,0,0,0|2,0,0]=4 11227 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100000212035_100000211248 [1,1,0,0,0,0|2,0,0]=4 11228 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100011215400_100000757381 [1,1,0,0,0,0|2,0,0]=4 11229 B11R0.142 CCSCCOC(C)C(=O)OC 7a_100000212035_100000211248 [1,1,0,0,0,0|2,0,0]=4 11230 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000211248_100000757381 [1,1,0,0,0,0|2,0,0]=4 11231 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000757381_100000211248 [1,1,0,0,0,0|2,0,0]=4 11232 B11R0.142 CNCCCOC(C)C(=O)OC 34a_100000213112_100000211248 [1,1,0,0,0,0|2,0,0]=4 11233 B11R0.142 COC(=O)C(C)CCNCCF 34a_100000724931_100000034942 [1,1,0,0,0,0|2,0,0]=4 11234 B11R0.142 COC(=O)C(C)CCNCCO 2230a_100016997473_100000034942 [1,1,0,0,0,0|2,0,0]=4 11235 B11R0.142 COC(=O)C(C)CCNCCO 34a_100016990907_100000034942 [1,1,0,0,0,0|2,0,0]=4 11236 B11R0.142 COC(=O)C(C)CCOCCBr 34a_100000211926_100000034942 [1,1,0,0,0,0|2,0,0]=4 11237 B11R0.142 COC(=O)C(C)CCOCCN 34a_100000210304_100000034942 [1,1,0,0,0,0|2,0,0]=4 11238 B11R0.142 COC(=O)C(C)CCSCCF 62a_100000034942_100011217306 [1,1,0,0,0,0|2,0,0]=4 11239 B11R0.142 COC(=O)C(C)CCSCCF 62a_100011217306_100000034942 [1,1,0,0,0,0|2,0,0]=4 11240 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000034942_100000211926 [1,1,0,0,0,0|2,0,0]=4 11241 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000211926_100000034942 [1,1,0,0,0,0|2,0,0]=4 11242 B11R0.142 COC(=O)C(C)CCSCSC 62a_100000034942_100011218213 [1,1,0,0,0,0|2,0,0]=4 11243 B11R0.142 COC(=O)C(C)CCSCSC 62a_100011218213_100000034942 [1,1,0,0,0,0|2,0,0]=4 11244 B11R0.142 COC(=O)C(C)CNCCCF 34a_100015189416_100000698445 [1,1,0,0,0,0|2,0,0]=4 11245 B11R0.142 COC(=O)C(C)COCCCBr 34a_100011217188_100000698445 [1,1,0,0,0,0|2,0,0]=4 11246 B11R0.142 COC(=O)C(C)COCCCCl 34a_100000230001_100000698445 [1,1,0,0,0,0|2,0,0]=4 11247 B11R0.142 COC(=O)C(C)COCCCF 34a_100000749362_100011934791 [1,1,0,0,0,0|2,0,0]=4 11248 B11R0.142 COC(=O)C(C)COCCCF 34a_100000759539_100000698445 [1,1,0,0,0,0|2,0,0]=4 11249 B11R0.142 COC(=O)C(C)COCCCF 7a_100000749362_100011934791 [1,1,0,0,0,0|2,0,0]=4 11250 B11R0.142 COC(=O)C(C)COCCCN 34a_100000182051_100000698445 [1,1,0,0,0,0|2,0,0]=4 11251 B11R0.142 COC(=O)C(C)COCCCO 34a_100000749362_100000230001 [1,1,0,0,0,0|2,0,0]=4 11252 B11R0.142 COC(=O)C(C)COCCCO 7a_100000749362_100011215043 [1,1,0,0,0,0|2,0,0]=4 11253 B11R0.142 COC(=O)C(C)COCCSC 34a_100000230434_100000698445 [1,1,0,0,0,0|2,0,0]=4 11254 B11R0.142 COC(=O)C(C)COCCSC 34a_100000749362_100000212216 [1,1,0,0,0,0|2,0,0]=4 11255 B11R0.142 COC(=O)C(C)COCCSC 7a_100000749362_100000212216 [1,1,0,0,0,0|2,0,0]=4 11256 B11R0.142 COC(=O)C(C)CSCCCF 62a_100000698445_100011934791 [1,1,0,0,0,0|2,0,0]=4 11257 B11R0.142 COC(=O)C(C)CSCCCF 62a_100011934791_100000698445 [1,1,0,0,0,0|2,0,0]=4 11258 B11R0.142 COC(=O)C(C)CSCCCO 62a_100000698445_100011215043 [1,1,0,0,0,0|2,0,0]=4 11259 B11R0.142 COC(=O)C(C)CSCCCO 62a_100011215043_100000698445 [1,1,0,0,0,0|2,0,0]=4 11260 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000212216_100000698445 [1,1,0,0,0,0|2,0,0]=4 11261 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000698445_100000751147 [1,1,0,0,0,0|2,0,0]=4 11262 B11R0.142 COC(=O)C(C)NCCCCO 2230a_100000750430_100000211248 [1,1,0,0,0,0|2,0,0]=4 11263 B11R0.142 COC(=O)C(C)NCCCCO 34a_100000750430_100000211248 [1,1,0,0,0,0|2,0,0]=4 11264 B11R0.142 COC(=O)C(C)NCCCSC 2230a_100000749238_100000211248 [1,1,0,0,0,0|2,0,0]=4 11265 B11R0.142 COC(=O)C(C)OCCCCBr 34a_100011216708_100000211248 [1,1,0,0,0,0|2,0,0]=4 11266 B11R0.142 COC(=O)C(C)OCCCCCl 34a_100000210776_100000211248 [1,1,0,0,0,0|2,0,0]=4 11267 B11R0.142 COC(=O)C(C)OCCCCCl 7a_100000210776_100000211248 [1,1,0,0,0,0|2,0,0]=4 11268 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011215400_100000729493 [1,1,0,0,0,0|2,0,0]=4 11269 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011995726_100000211248 [1,1,0,0,0,0|2,0,0]=4 11270 B11R0.142 COC(=O)C(C)OCCCCF 7a_100011995726_100000211248 [1,1,0,0,0,0|2,0,0]=4 11271 B11R0.142 COC(=O)C(C)OCCCCI 34a_200012148704_100000211248 [1,1,0,0,0,0|2,0,0]=4 11272 B11R0.142 COC(=O)C(C)OCCCCN 34a_100000750430_100000211248 [1,1,0,0,0,0|2,0,0]=4 11273 B11R0.142 COC(=O)C(C)OCCCCO 34a_100011215400_100011216708 [1,1,0,0,0,0|2,0,0]=4 11274 B11R0.142 COC(=O)C(C)OCCCSC 34a_100000690336_100000211248 [1,1,0,0,0,0|2,0,0]=4 11275 B11R0.142 COC(=O)C(C)OCCCSC 7a_100000690336_100000211248 [1,1,0,0,0,0|2,0,0]=4 11276 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000211248_100000729493 [1,1,0,0,0,0|2,0,0]=4 11277 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000729493_100000211248 [1,1,0,0,0,0|2,0,0]=4 11278 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000210776_100000211248 [1,1,0,0,0,0|2,0,0]=4 11279 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000211248_100000210776 [1,1,0,0,0,0|2,0,0]=4 11280 B11R0.142 COC(=O)C(F)COCCCF 34a_200009849844_100011934791 [1,1,0,0,0,0|2,0,0]=4 11281 B11R0.142 COC(=O)C(F)COCCCO 34a_200009849844_100000230001 [1,1,0,0,0,0|2,0,0]=4 11282 B11R0.142 COC(=O)C(F)COCCSC 34a_200009849844_100000212216 [1,1,0,0,0,0|2,0,0]=4 11283 B11R0.142 COC(=O)[C@H](N)COCCCF 34a_100000003586_100011934791 [1,1,0,0,0,0|2,0,0]=4 11284 B11R0.142 COC(=O)[C@H](N)COCCCO 34a_100000003586_100000230001 [1,1,0,0,0,0|2,0,0]=4 11285 B11R0.142 COC(=O)[C@H](N)COCCSC 34a_100000003586_100000212216 [1,1,0,0,0,0|2,0,0]=4 11286 B11R0.142 COCCCNC(C)C(=O)OC 34a_100150723488_100000211248 [1,1,0,0,0,0|2,0,0]=4 11287 B11R0.142 COCCCOC(C)C(=O)OC 34a_100000740835_100000211248 [1,1,0,0,0,0|2,0,0]=4 11288 B11R0.142 COCCCOC(C)C(=O)OC 34a_100011215400_100000740836 [1,1,0,0,0,0|2,0,0]=4 11289 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000211248_100000709357 [1,1,0,0,0,0|2,0,0]=4 11290 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000709357_100000211248 [1,1,0,0,0,0|2,0,0]=4 11291 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000210237_100000698445 [1,1,0,0,0,0|2,0,0]=4 11292 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000749362_100011201679 [1,1,0,0,0,0|2,0,0]=4 11293 B11R0.142 COCCOCC(C)C(=O)OC 7a_100000749362_100000233755 [1,1,0,0,0,0|2,0,0]=4 11294 B11R0.142 COCCOCC(F)C(=O)OC 34a_200009849844_100011201679 [1,1,0,0,0,0|2,0,0]=4 11295 B11R0.142 COCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011201679 [1,1,0,0,0,0|2,0,0]=4 11296 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000233755_100000698445 [1,1,0,0,0,0|2,0,0]=4 11297 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000698445_100000233755 [1,1,0,0,0,0|2,0,0]=4 11298 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000034942_100000766300 [1,1,0,0,0,0|2,0,0]=4 11299 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000766300_100000034942 [1,1,0,0,0,0|2,0,0]=4 11300 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [1,1,0,0,0,0|1,0,1]=4 11301 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [1,1,0,0,0,0|1,0,1]=4 11302 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [1,1,0,0,0,0|1,0,1]=4 11303 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [1,1,0,0,0,0|0,0,1]=3 11304 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [1,1,0,0,0,0|0,0,1]=3 11305 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [1,1,0,0,0,0|2,0,0]=4 11306 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [1,1,0,0,0,0|2,0,0]=4 11307 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [1,1,0,0,0,0|2,0,0]=4 11308 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [1,1,0,0,0,0|2,0,0]=4 11309 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [1,1,0,0,0,0|2,0,0]=4 11310 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [1,1,0,0,0,0|2,0,0]=4 11311 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [1,1,0,0,0,0|2,0,0]=4 11312 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [1,1,0,0,0,0|2,0,0]=4 11313 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [1,1,0,0,0,0|2,0,0]=4 11314 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [1,1,0,0,0,0|2,0,0]=4 11315 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [1,1,0,0,0,0|2,0,0]=4 11316 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [1,1,0,0,0,0|2,0,0]=4 11317 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [1,1,0,0,0,0|2,0,0]=4 11318 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [1,1,0,0,0,0|2,0,0]=4 11319 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [1,1,0,0,0,0|1,0,0]=3 11320 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [1,1,0,0,0,0|1,0,0]=3 11321 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [1,1,0,0,0,0|1,0,0]=3 11322 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [1,1,0,0,0,0|1,0,1]=4 11323 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [1,1,0,0,0,0|1,0,0]=3 11324 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [1,1,0,0,0,0|1,0,0]=3 11325 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [1,1,0,0,0,0|1,0,0]=3 11326 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [1,1,0,0,0,0|1,0,0]=3 11327 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [1,1,0,0,0,0|1,0,0]=3 11328 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [1,1,0,0,0,0|1,0,0]=3 11329 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [1,1,0,0,0,0|1,0,1]=4 11330 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [1,1,0,0,0,0|1,0,0]=3 11331 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [1,1,0,0,0,0|1,0,1]=4 11332 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [1,1,0,0,0,0|1,0,1]=4 11333 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [1,1,0,0,0,0|1,0,1]=4 11334 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [1,1,0,0,0,0|1,0,0]=3 11335 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [1,1,0,0,0,0|1,0,0]=3 11336 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [1,1,0,0,0,0|1,0,1]=4 11337 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [1,1,0,0,0,0|1,0,1]=4 11338 B11R0.154 CCOCCN(C)CC(=O)OC 2230a_100000198492_100011215890 [1,1,0,0,0,0|2,0,0]=4 11339 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100000739092_100009817358 [1,1,0,0,0,0|2,0,0]=4 11340 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100009817358_100000739092 [1,1,0,0,0,0|2,0,0]=4 11341 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [1,1,0,0,0,0|1,0,1]=4 11342 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [1,1,0,0,0,0|1,0,1]=4 11343 B11R0.154 CCSCCN(C)CC(=O)OC 2230a_100000198492_100000757381 [1,1,0,0,0,0|2,0,0]=4 11344 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [1,1,0,0,0,0|1,0,1]=4 11345 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [1,1,0,0,0,0|1,0,1]=4 11346 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [1,1,0,0,0,0|1,0,1]=4 11347 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [1,1,0,0,0,0|1,0,1]=4 11348 B11R0.154 COC(=O)CC(C)NCCCF 2230a_100015189416_100009817358 [1,1,0,0,0,0|2,0,0]=4 11349 B11R0.154 COC(=O)CC(C)NCCCF 34a_100015189416_100009817358 [1,1,0,0,0,0|2,0,0]=4 11350 B11R0.154 COC(=O)CC(C)NCCSC 2230a_100020590264_100009817358 [1,1,0,0,0,0|2,0,0]=4 11351 B11R0.154 COC(=O)CC(C)OCCCBr 34a_100011217188_100009817358 [1,1,0,0,0,0|2,0,0]=4 11352 B11R0.154 COC(=O)CC(C)OCCCCl 34a_100000230001_100009817358 [1,1,0,0,0,0|2,0,0]=4 11353 B11R0.154 COC(=O)CC(C)OCCCF 34a_100000759539_100009817358 [1,1,0,0,0,0|2,0,0]=4 11354 B11R0.154 COC(=O)CC(C)OCCCN 34a_100000182051_100009817358 [1,1,0,0,0,0|2,0,0]=4 11355 B11R0.154 COC(=O)CC(C)OCCSC 34a_100000230434_100009817358 [1,1,0,0,0,0|2,0,0]=4 11356 B11R0.154 COC(=O)CC(C)OCCSC 7a_100000230434_100009817358 [1,1,0,0,0,0|2,0,0]=4 11357 B11R0.154 COC(=O)CC(C)SCCCF 62a_100009817358_100011934791 [1,1,0,0,0,0|2,0,0]=4 11358 B11R0.154 COC(=O)CC(C)SCCCF 62a_100011934791_100009817358 [1,1,0,0,0,0|2,0,0]=4 11359 B11R0.154 COC(=O)CC(C)SCCCO 62a_100009817358_100011215043 [1,1,0,0,0,0|2,0,0]=4 11360 B11R0.154 COC(=O)CC(C)SCCCO 62a_100011215043_100009817358 [1,1,0,0,0,0|2,0,0]=4 11361 B11R0.154 COC(=O)CC(C)SCCSC 62a_100000212216_100009817358 [1,1,0,0,0,0|2,0,0]=4 11362 B11R0.154 COC(=O)CC(C)SCCSC 62a_100009817358_100000751147 [1,1,0,0,0,0|2,0,0]=4 11363 B11R0.154 COC(=O)CN(C)CCCCF 2230a_100000198492_100000729493 [1,1,0,0,0,0|2,0,0]=4 11364 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000198492_100000210776 [1,1,0,0,0,0|2,0,0]=4 11365 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000717598_100000747449 [1,1,0,0,0,0|2,0,0]=4 11366 B11R0.154 COC(=O)CN(C)CCCCO 269982a_100000717598_100000747449 [1,1,0,0,0,0|2,0,0]=4 11367 B11R0.154 COC(=O)C[C@@H](O)CNCCF 34a_100000724931_100000754131 [1,1,0,0,0,0|2,0,0]=4 11368 B11R0.154 COC(=O)C[C@@H](O)CNCCO 34a_100016990907_100000754131 [1,1,0,0,0,0|2,0,0]=4 11369 B11R0.154 COC(=O)C[C@@H](O)COCCBr 34a_100000211926_100000754131 [1,1,0,0,0,0|2,0,0]=4 11370 B11R0.154 COC(=O)C[C@@H](O)COCCN 34a_100000210304_100000754131 [1,1,0,0,0,0|2,0,0]=4 11371 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100000754131_100011217306 [1,1,0,0,0,0|2,0,0]=4 11372 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100011217306_100000754131 [1,1,0,0,0,0|2,0,0]=4 11373 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000211926_100000754131 [1,1,0,0,0,0|2,0,0]=4 11374 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000754131_100000211926 [1,1,0,0,0,0|2,0,0]=4 11375 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100000754131_100011218213 [1,1,0,0,0,0|2,0,0]=4 11376 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100011218213_100000754131 [1,1,0,0,0,0|2,0,0]=4 11377 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [1,1,0,0,0,0|1,0,1]=4 11378 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [1,1,0,0,0,0|1,0,1]=4 11379 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000198492_100000740836 [1,1,0,0,0,0|2,0,0]=4 11380 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000224831_100000747449 [1,1,0,0,0,0|2,0,0]=4 11381 B11R0.154 COCCCN(C)CC(=O)OC 269982a_100000224831_100000747449 [1,1,0,0,0,0|2,0,0]=4 11382 B11R0.154 COCCNC(C)CC(=O)OC 2230a_100000209980_100009817358 [1,1,0,0,0,0|2,0,0]=4 11383 B11R0.154 COCCOC(C)CC(=O)OC 34a_100000210237_100009817358 [1,1,0,0,0,0|2,0,0]=4 11384 B11R0.154 COCCSC(C)CC(=O)OC 62a_100000233755_100009817358 [1,1,0,0,0,0|2,0,0]=4 11385 B11R0.154 COCCSC(C)CC(=O)OC 62a_100009817358_100000233755 [1,1,0,0,0,0|2,0,0]=4 11386 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000754131_100000766300 [1,1,0,0,0,0|2,0,0]=4 11387 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000766300_100000754131 [1,1,0,0,0,0|2,0,0]=4 11388 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [1,1,0,0,0,0|1,0,1]=4 11389 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [1,1,0,0,0,0|0,0,1]=3 11390 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [1,1,0,0,0,0|0,0,1]=3 11391 B11R0.174 CCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210303 [1,1,0,0,0,0|1,0,1]=4 11392 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747444_100000747449 [1,1,0,0,0,0|1,0,1]=4 11393 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747449_100000747444 [1,1,0,0,0,0|1,0,1]=4 11394 B11R0.174 CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211992 [1,1,0,0,0,0|1,0,1]=4 11395 B11R0.174 CCCC(C)CNCC(=O)NC 2230a_100000693194_100011216630 [1,1,0,0,0,0|2,0,0]=4 11396 B11R0.174 CCCC(C)CNCC(=O)NC 270004a_100000693194_100000243154 [1,1,0,0,0,0|2,0,0]=4 11397 B11R0.174 CCCC(C)COCC(=O)CC 34a_100000725409_100011216630 [1,1,0,0,0,0|2,0,0]=4 11398 B11R0.174 CCCC(C)COCC(=O)CC 7a_100000688023_100000747405 [1,1,0,0,0,0|2,0,0]=4 11399 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000688023_100000183359 [1,1,0,0,0,0|2,0,0]=4 11400 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000750040_100011216630 [1,1,0,0,0,0|2,0,0]=4 11401 B11R0.174 CCCC(C)COCC(=O)NC 7a_100000688023_100000183359 [1,1,0,0,0,0|2,0,0]=4 11402 B11R0.174 CCCC(C)COCC(=O)OC 34a_100000688023_100000747449 [1,1,0,0,0,0|1,0,0]=3 11403 B11R0.174 CCCC(C)COCC(=O)OC 7a_100000688023_100000747449 [1,1,0,0,0,0|1,0,0]=3 11404 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100000747405_100011216630 [1,1,0,0,0,0|2,0,0]=4 11405 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100011216630_100000747405 [1,1,0,0,0,0|2,0,0]=4 11406 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100000183359_100011216630 [1,1,0,0,0,0|2,0,0]=4 11407 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100011216630_100000183359 [1,1,0,0,0,0|2,0,0]=4 11408 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100000747449_100011216630 [1,1,0,0,0,0|1,0,0]=3 11409 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100011216630_100000747449 [1,1,0,0,0,0|1,0,0]=3 11410 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000738227_100000766640 [1,1,0,0,0,0|2,0,0]=4 11411 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000741246_100000737683 [1,1,0,0,0,0|2,0,0]=4 11412 B11R0.174 CCCC(C)NCCC(=O)NC 270004a_100000738227_100000211909 [1,1,0,0,0,0|2,0,0]=4 11413 B11R0.174 CCCC(C)NCCC(=O)NC 34a_100000738227_100000766640 [1,1,0,0,0,0|2,0,0]=4 11414 B11R0.174 CCCC(C)NCCC(=O)OC 2230a_100000741246_100000204255 [1,1,0,0,0,0|1,0,0]=3 11415 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000754576_100000766640 [1,1,0,0,0,0|2,0,0]=4 11416 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000764384_100012179268 [1,1,0,0,0,0|2,0,0]=4 11417 B11R0.174 CCCC(C)OCCC(=O)NC 7a_100000764384_100000737683 [1,1,0,0,0,0|2,0,0]=4 11418 B11R0.174 CCCC(C)OCCC(=O)OC 34a_100000764384_100000742370 [1,1,0,0,0,0|1,0,0]=3 11419 B11R0.174 CCCC(C)OCCC(=O)OC 7a_100000764384_100000204255 [1,1,0,0,0,0|1,0,0]=3 11420 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000737683_100000766640 [1,1,0,0,0,0|2,0,0]=4 11421 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000766640_100000737683 [1,1,0,0,0,0|2,0,0]=4 11422 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000204255_100000766640 [1,1,0,0,0,0|1,0,0]=3 11423 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000766640_100000204255 [1,1,0,0,0,0|1,0,0]=3 11424 B11R0.174 CCCC(C)SCOC(=O)OC 62a_100000766640_100000139417 [1,1,0,0,0,0|2,0,0]=4 11425 B11R0.174 CCCN(C)CCCC(=O)NC 2230a_100000747261_100000741757 [1,1,0,0,0,0|2,0,0]=4 11426 B11R0.174 CCCN(C)CCCC(=O)NC 269982a_100000747261_100000741757 [1,1,0,0,0,0|2,0,0]=4 11427 B11R0.174 CCCN(C)CCCC(=O)OC 2230a_100000747261_100011218270 [1,1,0,0,0,0|1,0,0]=3 11428 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000739225_100000210303 [1,1,0,0,0,0|1,0,0]=3 11429 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000747261_100011218270 [1,1,0,0,0,0|1,0,0]=3 11430 B11R0.174 CCC[C@H](N)COCC(=O)NC 34a_100000732646_100000183359 [1,1,0,0,0,0|2,0,0]=4 11431 B11R0.174 CCC[C@H](N)COCC(=O)OC 34a_100000732646_100000747449 [1,1,0,0,0,0|1,0,0]=3 11432 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [1,1,0,0,0,0|1,0,1]=4 11433 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [1,1,0,0,0,0|1,0,1]=4 11434 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [1,1,0,0,0,0|1,0,1]=4 11435 B11R0.174 COC(=O)CCCC(=O)CCF 1458a_100000239890_100011217306 [1,1,0,0,0,0|1,0,1]=4 11436 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100000239890_100000211926 [1,1,0,0,0,0|1,0,1]=4 11437 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100011216618_100011218270 [1,1,0,0,0,0|1,0,1]=4 11438 B11R0.174 COC(=O)CCCC(=O)CSC 1458a_100000184570_100011218270 [1,1,0,0,0,0|1,0,1]=4 11439 B11R0.174 COC(=O)CCCN(C)CCF 269982a_100000739225_100011217306 [1,1,0,0,0,0|2,0,0]=4 11440 B11R0.174 COC(=O)CCCN(C)CCO 2230a_100000210263_100011218270 [1,1,0,0,0,0|2,0,0]=4 11441 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000210263_100011218270 [1,1,0,0,0,0|2,0,0]=4 11442 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000739225_100000211926 [1,1,0,0,0,0|2,0,0]=4 11443 B11R0.174 COC(=O)CCCN(C)CSC 269982a_100000739225_100011218213 [1,1,0,0,0,0|2,0,0]=4 11444 B11R0.174 COC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000204255 [1,1,0,0,0,0|2,0,0]=4 11445 B11R0.174 COC(=O)CCN[C@H](C)CCO 34a_100000706166_100000742370 [1,1,0,0,0,0|2,0,0]=4 11446 B11R0.174 COC(=O)CCOC(C)CCBr 34a_100012276601_100000742370 [1,1,0,0,0,0|2,0,0]=4 11447 B11R0.174 COC(=O)CCSC(C)CCO 62a_100000204255_100009893172 [1,1,0,0,0,0|2,0,0]=4 11448 B11R0.174 COC(=O)CCSC(C)CCO 62a_100009893172_100000204255 [1,1,0,0,0,0|2,0,0]=4 11449 B11R0.174 COC(=O)COCC(C)CCN 34a_106354213184_100000747449 [1,1,0,0,0,0|2,0,0]=4 11450 B11R0.174 COCC(=O)CCCC(=O)OC 1458a_100000210968_100011218270 [1,1,0,0,0,0|1,0,1]=4 11451 B11R0.174 COCC(C)SCCC(=O)OC 62a_100000204255_100000765312 [1,1,0,0,0,0|2,0,0]=4 11452 B11R0.174 COCC(C)SCCC(=O)OC 62a_100000765312_100000204255 [1,1,0,0,0,0|2,0,0]=4 11453 B11R0.174 COCC(N)COCC(=O)OC 34a_100000724102_100000747449 [1,1,0,0,0,0|2,0,0]=4 11454 B11R0.174 COCC(O)CNCC(=O)OC 2230a_100000756049_100000747449 [1,1,0,0,0,0|2,0,0]=4 11455 B11R0.174 COCC(O)CNCC(=O)OC 34a_100000756049_100000747449 [1,1,0,0,0,0|2,0,0]=4 11456 B11R0.174 COCC(O)CSCC(=O)OC 62a_100000747449_100011215053 [1,1,0,0,0,0|2,0,0]=4 11457 B11R0.174 COCC(O)CSCC(=O)OC 62a_100011215053_100000747449 [1,1,0,0,0,0|2,0,0]=4 11458 B11R0.174 COCN(C)CCCC(=O)OC 269982a_100000739225_100000766300 [1,1,0,0,0,0|2,0,0]=4 11459 B11R0.174 COC[C@@H](C)NCCC(=O)OC 2230a_100000764878_100000204255 [1,1,0,0,0,0|2,0,0]=4 11460 B11R0.174 COC[C@@H](C)OCCC(=O)OC 34a_100011934205_100000742370 [1,1,0,0,0,0|2,0,0]=4 11461 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100000210558_100000184674 [0,2,0,0,0,0|1,0,1]=4 11462 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100011220946_100000210670 [0,2,0,0,0,0|1,0,1]=4 11463 B13R0.2 C#CCC(=O)CCCCCCCCO 1458a_100011220946_100000033203 [0,2,0,0,0,0|1,0,1]=4 11464 B13R0.2 C#CCC(=O)NCCCCCCCC 1626a_100000229939_100011220946 [0,2,0,0,0,0|1,0,1]=4 11465 B13R0.2 C#CCC(=O)NCCCCCCCC 527a_100000229939_100011220946 [0,2,0,0,0,0|1,0,1]=4 11466 B13R0.2 C#CCCCCCCCC(=O)C#CC 1458a_100000763181_100153394163 [0,2,0,0,0,0|1,0,1]=4 11467 B13R0.2 C#CCCCCCCCC(=O)C=CC 1458a_100000210699_100153394163 [0,2,0,0,0,0|1,0,1]=4 11468 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000087357_100000210303 [0,2,0,0,0,0|1,0,1]=4 11469 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000211992_100153394163 [0,2,0,0,0,0|1,0,1]=4 11470 B13R0.2 C#CCCCCCCCC(=O)CCF 1458a_100000087357_100011217306 [0,2,0,0,0,0|1,0,1]=4 11471 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100000087357_100000211926 [0,2,0,0,0,0|1,0,1]=4 11472 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100011216618_100153394163 [0,2,0,0,0,0|1,0,1]=4 11473 B13R0.2 C#CCCCCCCCC(=O)COC 1458a_100000210968_100153394163 [0,2,0,0,0,0|0,0,1]=3 11474 B13R0.2 C#CCCCCCCCC(=O)CSC 1458a_100000184570_100153394163 [0,2,0,0,0,0|0,1,1]=4 11475 B13R0.2 C#CCCCCCCCC(=O)NCC 11a_100015525214_100000087357 [0,2,0,0,0,0|1,0,1]=4 11476 B13R0.2 C#CCCCCCCCC(=O)NCC 240690a_100015525214_100000087357 [0,2,0,0,0,0|1,0,1]=4 11477 B13R0.2 C#CCCCCCCCC(=O)NCC 527a_100015525214_100000087357 [0,2,0,0,0,0|1,0,1]=4 11478 B13R0.2 C#CCCCCCCCC(=O)NNC 22a_100016993582_100000087357 [0,2,0,0,0,0|1,0,1]=4 11479 B13R0.2 C#CCCCCCOCC(=O)OCC 34a_100000766912_100000188475 [0,2,0,0,0,0|0,0,2]=4 11480 B13R0.2 C#CCCCCCOCC(=O)OCC 7a_100000766912_100000188475 [0,2,0,0,0,0|0,0,2]=4 11481 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100000188475_100012094781 [0,2,0,0,0,0|0,0,2]=4 11482 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100012094781_100000188475 [0,2,0,0,0,0|0,0,2]=4 11483 B13R0.2 C#CCCCCNCCC(=O)OCC 2230a_100000706060_100011206558 [0,2,0,0,0,0|0,0,2]=4 11484 B13R0.2 C#CCCCCNCCC(=O)OCC 34a_100000706060_100000765890 [0,2,0,0,0,0|0,0,2]=4 11485 B13R0.2 C#CCCCCOCCC(=O)OCC 34a_100000766709_100000765890 [0,2,0,0,0,0|0,0,2]=4 11486 B13R0.2 C#CCCCCOCCC(=O)OCC 7a_100000766709_100011206558 [0,2,0,0,0,0|0,0,2]=4 11487 B13R0.2 C#CCCCCSCCC(=O)OCC 62a_100000765890_100010269958 [0,2,0,0,0,0|0,0,2]=4 11488 B13R0.2 C#CCCCCSCCC(=O)OCC 62a_100010269958_100000765890 [0,2,0,0,0,0|0,0,2]=4 11489 B13R0.2 C#CCCCNCCCC(=O)OCC 34a_100000718082_100009991533 [0,2,0,0,0,0|0,0,2]=4 11490 B13R0.2 C#CCCCOCCCC(=O)OCC 34a_100000215630_100009991533 [0,2,0,0,0,0|0,0,2]=4 11491 B13R0.2 C#CCCCOCCCC(=O)OCC 7a_100000215630_100011215271 [0,2,0,0,0,0|0,0,2]=4 11492 B13R0.2 C#CCCCOCCCC(=O)OCC 7a_100012001163_100011215417 [0,2,0,0,0,0|0,0,2]=4 11493 B13R0.2 C#CCCCSCCCC(=O)OCC 62a_100009991533_100011215417 [0,2,0,0,0,0|0,0,2]=4 11494 B13R0.2 C#CCCCSCCCC(=O)OCC 62a_100011215417_100009991533 [0,2,0,0,0,0|0,0,2]=4 11495 B13R0.2 C#CCCNCCCCC(=O)OCC 34a_100000755551_100000750268 [0,2,0,0,0,0|0,0,2]=4 11496 B13R0.2 C#CCCOCCCCC(=O)OCC 34a_100011215631_100000750268 [0,2,0,0,0,0|0,0,2]=4 11497 B13R0.2 C#CCCSCCCCC(=O)OCC 62a_100000688953_100000750268 [0,2,0,0,0,0|0,0,2]=4 11498 B13R0.2 C#CCCSCCCCC(=O)OCC 62a_100000750268_100000688953 [0,2,0,0,0,0|0,0,2]=4 11499 B13R0.2 C#CCNCCCCCC(=O)OCC 34a_100000212058_100000755133 [0,2,0,0,0,0|0,0,2]=4 11500 B13R0.2 C#CCOCCCCCC(=O)OCC 34a_100000210247_100000755133 [0,2,0,0,0,0|0,0,2]=4 11501 B13R0.2 C#CCOCCCCCC(=O)OCC 7a_100011214988_100000038162 [0,2,0,0,0,0|0,0,2]=4 11502 B13R0.2 C#CCSCCCCCC(=O)OCC 62a_100000038162_100000755133 [0,2,0,0,0,0|0,0,2]=4 11503 B13R0.2 C/C=C/CCOCCCC(=O)OCC 34a_100016278192_100009991533 [0,2,0,0,0,0|0,0,2]=4 11504 B13R0.2 C/C=C/COCCCCC(=O)OCC 34a_100016270725_100000750268 [0,2,0,0,0,0|0,0,2]=4 11505 B13R0.2 C/C=C/CSCCCCC(=O)OCC 62a_100000750268_100102629194 [0,2,0,0,0,0|0,0,2]=4 11506 B13R0.2 C/C=C/CSCCCCC(=O)OCC 62a_100102629194_100000750268 [0,2,0,0,0,0|0,0,2]=4 11507 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,2,0,0,0,0|1,0,1]=4 11508 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,2,0,0,0,0|1,0,1]=4 11509 B13R0.2 C=CCC(=O)CCCCCCCCO 1458a_100000210193_100000033203 [0,2,0,0,0,0|1,0,1]=4 11510 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,2,0,0,0,0|1,0,1]=4 11511 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,2,0,0,0,0|1,0,1]=4 11512 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,2,0,0,0,0|1,0,1]=4 11513 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,2,0,0,0,0|1,0,1]=4 11514 B13R0.2 C=CCCCCCCCC(=O)C#CC 1458a_100000763181_100012355270 [0,2,0,0,0,0|1,0,1]=4 11515 B13R0.2 C=CCCCCCCCC(=O)C=CC 1458a_100000210699_100012355270 [0,2,0,0,0,0|1,0,1]=4 11516 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,2,0,0,0,0|1,0,1]=4 11517 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,2,0,0,0,0|1,0,1]=4 11518 B13R0.2 C=CCCCCCCCC(=O)CCF 1458a_100011216160_100011217306 [0,2,0,0,0,0|1,0,1]=4 11519 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,2,0,0,0,0|1,0,1]=4 11520 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,2,0,0,0,0|1,0,1]=4 11521 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [0,2,0,0,0,0|0,0,1]=3 11522 B13R0.2 C=CCCCCCCCC(=O)CSC 1458a_100000184570_100012355270 [0,2,0,0,0,0|0,1,1]=4 11523 B13R0.2 C=CCCCCCCCC(=O)NCC 11a_100015525214_100011216160 [0,2,0,0,0,0|1,0,1]=4 11524 B13R0.2 C=CCCCCCCCC(=O)NCC 240690a_100015525214_100011216160 [0,2,0,0,0,0|1,0,1]=4 11525 B13R0.2 C=CCCCCCCCC(=O)NCC 527a_100015525214_100011216160 [0,2,0,0,0,0|1,0,1]=4 11526 B13R0.2 C=CCCCCCCCC(=O)NNC 22a_100016993582_100011216160 [0,2,0,0,0,0|1,0,1]=4 11527 B13R0.2 C=CCCCCCOCC(=O)OCC 34a_100011216702_100000188475 [0,2,0,0,0,0|0,0,2]=4 11528 B13R0.2 C=CCCCCCOCC(=O)OCC 7a_100011216702_100000188475 [0,2,0,0,0,0|0,0,2]=4 11529 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000188475_100000700193 [0,2,0,0,0,0|0,0,2]=4 11530 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000700193_100000188475 [0,2,0,0,0,0|0,0,2]=4 11531 B13R0.2 C=CCCCCNCCC(=O)OCC 2230a_100000703577_100011206558 [0,2,0,0,0,0|0,0,2]=4 11532 B13R0.2 C=CCCCCNCCC(=O)OCC 34a_100000703577_100000765890 [0,2,0,0,0,0|0,0,2]=4 11533 B13R0.2 C=CCCCCOCCC(=O)OCC 34a_100000766645_100000765890 [0,2,0,0,0,0|0,0,2]=4 11534 B13R0.2 C=CCCCCOCCC(=O)OCC 7a_100000766645_100011206558 [0,2,0,0,0,0|0,0,2]=4 11535 B13R0.2 C=CCCCCSCCC(=O)OCC 62a_100000765890_100011215482 [0,2,0,0,0,0|0,0,2]=4 11536 B13R0.2 C=CCCCCSCCC(=O)OCC 62a_100011215482_100000765890 [0,2,0,0,0,0|0,0,2]=4 11537 B13R0.2 C=CCCCNCCCC(=O)OCC 2230a_100000700776_100009991533 [0,2,0,0,0,0|0,0,2]=4 11538 B13R0.2 C=CCCCNCCCC(=O)OCC 34a_100000700776_100009991533 [0,2,0,0,0,0|0,0,2]=4 11539 B13R0.2 C=CCCCOCCCC(=O)OCC 34a_100000758997_100009991533 [0,2,0,0,0,0|0,0,2]=4 11540 B13R0.2 C=CCCCOCCCC(=O)OCC 7a_100000758997_100011215271 [0,2,0,0,0,0|0,0,2]=4 11541 B13R0.2 C=CCCCOCCCC(=O)OCC 7a_100012001163_100000757094 [0,2,0,0,0,0|0,0,2]=4 11542 B13R0.2 C=CCCCSCCCC(=O)OCC 62a_100009991533_100000757094 [0,2,0,0,0,0|0,0,2]=4 11543 B13R0.2 C=CCCCSCCCC(=O)OCC 62a_100011713584_100009991533 [0,2,0,0,0,0|0,0,2]=4 11544 B13R0.2 C=CCCNCCCCC(=O)OCC 2230a_100015191253_100000750268 [0,2,0,0,0,0|0,0,2]=4 11545 B13R0.2 C=CCCOCCCCC(=O)OCC 34a_100011205117_100000750268 [0,2,0,0,0,0|0,0,2]=4 11546 B13R0.2 C=CCCSCCCCC(=O)OCC 62a_100000750268_100000754431 [0,2,0,0,0,0|0,0,2]=4 11547 B13R0.2 C=CCCSCCCCC(=O)OCC 62a_100000754431_100000750268 [0,2,0,0,0,0|0,0,2]=4 11548 B13R0.2 C=CCNCCCCCC(=O)OCC 2230a_100020586998_100000755133 [0,2,0,0,0,0|0,0,2]=4 11549 B13R0.2 C=CCOCCCCCC(=O)OCC 34a_200000210373_100000755133 [0,2,0,0,0,0|0,0,2]=4 11550 B13R0.2 C=CCOCCCCCC(=O)OCC 7a_100011214988_100015514636 [0,2,0,0,0,0|0,0,2]=4 11551 B13R0.2 C=CCSCCCCCC(=O)OCC 62a_100000210623_100000755133 [0,2,0,0,0,0|0,0,2]=4 11552 B13R0.2 C=CCSCCCCCC(=O)OCC 62a_100000755133_100000210623 [0,2,0,0,0,0|0,0,2]=4 11553 B13R0.2 C=COC(=O)CNCCCCCCC 2230a_100000229938_100000036128 [0,2,0,0,0,0|0,0,1]=3 11554 B13R0.2 C=COC(=O)CNCCCCCCO 2230a_100000686447_100000036128 [0,2,0,0,0,0|1,0,1]=4 11555 B13R0.2 C=COC(=O)CNCCCCCCO 34a_100000686447_100000036128 [0,2,0,0,0,0|1,0,1]=4 11556 B13R0.2 C=COC(=O)CNCCCCCOC 2230a_100000747528_100000036128 [0,2,0,0,0,0|1,0,1]=4 11557 B13R0.2 C=COC(=O)CNCCCCCOC 34a_100000747528_100000036128 [0,2,0,0,0,0|1,0,1]=4 11558 B13R0.2 C=COC(=O)CNCCCOCCC 2230a_100011217757_100000036128 [0,2,0,0,0,0|1,0,1]=4 11559 B13R0.2 C=COC(=O)CNCCCOCCC 34a_100011217757_100000036128 [0,2,0,0,0,0|1,0,1]=4 11560 B13R0.2 C=COC(=O)CNCCSCCCC 2230a_100025743550_100000036128 [0,2,0,0,0,0|1,0,1]=4 11561 B13R0.2 C=COC(=O)COCCCCCCBr 34a_100011215345_100000036128 [0,2,0,0,0,0|1,0,1]=4 11562 B13R0.2 C=COC(=O)COCCCCCCC 34a_100000210272_100000036128 [0,2,0,0,0,0|0,0,1]=3 11563 B13R0.2 C=COC(=O)COCCCCCCCl 34a_100000766143_100000036128 [0,2,0,0,0,0|1,0,1]=4 11564 B13R0.2 C=COC(=O)COCCCCCCF 34a_100000732779_100000036128 [0,2,0,0,0,0|1,0,1]=4 11565 B13R0.2 C=COC(=O)COCCCCCCN 34a_100000686447_100000036128 [0,2,0,0,0,0|1,0,1]=4 11566 B13R0.2 C=COC(=O)COCCCCCNC 34a_100000722520_100000036128 [0,2,0,0,0,0|1,0,1]=4 11567 B13R0.2 C=COC(=O)COCCOCCCC 34a_100000210238_100000036128 [0,2,0,0,0,0|1,0,1]=4 11568 B13R0.2 C=COC(=O)COCCSCCCC 34a_200000230436_100000036128 [0,2,0,0,0,0|1,0,1]=4 11569 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000036128_100000210316 [0,2,0,0,0,0|0,0,1]=3 11570 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000210614_100000036128 [0,2,0,0,0,0|0,0,1]=3 11571 B13R0.2 C=COC(=O)CSCCCCCCF 62a_100000036128_100015922095 [0,2,0,0,0,0|1,0,1]=4 11572 B13R0.2 C=COC(=O)CSCCCCCCF 62a_100015922095_100000036128 [0,2,0,0,0,0|1,0,1]=4 11573 B13R0.2 C=COC(=O)CSCCCCCCO 62a_100000036128_100000766143 [0,2,0,0,0,0|1,0,1]=4 11574 B13R0.2 C=COC(=O)CSCCCCCCO 62a_100000766143_100000036128 [0,2,0,0,0,0|1,0,1]=4 11575 B13R0.2 C=COC(=O)CSCCOCCCC 62a_100000036128_100000743108 [0,2,0,0,0,0|1,0,1]=4 11576 B13R0.2 C=COC(=O)CSCCOCCCC 62a_100000743108_100000036128 [0,2,0,0,0,0|1,0,1]=4 11577 B13R0.2 CC#CC(=O)CCCC#CCCCC 1458a_100000763181_200000047210 [0,2,0,0,0,0|1,0,1]=4 11578 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [0,2,0,0,0,0|1,0,0]=3 11579 B13R0.2 CC#CC(=O)CCCCCCCCO 1458a_100000763181_100000033203 [0,2,0,0,0,0|1,0,0]=3 11580 B13R0.2 CC#CCCOCCCC(=O)OCC 34a_100000750427_100009991533 [0,2,0,0,0,0|0,0,2]=4 11581 B13R0.2 CC#CCNCCCCC(=O)OCC 2230a_100000685387_100000750268 [0,2,0,0,0,0|0,0,2]=4 11582 B13R0.2 CC#CCNCCCCC(=O)OCC 34a_100000685387_100000750268 [0,2,0,0,0,0|0,0,2]=4 11583 B13R0.2 CC#CCOCCCCC(=O)OCC 34a_100000761923_100000750268 [0,2,0,0,0,0|0,0,2]=4 11584 B13R0.2 CC#CCSCCCCC(=O)OCC 62a_100000748600_100000750268 [0,2,0,0,0,0|0,0,2]=4 11585 B13R0.2 CC#CCSCCCCC(=O)OCC 62a_100000750268_100000748600 [0,2,0,0,0,0|0,0,2]=4 11586 B13R0.2 CC/C=C/CCCOCC(=O)OCC 34a_100016287902_100000188475 [0,2,0,0,0,0|0,0,2]=4 11587 B13R0.2 CC/C=C/CCCOCC(=O)OCC 7a_100016287902_100000188475 [0,2,0,0,0,0|0,0,2]=4 11588 B13R0.2 CC/C=C\CCOCCC(=O)OCC 34a_100016288707_100000765890 [0,2,0,0,0,0|0,0,2]=4 11589 B13R0.2 CC/C=C\CCOCCC(=O)OCC 7a_100016288707_100011206558 [0,2,0,0,0,0|0,0,2]=4 11590 B13R0.2 CC/C=C\CCSCCC(=O)OCC 62a_100000765890_100015370543 [0,2,0,0,0,0|0,0,2]=4 11591 B13R0.2 CC/C=C\CCSCCC(=O)OCC 62a_100015370543_100000765890 [0,2,0,0,0,0|0,0,2]=4 11592 B13R0.2 CC/C=C\COCCCC(=O)OCC 34a_100016268518_100009991533 [0,2,0,0,0,0|0,0,2]=4 11593 B13R0.2 CC/C=C\COCCCC(=O)OCC 7a_100012001163_100103147603 [0,2,0,0,0,0|0,0,2]=4 11594 B13R0.2 CC/C=C\CSCCCC(=O)OCC 62a_100009991533_100103147603 [0,2,0,0,0,0|0,0,2]=4 11595 B13R0.2 CC/C=C\CSCCCC(=O)OCC 62a_100103147603_100009991533 [0,2,0,0,0,0|0,0,2]=4 11596 B13R0.2 CC=CC(=O)CCCC#CCCCC 1458a_100000210699_200000047210 [0,2,0,0,0,0|1,0,1]=4 11597 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,2,0,0,0,0|1,0,0]=3 11598 B13R0.2 CC=CC(=O)CCCCCCCCO 1458a_100000210699_100000033203 [0,2,0,0,0,0|1,0,0]=3 11599 B13R0.2 CC=CC(=O)NCCCCCCCC 11a_100000229939_100000210699 [0,2,0,0,0,0|1,0,0]=3 11600 B13R0.2 CC=CC(=O)NCCCCCCCC 1626a_100000229939_100000210699 [0,2,0,0,0,0|1,0,0]=3 11601 B13R0.2 CC=CC(=O)NCCCCCCCC 240690a_100000229939_100000210699 [0,2,0,0,0,0|1,0,0]=3 11602 B13R0.2 CC=CC(=O)NCCCCCCCO 240690a_100011996573_100000210699 [0,2,0,0,0,0|2,0,0]=4 11603 B13R0.2 CC=CC(=O)NCCCOCCCC 1626a_200000211371_100000210699 [0,2,0,0,0,0|2,0,0]=4 11604 B13R0.2 CC=CC(=O)NCCCOCCCC 240690a_200000211371_100000210699 [0,2,0,0,0,0|2,0,0]=4 11605 B13R0.2 CC=CCCCOCCC(=O)OCC 34a_100020645299_100000765890 [0,2,0,0,0,0|0,0,2]=4 11606 B13R0.2 CC=CCSCCCCC(=O)OCC 62a_100000070051_100000750268 [0,2,0,0,0,0|0,0,2]=4 11607 B13R0.2 CC=CCSCCCCC(=O)OCC 62a_100000750268_100000070051 [0,2,0,0,0,0|0,0,2]=4 11608 B13R0.2 CCC#CCCOCCC(=O)OCC 34a_100000036655_100000765890 [0,2,0,0,0,0|0,0,2]=4 11609 B13R0.2 CCC#CCCOCCC(=O)OCC 7a_100000036655_100011206558 [0,2,0,0,0,0|0,0,2]=4 11610 B13R0.2 CCC#CCOCCCC(=O)OCC 34a_100000032950_100009991533 [0,2,0,0,0,0|0,0,2]=4 11611 B13R0.2 CCC#CCOCCCC(=O)OCC 7a_100012001163_100009813939 [0,2,0,0,0,0|0,0,2]=4 11612 B13R0.2 CCC#CCSCCCC(=O)OCC 62a_100009813939_100009991533 [0,2,0,0,0,0|0,0,2]=4 11613 B13R0.2 CCC#CCSCCCC(=O)OCC 62a_100009991533_100009813939 [0,2,0,0,0,0|0,0,2]=4 11614 B13R0.2 CCC/C=C/COCCC(=O)OCC 34a_100016278788_100000765890 [0,2,0,0,0,0|0,0,2]=4 11615 B13R0.2 CCC/C=C/COCCC(=O)OCC 7a_100016278788_100011206558 [0,2,0,0,0,0|0,0,2]=4 11616 B13R0.2 CCCC#CCCOCC(=O)OCC 34a_100000042726_100000188475 [0,2,0,0,0,0|0,0,2]=4 11617 B13R0.2 CCCC#CCCOCC(=O)OCC 7a_100000042726_100000188475 [0,2,0,0,0,0|0,0,2]=4 11618 B13R0.2 CCCC#CCOCCC(=O)OCC 34a_100000034806_100000765890 [0,2,0,0,0,0|0,0,2]=4 11619 B13R0.2 CCCC#CCOCCC(=O)OCC 7a_100000034806_100011206558 [0,2,0,0,0,0|0,0,2]=4 11620 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,2,0,0,0,0|1,0,0]=3 11621 B13R0.2 CCCC(=O)CNCCCCCCO 2230a_100000686447_100000747444 [0,2,0,0,0,0|2,0,0]=4 11622 B13R0.2 CCCC(=O)CNCCCCCOC 2230a_100000747528_100000747444 [0,2,0,0,0,0|2,0,0]=4 11623 B13R0.2 CCCC(=O)COCCCCCCBr 7a_100011215345_100000747444 [0,2,0,0,0,0|2,0,0]=4 11624 B13R0.2 CCCC(=O)COCCCCCCCl 7a_100000766143_100000747444 [0,2,0,0,0,0|2,0,0]=4 11625 B13R0.2 CCCC(=O)COCCCCCCF 7a_100000732779_100000747444 [0,2,0,0,0,0|2,0,0]=4 11626 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100000747444_100015922095 [0,2,0,0,0,0|2,0,0]=4 11627 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100015922095_100000747444 [0,2,0,0,0,0|2,0,0]=4 11628 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000747444_100000766143 [0,2,0,0,0,0|2,0,0]=4 11629 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000766143_100000747444 [0,2,0,0,0,0|2,0,0]=4 11630 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,2,0,0,0,0|2,0,0]=4 11631 B13R0.2 CCCC/C=C/COCC(=O)OCC 34a_200016272032_100000188475 [0,2,0,0,0,0|0,0,2]=4 11632 B13R0.2 CCCC/C=C/COCC(=O)OCC 7a_200016272032_100000188475 [0,2,0,0,0,0|0,0,2]=4 11633 B13R0.2 CCCCC#CCCCC(=O)CCC 1458a_100000211992_200000047210 [0,2,0,0,0,0|1,0,1]=4 11634 B13R0.2 CCCCC#CCCCC(=O)CCO 1458a_100011216618_200000047210 [0,2,0,0,0,0|1,0,1]=4 11635 B13R0.2 CCCCC#CCCCC(=O)COC 1458a_100000210968_200000047210 [0,2,0,0,0,0|0,0,1]=3 11636 B13R0.2 CCCCC#CCCCC(=O)CSC 1458a_100000184570_200000047210 [0,2,0,0,0,0|0,1,1]=4 11637 B13R0.2 CCCCC#CCOCC(=O)OCC 34a_200000034558_100000188475 [0,2,0,0,0,0|0,0,2]=4 11638 B13R0.2 CCCCC#CCOCC(=O)OCC 7a_200000034558_100000188475 [0,2,0,0,0,0|0,0,2]=4 11639 B13R0.2 CCCCC/C=C/CCC(=O)CCC 1458a_200015255902_100000210303 [0,2,0,0,0,0|1,0,1]=4 11640 B13R0.2 CCCCC/C=C/CCC(=O)CCF 1458a_200015255902_100011217306 [0,2,0,0,0,0|1,0,1]=4 11641 B13R0.2 CCCCC/C=C/CCC(=O)CCO 1458a_200015255902_100000211926 [0,2,0,0,0,0|1,0,1]=4 11642 B13R0.2 CCCCC/C=C/CCC(=O)NCC 11a_100015525214_200015255902 [0,2,0,0,0,0|1,0,1]=4 11643 B13R0.2 CCCCC/C=C/CCC(=O)NCC 240690a_100015525214_200015255902 [0,2,0,0,0,0|1,0,1]=4 11644 B13R0.2 CCCCC/C=C/CCC(=O)NCC 527a_100015525214_200015255902 [0,2,0,0,0,0|1,0,1]=4 11645 B13R0.2 CCCCC/C=C/CCC(=O)NNC 22a_100016993582_200015255902 [0,2,0,0,0,0|1,0,1]=4 11646 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,2,0,0,0,0|1,0,1]=4 11647 B13R0.2 CCCCCC/C=C/CC(=O)CCF 1458a_100020681715_100011217306 [0,2,0,0,0,0|1,0,1]=4 11648 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,2,0,0,0,0|1,0,1]=4 11649 B13R0.2 CCCCCC/C=C/CC(=O)NCC 11a_100015525214_100020681715 [0,2,0,0,0,0|1,0,1]=4 11650 B13R0.2 CCCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020681715 [0,2,0,0,0,0|1,0,1]=4 11651 B13R0.2 CCCCCC/C=C/CC(=O)NNC 22a_100016993582_100020681715 [0,2,0,0,0,0|1,0,1]=4 11652 B13R0.2 CCCCCCC=NNC(=O)COC 4a_100000216845_100000234349 [0,2,0,0,0,0|1,0,1]=4 11653 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,2,0,0,0,0|1,0,1]=4 11654 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,2,0,0,0,0|1,0,1]=4 11655 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,2,0,0,0,0|1,0,1]=4 11656 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,2,0,0,0,0|1,0,1]=4 11657 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,2,0,0,0,0|1,0,1]=4 11658 B13R0.2 CCCCCCCC=CC(=O)NNC 22a_100016993582_200015332781 [0,2,0,0,0,0|1,0,1]=4 11659 B13R0.2 CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210670 [0,2,0,0,0,0|1,0,1]=4 11660 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [0,2,0,0,0,0|1,0,1]=4 11661 B13R0.2 CCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210670 [0,2,0,0,0,0|1,0,1]=4 11662 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,2,0,0,0,0|1,0,1]=4 11663 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,2,0,0,0,0|1,0,1]=4 11664 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,2,0,0,0,0|1,0,0]=3 11665 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,2,0,0,0,0|1,0,0]=3 11666 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,2,0,0,0,0|1,0,0]=3 11667 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,2,0,0,0,0|1,0,0]=3 11668 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,2,0,0,0,0|1,0,0]=3 11669 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,2,0,0,0,0|0,0,0]=2 11670 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,2,0,0,0,0|0,1,0]=3 11671 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,2,0,0,0,0|1,0,0]=3 11672 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,2,0,0,0,0|1,0,0]=3 11673 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,2,0,0,0,0|1,0,0]=3 11674 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [0,2,0,0,0,0|1,0,0]=3 11675 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,2,0,0,0,0|1,0,1]=4 11676 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,2,0,0,0,0|1,0,1]=4 11677 B13R0.2 CCCCCCCCCC(C)OCF 34a_100011218016_100015361967 [0,2,0,0,0,0|1,0,1]=4 11678 B13R0.2 CCCCCCCCCC(C)OCF 7a_100011218016_100015361967 [0,2,0,0,0,0|1,0,1]=4 11679 B13R0.2 CCCCCCCCCN(C)COC 2230a_100000232482_100000766300 [0,2,0,0,0,0|2,0,0]=4 11680 B13R0.2 CCCCCCCCCN(C)COC 269982a_100000232482_100000766300 [0,2,0,0,0,0|2,0,0]=4 11681 B13R0.2 CCCCCCCCNC(=O)C=CBr 1626a_100000229939_100016273825 [0,2,0,0,0,0|1,0,1]=4 11682 B13R0.2 CCCCCCCCNC(=O)C=CBr 240690a_100000229939_100016273825 [0,2,0,0,0,0|1,0,1]=4 11683 B13R0.2 CCCCCCCCNC(=O)C=CCl 11a_100000229939_200016279998 [0,2,0,0,0,0|1,0,1]=4 11684 B13R0.2 CCCCCCCCNC(=O)C=CCl 1626a_100000229939_200016279998 [0,2,0,0,0,0|1,0,1]=4 11685 B13R0.2 CCCCCCCCNC(=O)C=CCl 240690a_100000229939_200016279998 [0,2,0,0,0,0|1,0,1]=4 11686 B13R0.2 CCCCCCCCNC(=O)C=CI 1626a_100000229939_100016256311 [0,2,0,0,0,0|1,0,1]=4 11687 B13R0.2 CCCCCCCCNC(=O)CC#N 1626a_100000229939_100051588842 [0,2,0,0,0,0|1,0,1]=4 11688 B13R0.2 CCCCCCCCNC(=O)CC#N 240690a_100000229939_100051588842 [0,2,0,0,0,0|1,0,1]=4 11689 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 11690 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 11691 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 11692 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 11693 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,2,0,0,0,0|1,0,0]=3 11694 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,2,0,0,0,0|0,0,0]=2 11695 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,2,0,0,0,0|0,0,0]=2 11696 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,2,0,0,0,0|0,0,0]=2 11697 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,2,0,0,0,0|0,0,0]=2 11698 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,2,0,0,0,0|0,1,0]=3 11699 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,2,0,0,0,0|0,1,0]=3 11700 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,2,0,0,0,0|0,1,0]=3 11701 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,2,0,0,0,0|0,1,0]=3 11702 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,2,0,0,0,0|1,0,0]=3 11703 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,2,0,0,0,0|1,0,0]=3 11704 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,2,0,0,0,0|1,0,0]=3 11705 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,2,0,0,0,0|1,0,0]=3 11706 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,2,0,0,0,0|1,0,0]=3 11707 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,2,0,0,0,0|1,0,0]=3 11708 B13R0.2 CCCCCCCCNC(=O)NNC 273464a_100000229939_100016993582 [0,2,0,0,0,0|1,0,0]=3 11709 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100000229939_100016993582 [0,2,0,0,0,0|1,0,0]=3 11710 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100016993582_100000229939 [0,2,0,0,0,0|1,0,0]=3 11711 B13R0.2 CCCCCCCCNC(C)COC 2230a_100000229939_100000765312 [0,2,0,0,0,0|1,0,1]=4 11712 B13R0.2 CCCCCCCCNC(C)COC 270004a_100000229939_100000749346 [0,2,0,0,0,0|1,0,1]=4 11713 B13R0.2 CCCCCCCCNC(C)COC 34a_100000229939_100000765312 [0,2,0,0,0,0|1,0,1]=4 11714 B13R0.2 CCCCCCCCN[C@H](C)COC 2230a_100000764878_100000210759 [0,2,0,0,0,0|1,0,1]=4 11715 B13R0.2 CCCCCCCCOC(C)COC 34a_100000210232_100000765312 [0,2,0,0,0,0|1,0,1]=4 11716 B13R0.2 CCCCCCCCOC(C)COC 7a_100000210232_100000765312 [0,2,0,0,0,0|1,0,1]=4 11717 B13R0.2 CCCCCCCCO[C@H](C)COC 34a_100011934205_100000210759 [0,2,0,0,0,0|1,0,1]=4 11718 B13R0.2 CCCCCCCCSC(C)COC 62a_100000210759_100000765312 [0,2,0,0,0,0|1,0,1]=4 11719 B13R0.2 CCCCCCCCSC(C)COC 62a_100000765312_100000210317 [0,2,0,0,0,0|1,0,1]=4 11720 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,2,0,0,0,0|1,0,0]=3 11721 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,2,0,0,0,0|1,0,0]=3 11722 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,2,0,0,0,0|1,0,0]=3 11723 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [0,2,0,0,0,0|1,0,0]=3 11724 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,2,0,0,0,0|0,0,0]=2 11725 B13R0.2 CCCCCCCNCC(O)COC 2230a_100000756049_100000210681 [0,2,0,0,0,0|0,0,2]=4 11726 B13R0.2 CCCCCCCNCC(O)COC 34a_100000756049_100000210614 [0,2,0,0,0,0|0,0,2]=4 11727 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,2,0,0,0,0|1,0,0]=3 11728 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,2,0,0,0,0|1,0,0]=3 11729 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,2,0,0,0,0|1,0,0]=3 11730 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,2,0,0,0,0|1,0,0]=3 11731 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,2,0,0,0,0|1,0,0]=3 11732 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,2,0,0,0,0|0,0,0]=2 11733 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,2,0,0,0,0|0,0,0]=2 11734 B13R0.2 CCCCCCCOCC(N)COC 34a_100000724102_100000210614 [0,2,0,0,0,0|1,0,1]=4 11735 B13R0.2 CCCCCCCOCC(O)COC 34a_100000210272_100011215053 [0,2,0,0,0,0|0,0,2]=4 11736 B13R0.2 CCCCCCCOCC(O)COC 7a_100000210272_100011215053 [0,2,0,0,0,0|0,0,2]=4 11737 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,2,0,0,0,0|1,0,0]=3 11738 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,2,0,0,0,0|1,0,0]=3 11739 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,2,0,0,0,0|1,0,0]=3 11740 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,2,0,0,0,0|1,0,0]=3 11741 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [0,2,0,0,0,0|1,0,0]=3 11742 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [0,2,0,0,0,0|1,0,0]=3 11743 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,2,0,0,0,0|0,0,0]=2 11744 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,2,0,0,0,0|0,0,0]=2 11745 B13R0.2 CCCCCCCSCC(O)COC 62a_100000210614_100011215053 [0,2,0,0,0,0|0,0,2]=4 11746 B13R0.2 CCCCCCCSCC(O)COC 62a_100011215053_100000210316 [0,2,0,0,0,0|0,0,2]=4 11747 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,2,0,0,0,0|1,0,0]=3 11748 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,2,0,0,0,0|1,0,0]=3 11749 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,2,0,0,0,0|0,0,0]=2 11750 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,2,0,0,0,0|2,0,0]=4 11751 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,2,0,0,0,0|1,0,0]=3 11752 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,2,0,0,0,0|0,0,0]=2 11753 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,2,0,0,0,0|0,0,0]=2 11754 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,2,0,0,0,0|2,0,0]=4 11755 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,2,0,0,0,0|1,0,0]=3 11756 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,2,0,0,0,0|1,0,0]=3 11757 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,2,0,0,0,0|0,0,0]=2 11758 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,2,0,0,0,0|0,0,0]=2 11759 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,2,0,0,0,0|2,0,0]=4 11760 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,2,0,0,0,0|1,0,0]=3 11761 B13R0.2 CCCCCNC/C=C/C(=O)OCC 2230a_100000209983_100016267167 [0,2,0,0,0,0|0,0,2]=4 11762 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,2,0,0,0,0|0,0,0]=2 11763 B13R0.2 CCCCCOC/C=C/C(=O)OCC 34a_100000210253_100016267167 [0,2,0,0,0,0|0,0,2]=4 11764 B13R0.2 CCCCCOC/C=C/C(=O)OCC 7a_100000210253_100016267167 [0,2,0,0,0,0|0,0,2]=4 11765 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,2,0,0,0,0|0,0,0]=2 11766 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,2,0,0,0,0|0,0,0]=2 11767 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,2,0,0,0,0|0,0,0]=2 11768 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,2,0,0,0,0|1,0,0]=3 11769 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,2,0,0,0,0|1,0,0]=3 11770 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100000210326_100016267167 [0,2,0,0,0,0|0,0,2]=4 11771 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210326 [0,2,0,0,0,0|0,0,2]=4 11772 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,2,0,0,0,0|0,0,0]=2 11773 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,2,0,0,0,0|0,0,0]=2 11774 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,2,0,0,0,0|1,0,0]=3 11775 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,2,0,0,0,0|0,0,0]=2 11776 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,2,0,0,0,0|0,0,0]=2 11777 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,2,0,0,0,0|1,0,0]=3 11778 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,2,0,0,0,0|1,0,0]=3 11779 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,2,0,0,0,0|0,0,0]=2 11780 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,2,0,0,0,0|0,0,0]=2 11781 B13R0.2 CCCCOCCCNC(=O)CCC 1626a_200000211371_100000211992 [0,2,0,0,0,0|2,0,0]=4 11782 B13R0.2 CCCCOCCCNC(=O)CCC 240690a_200000211371_100000211992 [0,2,0,0,0,0|2,0,0]=4 11783 B13R0.2 CCCCOCCCNC(=O)CCC 527a_200000211371_100000211992 [0,2,0,0,0,0|2,0,0]=4 11784 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,2,0,0,0,0|2,0,0]=4 11785 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,2,0,0,0,0|1,0,0]=3 11786 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,2,0,0,0,0|1,0,0]=3 11787 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,2,0,0,0,0|1,0,0]=3 11788 B13R0.2 CCCCOCCCNC(=O)CSC 1626a_200000211371_100000184570 [0,2,0,0,0,0|1,1,0]=4 11789 B13R0.2 CCCCOCCCNC(=O)CSC 240690a_200000211371_100000184570 [0,2,0,0,0,0|1,1,0]=4 11790 B13R0.2 CCCCOCCCNC(=O)CSC 527a_200000211371_100000184570 [0,2,0,0,0,0|1,1,0]=4 11791 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [0,2,0,0,0,0|2,0,0]=4 11792 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [0,2,0,0,0,0|2,0,0]=4 11793 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [0,2,0,0,0,0|2,0,0]=4 11794 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [0,2,0,0,0,0|2,0,0]=4 11795 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [0,2,0,0,0,0|2,0,0]=4 11796 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [0,2,0,0,0,0|2,0,0]=4 11797 B13R0.2 CCCCOCCCNC(=O)NNC 273464a_200000211371_100016993582 [0,2,0,0,0,0|2,0,0]=4 11798 B13R0.2 CCCCOCCCNC(=O)NNC 512a_100016993582_200000211371 [0,2,0,0,0,0|2,0,0]=4 11799 B13R0.2 CCCCOCCCNC(=O)NNC 512a_200000211371_100016993582 [0,2,0,0,0,0|2,0,0]=4 11800 B13R0.2 CCCCOCCNCC(=O)NCC 2230a_100016988866_100000743108 [0,2,0,0,0,0|2,0,0]=4 11801 B13R0.2 CCCCOCCOCC(=O)CCC 1458a_100011216887_100000210303 [0,2,0,0,0,0|2,0,0]=4 11802 B13R0.2 CCCCOCCOCC(=O)CCC 7a_100000210238_100000747444 [0,2,0,0,0,0|2,0,0]=4 11803 B13R0.2 CCCCOCCOCC(=O)CCF 1458a_100011216887_100011217306 [0,2,0,0,0,0|2,0,0]=4 11804 B13R0.2 CCCCOCCOCC(=O)CCO 1458a_100011216887_100000211926 [0,2,0,0,0,0|2,0,0]=4 11805 B13R0.2 CCCCOCCOCC(=O)NCC 11a_100015525214_100011216887 [0,2,0,0,0,0|2,0,0]=4 11806 B13R0.2 CCCCOCCOCC(=O)NCC 240690a_100015525214_100011216887 [0,2,0,0,0,0|2,0,0]=4 11807 B13R0.2 CCCCOCCOCC(=O)NCC 34a_100000210238_100000183381 [0,2,0,0,0,0|2,0,0]=4 11808 B13R0.2 CCCCOCCOCC(=O)NCC 527a_100015525214_100011216887 [0,2,0,0,0,0|2,0,0]=4 11809 B13R0.2 CCCCOCCOCC(=O)NCC 7a_100000210238_100000183381 [0,2,0,0,0,0|2,0,0]=4 11810 B13R0.2 CCCCOCCOCC(=O)NCO 34a_100000210238_100000185155 [0,2,0,0,0,0|2,0,0]=4 11811 B13R0.2 CCCCOCCOCC(=O)NCO 7a_100000210238_100000185155 [0,2,0,0,0,0|2,0,0]=4 11812 B13R0.2 CCCCOCCOCC(=O)NNC 22a_100016993582_100011216887 [0,2,0,0,0,0|2,0,0]=4 11813 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,2,0,0,0,0|1,0,0]=3 11814 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,2,0,0,0,0|1,0,0]=3 11815 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,2,0,0,0,0|1,0,0]=3 11816 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,2,0,0,0,0|1,0,0]=3 11817 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000743108_100000747444 [0,2,0,0,0,0|2,0,0]=4 11818 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000747444_100000743108 [0,2,0,0,0,0|2,0,0]=4 11819 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000183381_100000743108 [0,2,0,0,0,0|2,0,0]=4 11820 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000743108_100000183381 [0,2,0,0,0,0|2,0,0]=4 11821 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000185155_100000743108 [0,2,0,0,0,0|2,0,0]=4 11822 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000743108_100000185155 [0,2,0,0,0,0|2,0,0]=4 11823 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000188475_100000743108 [0,2,0,0,0,0|1,0,0]=3 11824 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000743108_100000188475 [0,2,0,0,0,0|1,0,0]=3 11825 B13R0.2 CCCCOCCSCC(=O)OCC 7a_200000230590_100000210211 [0,2,0,0,0,0|1,0,0]=3 11826 B13R0.2 CCCCOCNCCC(=O)NCC 34a_100025743525_100011995733 [0,2,0,0,0,0|2,0,0]=4 11827 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100000737597_100011995733 [0,2,0,0,0,0|2,0,0]=4 11828 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100011995733_100000737597 [0,2,0,0,0,0|2,0,0]=4 11829 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100000765890_100011995733 [0,2,0,0,0,0|1,0,0]=3 11830 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100011995733_100000765890 [0,2,0,0,0,0|1,0,0]=3 11831 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,2,0,0,0,0|2,0,0]=4 11832 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,2,0,0,0,0|0,0,0]=2 11833 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,2,0,0,0,0|0,0,0]=2 11834 B13R0.2 CCCCSCCNCC(=O)CCC 2230a_100025743550_100000747444 [0,2,0,0,0,0|2,0,0]=4 11835 B13R0.2 CCCCSCCNCC(=O)NCC 2230a_100025743550_100000183381 [0,2,0,0,0,0|2,0,0]=4 11836 B13R0.2 CCCCSCCNCC(=O)NCO 2230a_100025743550_100000185155 [0,2,0,0,0,0|2,0,0]=4 11837 B13R0.2 CCCCSCCNCC(=O)OCC 2230a_100025743550_100000188475 [0,2,0,0,0,0|1,0,0]=3 11838 B13R0.2 CCCCSCCOCC(=O)CCC 7a_200000230436_100000747444 [0,2,0,0,0,0|2,0,0]=4 11839 B13R0.2 CCCCSCCOCC(=O)NCC 34a_200000230436_100000183381 [0,2,0,0,0,0|2,0,0]=4 11840 B13R0.2 CCCCSCCOCC(=O)NCC 7a_200000230436_100000183381 [0,2,0,0,0,0|2,0,0]=4 11841 B13R0.2 CCCCSCCOCC(=O)NCO 34a_200000230436_100000185155 [0,2,0,0,0,0|2,0,0]=4 11842 B13R0.2 CCCCSCCOCC(=O)NCO 7a_200000230436_100000185155 [0,2,0,0,0,0|2,0,0]=4 11843 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,2,0,0,0,0|1,0,0]=3 11844 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,2,0,0,0,0|1,0,0]=3 11845 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,2,0,0,0,0|1,0,0]=3 11846 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,2,0,0,0,0|1,0,0]=3 11847 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,2,0,0,0,0|0,0,0]=2 11848 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,2,0,0,0,0|0,0,0]=2 11849 B13R0.2 CCCOCCCNCC(=O)CCC 2230a_100011217757_100000747444 [0,2,0,0,0,0|2,0,0]=4 11850 B13R0.2 CCCOCCCNCC(=O)NCC 2230a_100011217757_100000183381 [0,2,0,0,0,0|2,0,0]=4 11851 B13R0.2 CCCOCCCNCC(=O)NCC 34a_100011217757_100000183381 [0,2,0,0,0,0|2,0,0]=4 11852 B13R0.2 CCCOCCCNCC(=O)NCO 2230a_100011217757_100000185155 [0,2,0,0,0,0|2,0,0]=4 11853 B13R0.2 CCCOCCCNCC(=O)NCO 34a_100011217757_100000185155 [0,2,0,0,0,0|2,0,0]=4 11854 B13R0.2 CCCOCCCNCC(=O)OCC 2230a_100011217757_100000188475 [0,2,0,0,0,0|1,0,0]=3 11855 B13R0.2 CCCOCCCNCC(=O)OCC 34a_100011217757_100000188475 [0,2,0,0,0,0|1,0,0]=3 11856 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,2,0,0,0,0|1,0,0]=3 11857 B13R0.2 CCCOCCNCCC(=O)NCC 2230a_100161115042_100000737597 [0,2,0,0,0,0|2,0,0]=4 11858 B13R0.2 CCCOCCNCCC(=O)NCC 34a_100025743525_100011215938 [0,2,0,0,0,0|2,0,0]=4 11859 B13R0.2 CCCOCCNCCC(=O)OCC 2230a_100161115042_100011206558 [0,2,0,0,0,0|1,0,0]=3 11860 B13R0.2 CCCOCCNCCC(=O)OCC 34a_100161115042_100000765890 [0,2,0,0,0,0|1,0,0]=3 11861 B13R0.2 CCCOCCOCCC(=O)NCC 7a_100000752267_100000737597 [0,2,0,0,0,0|2,0,0]=4 11862 B13R0.2 CCCOCCOCCC(=O)OCC 34a_100000752267_100000765890 [0,2,0,0,0,0|1,0,0]=3 11863 B13R0.2 CCCOCCOCCC(=O)OCC 7a_100000752267_100011206558 [0,2,0,0,0,0|1,0,0]=3 11864 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100000737597_100011215938 [0,2,0,0,0,0|2,0,0]=4 11865 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100011215938_100000737597 [0,2,0,0,0,0|2,0,0]=4 11866 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100000765890_100011215938 [0,2,0,0,0,0|1,0,0]=3 11867 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100011215938_100000765890 [0,2,0,0,0,0|1,0,0]=3 11868 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,2,0,0,0,0|2,0,0]=4 11869 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,2,0,0,0,0|0,0,0]=2 11870 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,2,0,0,0,0|0,0,0]=2 11871 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,2,0,0,0,0|1,0,0]=3 11872 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,2,0,0,0,0|1,0,0]=3 11873 B13R0.2 CCCSCCNCCC(=O)NCC 2230a_100020603323_100000737597 [0,2,0,0,0,0|2,0,0]=4 11874 B13R0.2 CCCSCCNCCC(=O)OCC 2230a_100020603323_100011206558 [0,2,0,0,0,0|1,0,0]=3 11875 B13R0.2 CCCSCCOCCC(=O)NCC 7a_200000230433_100000737597 [0,2,0,0,0,0|2,0,0]=4 11876 B13R0.2 CCCSCCOCCC(=O)OCC 34a_200000230433_100000765890 [0,2,0,0,0,0|1,0,0]=3 11877 B13R0.2 CCCSCCOCCC(=O)OCC 7a_200000230433_100011206558 [0,2,0,0,0,0|1,0,0]=3 11878 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,2,0,0,0,0|1,0,0]=3 11879 B13R0.2 CCNC(=O)CCNCCCCCF 34a_100025743525_100000729378 [0,2,0,0,0,0|2,0,0]=4 11880 B13R0.2 CCNC(=O)CCNCCCCCO 2230a_100000762737_100000737597 [0,2,0,0,0,0|2,0,0]=4 11881 B13R0.2 CCNC(=O)CCNCCCCCO 34a_100025743525_100000746330 [0,2,0,0,0,0|2,0,0]=4 11882 B13R0.2 CCNC(=O)CCNCCCCOC 34a_100025743525_100000755781 [0,2,0,0,0,0|2,0,0]=4 11883 B13R0.2 CCNC(=O)CCNCCCOCC 2230a_100000210961_100000737597 [0,2,0,0,0,0|2,0,0]=4 11884 B13R0.2 CCNC(=O)CCNCCCOCC 34a_100025743525_100012232248 [0,2,0,0,0,0|2,0,0]=4 11885 B13R0.2 CCNC(=O)CCOCCCCCBr 7a_100000746331_100000737597 [0,2,0,0,0,0|2,0,0]=4 11886 B13R0.2 CCNC(=O)CCOCCCCCCl 7a_100000746330_100000737597 [0,2,0,0,0,0|2,0,0]=4 11887 B13R0.2 CCNC(=O)CCOCCCCCI 7a_200012148887_100000737597 [0,2,0,0,0,0|2,0,0]=4 11888 B13R0.2 CCNC(=O)CCOCCCCSC 7a_100011217163_100000737597 [0,2,0,0,0,0|2,0,0]=4 11889 B13R0.2 CCNC(=O)CCOCCCOCC 7a_100000757476_100000737597 [0,2,0,0,0,0|2,0,0]=4 11890 B13R0.2 CCNC(=O)CCOCCCSCC 7a_100011216438_100000737597 [0,2,0,0,0,0|2,0,0]=4 11891 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000729378_100000737597 [0,2,0,0,0,0|2,0,0]=4 11892 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000737597_100000729378 [0,2,0,0,0,0|2,0,0]=4 11893 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000737597_100000746330 [0,2,0,0,0,0|2,0,0]=4 11894 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000746330_100000737597 [0,2,0,0,0,0|2,0,0]=4 11895 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000730899_100000737597 [0,2,0,0,0,0|2,0,0]=4 11896 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000737597_100000730899 [0,2,0,0,0,0|2,0,0]=4 11897 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100000737597_100012232248 [0,2,0,0,0,0|2,0,0]=4 11898 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100012232248_100000737597 [0,2,0,0,0,0|2,0,0]=4 11899 B13R0.2 CCNC(=O)CNCCCCCCF 2230a_100016988866_100015922095 [0,2,0,0,0,0|2,0,0]=4 11900 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100000686447_100000183381 [0,2,0,0,0,0|2,0,0]=4 11901 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100016988866_100000766143 [0,2,0,0,0,0|2,0,0]=4 11902 B13R0.2 CCNC(=O)CNCCCCCCO 34a_100000686447_100000183381 [0,2,0,0,0,0|2,0,0]=4 11903 B13R0.2 CCNC(=O)CNCCCCCOC 2230a_100000747528_100000183381 [0,2,0,0,0,0|2,0,0]=4 11904 B13R0.2 CCNC(=O)CNCCCCCOC 34a_100000747528_100000183381 [0,2,0,0,0,0|2,0,0]=4 11905 B13R0.2 CCNC(=O)COCCCCCCBr 34a_100011215345_100000183381 [0,2,0,0,0,0|2,0,0]=4 11906 B13R0.2 CCNC(=O)COCCCCCCBr 7a_100011215345_100000183381 [0,2,0,0,0,0|2,0,0]=4 11907 B13R0.2 CCNC(=O)COCCCCCCCl 34a_100000766143_100000183381 [0,2,0,0,0,0|2,0,0]=4 11908 B13R0.2 CCNC(=O)COCCCCCCCl 7a_100000766143_100000183381 [0,2,0,0,0,0|2,0,0]=4 11909 B13R0.2 CCNC(=O)COCCCCCCF 34a_100000732779_100000183381 [0,2,0,0,0,0|2,0,0]=4 11910 B13R0.2 CCNC(=O)COCCCCCCF 7a_100000732779_100000183381 [0,2,0,0,0,0|2,0,0]=4 11911 B13R0.2 CCNC(=O)COCCCCCCN 34a_100000686447_100000183381 [0,2,0,0,0,0|2,0,0]=4 11912 B13R0.2 CCNC(=O)COCCCCCNC 34a_100000722520_100000183381 [0,2,0,0,0,0|2,0,0]=4 11913 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100000183381_100015922095 [0,2,0,0,0,0|2,0,0]=4 11914 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100015922095_100000183381 [0,2,0,0,0,0|2,0,0]=4 11915 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000183381_100000766143 [0,2,0,0,0,0|2,0,0]=4 11916 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000766143_100000183381 [0,2,0,0,0,0|2,0,0]=4 11917 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,2,0,0,0,0|2,0,0]=4 11918 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,2,0,0,0,0|2,0,0]=4 11919 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,2,0,0,0,0|2,0,0]=4 11920 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,2,0,0,0,0|2,0,0]=4 11921 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,2,0,0,0,0|2,0,0]=4 11922 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,2,0,0,0,0|2,0,0]=4 11923 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,2,0,0,0,0|0,0,0]=2 11924 B13R0.2 CCNN=CCCCCC(=O)OCC 4a_100000756455_100012182868 [0,2,0,0,0,0|1,0,1]=4 11925 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,2,0,0,0,0|0,0,0]=2 11926 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,2,0,0,0,0|0,0,0]=2 11927 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,2,0,0,0,0|0,0,0]=2 11928 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,2,0,0,0,0|0,0,0]=2 11929 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,2,0,0,0,0|0,0,0]=2 11930 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,2,0,0,0,0|0,0,0]=2 11931 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,2,0,0,0,0|0,0,0]=2 11932 B13R0.2 CCOC(=O)CCCCCCSCF 62a_100015361967_100009814379 [0,2,0,0,0,0|1,0,0]=3 11933 B13R0.2 CCOC(=O)CCCCCNCCF 34a_100000724931_100000755133 [0,2,0,0,0,0|1,0,0]=3 11934 B13R0.2 CCOC(=O)CCCCCNCCO 2230a_100016997473_100000755133 [0,2,0,0,0,0|1,0,0]=3 11935 B13R0.2 CCOC(=O)CCCCCNCCO 34a_100016990907_100000755133 [0,2,0,0,0,0|1,0,0]=3 11936 B13R0.2 CCOC(=O)CCCCCOCC#N 7a_100011214988_100011215382 [0,2,0,0,0,0|1,0,1]=4 11937 B13R0.2 CCOC(=O)CCCCCOCC=O 7a_100011214988_200015260668 [0,2,0,0,0,0|1,0,1]=4 11938 B13R0.2 CCOC(=O)CCCCCOCCBr 34a_100000211926_100000755133 [0,2,0,0,0,0|1,0,0]=3 11939 B13R0.2 CCOC(=O)CCCCCOCCF 7a_100011214988_100011217306 [0,2,0,0,0,0|1,0,0]=3 11940 B13R0.2 CCOC(=O)CCCCCOCCN 34a_100000210304_100000755133 [0,2,0,0,0,0|1,0,0]=3 11941 B13R0.2 CCOC(=O)CCCCCOCCO 7a_100011214988_100000211926 [0,2,0,0,0,0|1,0,0]=3 11942 B13R0.2 CCOC(=O)CCCCCSCC#N 62a_100000755133_100011215382 [0,2,0,0,0,0|1,0,1]=4 11943 B13R0.2 CCOC(=O)CCCCCSCC#N 62a_100011215382_100000755133 [0,2,0,0,0,0|1,0,1]=4 11944 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_100000755133_200015260668 [0,2,0,0,0,0|1,0,1]=4 11945 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_200015260668_100000755133 [0,2,0,0,0,0|1,0,1]=4 11946 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100000755133_100011217306 [0,2,0,0,0,0|1,0,0]=3 11947 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100011217306_100000755133 [0,2,0,0,0,0|1,0,0]=3 11948 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000211926_100000755133 [0,2,0,0,0,0|1,0,0]=3 11949 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000755133_100000211926 [0,2,0,0,0,0|1,0,0]=3 11950 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000755133_100000766300 [0,2,0,0,0,0|1,0,0]=3 11951 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000766300_100000755133 [0,2,0,0,0,0|1,0,0]=3 11952 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100000755133_100011218213 [0,2,0,0,0,0|1,0,0]=3 11953 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100011218213_100000755133 [0,2,0,0,0,0|1,0,0]=3 11954 B13R0.2 CCOC(=O)CCCCNCCCF 2230a_100015189416_100000750268 [0,2,0,0,0,0|1,0,0]=3 11955 B13R0.2 CCOC(=O)CCCCNCCCF 34a_100015189416_100000750268 [0,2,0,0,0,0|1,0,0]=3 11956 B13R0.2 CCOC(=O)CCCCNCCOC 2230a_100000209980_100000750268 [0,2,0,0,0,0|1,0,0]=3 11957 B13R0.2 CCOC(=O)CCCCNCCSC 2230a_100020590264_100000750268 [0,2,0,0,0,0|1,0,0]=3 11958 B13R0.2 CCOC(=O)CCCCOCCCBr 34a_100011217188_100000750268 [0,2,0,0,0,0|1,0,0]=3 11959 B13R0.2 CCOC(=O)CCCCOCCCCl 34a_100000230001_100000750268 [0,2,0,0,0,0|1,0,0]=3 11960 B13R0.2 CCOC(=O)CCCCOCCCF 34a_100000759539_100000750268 [0,2,0,0,0,0|1,0,0]=3 11961 B13R0.2 CCOC(=O)CCCCOCCCN 34a_100000182051_100000750268 [0,2,0,0,0,0|1,0,0]=3 11962 B13R0.2 CCOC(=O)CCCCOCCOC 34a_100000210237_100000750268 [0,2,0,0,0,0|1,0,0]=3 11963 B13R0.2 CCOC(=O)CCCCOCCON 34a_100000700252_100000750268 [0,2,0,0,0,0|2,0,0]=4 11964 B13R0.2 CCOC(=O)CCCCOCCSC 34a_100000230434_100000750268 [0,2,0,0,0,0|1,0,0]=3 11965 B13R0.2 CCOC(=O)CCCCOCCSC 7a_100000230434_100000750268 [0,2,0,0,0,0|1,0,0]=3 11966 B13R0.2 CCOC(=O)CCCCSCCC#N 62a_100000750268_100011215226 [0,2,0,0,0,0|1,0,1]=4 11967 B13R0.2 CCOC(=O)CCCCSCCC#N 62a_100011215226_100000750268 [0,2,0,0,0,0|1,0,1]=4 11968 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100000750268_100011934791 [0,2,0,0,0,0|1,0,0]=3 11969 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100011934791_100000750268 [0,2,0,0,0,0|1,0,0]=3 11970 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100000750268_100011215043 [0,2,0,0,0,0|1,0,0]=3 11971 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100011215043_100000750268 [0,2,0,0,0,0|1,0,0]=3 11972 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000233755_100000750268 [0,2,0,0,0,0|1,0,0]=3 11973 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000750268_100000233755 [0,2,0,0,0,0|1,0,0]=3 11974 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000212216_100000750268 [0,2,0,0,0,0|1,0,0]=3 11975 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000750268_100000751147 [0,2,0,0,0,0|1,0,0]=3 11976 B13R0.2 CCOC(=O)CCCNCCCCO 2230a_100000750430_100009991533 [0,2,0,0,0,0|1,0,0]=3 11977 B13R0.2 CCOC(=O)CCCNCCCCO 34a_100000750430_100009991533 [0,2,0,0,0,0|1,0,0]=3 11978 B13R0.2 CCOC(=O)CCCNCCCOC 34a_100150723488_100009991533 [0,2,0,0,0,0|1,0,0]=3 11979 B13R0.2 CCOC(=O)CCCNCCCSC 2230a_100000749238_100009991533 [0,2,0,0,0,0|1,0,0]=3 11980 B13R0.2 CCOC(=O)CCCNCCSCC 2230a_100000106463_100009991533 [0,2,0,0,0,0|1,0,0]=3 11981 B13R0.2 CCOC(=O)CCCOCCCC#N 7a_100012001163_100000687738 [0,2,0,0,0,0|1,0,1]=4 11982 B13R0.2 CCOC(=O)CCCOCCCC=O 7a_100012001163_200011292268 [0,2,0,0,0,0|1,0,1]=4 11983 B13R0.2 CCOC(=O)CCCOCCCCBr 34a_100011216708_100009991533 [0,2,0,0,0,0|1,0,0]=3 11984 B13R0.2 CCOC(=O)CCCOCCCCCl 34a_100000210776_100009991533 [0,2,0,0,0,0|1,0,0]=3 11985 B13R0.2 CCOC(=O)CCCOCCCCCl 7a_100000210776_100011215271 [0,2,0,0,0,0|1,0,0]=3 11986 B13R0.2 CCOC(=O)CCCOCCCCF 34a_100011995726_100009991533 [0,2,0,0,0,0|1,0,0]=3 11987 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100011995726_100011215271 [0,2,0,0,0,0|1,0,0]=3 11988 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100012001163_100000729493 [0,2,0,0,0,0|1,0,0]=3 11989 B13R0.2 CCOC(=O)CCCOCCCCI 34a_200012148704_100009991533 [0,2,0,0,0,0|1,0,0]=3 11990 B13R0.2 CCOC(=O)CCCOCCCCN 34a_100000750430_100009991533 [0,2,0,0,0,0|1,0,0]=3 11991 B13R0.2 CCOC(=O)CCCOCCCCO 7a_100012001163_100000210776 [0,2,0,0,0,0|1,0,0]=3 11992 B13R0.2 CCOC(=O)CCCOCCCNC 34a_100000213112_100009991533 [0,2,0,0,0,0|1,0,0]=3 11993 B13R0.2 CCOC(=O)CCCOCCCOC 34a_100000740835_100009991533 [0,2,0,0,0,0|1,0,0]=3 11994 B13R0.2 CCOC(=O)CCCOCCCOC 7a_100012001163_100000740836 [0,2,0,0,0,0|1,0,0]=3 11995 B13R0.2 CCOC(=O)CCCOCCCSC 34a_100000690336_100009991533 [0,2,0,0,0,0|1,0,0]=3 11996 B13R0.2 CCOC(=O)CCCOCCCSC 7a_100000690336_100011215271 [0,2,0,0,0,0|1,0,0]=3 11997 B13R0.2 CCOC(=O)CCCOCCSCC 34a_100000212035_100009991533 [0,2,0,0,0,0|1,0,0]=3 11998 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100000212035_100011215271 [0,2,0,0,0,0|1,0,0]=3 11999 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100012001163_100000757381 [0,2,0,0,0,0|1,0,0]=3 12000 B13R0.2 CCOC(=O)CCCSCCCC#N 62a_100000687738_100009991533 [0,2,0,0,0,0|1,0,1]=4 12001 B13R0.2 CCOC(=O)CCCSCCCC#N 62a_100009991533_100000687738 [0,2,0,0,0,0|1,0,1]=4 12002 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_100009991533_200011292268 [0,2,0,0,0,0|1,0,1]=4 12003 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_200011292268_100009991533 [0,2,0,0,0,0|1,0,1]=4 12004 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100000729493_100009991533 [0,2,0,0,0,0|1,0,0]=3 12005 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100009991533_100000729493 [0,2,0,0,0,0|1,0,0]=3 12006 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100000210776_100009991533 [0,2,0,0,0,0|1,0,0]=3 12007 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100009991533_100000210776 [0,2,0,0,0,0|1,0,0]=3 12008 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100000709357_100009991533 [0,2,0,0,0,0|1,0,0]=3 12009 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100009991533_100000709357 [0,2,0,0,0,0|1,0,0]=3 12010 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100000757381_100009991533 [0,2,0,0,0,0|1,0,0]=3 12011 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100009991533_100000757381 [0,2,0,0,0,0|1,0,0]=3 12012 B13R0.2 CCOC(=O)CCNCCCCCO 2230a_100000762737_100011206558 [0,2,0,0,0,0|1,0,0]=3 12013 B13R0.2 CCOC(=O)CCNCCCCCO 34a_100000762737_100000765890 [0,2,0,0,0,0|1,0,0]=3 12014 B13R0.2 CCOC(=O)CCNCCOCCO 2230a_100000211614_100011206558 [0,2,0,0,0,0|2,0,0]=4 12015 B13R0.2 CCOC(=O)CCNCCOCCO 34a_100000211614_100000765890 [0,2,0,0,0,0|2,0,0]=4 12016 B13R0.2 CCOC(=O)CCNCCSCCO 2230a_100011219999_100011206558 [0,2,0,0,0,0|2,0,0]=4 12017 B13R0.2 CCOC(=O)CCOCCCCCBr 34a_100000746331_100000765890 [0,2,0,0,0,0|1,0,0]=3 12018 B13R0.2 CCOC(=O)CCOCCCCCBr 7a_100000746331_100011206558 [0,2,0,0,0,0|1,0,0]=3 12019 B13R0.2 CCOC(=O)CCOCCCCCCl 34a_100000746330_100000765890 [0,2,0,0,0,0|1,0,0]=3 12020 B13R0.2 CCOC(=O)CCOCCCCCCl 7a_100000746330_100011206558 [0,2,0,0,0,0|1,0,0]=3 12021 B13R0.2 CCOC(=O)CCOCCCCCI 34a_200012148887_100000765890 [0,2,0,0,0,0|1,0,0]=3 12022 B13R0.2 CCOC(=O)CCOCCCCCI 7a_200012148887_100011206558 [0,2,0,0,0,0|1,0,0]=3 12023 B13R0.2 CCOC(=O)CCOCCCCCN 34a_100000762737_100000765890 [0,2,0,0,0,0|1,0,0]=3 12024 B13R0.2 CCOC(=O)CCOCCCCOC 34a_100000740925_100000765890 [0,2,0,0,0,0|1,0,0]=3 12025 B13R0.2 CCOC(=O)CCOCCCCSC 34a_100011217163_100000765890 [0,2,0,0,0,0|1,0,0]=3 12026 B13R0.2 CCOC(=O)CCOCCCCSC 7a_100011217163_100011206558 [0,2,0,0,0,0|1,0,0]=3 12027 B13R0.2 CCOC(=O)CCOCCCSCC 34a_100011216438_100000765890 [0,2,0,0,0,0|1,0,0]=3 12028 B13R0.2 CCOC(=O)CCOCCCSCC 7a_100011216438_100011206558 [0,2,0,0,0,0|1,0,0]=3 12029 B13R0.2 CCOC(=O)CCOCCOCCBr 34a_100000692535_100000765890 [0,2,0,0,0,0|2,0,0]=4 12030 B13R0.2 CCOC(=O)CCOCCOCCBr 7a_100000692535_100011206558 [0,2,0,0,0,0|2,0,0]=4 12031 B13R0.2 CCOC(=O)CCOCCOCCCl 34a_100011215305_100000765890 [0,2,0,0,0,0|2,0,0]=4 12032 B13R0.2 CCOC(=O)CCOCCOCCCl 7a_100011215305_100011206558 [0,2,0,0,0,0|2,0,0]=4 12033 B13R0.2 CCOC(=O)CCOCCOCCF 34a_200015357709_100000765890 [0,2,0,0,0,0|2,0,0]=4 12034 B13R0.2 CCOC(=O)CCOCCOCCF 7a_200015357709_100011206558 [0,2,0,0,0,0|2,0,0]=4 12035 B13R0.2 CCOC(=O)CCOCCOCCI 34a_100012149058_100000765890 [0,2,0,0,0,0|2,0,0]=4 12036 B13R0.2 CCOC(=O)CCOCCOCCI 7a_100012149058_100011206558 [0,2,0,0,0,0|2,0,0]=4 12037 B13R0.2 CCOC(=O)CCOCCOCCN 34a_100000211614_100000765890 [0,2,0,0,0,0|2,0,0]=4 12038 B13R0.2 CCOC(=O)CCSCCCCC#N 62a_100000765890_100000211819 [0,2,0,0,0,0|1,0,1]=4 12039 B13R0.2 CCOC(=O)CCSCCCCC#N 62a_100011219923_100000765890 [0,2,0,0,0,0|1,0,1]=4 12040 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000139335_100000765890 [0,2,0,0,0,0|1,0,1]=4 12041 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000765890_100000139335 [0,2,0,0,0,0|1,0,1]=4 12042 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000729378_100000765890 [0,2,0,0,0,0|1,0,0]=3 12043 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000765890_100000729378 [0,2,0,0,0,0|1,0,0]=3 12044 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000746330_100000765890 [0,2,0,0,0,0|1,0,0]=3 12045 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000765890_100000746330 [0,2,0,0,0,0|1,0,0]=3 12046 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000730899_100000765890 [0,2,0,0,0,0|1,0,0]=3 12047 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000765890_100000730899 [0,2,0,0,0,0|1,0,0]=3 12048 B13R0.2 CCOC(=O)CCSCCOCCO 62a_100000765890_100011215305 [0,2,0,0,0,0|2,0,0]=4 12049 B13R0.2 CCOC(=O)CCSCCOCCO 62a_100011215305_100000765890 [0,2,0,0,0,0|2,0,0]=4 12050 B13R0.2 CCOC(=O)CCSCOCCOC 62a_100000231047_100000765890 [0,2,0,0,0,0|2,0,0]=4 12051 B13R0.2 CCOC(=O)CCSCOCCOC 62a_100000765890_100000231047 [0,2,0,0,0,0|2,0,0]=4 12052 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,2,0,0,0,0|1,0,0]=3 12053 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,2,0,0,0,0|1,0,0]=3 12054 B13R0.2 CCOC(=O)CNCCCCCOC 2230a_100000747528_100000188475 [0,2,0,0,0,0|1,0,0]=3 12055 B13R0.2 CCOC(=O)CNCCCCCOC 34a_100000747528_100000188475 [0,2,0,0,0,0|1,0,0]=3 12056 B13R0.2 CCOC(=O)CNCCOCCOC 2230a_100000745349_100000188475 [0,2,0,0,0,0|2,0,0]=4 12057 B13R0.2 CCOC(=O)CNCCOCCOC 34a_100000745349_100000188475 [0,2,0,0,0,0|2,0,0]=4 12058 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,2,0,0,0,0|1,0,0]=3 12059 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,2,0,0,0,0|1,0,0]=3 12060 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,2,0,0,0,0|1,0,0]=3 12061 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,2,0,0,0,0|1,0,0]=3 12062 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,2,0,0,0,0|1,0,0]=3 12063 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,2,0,0,0,0|1,0,0]=3 12064 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,2,0,0,0,0|1,0,0]=3 12065 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,2,0,0,0,0|1,0,0]=3 12066 B13R0.2 CCOC(=O)COCCCNCCF 34a_100000724931_100009893628 [0,2,0,0,0,0|2,0,0]=4 12067 B13R0.2 CCOC(=O)COCCCNCCO 2230a_100016997473_100009893628 [0,2,0,0,0,0|2,0,0]=4 12068 B13R0.2 CCOC(=O)COCCCNCCO 34a_100016990907_100009893628 [0,2,0,0,0,0|2,0,0]=4 12069 B13R0.2 CCOC(=O)COCCCOCCBr 34a_100000211926_100009893628 [0,2,0,0,0,0|2,0,0]=4 12070 B13R0.2 CCOC(=O)COCCCOCCN 34a_100000210304_100009893628 [0,2,0,0,0,0|2,0,0]=4 12071 B13R0.2 CCOC(=O)COCCCSCCF 62a_100009893628_100011217306 [0,2,0,0,0,0|2,0,0]=4 12072 B13R0.2 CCOC(=O)COCCCSCCF 62a_100011217306_100009893628 [0,2,0,0,0,0|2,0,0]=4 12073 B13R0.2 CCOC(=O)COCCCSCCO 62a_100000211926_100009893628 [0,2,0,0,0,0|2,0,0]=4 12074 B13R0.2 CCOC(=O)COCCCSCCO 62a_100009893628_100000211926 [0,2,0,0,0,0|2,0,0]=4 12075 B13R0.2 CCOC(=O)COCCCSCOC 62a_100000766300_100009893628 [0,2,0,0,0,0|2,0,0]=4 12076 B13R0.2 CCOC(=O)COCCCSCOC 62a_100009893628_100000766300 [0,2,0,0,0,0|2,0,0]=4 12077 B13R0.2 CCOC(=O)COCCCSCSC 62a_100009893628_100011218213 [0,2,0,0,0,0|2,0,0]=4 12078 B13R0.2 CCOC(=O)COCCCSCSC 62a_100011218213_100009893628 [0,2,0,0,0,0|2,0,0]=4 12079 B13R0.2 CCOC(=O)COCCNCCCF 2230a_100015189416_100000088970 [0,2,0,0,0,0|2,0,0]=4 12080 B13R0.2 CCOC(=O)COCCNCCCF 34a_100015189416_100000088970 [0,2,0,0,0,0|2,0,0]=4 12081 B13R0.2 CCOC(=O)COCCNCCOC 2230a_100000209980_100000088970 [0,2,0,0,0,0|2,0,0]=4 12082 B13R0.2 CCOC(=O)COCCNCCSC 2230a_100020590264_100000088970 [0,2,0,0,0,0|2,0,0]=4 12083 B13R0.2 CCOC(=O)COCCOCCCBr 34a_100011217188_100000088970 [0,2,0,0,0,0|2,0,0]=4 12084 B13R0.2 CCOC(=O)COCCOCCCCl 34a_100000230001_100000088970 [0,2,0,0,0,0|2,0,0]=4 12085 B13R0.2 CCOC(=O)COCCOCCCF 34a_100000759539_100000088970 [0,2,0,0,0,0|2,0,0]=4 12086 B13R0.2 CCOC(=O)COCCOCCCN 34a_100000182051_100000088970 [0,2,0,0,0,0|2,0,0]=4 12087 B13R0.2 CCOC(=O)COCCOCCNC 34a_100000228057_100000188475 [0,2,0,0,0,0|2,0,0]=4 12088 B13R0.2 CCOC(=O)COCCOCCOC 34a_100000210237_100000088970 [0,2,0,0,0,0|2,0,0]=4 12089 B13R0.2 CCOC(=O)COCCOCCOC 34a_100011215163_100000188475 [0,2,0,0,0,0|2,0,0]=4 12090 B13R0.2 CCOC(=O)COCCOCCOC 7a_100011215163_100000188475 [0,2,0,0,0,0|2,0,0]=4 12091 B13R0.2 CCOC(=O)COCCOCCSC 34a_100000230434_100000088970 [0,2,0,0,0,0|2,0,0]=4 12092 B13R0.2 CCOC(=O)COCCOCCSC 7a_100000230434_100000088970 [0,2,0,0,0,0|2,0,0]=4 12093 B13R0.2 CCOC(=O)COCCSCCCF 62a_100000088970_100011934791 [0,2,0,0,0,0|2,0,0]=4 12094 B13R0.2 CCOC(=O)COCCSCCCF 62a_100011934791_100000088970 [0,2,0,0,0,0|2,0,0]=4 12095 B13R0.2 CCOC(=O)COCCSCCCO 62a_100000088970_100011215043 [0,2,0,0,0,0|2,0,0]=4 12096 B13R0.2 CCOC(=O)COCCSCCCO 62a_100011215043_100000088970 [0,2,0,0,0,0|2,0,0]=4 12097 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000088970_100000233755 [0,2,0,0,0,0|2,0,0]=4 12098 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000233755_100000088970 [0,2,0,0,0,0|2,0,0]=4 12099 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000088970_100000751147 [0,2,0,0,0,0|2,0,0]=4 12100 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000212216_100000088970 [0,2,0,0,0,0|2,0,0]=4 12101 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100000188475_100009813376 [0,2,0,0,0,0|1,0,1]=4 12102 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100009813376_100000188475 [0,2,0,0,0,0|1,0,1]=4 12103 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000139337_100000188475 [0,2,0,0,0,0|1,0,1]=4 12104 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000188475_100000139337 [0,2,0,0,0,0|1,0,1]=4 12105 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100000188475_100015922095 [0,2,0,0,0,0|1,0,0]=3 12106 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100015922095_100000188475 [0,2,0,0,0,0|1,0,0]=3 12107 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,2,0,0,0,0|1,0,0]=3 12108 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,2,0,0,0,0|1,0,0]=3 12109 B13R0.2 CCOC(=O)CSCCOCCCF 7a_200000230590_100011934791 [0,2,0,0,0,0|2,0,0]=4 12110 B13R0.2 CCOC(=O)CSCCOCCCO 7a_200000230590_100011215043 [0,2,0,0,0,0|2,0,0]=4 12111 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000188475_100000695917 [0,2,0,0,0,0|2,0,0]=4 12112 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000695917_100000188475 [0,2,0,0,0,0|2,0,0]=4 12113 B13R0.2 CCOC(=O)CSCCOCCOC 7a_200000230590_100000233755 [0,2,0,0,0,0|2,0,0]=4 12114 B13R0.2 CCOC(=O)CSCCOCCSC 7a_200000230590_100000212216 [0,2,0,0,0,0|2,0,0]=4 12115 B13R0.2 CCOC(=O)NCCOCCCCCl 7a_100000210776_200011445536 [0,2,0,0,0,0|2,0,0]=4 12116 B13R0.2 CCOC(=O)NCCOCCCCF 34a_100000158857_100000729493 [0,2,0,0,0,0|2,0,0]=4 12117 B13R0.2 CCOC(=O)NCCOCCCCF 7a_100011995726_200011445536 [0,2,0,0,0,0|2,0,0]=4 12118 B13R0.2 CCOC(=O)NCCOCCCCO 34a_100000158857_100011216708 [0,2,0,0,0,0|2,0,0]=4 12119 B13R0.2 CCOC(=O)NCCOCCCOC 34a_100000158857_100000740836 [0,2,0,0,0,0|2,0,0]=4 12120 B13R0.2 CCOC(=O)NCCOCCCSC 7a_100000690336_200011445536 [0,2,0,0,0,0|2,0,0]=4 12121 B13R0.2 CCOC(=O)NCCOCCSCC 34a_100000158857_100000757381 [0,2,0,0,0,0|2,0,0]=4 12122 B13R0.2 CCOC(=O)NCCOCCSCC 7a_100000212035_200011445536 [0,2,0,0,0,0|2,0,0]=4 12123 B13R0.2 CCOC(=O)NCCSCCCCF 62a_100000729493_200011445536 [0,2,0,0,0,0|2,0,0]=4 12124 B13R0.2 CCOC(=O)NCCSCCCCO 62a_100000210776_200011445536 [0,2,0,0,0,0|2,0,0]=4 12125 B13R0.2 CCOC(=O)NCCSCCCOC 62a_100000709357_200011445536 [0,2,0,0,0,0|2,0,0]=4 12126 B13R0.2 CCOC(=O)NCCSCCSCC 62a_100000757381_200011445536 [0,2,0,0,0,0|2,0,0]=4 12127 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,2,0,0,0,0|2,0,0]=4 12128 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,2,0,0,0,0|2,0,0]=4 12129 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,2,0,0,0,0|2,0,0]=4 12130 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,2,0,0,0,0|0,0,0]=2 12131 B13R0.2 CCOCCCNCCC(=O)OCC 2230a_100000210961_100011206558 [0,2,0,0,0,0|1,0,0]=3 12132 B13R0.2 CCOCCCNCCC(=O)OCC 34a_100000210961_100000765890 [0,2,0,0,0,0|1,0,0]=3 12133 B13R0.2 CCOCCCOCCC(=O)OCC 34a_100000757476_100000765890 [0,2,0,0,0,0|1,0,0]=3 12134 B13R0.2 CCOCCCOCCC(=O)OCC 7a_100000757476_100011206558 [0,2,0,0,0,0|1,0,0]=3 12135 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100000765890_100012232248 [0,2,0,0,0,0|1,0,0]=3 12136 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100012232248_100000765890 [0,2,0,0,0,0|1,0,0]=3 12137 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,2,0,0,0,0|2,0,0]=4 12138 B13R0.2 CCOCCNCCCC(=O)OCC 2230a_102516460346_100009991533 [0,2,0,0,0,0|1,0,0]=3 12139 B13R0.2 CCOCCNCCCC(=O)OCC 34a_102516460346_100009991533 [0,2,0,0,0,0|1,0,0]=3 12140 B13R0.2 CCOCCOCCCC(=O)OCC 34a_100000210136_100009991533 [0,2,0,0,0,0|1,0,0]=3 12141 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100000210136_100011215271 [0,2,0,0,0,0|1,0,0]=3 12142 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100012001163_100011215890 [0,2,0,0,0,0|1,0,0]=3 12143 B13R0.2 CCOCCOCCNC(=O)COC 11a_100102712874_100000210968 [0,2,0,0,0,0|2,0,0]=4 12144 B13R0.2 CCOCCOCCNC(=O)COC 1626a_100102712874_100000210968 [0,2,0,0,0,0|2,0,0]=4 12145 B13R0.2 CCOCCOCCNC(=O)COC 240690a_100102712874_100000210968 [0,2,0,0,0,0|2,0,0]=4 12146 B13R0.2 CCOCCOCCNC(=O)COC 527a_100102712874_100000210968 [0,2,0,0,0,0|2,0,0]=4 12147 B13R0.2 CCOCCOCCNC(=O)OCC 34a_100000158857_100000210147 [0,2,0,0,0,0|2,0,0]=4 12148 B13R0.2 CCOCCOCCNC(=O)OCC 7a_100000210136_200011445536 [0,2,0,0,0,0|2,0,0]=4 12149 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100000210147_100009991533 [0,2,0,0,0,0|1,0,0]=3 12150 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100009991533_100011215890 [0,2,0,0,0,0|1,0,0]=3 12151 B13R0.2 CCOCCSCCNC(=O)OCC 62a_100000210147_200011445536 [0,2,0,0,0,0|2,0,0]=4 12152 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000739092_100000750268 [0,2,0,0,0,0|1,0,0]=3 12153 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000750268_100000739092 [0,2,0,0,0,0|1,0,0]=3 12154 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000088970_100000739092 [0,2,0,0,0,0|2,0,0]=4 12155 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000739092_100000088970 [0,2,0,0,0,0|2,0,0]=4 12156 B13R0.2 CNCCCCCOCC(=O)NCO 34a_100000722520_100000185155 [0,2,0,0,0,0|2,0,0]=4 12157 B13R0.2 CNNC(=O)CCCCCCCCO 22a_100016993582_100000015970 [0,2,0,0,0,0|1,0,0]=3 12158 B13R0.2 CNNC(=O)NCCCCCCCO 273464a_100011996573_100016993582 [0,2,0,0,0,0|2,0,0]=4 12159 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100011996573_100016993582 [0,2,0,0,0,0|2,0,0]=4 12160 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100016993582_100011996573 [0,2,0,0,0,0|2,0,0]=4 12161 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,2,0,0,0,0|0,0,0]=2 12162 B13R0.2 COCC(=O)CCOCCOCCO 1458a_100000210968_100000032323 [0,2,0,0,0,0|2,0,0]=4 12163 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,2,0,0,0,0|1,0,0]=3 12164 B13R0.2 COCC(=O)NCCCOCCCO 240690a_100011310245_100000210968 [0,2,0,0,0,0|2,0,0]=4 12165 B13R0.2 COCCCCCNCC(=O)NCO 2230a_100000747528_100000185155 [0,2,0,0,0,0|2,0,0]=4 12166 B13R0.2 COCCCCCNCC(=O)NCO 34a_100000747528_100000185155 [0,2,0,0,0,0|2,0,0]=4 12167 B13R0.2 COCCOCCCNC(=O)COC 1626a_100000206027_100000210968 [0,2,0,0,0,0|2,0,0]=4 12168 B13R0.2 COCCOCCCNC(=O)COC 240690a_100000206027_100000210968 [0,2,0,0,0,0|2,0,0]=4 12169 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,2,0,0,0,0|0,1,0]=3 12170 B13R0.2 CSCC(=O)NCCCCCCCO 240690a_100011996573_100000184570 [0,2,0,0,0,0|1,1,0]=4 12171 B13R0.2 N#CCC(=O)CCCCCCCCO 1458a_100051588842_100000033203 [0,2,0,0,0,0|1,0,1]=4 12172 B13R0.2 NCCCCCCOCC(=O)NCO 34a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 12173 B13R0.2 O=C(C=CBr)CCCCCCCCO 1458a_100016273825_100000033203 [0,2,0,0,0,0|1,0,1]=4 12174 B13R0.2 O=C(C=CCl)CCCCCCCCO 1458a_200016279998_100000033203 [0,2,0,0,0,0|1,0,1]=4 12175 B13R0.2 O=C(C=CI)CCCCCCCCO 1458a_100016256311_100000033203 [0,2,0,0,0,0|1,0,1]=4 12176 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,2,0,0,0,0|1,0,0]=3 12177 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,2,0,0,0,0|2,0,0]=4 12178 B13R0.2 O=C(CNCCCCCCO)NCO 2230a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 12179 B13R0.2 O=C(CNCCCCCCO)NCO 34a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 12180 B13R0.2 O=C(COCCCCCCBr)NCO 34a_100011215345_100000185155 [0,2,0,0,0,0|2,0,0]=4 12181 B13R0.2 O=C(COCCCCCCBr)NCO 7a_100011215345_100000185155 [0,2,0,0,0,0|2,0,0]=4 12182 B13R0.2 O=C(COCCCCCCCl)NCO 34a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 12183 B13R0.2 O=C(COCCCCCCCl)NCO 7a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 12184 B13R0.2 O=C(COCCCCCCF)NCO 34a_100000732779_100000185155 [0,2,0,0,0,0|2,0,0]=4 12185 B13R0.2 O=C(COCCCCCCF)NCO 7a_100000732779_100000185155 [0,2,0,0,0,0|2,0,0]=4 12186 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100000185155_100015922095 [0,2,0,0,0,0|2,0,0]=4 12187 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100015922095_100000185155 [0,2,0,0,0,0|2,0,0]=4 12188 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000185155_100000766143 [0,2,0,0,0,0|2,0,0]=4 12189 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 12190 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000210188_100000753159 [0,2,0,0,0,0|1,0,0]=3 12191 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000692101_100000210759 [0,2,0,0,0,0|1,0,0]=3 12192 B13R0.66 C#CCCC(=O)CCCCCCCO 1458a_100000692101_100000760002 [0,2,0,0,0,0|2,0,0]=4 12193 B13R0.66 C#CCCC(=O)CCCCCCCO 1458a_100011219782_100000753159 [0,2,0,0,0,0|2,0,0]=4 12194 B13R0.66 C#CCCC(=O)CCCCCCOC 1458a_100000692101_100011998445 [0,2,0,0,0,0|2,0,0]=4 12195 B13R0.66 C#CCCC(=O)CCOCCCCC 34a_100011064465_100000718602 [0,2,0,0,0,0|2,0,0]=4 12196 B13R0.66 C#CCCC(=O)CCOCCCCC 7a_100011064465_100000210326 [0,2,0,0,0,0|2,0,0]=4 12197 B13R0.66 C#CCCC(=O)NCCCCCCC 11a_100000229938_100000692101 [0,2,0,0,0,0|2,0,0]=4 12198 B13R0.66 C#CCCC(=O)NCCCCCCC 1626a_100000229938_100000692101 [0,2,0,0,0,0|2,0,0]=4 12199 B13R0.66 C#CCCC(=O)NCCCCCCC 240690a_100000229938_100000692101 [0,2,0,0,0,0|2,0,0]=4 12200 B13R0.66 C#CCCC(=O)NCCCCCCC 527a_100000229938_100000692101 [0,2,0,0,0,0|2,0,0]=4 12201 B13R0.66 C#CCCCCCCC(=O)C=COC 1458a_100016268678_100012276617 [0,2,0,0,0,0|0,0,2]=4 12202 B13R0.66 C#CCCCCCCC(=O)CCOC 1458a_100000034748_100000233755 [0,2,0,0,0,0|0,0,2]=4 12203 B13R0.66 C#CCCCCCCC(=O)CCOC 1458a_100000749529_100012276617 [0,2,0,0,0,0|0,0,2]=4 12204 B13R0.66 C#CCCCCCCC(=O)COCC 1458a_100000211967_100012276617 [0,2,0,0,0,0|0,0,2]=4 12205 B13R0.66 C#CCNC(=O)CCCCCCCC 11a_100000212058_100000210188 [0,2,0,0,0,0|1,0,0]=3 12206 B13R0.66 C#CCNC(=O)CCCCCCCC 1626a_100000212058_100000210188 [0,2,0,0,0,0|1,0,0]=3 12207 B13R0.66 C#CCNC(=O)CCCCCCCC 240690a_100000212058_100000210188 [0,2,0,0,0,0|1,0,0]=3 12208 B13R0.66 C#CCNC(=O)CCCCCCCC 527a_100000212058_100000210188 [0,2,0,0,0,0|1,0,0]=3 12209 B13R0.66 C#CCNC(=O)CCCCCCCO 240690a_100000212058_100011219782 [0,2,0,0,0,0|2,0,0]=4 12210 B13R0.66 C#CCNC(=O)CNCCCCCC 2230a_100000747989_100000210314 [0,2,0,0,0,0|2,0,0]=4 12211 B13R0.66 C#CCNC(=O)CNCCCCCC 34a_100000747989_100000210314 [0,2,0,0,0,0|2,0,0]=4 12212 B13R0.66 C#CCNC(=O)NCCCCCCC 2708a_100000212058_100000229938 [0,2,0,0,0,0|2,0,0]=4 12213 B13R0.66 C#CCNC(=O)NCCCCCCC 2708a_100000229938_100000212058 [0,2,0,0,0,0|2,0,0]=4 12214 B13R0.66 C#CCNC(=O)NCCCCCCC 273464a_100000212058_100000229938 [0,2,0,0,0,0|2,0,0]=4 12215 B13R0.66 C#CCNC(=O)NCCCCCCC 273464a_100000229938_100000212058 [0,2,0,0,0,0|2,0,0]=4 12216 B13R0.66 C#CCNC(=O)NCCCCCCC 512a_100000212058_100000229938 [0,2,0,0,0,0|2,0,0]=4 12217 B13R0.66 C#CCNC(=O)NCCCCCCC 512a_100000229938_100000212058 [0,2,0,0,0,0|2,0,0]=4 12218 B13R0.66 C#CCOC(C)CCCCCCCC 34a_100000210740_100000184674 [0,2,0,0,0,0|1,0,1]=4 12219 B13R0.66 C#CCOC(C)CCCCCCCC 7a_100000210740_100000038162 [0,2,0,0,0,0|1,0,1]=4 12220 B13R0.66 C/C=C/CC(=O)CCCCCCCC 1458a_100000210188_100102629194 [0,2,0,0,0,0|1,0,0]=3 12221 B13R0.66 C/C=C/CC(=O)CCCCCCCO 1458a_100011219782_100102629194 [0,2,0,0,0,0|2,0,0]=4 12222 B13R0.66 C=C(COCCCCCC)OCOC 34a_100000210259_100000042856 [0,2,0,0,0,0|2,0,0]=4 12223 B13R0.66 C=C(CSCCCCCC)OCOC 62a_100000042856_100000210757 [0,2,0,0,0,0|2,0,0]=4 12224 B13R0.66 C=C(CSCCCCCC)OCOC 62a_100000210314_100000042856 [0,2,0,0,0,0|2,0,0]=4 12225 B13R0.66 C=CC=CC(=O)CCCCCCCC 1458a_100016291481_100000210759 [0,2,0,0,0,0|1,0,1]=4 12226 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [0,2,0,0,0,0|1,0,0]=3 12227 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [0,2,0,0,0,0|1,0,0]=3 12228 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100000749702_100000760002 [0,2,0,0,0,0|2,0,0]=4 12229 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100011219782_100000754431 [0,2,0,0,0,0|2,0,0]=4 12230 B13R0.66 C=CCCC(=O)CCCCCCOC 1458a_100000749702_100011998445 [0,2,0,0,0,0|2,0,0]=4 12231 B13R0.66 C=CCCC(=O)NCCCCCCC 11a_100000229938_100000749702 [0,2,0,0,0,0|2,0,0]=4 12232 B13R0.66 C=CCCC(=O)NCCCCCCC 1626a_100000229938_100000749702 [0,2,0,0,0,0|2,0,0]=4 12233 B13R0.66 C=CCCC(=O)NCCCCCCC 240690a_100000229938_100000749702 [0,2,0,0,0,0|2,0,0]=4 12234 B13R0.66 C=CCCC(=O)NCCCCCCC 527a_100000229938_100000749702 [0,2,0,0,0,0|2,0,0]=4 12235 B13R0.66 C=CCCCCCCC(=O)C=COC 1458a_100016268678_100011215473 [0,2,0,0,0,0|0,0,2]=4 12236 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100000749529_100011215473 [0,2,0,0,0,0|0,0,2]=4 12237 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100011809334_100000233755 [0,2,0,0,0,0|0,0,2]=4 12238 B13R0.66 C=CCCCCCCC(=O)COCC 1458a_100000211967_100011215473 [0,2,0,0,0,0|0,0,2]=4 12239 B13R0.66 C=CCNC(=O)CCCCCCCC 1626a_100020586998_100000210188 [0,2,0,0,0,0|1,0,0]=3 12240 B13R0.66 C=CCNC(=O)CCCCCCCC 240690a_100020586998_100000210188 [0,2,0,0,0,0|1,0,0]=3 12241 B13R0.66 C=CCNC(=O)CCCCCCCC 527a_100020586998_100000210188 [0,2,0,0,0,0|1,0,0]=3 12242 B13R0.66 C=CCNC(=O)CCCCCCCO 240690a_100020586998_100011219782 [0,2,0,0,0,0|2,0,0]=4 12243 B13R0.66 C=CCNC(=O)CCNCCCCC 2230a_100000209983_100011222895 [0,2,0,0,0,0|2,0,0]=4 12244 B13R0.66 C=CCNC(=O)CCOCCCCC 7a_100000210253_100011222895 [0,2,0,0,0,0|2,0,0]=4 12245 B13R0.66 C=CCNC(=O)CCSCCCCC 62a_100000210326_100011222895 [0,2,0,0,0,0|2,0,0]=4 12246 B13R0.66 C=CCNC(=O)CCSCCCCC 62a_100011222895_100000210326 [0,2,0,0,0,0|2,0,0]=4 12247 B13R0.66 C=CCNC(=O)CNCCCCCC 2230a_100000210581_100000183597 [0,2,0,0,0,0|2,0,0]=4 12248 B13R0.66 C=CCNC(=O)COCCCCCC 7a_100000210259_100000183597 [0,2,0,0,0,0|2,0,0]=4 12249 B13R0.66 C=CCNC(=O)CSCCCCCC 62a_100000183597_100000210757 [0,2,0,0,0,0|2,0,0]=4 12250 B13R0.66 C=CCNC(=O)CSCCCCCC 62a_100000210314_100000183597 [0,2,0,0,0,0|2,0,0]=4 12251 B13R0.66 C=CCNC(=O)NCCCCCCC 2708a_100000229938_100020586998 [0,2,0,0,0,0|2,0,0]=4 12252 B13R0.66 C=CCNC(=O)NCCCCCCC 273464a_100000229938_100020586998 [0,2,0,0,0,0|2,0,0]=4 12253 B13R0.66 C=CCNC(=O)NCCCCCCC 273464a_100020586998_100000229938 [0,2,0,0,0,0|2,0,0]=4 12254 B13R0.66 C=CCNC(=O)NCCCCCCC 512a_100000229938_100020586998 [0,2,0,0,0,0|2,0,0]=4 12255 B13R0.66 C=CCNC(=O)NCCCCCCC 512a_100020586998_100000229938 [0,2,0,0,0,0|2,0,0]=4 12256 B13R0.66 C=CCOC(=O)CNCCCCCC 2230a_100000210581_100000033060 [0,2,0,0,0,0|1,0,0]=3 12257 B13R0.66 C=CCOC(=O)CNCCCCCO 2230a_100000762737_100000033060 [0,2,0,0,0,0|2,0,0]=4 12258 B13R0.66 C=CCOC(=O)CNCCCCCO 34a_100000762737_100000033060 [0,2,0,0,0,0|2,0,0]=4 12259 B13R0.66 C=CCOC(=O)CNCCCOCC 2230a_100000210961_100000033060 [0,2,0,0,0,0|2,0,0]=4 12260 B13R0.66 C=CCOC(=O)CNCCCOCC 34a_100000210961_100000033060 [0,2,0,0,0,0|2,0,0]=4 12261 B13R0.66 C=CCOC(=O)CNCCOCCC 2230a_100161115042_100000033060 [0,2,0,0,0,0|2,0,0]=4 12262 B13R0.66 C=CCOC(=O)CNCCOCCC 34a_100161115042_100000033060 [0,2,0,0,0,0|2,0,0]=4 12263 B13R0.66 C=CCOC(=O)CNCCSCCC 2230a_100020603323_100000033060 [0,2,0,0,0,0|2,0,0]=4 12264 B13R0.66 C=CCOC(=O)COCCCCCBr 34a_100000746331_100000033060 [0,2,0,0,0,0|2,0,0]=4 12265 B13R0.66 C=CCOC(=O)COCCCCCBr 7a_100000746331_100000033060 [0,2,0,0,0,0|2,0,0]=4 12266 B13R0.66 C=CCOC(=O)COCCCCCC 34a_100000210259_100000033060 [0,2,0,0,0,0|1,0,0]=3 12267 B13R0.66 C=CCOC(=O)COCCCCCC 7a_100000210259_100000033060 [0,2,0,0,0,0|1,0,0]=3 12268 B13R0.66 C=CCOC(=O)COCCCCCCl 34a_100000746330_100000033060 [0,2,0,0,0,0|2,0,0]=4 12269 B13R0.66 C=CCOC(=O)COCCCCCCl 7a_100000746330_100000033060 [0,2,0,0,0,0|2,0,0]=4 12270 B13R0.66 C=CCOC(=O)COCCCCCI 34a_200012148887_100000033060 [0,2,0,0,0,0|2,0,0]=4 12271 B13R0.66 C=CCOC(=O)COCCCCCI 7a_200012148887_100000033060 [0,2,0,0,0,0|2,0,0]=4 12272 B13R0.66 C=CCOC(=O)COCCCCCN 34a_100000762737_100000033060 [0,2,0,0,0,0|2,0,0]=4 12273 B13R0.66 C=CCOC(=O)COCCCCOC 34a_100000740925_100000033060 [0,2,0,0,0,0|2,0,0]=4 12274 B13R0.66 C=CCOC(=O)COCCCCSC 34a_100011217163_100000033060 [0,2,0,0,0,0|2,0,0]=4 12275 B13R0.66 C=CCOC(=O)COCCCCSC 7a_100011217163_100000033060 [0,2,0,0,0,0|2,0,0]=4 12276 B13R0.66 C=CCOC(=O)COCCCOCC 34a_100000757476_100000033060 [0,2,0,0,0,0|2,0,0]=4 12277 B13R0.66 C=CCOC(=O)COCCCOCC 7a_100000757476_100000033060 [0,2,0,0,0,0|2,0,0]=4 12278 B13R0.66 C=CCOC(=O)COCCCSCC 34a_100011216438_100000033060 [0,2,0,0,0,0|2,0,0]=4 12279 B13R0.66 C=CCOC(=O)COCCCSCC 7a_100011216438_100000033060 [0,2,0,0,0,0|2,0,0]=4 12280 B13R0.66 C=CCOC(=O)COCCOCCC 34a_100000752267_100000033060 [0,2,0,0,0,0|2,0,0]=4 12281 B13R0.66 C=CCOC(=O)COCCOCCC 7a_100000752267_100000033060 [0,2,0,0,0,0|2,0,0]=4 12282 B13R0.66 C=CCOC(=O)COCCSCCC 34a_200000230433_100000033060 [0,2,0,0,0,0|2,0,0]=4 12283 B13R0.66 C=CCOC(=O)COCCSCCC 7a_200000230433_100000033060 [0,2,0,0,0,0|2,0,0]=4 12284 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000033060_100000210757 [0,2,0,0,0,0|1,0,0]=3 12285 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000210314_100000033060 [0,2,0,0,0,0|1,0,0]=3 12286 B13R0.66 C=CCOC(=O)CSCCCCCF 62a_100000033060_100000729378 [0,2,0,0,0,0|2,0,0]=4 12287 B13R0.66 C=CCOC(=O)CSCCCCCF 62a_100000729378_100000033060 [0,2,0,0,0,0|2,0,0]=4 12288 B13R0.66 C=CCOC(=O)CSCCCCCO 62a_100000033060_100000746330 [0,2,0,0,0,0|2,0,0]=4 12289 B13R0.66 C=CCOC(=O)CSCCCCCO 62a_100000746330_100000033060 [0,2,0,0,0,0|2,0,0]=4 12290 B13R0.66 C=CCOC(=O)CSCCCCOC 62a_100000033060_100000730899 [0,2,0,0,0,0|2,0,0]=4 12291 B13R0.66 C=CCOC(=O)CSCCCCOC 62a_100000730899_100000033060 [0,2,0,0,0,0|2,0,0]=4 12292 B13R0.66 C=CCOC(=O)CSCCCOCC 62a_100000033060_100012232248 [0,2,0,0,0,0|2,0,0]=4 12293 B13R0.66 C=CCOC(=O)CSCCCOCC 62a_100012232248_100000033060 [0,2,0,0,0,0|2,0,0]=4 12294 B13R0.66 C=CCOC(=O)CSCCOCCC 62a_100000033060_100011215938 [0,2,0,0,0,0|2,0,0]=4 12295 B13R0.66 C=CCOC(=O)CSCCOCCC 62a_100011215938_100000033060 [0,2,0,0,0,0|2,0,0]=4 12296 B13R0.66 C=CCOC(=O)CSCOCCCC 62a_100000033060_100011995733 [0,2,0,0,0,0|2,0,0]=4 12297 B13R0.66 C=CCOC(=O)CSCOCCCC 62a_100011995733_100000033060 [0,2,0,0,0,0|2,0,0]=4 12298 B13R0.66 C=CCOC(C)CCCCCCCC 34a_100000210740_100015514636 [0,2,0,0,0,0|1,0,1]=4 12299 B13R0.66 C=CCOC(C)CCCCCCCC 7a_100000210740_100015514636 [0,2,0,0,0,0|1,0,1]=4 12300 B13R0.66 CC#CCC(=O)CCCCCCCC 1458a_100000210188_100000748600 [0,2,0,0,0,0|1,0,0]=3 12301 B13R0.66 CC#CCC(=O)CCCCCCCO 1458a_100011219782_100000748600 [0,2,0,0,0,0|2,0,0]=4 12302 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100000210188_100000070051 [0,2,0,0,0,0|1,0,0]=3 12303 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100121576822_100000210759 [0,2,0,0,0,0|1,0,0]=3 12304 B13R0.66 CC=CCC(=O)CCCCCCCO 1458a_100011219782_100000070051 [0,2,0,0,0,0|2,0,0]=4 12305 B13R0.66 CC=CCC(=O)CCCCCCCO 1458a_100121576822_100000760002 [0,2,0,0,0,0|2,0,0]=4 12306 B13R0.66 CC=CCC(=O)CCCCCCOC 1458a_100121576822_100011998445 [0,2,0,0,0,0|2,0,0]=4 12307 B13R0.66 CC=CCC(=O)NCCCCCCC 11a_100000229938_100121576822 [0,2,0,0,0,0|2,0,0]=4 12308 B13R0.66 CC=CCC(=O)NCCCCCCC 1626a_100000229938_100121576822 [0,2,0,0,0,0|2,0,0]=4 12309 B13R0.66 CC=CCC(=O)NCCCCCCC 240690a_100000229938_100121576822 [0,2,0,0,0,0|2,0,0]=4 12310 B13R0.66 CC=CCC(=O)NCCCCCCC 527a_100000229938_100121576822 [0,2,0,0,0,0|2,0,0]=4 12311 B13R0.66 CCC#CC(=O)CCCCCCCC 1458a_100011827653_100000210759 [0,2,0,0,0,0|1,0,0]=3 12312 B13R0.66 CCC#CC(=O)CCCCCCCO 1458a_100011827653_100000760002 [0,2,0,0,0,0|2,0,0]=4 12313 B13R0.66 CCC#CC(=O)CCCCCCOC 1458a_100011827653_100011998445 [0,2,0,0,0,0|2,0,0]=4 12314 B13R0.66 CCC=CC(=O)CCCCCCCC 1458a_100000212282_100000210759 [0,2,0,0,0,0|1,0,0]=3 12315 B13R0.66 CCC=CC(=O)CCCCCCCO 1458a_100000212282_100000760002 [0,2,0,0,0,0|2,0,0]=4 12316 B13R0.66 CCC=CC(=O)CCCCCCOC 1458a_100000212282_100011998445 [0,2,0,0,0,0|2,0,0]=4 12317 B13R0.66 CCC=CC(=O)NCCCCCCC 11a_100000229938_100000212282 [0,2,0,0,0,0|2,0,0]=4 12318 B13R0.66 CCC=CC(=O)NCCCCCCC 1626a_100000229938_100000212282 [0,2,0,0,0,0|2,0,0]=4 12319 B13R0.66 CCC=CC(=O)NCCCCCCC 240690a_100000229938_100000212282 [0,2,0,0,0,0|2,0,0]=4 12320 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [0,2,0,0,0,0|2,0,0]=4 12321 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [0,2,0,0,0,0|2,0,0]=4 12322 B13R0.66 CCCCC(=O)CCCCCCOC 1458a_100000210183_100011998445 [0,2,0,0,0,0|2,0,0]=4 12323 B13R0.66 CCCCC/C=C/CC(=O)CCOC 1458a_100020675968_100000233755 [0,2,0,0,0,0|0,0,2]=4 12324 B13R0.66 CCCCCC#CCC(=O)C=COC 1458a_100016268678_100009816472 [0,2,0,0,0,0|0,0,2]=4 12325 B13R0.66 CCCCCC#CCC(=O)CCOC 1458a_100000749529_100009816472 [0,2,0,0,0,0|0,0,2]=4 12326 B13R0.66 CCCCCC#CCC(=O)COCC 1458a_100000211967_100009816472 [0,2,0,0,0,0|0,0,2]=4 12327 B13R0.66 CCCCCCC=CC(=O)CCOC 1458a_200015324643_100000233755 [0,2,0,0,0,0|0,0,2]=4 12328 B13R0.66 CCCCCCCCC(=NNCC)C 4a_100000756455_100011216694 [0,2,0,0,0,0|2,0,0]=4 12329 B13R0.66 CCCCCCCCC(=O)C#CCO 1458a_100000049017_100000210759 [0,2,0,0,0,0|1,0,0]=3 12330 B13R0.66 CCCCCCCCC(=O)C=COC 1458a_100016268678_100000210759 [0,2,0,0,0,0|0,0,0]=2 12331 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100000210188_100011215226 [0,2,0,0,0,0|1,0,0]=3 12332 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210759 [0,2,0,0,0,0|1,0,0]=3 12333 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [0,2,0,0,0,0|1,0,0]=3 12334 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [0,2,0,0,0,0|1,0,0]=3 12335 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [0,2,0,0,0,0|1,0,0]=3 12336 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [0,2,0,0,0,0|1,0,0]=3 12337 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [0,2,0,0,0,0|0,0,0]=2 12338 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [0,2,0,0,0,0|0,0,0]=2 12339 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [0,2,0,0,0,0|0,1,0]=3 12340 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [0,2,0,0,0,0|0,1,0]=3 12341 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [0,2,0,0,0,0|0,0,0]=2 12342 B13R0.66 CCCCCCCCC(=O)CSCC 1458a_100000230394_100000210759 [0,2,0,0,0,0|0,1,0]=3 12343 B13R0.66 CCCCCCCCC(=O)NCC#N 1626a_100000734998_100000210188 [0,2,0,0,0,0|1,0,0]=3 12344 B13R0.66 CCCCCCCCC(=O)NCC#N 527a_100000734998_100000210188 [0,2,0,0,0,0|1,0,0]=3 12345 B13R0.66 CCCCCCCCC(=O)NCCC 11a_100020643023_100000210188 [0,2,0,0,0,0|1,0,0]=3 12346 B13R0.66 CCCCCCCCC(=O)NCCC 1626a_100020643023_100000210188 [0,2,0,0,0,0|1,0,0]=3 12347 B13R0.66 CCCCCCCCC(=O)NCCC 240690a_100020643023_100000210188 [0,2,0,0,0,0|1,0,0]=3 12348 B13R0.66 CCCCCCCCC(=O)NCCC 527a_100020643023_100000210188 [0,2,0,0,0,0|1,0,0]=3 12349 B13R0.66 CCCCCCCCC(=O)NCCF 11a_100000724931_100000210188 [0,2,0,0,0,0|1,0,0]=3 12350 B13R0.66 CCCCCCCCC(=O)NCCF 1626a_100000724931_100000210188 [0,2,0,0,0,0|1,0,0]=3 12351 B13R0.66 CCCCCCCCC(=O)NCCF 240690a_100000724931_100000210188 [0,2,0,0,0,0|1,0,0]=3 12352 B13R0.66 CCCCCCCCC(=O)NCCF 527a_100000724931_100000210188 [0,2,0,0,0,0|1,0,0]=3 12353 B13R0.66 CCCCCCCCC(=O)NCCO 240690a_100000210304_100000210188 [0,2,0,0,0,0|1,0,0]=3 12354 B13R0.66 CCCCCCCCC(=O)NCCO 527a_100000210304_100000210188 [0,2,0,0,0,0|1,0,0]=3 12355 B13R0.66 CCCCCCCCC(=O)NNCC 22a_100000756455_100000210188 [0,2,0,0,0,0|1,0,0]=3 12356 B13R0.66 CCCCCCCCC(C)COCC 34a_200012125181_100000210202 [0,2,0,0,0,0|1,0,1]=4 12357 B13R0.66 CCCCCCCCC(C)COCC 7a_200012125181_100000210202 [0,2,0,0,0,0|1,0,1]=4 12358 B13R0.66 CCCCCCCCC(C)COCF 34a_200012125181_100015361967 [0,2,0,0,0,0|1,0,1]=4 12359 B13R0.66 CCCCCCCCC(C)COCF 7a_200012125181_100015361967 [0,2,0,0,0,0|1,0,1]=4 12360 B13R0.66 CCCCCCCCC(C)OCC#N 7a_100000210740_100011215382 [0,2,0,0,0,0|1,0,1]=4 12361 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [0,2,0,0,0,0|1,0,1]=4 12362 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [0,2,0,0,0,0|1,0,1]=4 12363 B13R0.66 CCCCCCCCC(C)OCCC 34a_100000210740_100000210303 [0,2,0,0,0,0|1,0,1]=4 12364 B13R0.66 CCCCCCCCC(C)OCCC 7a_100000210740_100000210303 [0,2,0,0,0,0|1,0,1]=4 12365 B13R0.66 CCCCCCCCC(C)OCCF 34a_100000210740_100011217306 [0,2,0,0,0,0|1,0,1]=4 12366 B13R0.66 CCCCCCCCC(C)OCCF 7a_100000210740_100011217306 [0,2,0,0,0,0|1,0,1]=4 12367 B13R0.66 CCCCCCCCC(C)OCCO 34a_100000210740_100000211926 [0,2,0,0,0,0|1,0,1]=4 12368 B13R0.66 CCCCCCCCC(C)OCCO 7a_100000210740_100000211926 [0,2,0,0,0,0|1,0,1]=4 12369 B13R0.66 CCCCCCCCC(C)OCSC 34a_100000210740_100011218213 [0,2,0,0,0,0|1,0,1]=4 12370 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000207567_100011201679 [0,2,0,0,0,0|2,0,0]=4 12371 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000743101_100000210759 [0,2,0,0,0,0|2,0,0]=4 12372 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000207567_100000233755 [0,2,0,0,0,0|2,0,0]=4 12373 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000743101_100000210759 [0,2,0,0,0,0|2,0,0]=4 12374 B13R0.66 CCCCCCCCN(C)COCC 269982a_100000207567_100000739092 [0,2,0,0,0,0|2,0,0]=4 12375 B13R0.66 CCCCCCCNC(=O)C=COC 1626a_100000229938_100016268678 [0,2,0,0,0,0|1,0,0]=3 12376 B13R0.66 CCCCCCCNC(=O)C=COC 240690a_100000229938_100016268678 [0,2,0,0,0,0|1,0,0]=3 12377 B13R0.66 CCCCCCCNC(=O)CCC#N 11a_100000229938_100011934036 [0,2,0,0,0,0|2,0,0]=4 12378 B13R0.66 CCCCCCCNC(=O)CCC#N 1626a_100000229938_100011934036 [0,2,0,0,0,0|2,0,0]=4 12379 B13R0.66 CCCCCCCNC(=O)CCC#N 240690a_100000229938_100011934036 [0,2,0,0,0,0|2,0,0]=4 12380 B13R0.66 CCCCCCCNC(=O)CCC#N 527a_100000229938_100011934036 [0,2,0,0,0,0|2,0,0]=4 12381 B13R0.66 CCCCCCCNC(=O)CCCC 11a_100000229938_100000210183 [0,2,0,0,0,0|2,0,0]=4 12382 B13R0.66 CCCCCCCNC(=O)CCCC 1626a_100000229938_100000210183 [0,2,0,0,0,0|2,0,0]=4 12383 B13R0.66 CCCCCCCNC(=O)CCCC 240690a_100000229938_100000210183 [0,2,0,0,0,0|2,0,0]=4 12384 B13R0.66 CCCCCCCNC(=O)CCCC 527a_100000229938_100000210183 [0,2,0,0,0,0|2,0,0]=4 12385 B13R0.66 CCCCCCCNC(=O)CCOC 11a_100000229938_100000749529 [0,2,0,0,0,0|1,0,0]=3 12386 B13R0.66 CCCCCCCNC(=O)CCOC 1626a_100000229938_100000749529 [0,2,0,0,0,0|1,0,0]=3 12387 B13R0.66 CCCCCCCNC(=O)CCOC 240690a_100000229938_100000749529 [0,2,0,0,0,0|1,0,0]=3 12388 B13R0.66 CCCCCCCNC(=O)CCOC 527a_100000229938_100000749529 [0,2,0,0,0,0|1,0,0]=3 12389 B13R0.66 CCCCCCCNC(=O)CCSC 11a_100000229938_100000174002 [0,2,0,0,0,0|1,1,0]=4 12390 B13R0.66 CCCCCCCNC(=O)CCSC 1626a_100000229938_100000174002 [0,2,0,0,0,0|1,1,0]=4 12391 B13R0.66 CCCCCCCNC(=O)CCSC 240690a_100000229938_100000174002 [0,2,0,0,0,0|1,1,0]=4 12392 B13R0.66 CCCCCCCNC(=O)CCSC 527a_100000229938_100000174002 [0,2,0,0,0,0|1,1,0]=4 12393 B13R0.66 CCCCCCCNC(=O)COCC 11a_100000229938_100000211967 [0,2,0,0,0,0|1,0,0]=3 12394 B13R0.66 CCCCCCCNC(=O)COCC 1626a_100000229938_100000211967 [0,2,0,0,0,0|1,0,0]=3 12395 B13R0.66 CCCCCCCNC(=O)COCC 240690a_100000229938_100000211967 [0,2,0,0,0,0|1,0,0]=3 12396 B13R0.66 CCCCCCCNC(=O)COCC 527a_100000229938_100000211967 [0,2,0,0,0,0|1,0,0]=3 12397 B13R0.66 CCCCCCCNC(=O)CSCC 11a_100000229938_100000230394 [0,2,0,0,0,0|1,1,0]=4 12398 B13R0.66 CCCCCCCNC(=O)CSCC 1626a_100000229938_100000230394 [0,2,0,0,0,0|1,1,0]=4 12399 B13R0.66 CCCCCCCNC(=O)CSCC 240690a_100000229938_100000230394 [0,2,0,0,0,0|1,1,0]=4 12400 B13R0.66 CCCCCCCNC(=O)CSCC 527a_100000229938_100000230394 [0,2,0,0,0,0|1,1,0]=4 12401 B13R0.66 CCCCCCCNC(=O)NCC#N 2708a_100000734998_100000229938 [0,2,0,0,0,0|2,0,0]=4 12402 B13R0.66 CCCCCCCNC(=O)NCC#N 273464a_100000229938_100000734998 [0,2,0,0,0,0|2,0,0]=4 12403 B13R0.66 CCCCCCCNC(=O)NCC#N 273464a_100000734998_100000229938 [0,2,0,0,0,0|2,0,0]=4 12404 B13R0.66 CCCCCCCNC(=O)NCC#N 512a_100000229938_100000734998 [0,2,0,0,0,0|2,0,0]=4 12405 B13R0.66 CCCCCCCNC(=O)NCC#N 512a_100000734998_100000229938 [0,2,0,0,0,0|2,0,0]=4 12406 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100000229938_100020643023 [0,2,0,0,0,0|2,0,0]=4 12407 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100020643023_100000229938 [0,2,0,0,0,0|2,0,0]=4 12408 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100000229938_100020643023 [0,2,0,0,0,0|2,0,0]=4 12409 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100020643023_100000229938 [0,2,0,0,0,0|2,0,0]=4 12410 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100000229938_100020643023 [0,2,0,0,0,0|2,0,0]=4 12411 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100020643023_100000229938 [0,2,0,0,0,0|2,0,0]=4 12412 B13R0.66 CCCCCCCNC(=O)NCCF 2708a_100000229938_100000724931 [0,2,0,0,0,0|2,0,0]=4 12413 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000229938_100000724931 [0,2,0,0,0,0|2,0,0]=4 12414 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000724931_100000229938 [0,2,0,0,0,0|2,0,0]=4 12415 B13R0.66 CCCCCCCNC(=O)NCCF 512a_100000229938_100000724931 [0,2,0,0,0,0|2,0,0]=4 12416 B13R0.66 CCCCCCCNC(=O)NCCO 2708a_100000229938_100000210304 [0,2,0,0,0,0|2,0,0]=4 12417 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000210304_100000229938 [0,2,0,0,0,0|2,0,0]=4 12418 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000229938_100000210304 [0,2,0,0,0,0|2,0,0]=4 12419 B13R0.66 CCCCCCCNC(=O)NCCO 512a_100000229938_100000210304 [0,2,0,0,0,0|2,0,0]=4 12420 B13R0.66 CCCCCCCNC(=O)NNCC 273464a_100000229938_100000756455 [0,2,0,0,0,0|2,0,0]=4 12421 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000229938_100000756455 [0,2,0,0,0,0|2,0,0]=4 12422 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000756455_100000229938 [0,2,0,0,0,0|2,0,0]=4 12423 B13R0.66 CCCCCCNCC(=O)NCC#N 2230a_100000210581_100000736037 [0,2,0,0,0,0|2,0,0]=4 12424 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000174927_100000210314 [0,2,0,0,0,0|2,0,0]=4 12425 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000210581_100000183358 [0,2,0,0,0,0|2,0,0]=4 12426 B13R0.66 CCCCCCNCC(=O)NCCF 2230a_100000725713_100000210314 [0,2,0,0,0,0|2,0,0]=4 12427 B13R0.66 CCCCCCNCC(=O)OCCC 2230a_100000210581_200011215008 [0,2,0,0,0,0|1,0,0]=3 12428 B13R0.66 CCCCCCOCC(=O)NCC#N 7a_100000210259_100000736037 [0,2,0,0,0,0|2,0,0]=4 12429 B13R0.66 CCCCCCOCC(=O)NCCC 34a_100000210259_100000183358 [0,2,0,0,0,0|2,0,0]=4 12430 B13R0.66 CCCCCCOCC(=O)NCCC 7a_100000210259_100000183358 [0,2,0,0,0,0|2,0,0]=4 12431 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [0,2,0,0,0,0|1,0,0]=3 12432 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [0,2,0,0,0,0|1,0,0]=3 12433 B13R0.66 CCCCCCSCC(=O)NCC#N 62a_100000210314_100000736037 [0,2,0,0,0,0|2,0,0]=4 12434 B13R0.66 CCCCCCSCC(=O)NCC#N 62a_100000736037_100000210757 [0,2,0,0,0,0|2,0,0]=4 12435 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000183358_100000210757 [0,2,0,0,0,0|2,0,0]=4 12436 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000210314_100000183358 [0,2,0,0,0,0|2,0,0]=4 12437 B13R0.66 CCCCCCSCC(=O)OCCC 62a_100000210314_200011215008 [0,2,0,0,0,0|1,0,0]=3 12438 B13R0.66 CCCCCCSCC(=O)OCCC 62a_200011215008_100000210757 [0,2,0,0,0,0|1,0,0]=3 12439 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [0,2,0,0,0,0|2,0,0]=4 12440 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [0,2,0,0,0,0|2,0,0]=4 12441 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [0,2,0,0,0,0|2,0,0]=4 12442 B13R0.66 CCCCNCCCC(=O)NCCC 2230a_100000102301_100011194427 [0,2,0,0,0,0|2,0,0]=4 12443 B13R0.66 CCCCNCCCC(=O)NCCC 7a_106832991798_100011194427 [0,2,0,0,0,0|2,0,0]=4 12444 B13R0.66 CCCCOCCCC(=O)NCCC 7a_100000210227_100011194427 [0,2,0,0,0,0|2,0,0]=4 12445 B13R0.66 CCCCOCSCC(=O)OCCC 62a_100011995733_200011215008 [0,2,0,0,0,0|2,0,0]=4 12446 B13R0.66 CCCCOCSCC(=O)OCCC 62a_200011215008_100011995733 [0,2,0,0,0,0|2,0,0]=4 12447 B13R0.66 CCCCSCCCC(=O)NCCC 62a_100000210211_100011194427 [0,2,0,0,0,0|2,0,0]=4 12448 B13R0.66 CCCCSCCCC(=O)NCCC 62a_100011194427_100000210210 [0,2,0,0,0,0|2,0,0]=4 12449 B13R0.66 CCCCSCCNC(=O)C=COC 1626a_100025743550_100016268678 [0,2,0,0,0,0|2,0,0]=4 12450 B13R0.66 CCCCSCCNC(=O)C=COC 240690a_100025743550_100016268678 [0,2,0,0,0,0|2,0,0]=4 12451 B13R0.66 CCCCSCCNC(=O)CCOC 11a_100025743550_100000749529 [0,2,0,0,0,0|2,0,0]=4 12452 B13R0.66 CCCCSCCNC(=O)CCOC 1626a_100025743550_100000749529 [0,2,0,0,0,0|2,0,0]=4 12453 B13R0.66 CCCCSCCNC(=O)CCOC 240690a_100025743550_100000749529 [0,2,0,0,0,0|2,0,0]=4 12454 B13R0.66 CCCCSCCNC(=O)CCOC 527a_100025743550_100000749529 [0,2,0,0,0,0|2,0,0]=4 12455 B13R0.66 CCCCSCCNC(=O)COCC 11a_100025743550_100000211967 [0,2,0,0,0,0|2,0,0]=4 12456 B13R0.66 CCCCSCCNC(=O)COCC 1626a_100025743550_100000211967 [0,2,0,0,0,0|2,0,0]=4 12457 B13R0.66 CCCCSCCNC(=O)COCC 240690a_100025743550_100000211967 [0,2,0,0,0,0|2,0,0]=4 12458 B13R0.66 CCCCSCCNC(=O)COCC 527a_100025743550_100000211967 [0,2,0,0,0,0|2,0,0]=4 12459 B13R0.66 CCCNC(=O)CCCCCCCO 240690a_100020643023_100011219782 [0,2,0,0,0,0|2,0,0]=4 12460 B13R0.66 CCCOC(=O)CNCCCCCO 2230a_100000762737_200011215008 [0,2,0,0,0,0|2,0,0]=4 12461 B13R0.66 CCCOC(=O)CNCCCCCO 34a_100000762737_200011215008 [0,2,0,0,0,0|2,0,0]=4 12462 B13R0.66 CCCOC(=O)CNCCCOCC 2230a_100000210961_200011215008 [0,2,0,0,0,0|2,0,0]=4 12463 B13R0.66 CCCOC(=O)CNCCCOCC 34a_100000210961_200011215008 [0,2,0,0,0,0|2,0,0]=4 12464 B13R0.66 CCCOC(=O)CNCCSCCC 2230a_100020603323_200011215008 [0,2,0,0,0,0|2,0,0]=4 12465 B13R0.66 CCCOC(=O)COCCCCCBr 34a_100000746331_200011215008 [0,2,0,0,0,0|2,0,0]=4 12466 B13R0.66 CCCOC(=O)COCCCCCBr 7a_100000746331_200011215008 [0,2,0,0,0,0|2,0,0]=4 12467 B13R0.66 CCCOC(=O)COCCCCCCl 34a_100000746330_200011215008 [0,2,0,0,0,0|2,0,0]=4 12468 B13R0.66 CCCOC(=O)COCCCCCCl 7a_100000746330_200011215008 [0,2,0,0,0,0|2,0,0]=4 12469 B13R0.66 CCCOC(=O)COCCCCCI 34a_200012148887_200011215008 [0,2,0,0,0,0|2,0,0]=4 12470 B13R0.66 CCCOC(=O)COCCCCCI 7a_200012148887_200011215008 [0,2,0,0,0,0|2,0,0]=4 12471 B13R0.66 CCCOC(=O)COCCCCCN 34a_100000762737_200011215008 [0,2,0,0,0,0|2,0,0]=4 12472 B13R0.66 CCCOC(=O)COCCCCOC 34a_100000740925_200011215008 [0,2,0,0,0,0|2,0,0]=4 12473 B13R0.66 CCCOC(=O)COCCCCSC 34a_100011217163_200011215008 [0,2,0,0,0,0|2,0,0]=4 12474 B13R0.66 CCCOC(=O)COCCCCSC 7a_100011217163_200011215008 [0,2,0,0,0,0|2,0,0]=4 12475 B13R0.66 CCCOC(=O)COCCCOCC 34a_100000757476_200011215008 [0,2,0,0,0,0|2,0,0]=4 12476 B13R0.66 CCCOC(=O)COCCCOCC 7a_100000757476_200011215008 [0,2,0,0,0,0|2,0,0]=4 12477 B13R0.66 CCCOC(=O)COCCCSCC 34a_100011216438_200011215008 [0,2,0,0,0,0|2,0,0]=4 12478 B13R0.66 CCCOC(=O)COCCCSCC 7a_100011216438_200011215008 [0,2,0,0,0,0|2,0,0]=4 12479 B13R0.66 CCCOC(=O)COCCSCCC 34a_200000230433_200011215008 [0,2,0,0,0,0|2,0,0]=4 12480 B13R0.66 CCCOC(=O)COCCSCCC 7a_200000230433_200011215008 [0,2,0,0,0,0|2,0,0]=4 12481 B13R0.66 CCCOC(=O)CSCCCCCF 62a_100000729378_200011215008 [0,2,0,0,0,0|2,0,0]=4 12482 B13R0.66 CCCOC(=O)CSCCCCCF 62a_200011215008_100000729378 [0,2,0,0,0,0|2,0,0]=4 12483 B13R0.66 CCCOC(=O)CSCCCCCO 62a_100000746330_200011215008 [0,2,0,0,0,0|2,0,0]=4 12484 B13R0.66 CCCOC(=O)CSCCCCCO 62a_200011215008_100000746330 [0,2,0,0,0,0|2,0,0]=4 12485 B13R0.66 CCCOC(=O)CSCCCCOC 62a_100000730899_200011215008 [0,2,0,0,0,0|2,0,0]=4 12486 B13R0.66 CCCOC(=O)CSCCCCOC 62a_200011215008_100000730899 [0,2,0,0,0,0|2,0,0]=4 12487 B13R0.66 CCCOC(=O)CSCCCOCC 62a_100012232248_200011215008 [0,2,0,0,0,0|2,0,0]=4 12488 B13R0.66 CCCOC(=O)CSCCCOCC 62a_200011215008_100012232248 [0,2,0,0,0,0|2,0,0]=4 12489 B13R0.66 CCCOCCCNC(=O)C=COC 1626a_100011217757_100016268678 [0,2,0,0,0,0|2,0,0]=4 12490 B13R0.66 CCCOCCCNC(=O)C=COC 240690a_100011217757_100016268678 [0,2,0,0,0,0|2,0,0]=4 12491 B13R0.66 CCCOCCCNC(=O)CCOC 1626a_100011217757_100000749529 [0,2,0,0,0,0|2,0,0]=4 12492 B13R0.66 CCCOCCCNC(=O)CCOC 240690a_100011217757_100000749529 [0,2,0,0,0,0|2,0,0]=4 12493 B13R0.66 CCCOCCCNC(=O)CCOC 527a_100011217757_100000749529 [0,2,0,0,0,0|2,0,0]=4 12494 B13R0.66 CCCOCCCNC(=O)COCC 1626a_100011217757_100000211967 [0,2,0,0,0,0|2,0,0]=4 12495 B13R0.66 CCCOCCCNC(=O)COCC 240690a_100011217757_100000211967 [0,2,0,0,0,0|2,0,0]=4 12496 B13R0.66 CCCOCCCNC(=O)COCC 527a_100011217757_100000211967 [0,2,0,0,0,0|2,0,0]=4 12497 B13R0.66 CCCOCCNCC(=O)OCCC 2230a_100161115042_200011215008 [0,2,0,0,0,0|2,0,0]=4 12498 B13R0.66 CCCOCCNCC(=O)OCCC 34a_100161115042_200011215008 [0,2,0,0,0,0|2,0,0]=4 12499 B13R0.66 CCCOCCOCC(=O)OCCC 34a_100000752267_200011215008 [0,2,0,0,0,0|2,0,0]=4 12500 B13R0.66 CCCOCCOCC(=O)OCCC 7a_100000752267_200011215008 [0,2,0,0,0,0|2,0,0]=4 12501 B13R0.66 CCCOCCSCC(=O)OCCC 62a_100011215938_200011215008 [0,2,0,0,0,0|2,0,0]=4 12502 B13R0.66 CCCOCCSCC(=O)OCCC 62a_200011215008_100011215938 [0,2,0,0,0,0|2,0,0]=4 12503 B13R0.66 CCNNC(=O)CCCCCCCO 22a_100000756455_100011219782 [0,2,0,0,0,0|2,0,0]=4 12504 B13R0.66 CCOCC(=O)CCCCCCC#N 1458a_100000211967_100009813337 [0,2,0,0,0,0|1,0,1]=4 12505 B13R0.66 CCOCC(=O)CCCCCCCO 1458a_100000211967_100000760002 [0,2,0,0,0,0|1,0,0]=3 12506 B13R0.66 CCOCC(=O)CCCCCCOC 1458a_100000211967_100011998445 [0,2,0,0,0,0|1,0,0]=3 12507 B13R0.66 CCOCC(=O)CCCOCCOC 1458a_100000211967_100011216529 [0,2,0,0,0,0|2,0,0]=4 12508 B13R0.66 CCOCC(=O)NCCCCCCO 240690a_100000686447_100000211967 [0,2,0,0,0,0|2,0,0]=4 12509 B13R0.66 CCOCC(=O)NCCCCCCO 527a_100000686447_100000211967 [0,2,0,0,0,0|2,0,0]=4 12510 B13R0.66 CCOCC(=O)NCCCCCOC 11a_100000747528_100000211967 [0,2,0,0,0,0|2,0,0]=4 12511 B13R0.66 CCOCC(=O)NCCCCCOC 1626a_100000747528_100000211967 [0,2,0,0,0,0|2,0,0]=4 12512 B13R0.66 CCOCC(=O)NCCCCCOC 240690a_100000747528_100000211967 [0,2,0,0,0,0|2,0,0]=4 12513 B13R0.66 CCOCC(=O)NCCCCCOC 527a_100000747528_100000211967 [0,2,0,0,0,0|2,0,0]=4 12514 B13R0.66 CCOCCOCCC(=O)C=COC 1458a_100016268678_100011211534 [0,2,0,0,0,0|2,0,0]=4 12515 B13R0.66 CCOCCOCCC(=O)CCOC 1458a_100000749529_100011211534 [0,2,0,0,0,0|2,0,0]=4 12516 B13R0.66 CCOCCOCCC(=O)COCC 1458a_100000211967_100011211534 [0,2,0,0,0,0|2,0,0]=4 12517 B13R0.66 CCSCC(=O)CCCCCCCO 1458a_100000230394_100000760002 [0,2,0,0,0,0|1,1,0]=4 12518 B13R0.66 CCSCC(=O)CCCCCCOC 1458a_100000230394_100011998445 [0,2,0,0,0,0|1,1,0]=4 12519 B13R0.66 COC=CC(=O)CCCCCCC#N 1458a_100016268678_100009813337 [0,2,0,0,0,0|1,0,1]=4 12520 B13R0.66 COC=CC(=O)CCCCCCCO 1458a_100016268678_100000760002 [0,2,0,0,0,0|1,0,0]=3 12521 B13R0.66 COC=CC(=O)CCCCCCOC 1458a_100016268678_100011998445 [0,2,0,0,0,0|1,0,0]=3 12522 B13R0.66 COC=CC(=O)CCCOCCOC 1458a_100016268678_100011216529 [0,2,0,0,0,0|2,0,0]=4 12523 B13R0.66 COC=CC(=O)NCCCCCCO 240690a_100000686447_100016268678 [0,2,0,0,0,0|2,0,0]=4 12524 B13R0.66 COC=CC(=O)NCCCCCOC 1626a_100000747528_100016268678 [0,2,0,0,0,0|2,0,0]=4 12525 B13R0.66 COC=CC(=O)NCCCCCOC 240690a_100000747528_100016268678 [0,2,0,0,0,0|2,0,0]=4 12526 B13R0.66 COCCC(=O)CCCCCCC#N 1458a_100000749529_100009813337 [0,2,0,0,0,0|1,0,1]=4 12527 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100000749529_100000760002 [0,2,0,0,0,0|1,0,0]=3 12528 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100011219782_100000233755 [0,2,0,0,0,0|1,0,0]=3 12529 B13R0.66 COCCC(=O)NCCCCCCO 240690a_100000686447_100000749529 [0,2,0,0,0,0|2,0,0]=4 12530 B13R0.66 COCCC(=O)NCCCCCCO 527a_100000686447_100000749529 [0,2,0,0,0,0|2,0,0]=4 12531 B13R0.66 COCCCCCCC(=O)C#CCO 1458a_100000049017_100011998445 [0,2,0,0,0,0|2,0,0]=4 12532 B13R0.66 COCCCCCCC(=O)CCC#N 1458a_100011934036_100011998445 [0,2,0,0,0,0|2,0,0]=4 12533 B13R0.66 COCCCCCCC(=O)CCOC 1458a_100000749529_100011998445 [0,2,0,0,0,0|1,0,0]=3 12534 B13R0.66 COCCCCCCC(=O)CCSC 1458a_100000174002_100011998445 [0,2,0,0,0,0|1,1,0]=4 12535 B13R0.66 COCCCCCNC(=O)CCOC 11a_100000747528_100000749529 [0,2,0,0,0,0|2,0,0]=4 12536 B13R0.66 COCCCCCNC(=O)CCOC 1626a_100000747528_100000749529 [0,2,0,0,0,0|2,0,0]=4 12537 B13R0.66 COCCCCCNC(=O)CCOC 240690a_100000747528_100000749529 [0,2,0,0,0,0|2,0,0]=4 12538 B13R0.66 COCCCCCNC(=O)CCOC 527a_100000747528_100000749529 [0,2,0,0,0,0|2,0,0]=4 12539 B13R0.66 COCCOCCCC(=O)CCOC 1458a_100000749529_100011216529 [0,2,0,0,0,0|2,0,0]=4 12540 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100000174002_100000760002 [0,2,0,0,0,0|1,1,0]=4 12541 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100011219782_100000751147 [0,2,0,0,0,0|1,1,0]=4 12542 B13R0.66 N#CCCC(=O)CCCCCCCO 1458a_100011219782_100011215226 [0,2,0,0,0,0|2,0,0]=4 12543 B13R0.66 N#CCCC(=O)CCCCCCCO 1458a_100011934036_100000760002 [0,2,0,0,0,0|2,0,0]=4 12544 B13R0.66 O=C(C#CCO)CCCCCCCO 1458a_100000049017_100000760002 [0,2,0,0,0,0|2,0,0]=4 12545 B13R0.66 O=C(CCCCCCCO)NCCF 240690a_100000724931_100011219782 [0,2,0,0,0,0|2,0,0]=4 12546 B13R0.66 O=C(CCCCCCCO)NCCO 240690a_100000210304_100011219782 [0,2,0,0,0,0|2,0,0]=4 12547 B13R0.66 O=C(CCCF)CCCCCCCO 1458a_100011219782_100011934791 [0,2,0,0,0,0|2,0,0]=4 12548 B13R0.66 O=C(CCCO)CCCCCCCO 1458a_100011219782_100011215043 [0,2,0,0,0,0|2,0,0]=4 12549 B13R0.87 C#CC(O)CCCCCC(=O)COC 1458a_100000210968_200010408556 [0,2,0,0,0,0|0,0,2]=4 12550 B13R0.87 C#CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000184674 [0,2,0,0,0,0|0,0,2]=4 12551 B13R0.87 C#CCC(=O)CCCCCC(=O)OC 1458a_100011220946_100009816466 [0,2,0,0,0,0|0,0,2]=4 12552 B13R0.87 C#CCC(C)OCCCCC(=O)OC 34a_100000685586_100000204269 [0,2,0,0,0,0|0,0,2]=4 12553 B13R0.87 C#CCC(C)OCCCCC(=O)OC 7a_100000685586_100000204269 [0,2,0,0,0,0|0,0,2]=4 12554 B13R0.87 C#CCN(C)CCCCCC(=O)OC 2230a_100000225692_100009816466 [0,2,0,0,0,0|0,0,2]=4 12555 B13R0.87 C#CCN(C)CCCCCC(=O)OC 34a_100000225692_100009816466 [0,2,0,0,0,0|0,0,2]=4 12556 B13R0.87 C/C=C/C(C)OCCCCC(=O)OC 34a_200102604097_100000204269 [0,2,0,0,0,0|0,0,2]=4 12557 B13R0.87 C=CCC(=O)CCCCCC(=O)OC 1458a_100000210193_100009816466 [0,2,0,0,0,0|0,0,2]=4 12558 B13R0.87 C=CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210623 [0,2,0,0,0,0|0,0,2]=4 12559 B13R0.87 C=CCC(C)COCCCC(=O)OC 34a_100009832082_100000742333 [0,2,0,0,0,0|0,0,2]=4 12560 B13R0.87 C=CCC(C)COCCCC(=O)OC 7a_100009832082_100011218270 [0,2,0,0,0,0|0,0,2]=4 12561 B13R0.87 C=CCN(C)CCCCCC(=O)OC 2230a_100000225617_100009816466 [0,2,0,0,0,0|0,0,2]=4 12562 B13R0.87 C=CCN(C)CCCCCC(=O)OC 269982a_100000225617_100009816466 [0,2,0,0,0,0|0,0,2]=4 12563 B13R0.87 C=CC[C@@H](C)OCCCCC(=O)OC 34a_100000731007_100000204269 [0,2,0,0,0,0|0,0,2]=4 12564 B13R0.87 C=CC[C@@H](C)OCCCCC(=O)OC 7a_100000731007_100000204269 [0,2,0,0,0,0|0,0,2]=4 12565 B13R0.87 C=CC[C@@H](N)COCCCC(=O)OC 34a_100020615467_100000742333 [0,2,0,0,0,0|0,0,2]=4 12566 B13R0.87 CC#CC(=O)CCCCCC(=O)OC 1458a_100000763181_100009816466 [0,2,0,0,0,0|0,0,2]=4 12567 B13R0.87 CC#CC(C)OCCCCC(=O)OC 34a_100011216543_100000204269 [0,2,0,0,0,0|0,0,2]=4 12568 B13R0.87 CC=CC(=O)CCCCCC(=O)OC 1458a_100000210699_100009816466 [0,2,0,0,0,0|0,0,2]=4 12569 B13R0.87 CCC(C)CCCOCC(=O)NCO 7a_100011216074_100000185155 [0,2,0,0,0,0|2,0,0]=4 12570 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100000211992_100009816466 [0,2,0,0,0,0|0,0,0]=2 12571 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210303 [0,2,0,0,0,0|0,0,0]=2 12572 B13R0.87 CCCC(=O)CNCCCC(=O)NC 2230a_100000740002_100000747444 [0,2,0,0,0,0|1,0,1]=4 12573 B13R0.87 CCCC(=O)COCCCC(C)CC 7a_100011216074_100000747444 [0,2,0,0,0,0|2,0,0]=4 12574 B13R0.87 CCCC(=O)CSCCCC(=O)NC 62a_100000741757_100000747444 [0,2,0,0,0,0|1,0,1]=4 12575 B13R0.87 CCCC(=O)CSCCCC(=O)NC 62a_100000747444_100000741757 [0,2,0,0,0,0|1,0,1]=4 12576 B13R0.87 CCCC(=O)CSCCCC(=O)OC 62a_100000747444_100011218270 [0,2,0,0,0,0|0,0,1]=3 12577 B13R0.87 CCCC(=O)CSCCCC(=O)OC 62a_100011218270_100000747444 [0,2,0,0,0,0|0,0,1]=3 12578 B13R0.87 CCCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000211992 [0,2,0,0,0,0|0,0,1]=3 12579 B13R0.87 CCCC(=O)OCSCCC(=O)OC 62a_100000204255_100000034017 [0,2,0,0,0,0|1,0,1]=4 12580 B13R0.87 CCCC(C)CCCOCC(=O)CC 7a_100011713154_100000747405 [0,2,0,0,0,0|1,0,0]=3 12581 B13R0.87 CCCC(C)CCCOCC(=O)NC 34a_100011713154_100000183359 [0,2,0,0,0,0|1,0,0]=3 12582 B13R0.87 CCCC(C)CCCOCC(=O)NC 7a_100011713154_100000183359 [0,2,0,0,0,0|1,0,0]=3 12583 B13R0.87 CCCC(C)CCCOCC(=O)OC 34a_100011713154_100000747449 [0,2,0,0,0,0|0,0,0]=2 12584 B13R0.87 CCCC(C)CCCOCC(=O)OC 7a_100011713154_100000747449 [0,2,0,0,0,0|0,0,0]=2 12585 B13R0.87 CCCC(C)CCOCCC(=O)NC 34a_100011217855_100012179268 [0,2,0,0,0,0|1,0,0]=3 12586 B13R0.87 CCCC(C)CCOCCC(=O)NC 7a_100011217855_100000737683 [0,2,0,0,0,0|1,0,0]=3 12587 B13R0.87 CCCC(C)CCOCCC(=O)OC 34a_100011217855_100000742370 [0,2,0,0,0,0|0,0,0]=2 12588 B13R0.87 CCCC(C)CCOCCC(=O)OC 7a_100011217855_100000204255 [0,2,0,0,0,0|0,0,0]=2 12589 B13R0.87 CCCC(C)CNCCCC(=O)NC 2230a_100000740002_100011216630 [0,2,0,0,0,0|1,0,0]=3 12590 B13R0.87 CCCC(C)CNCCCC(=O)NC 270004a_100000740002_100000243154 [0,2,0,0,0,0|1,0,0]=3 12591 B13R0.87 CCCC(C)CNCCCC(=O)NC 34a_100000740002_100011216630 [0,2,0,0,0,0|1,0,0]=3 12592 B13R0.87 CCCC(C)CNCCNC(=O)CC 270004a_100132302217_100000243154 [0,2,0,0,0,0|2,0,0]=4 12593 B13R0.87 CCCC(C)CNCCNC(=O)CC 34a_100132302217_100011216630 [0,2,0,0,0,0|2,0,0]=4 12594 B13R0.87 CCCC(C)CNCCNC(=O)NC 34a_100015205895_100011216630 [0,2,0,0,0,0|2,0,0]=4 12595 B13R0.87 CCCC(C)COC/C=C/C(=O)OC 34a_100000688023_100000742655 [0,2,0,0,0,0|0,0,2]=4 12596 B13R0.87 CCCC(C)COC/C=C/C(=O)OC 7a_100000688023_100000742655 [0,2,0,0,0,0|0,0,2]=4 12597 B13R0.87 CCCC(C)COCCCC(=O)NC 34a_100000688023_100000741757 [0,2,0,0,0,0|1,0,0]=3 12598 B13R0.87 CCCC(C)COCCCC(=O)NC 7a_100000688023_100000741757 [0,2,0,0,0,0|1,0,0]=3 12599 B13R0.87 CCCC(C)COCCCC(=O)NN 34a_100000211488_100011216630 [0,2,0,0,0,0|2,0,0]=4 12600 B13R0.87 CCCC(C)COCCCC(=O)OC 34a_100000688023_100000742333 [0,2,0,0,0,0|0,0,0]=2 12601 B13R0.87 CCCC(C)COCCCC(=O)OC 7a_100000688023_100011218270 [0,2,0,0,0,0|0,0,0]=2 12602 B13R0.87 CCCC(C)COCCNC(=O)CC 34a_200000158885_100011216630 [0,2,0,0,0,0|2,0,0]=4 12603 B13R0.87 CCCC(C)COCCNC(=O)CC 7a_200000158885_100011216630 [0,2,0,0,0,0|2,0,0]=4 12604 B13R0.87 CCCC(C)COCCNC(=O)OC 34a_100000757965_100011216630 [0,2,0,0,0,0|1,0,0]=3 12605 B13R0.87 CCCC(C)COCCOC(=O)CC 7a_200000031056_100011216630 [0,2,0,0,0,0|2,0,0]=4 12606 B13R0.87 CCCC(C)COCCOC(=O)NC 34a_100000688023_200011997002 [0,2,0,0,0,0|2,0,0]=4 12607 B13R0.87 CCCC(C)COCCOC(=O)NC 7a_100000688023_200011997002 [0,2,0,0,0,0|2,0,0]=4 12608 B13R0.87 CCCC(C)COCCOC(=O)OC 34a_100010262106_100011216630 [0,2,0,0,0,0|1,0,0]=3 12609 B13R0.87 CCCC(C)CSC/C=C/C(=O)OC 62a_100000742655_100011216630 [0,2,0,0,0,0|0,0,2]=4 12610 B13R0.87 CCCC(C)CSC/C=C/C(=O)OC 62a_100011216630_100000742655 [0,2,0,0,0,0|0,0,2]=4 12611 B13R0.87 CCCC(C)CSCCCC(=O)NC 62a_100000741757_100011216630 [0,2,0,0,0,0|1,0,0]=3 12612 B13R0.87 CCCC(C)CSCCCC(=O)NC 62a_100011216630_100000741757 [0,2,0,0,0,0|1,0,0]=3 12613 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011216630_100011218270 [0,2,0,0,0,0|0,0,0]=2 12614 B13R0.87 CCCC(C)CSCCCC(=O)OC 62a_100011218270_100011216630 [0,2,0,0,0,0|0,0,0]=2 12615 B13R0.87 CCCC(C)CSCCOC(=O)NC 62a_100011216630_200011997002 [0,2,0,0,0,0|2,0,0]=4 12616 B13R0.87 CCCC(C)CSCCOC(=O)NC 62a_200011997002_100011216630 [0,2,0,0,0,0|2,0,0]=4 12617 B13R0.87 CCCC(C)NCCCCC(=O)OC 2230a_100000741246_100000204269 [0,2,0,0,0,0|0,0,0]=2 12618 B13R0.87 CCCC(C)NCCOCC(=O)OC 2230a_100000741246_100000090808 [0,2,0,0,0,0|1,0,0]=3 12619 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000059025_100000766640 [0,2,0,0,0,0|0,0,0]=2 12620 B13R0.87 CCCC(C)OCCCCC(=O)OC 34a_100000764384_100000204269 [0,2,0,0,0,0|0,0,0]=2 12621 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000059025_100000766640 [0,2,0,0,0,0|0,0,0]=2 12622 B13R0.87 CCCC(C)OCCCCC(=O)OC 7a_100000764384_100000204269 [0,2,0,0,0,0|0,0,0]=2 12623 B13R0.87 CCCC(C)OCCOCC(=O)OC 34a_100000764384_100000090808 [0,2,0,0,0,0|1,0,0]=3 12624 B13R0.87 CCCC(C)OCCOCC(=O)OC 7a_100000764384_100000090808 [0,2,0,0,0,0|1,0,0]=3 12625 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000204269_100000766640 [0,2,0,0,0,0|0,0,0]=2 12626 B13R0.87 CCCC(C)SCCCCC(=O)OC 62a_100000766640_100000204269 [0,2,0,0,0,0|0,0,0]=2 12627 B13R0.87 CCCC(C)SCCOCC(=O)OC 62a_100000090808_100000766640 [0,2,0,0,0,0|1,0,0]=3 12628 B13R0.87 CCCC(C)SCCOCC(=O)OC 62a_100000766640_100000090808 [0,2,0,0,0,0|1,0,0]=3 12629 B13R0.87 CCCN(C)CCCCCC(=O)OC 2230a_100000747261_100009816466 [0,2,0,0,0,0|0,0,0]=2 12630 B13R0.87 CCCN(C)CCCCCC(=O)OC 269982a_100000747261_100009816466 [0,2,0,0,0,0|0,0,0]=2 12631 B13R0.87 CCC[C@H](N)CCOCCC(=O)NC 34a_100015193777_100012179268 [0,2,0,0,0,0|1,0,0]=3 12632 B13R0.87 CCC[C@H](N)CCOCCC(=O)OC 34a_100015193777_100000742370 [0,2,0,0,0,0|0,0,0]=2 12633 B13R0.87 CCC[C@H](N)COC/C=C/C(=O)OC 34a_100000732646_100000742655 [0,2,0,0,0,0|0,0,2]=4 12634 B13R0.87 CCC[C@H](N)COCCCC(=O)NC 34a_100000732646_100000741757 [0,2,0,0,0,0|1,0,0]=3 12635 B13R0.87 CCC[C@H](N)COCCCC(=O)OC 34a_100000732646_100000742333 [0,2,0,0,0,0|0,0,0]=2 12636 B13R0.87 CCC[C@H](N)COCCOC(=O)NC 34a_100000732646_200011997002 [0,2,0,0,0,0|2,0,0]=4 12637 B13R0.87 CCNC(=O)CCCCCC(=O)OC 11a_100015525214_100009848860 [0,2,0,0,0,0|0,0,1]=3 12638 B13R0.87 CCNC(=O)CCCCCC(=O)OC 240690a_100015525214_100009848860 [0,2,0,0,0,0|0,0,1]=3 12639 B13R0.87 CCNC(=O)CCNCCC(=O)OC 34a_100025743525_100000742370 [0,2,0,0,0,0|1,0,1]=4 12640 B13R0.87 CCNC(=O)CCNCCC(C)CC 2230a_100020591266_100000737597 [0,2,0,0,0,0|2,0,0]=4 12641 B13R0.87 CCNC(=O)CCOCCC(C)CC 7a_100011215188_100000737597 [0,2,0,0,0,0|2,0,0]=4 12642 B13R0.87 CCNC(=O)CCSCCC(=O)OC 62a_100000204255_100000737597 [0,2,0,0,0,0|1,0,1]=4 12643 B13R0.87 CCNC(=O)CCSCCC(=O)OC 62a_100000737597_100000204255 [0,2,0,0,0,0|1,0,1]=4 12644 B13R0.87 CCNC(=O)CNCCCC(=O)OC 2230a_100016988866_100011218270 [0,2,0,0,0,0|1,0,1]=4 12645 B13R0.87 CCNC(=O)COCCCC(C)CC 7a_100011216074_100000183381 [0,2,0,0,0,0|2,0,0]=4 12646 B13R0.87 CCNC(=O)CSCCCC(=O)OC 62a_100000183381_100011218270 [0,2,0,0,0,0|1,0,1]=4 12647 B13R0.87 CCNC(=O)CSCCCC(=O)OC 62a_100011218270_100000183381 [0,2,0,0,0,0|1,0,1]=4 12648 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000037472_100000210202 [0,2,0,0,0,0|0,0,1]=3 12649 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000210414_100000755133 [0,2,0,0,0,0|0,0,1]=3 12650 B13R0.87 CCOC(=O)CCCCCC(=O)CF 1458a_100000037472_100015361967 [0,2,0,0,0,0|1,0,1]=4 12651 B13R0.87 CCOC(=O)CCCCCC(=O)CO 1458a_100000210174_100000755133 [0,2,0,0,0,0|1,0,1]=4 12652 B13R0.87 CCOC(=O)CCCCCC(=O)NC 11a_106832991635_100000037472 [0,2,0,0,0,0|1,0,1]=4 12653 B13R0.87 CCOC(=O)CCCCCC(=O)NC 1626a_100102657272_100000037472 [0,2,0,0,0,0|1,0,1]=4 12654 B13R0.87 CCOC(=O)CCCCCC(=O)NC 240690a_100102657272_100000037472 [0,2,0,0,0,0|1,0,1]=4 12655 B13R0.87 CCOC(=O)CCCCCC(=O)NC 527a_100102657272_100000037472 [0,2,0,0,0,0|1,0,1]=4 12656 B13R0.87 CCOC(=O)CCCCCN(C)CC 2230a_100000225621_100000755133 [0,2,0,0,0,0|1,0,0]=3 12657 B13R0.87 CCOC(=O)CCCCCN(C)CC 269982a_100000225621_100000755133 [0,2,0,0,0,0|1,0,0]=3 12658 B13R0.87 CCOC(=O)CCCCNC(=O)CC 188690a_100000718961_100000210414 [0,2,0,0,0,0|1,0,1]=4 12659 B13R0.87 CCOC(=O)CCCCNC(C)CC 2230a_100000209981_100000750268 [0,2,0,0,0,0|1,0,0]=3 12660 B13R0.87 CCOC(=O)CCCCN[C@H](C)CO 2230a_100000737577_100000750268 [0,2,0,0,0,0|2,0,0]=4 12661 B13R0.87 CCOC(=O)CCCCOC(C)CC 7a_100000210228_100000750268 [0,2,0,0,0,0|1,0,0]=3 12662 B13R0.87 CCOC(=O)CCCCOC(C)CF 34a_100016041109_100000750268 [0,2,0,0,0,0|2,0,0]=4 12663 B13R0.87 CCOC(=O)CCCCOC(C)CF 7a_100016041109_100000750268 [0,2,0,0,0,0|2,0,0]=4 12664 B13R0.87 CCOC(=O)CCCCOC(C)CN 34a_100000210904_100000750268 [0,2,0,0,0,0|2,0,0]=4 12665 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000750268_100000758301 [0,2,0,0,0,0|1,0,0]=3 12666 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000758301_100000750268 [0,2,0,0,0,0|1,0,0]=3 12667 B13R0.87 CCOC(=O)CCCCSC(C)CO 62a_100012180447_100000750268 [0,2,0,0,0,0|2,0,0]=4 12668 B13R0.87 CCOC(=O)CCCCSC(C)OC 62a_100000750268_100009879195 [0,2,0,0,0,0|2,0,0]=4 12669 B13R0.87 CCOC(=O)CCCCSC(C)OC 62a_100009879195_100000750268 [0,2,0,0,0,0|2,0,0]=4 12670 B13R0.87 CCOC(=O)CCCCS[C@H](C)CO 62a_100000750268_100016084084 [0,2,0,0,0,0|2,0,0]=4 12671 B13R0.87 CCOC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000750268 [0,2,0,0,0,0|2,0,0]=4 12672 B13R0.87 CCOC(=O)CCCNCC(C)CC 2230a_100020588543_100009991533 [0,2,0,0,0,0|1,0,0]=3 12673 B13R0.87 CCOC(=O)CCCNCC(C)CO 34a_100000744482_100009991533 [0,2,0,0,0,0|2,0,0]=4 12674 B13R0.87 CCOC(=O)CCCNCC(O)CC 2230a_100011218483_100009991533 [0,2,0,0,0,0|1,0,0]=3 12675 B13R0.87 CCOC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100009991533 [0,2,0,0,0,0|2,0,0]=4 12676 B13R0.87 CCOC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100009991533 [0,2,0,0,0,0|2,0,0]=4 12677 B13R0.87 CCOC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100009991533 [0,2,0,0,0,0|2,0,0]=4 12678 B13R0.87 CCOC(=O)CCCOCC(=O)CC 34a_100000725409_100009991533 [0,2,0,0,0,0|1,0,1]=4 12679 B13R0.87 CCOC(=O)CCCOCC(=O)CC 7a_100012001163_100000747405 [0,2,0,0,0,0|1,0,1]=4 12680 B13R0.87 CCOC(=O)CCCOCC(=O)OC 7a_100012001163_100000747449 [0,2,0,0,0,0|1,0,1]=4 12681 B13R0.87 CCOC(=O)CCCOCC(C)CC 7a_100012001163_100000748023 [0,2,0,0,0,0|1,0,0]=3 12682 B13R0.87 CCOC(=O)CCCOCC(C)CN 34a_100000744482_100009991533 [0,2,0,0,0,0|2,0,0]=4 12683 B13R0.87 CCOC(=O)CCCOCC(C)OC 34a_100000690652_100009991533 [0,2,0,0,0,0|2,0,0]=4 12684 B13R0.87 CCOC(=O)CCCOCC(Cl)CCl 34a_100000033668_100009991533 [0,2,0,0,0,0|2,0,0]=4 12685 B13R0.87 CCOC(=O)CCCOCC(O)CC 7a_100012001163_100011218378 [0,2,0,0,0,0|1,0,0]=3 12686 B13R0.87 CCOC(=O)CCCOCC(O)CO 7a_100012001163_100011219619 [0,2,0,0,0,0|2,0,0]=4 12687 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100009816381_100011215271 [0,2,0,0,0,0|1,0,0]=3 12688 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100012001163_100009816398 [0,2,0,0,0,0|1,0,0]=3 12689 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CO 7a_100012001163_100000059175 [0,2,0,0,0,0|2,0,0]=4 12690 B13R0.87 CCOC(=O)CCCOC[C@@H](O)CF 7a_100012001163_100015614560 [0,2,0,0,0,0|2,0,0]=4 12691 B13R0.87 CCOC(=O)CCCOC[C@@H](O)CO 7a_100012001163_100009815848 [0,2,0,0,0,0|2,0,0]=4 12692 B13R0.87 CCOC(=O)CCCOC[C@H](F)CN 34a_100015665980_100009991533 [0,2,0,0,0,0|2,0,0]=4 12693 B13R0.87 CCOC(=O)CCCSCC(=O)CC 62a_100000747405_100009991533 [0,2,0,0,0,0|1,0,1]=4 12694 B13R0.87 CCOC(=O)CCCSCC(=O)CC 62a_100009991533_100000747405 [0,2,0,0,0,0|1,0,1]=4 12695 B13R0.87 CCOC(=O)CCCSCC(=O)OC 62a_100000747449_100009991533 [0,2,0,0,0,0|1,0,1]=4 12696 B13R0.87 CCOC(=O)CCCSCC(=O)OC 62a_100009991533_100000747449 [0,2,0,0,0,0|1,0,1]=4 12697 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100000748023_100009991533 [0,2,0,0,0,0|1,0,0]=3 12698 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100009991533_100000748023 [0,2,0,0,0,0|1,0,0]=3 12699 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100009991533_100011218378 [0,2,0,0,0,0|1,0,0]=3 12700 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100011218378_100009991533 [0,2,0,0,0,0|1,0,0]=3 12701 B13R0.87 CCOC(=O)CCCSCC(O)CO 62a_100009991533_100011219619 [0,2,0,0,0,0|2,0,0]=4 12702 B13R0.87 CCOC(=O)CCCSCC(O)CO 62a_100011219619_100009991533 [0,2,0,0,0,0|2,0,0]=4 12703 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009816398_100009991533 [0,2,0,0,0,0|1,0,0]=3 12704 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009991533_100009816398 [0,2,0,0,0,0|1,0,0]=3 12705 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100009991533 [0,2,0,0,0,0|2,0,0]=4 12706 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CO 62a_100009991533_100000059175 [0,2,0,0,0,0|2,0,0]=4 12707 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CF 62a_100009991533_100015614560 [0,2,0,0,0,0|2,0,0]=4 12708 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100009991533 [0,2,0,0,0,0|2,0,0]=4 12709 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100009991533 [0,2,0,0,0,0|2,0,0]=4 12710 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CO 62a_100009991533_100009815848 [0,2,0,0,0,0|2,0,0]=4 12711 B13R0.87 CCOC(=O)CCNCCC(C)CC 2230a_100020591266_100011206558 [0,2,0,0,0,0|1,0,0]=3 12712 B13R0.87 CCOC(=O)CCNCCC(C)CO 2230a_106354213184_100011206558 [0,2,0,0,0,0|2,0,0]=4 12713 B13R0.87 CCOC(=O)CCNCCC(C)CO 34a_106354213184_100000765890 [0,2,0,0,0,0|2,0,0]=4 12714 B13R0.87 CCOC(=O)CCOCCC(C)CC 7a_100011215188_100011206558 [0,2,0,0,0,0|1,0,0]=3 12715 B13R0.87 CCOC(=O)CCOCCC(C)OC 7a_100000764861_100011206558 [0,2,0,0,0,0|2,0,0]=4 12716 B13R0.87 CCOC(=O)CCSCCC(=O)OC 62a_100000204255_100000765890 [0,2,0,0,0,0|1,0,1]=4 12717 B13R0.87 CCOC(=O)CCSCCC(=O)OC 62a_100000765890_100000204255 [0,2,0,0,0,0|1,0,1]=4 12718 B13R0.87 CCOC(=O)COCCCC(=O)CC 1458a_100000210414_100009893628 [0,2,0,0,0,0|1,0,1]=4 12719 B13R0.87 CCOC(=O)COCCCC(C)CC 7a_100011216074_100000188475 [0,2,0,0,0,0|1,0,0]=3 12720 B13R0.87 CCOC(=O)COCCCN(C)CC 2230a_100000225621_100009893628 [0,2,0,0,0,0|2,0,0]=4 12721 B13R0.87 CCOC(=O)COCCCN(C)CC 269982a_100000225621_100009893628 [0,2,0,0,0,0|2,0,0]=4 12722 B13R0.87 CCOC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000188475 [0,2,0,0,0,0|2,0,0]=4 12723 B13R0.87 CCOC(=O)COCCNC(C)CC 2230a_100000209981_100000088970 [0,2,0,0,0,0|2,0,0]=4 12724 B13R0.87 CCOC(=O)COCCOC(C)CC 7a_100000210228_100000088970 [0,2,0,0,0,0|2,0,0]=4 12725 B13R0.87 CCOC(=O)COCCSC(C)CC 62a_100000088970_100000758301 [0,2,0,0,0,0|2,0,0]=4 12726 B13R0.87 CCOC(=O)COCCSC(C)CC 62a_100000758301_100000088970 [0,2,0,0,0,0|2,0,0]=4 12727 B13R0.87 CCOC(=O)CSCCCC(=O)OC 62a_100000188475_100011218270 [0,2,0,0,0,0|1,0,1]=4 12728 B13R0.87 CCOC(=O)CSCCCC(=O)OC 62a_100011218270_100000188475 [0,2,0,0,0,0|1,0,1]=4 12729 B13R0.87 CCOC(=O)CSCCCN(C)CC 62a_100000188475_100015186262 [0,2,0,0,0,0|2,0,0]=4 12730 B13R0.87 CCOC(=O)CSCCOC(C)CC 7a_200000230590_100000758301 [0,2,0,0,0,0|2,0,0]=4 12731 B13R0.87 CCOC(=O)NCCOCC(C)CC 34a_100000158857_100000748023 [0,2,0,0,0,0|2,0,0]=4 12732 B13R0.87 CCOC(=O)NCCOCC(O)CC 34a_100000158857_100011218378 [0,2,0,0,0,0|2,0,0]=4 12733 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 34a_100000158857_100009816398 [0,2,0,0,0,0|2,0,0]=4 12734 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 7a_100009816381_200011445536 [0,2,0,0,0,0|2,0,0]=4 12735 B13R0.87 CCOC(=O)NCCSCC(C)CC 62a_100000748023_200011445536 [0,2,0,0,0,0|2,0,0]=4 12736 B13R0.87 CCOC(=O)NCCSCC(O)CC 62a_100011218378_200011445536 [0,2,0,0,0,0|2,0,0]=4 12737 B13R0.87 CCOC(=O)NCCSC[C@@H](C)CC 62a_100009816398_200011445536 [0,2,0,0,0,0|2,0,0]=4 12738 B13R0.87 CNC(=O)CCCNCC(O)COC 2230a_100000756049_100000741757 [0,2,0,0,0,0|2,0,0]=4 12739 B13R0.87 CNC(=O)CCCNCC(O)COC 34a_100000740002_100011215053 [0,2,0,0,0,0|2,0,0]=4 12740 B13R0.87 CNC(=O)CCCNCC(O)COC 34a_100000756049_100000741757 [0,2,0,0,0,0|2,0,0]=4 12741 B13R0.87 CNC(=O)CCCOCC(C)CCN 34a_106354213184_100000741757 [0,2,0,0,0,0|2,0,0]=4 12742 B13R0.87 CNC(=O)CCCOCC(N)COC 34a_100000724102_100000741757 [0,2,0,0,0,0|2,0,0]=4 12743 B13R0.87 CNC(=O)CCCSCC(O)COC 62a_100000741757_100011215053 [0,2,0,0,0,0|2,0,0]=4 12744 B13R0.87 CNC(=O)CCCSCC(O)COC 62a_100011215053_100000741757 [0,2,0,0,0,0|2,0,0]=4 12745 B13R0.87 CNNC(=O)CCCCCC(=O)OC 22a_100016993582_100009848860 [0,2,0,0,0,0|1,0,1]=4 12746 B13R0.87 COC(=O)CCCCCC(=O)CC#N 1458a_100009848860_100011214920 [0,2,0,0,0,0|0,0,2]=4 12747 B13R0.87 COC(=O)CCCCCC(=O)CC#N 1458a_100051588842_100009816466 [0,2,0,0,0,0|0,0,2]=4 12748 B13R0.87 COC(=O)CCCCCC(=O)CCF 1458a_100009848860_100011217306 [0,2,0,0,0,0|0,0,1]=3 12749 B13R0.87 COC(=O)CCCCCC(=O)CCO 1458a_100009848860_100000211926 [0,2,0,0,0,0|0,0,1]=3 12750 B13R0.87 COC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009816466 [0,2,0,0,0,0|0,0,1]=3 12751 B13R0.87 COC(=O)CCCCCC(=O)CSC 1458a_100000184570_100009816466 [0,2,0,0,0,0|0,0,1]=3 12752 B13R0.87 COC(=O)CCCCCN(C)CC#N 2230a_100000748184_100009816466 [0,2,0,0,0,0|1,0,1]=4 12753 B13R0.87 COC(=O)CCCCCN(C)CCO 2230a_100000210263_100009816466 [0,2,0,0,0,0|1,0,0]=3 12754 B13R0.87 COC(=O)CCCCCN(C)CCO 269982a_100000210263_100009816466 [0,2,0,0,0,0|1,0,0]=3 12755 B13R0.87 COC(=O)CCCCNC(=O)CSC 188690a_100000746077_100000184570 [0,2,0,0,0,0|1,0,1]=4 12756 B13R0.87 COC(=O)CCCCN[C@@H](C)CC#N 2230a_100016994482_100000204269 [0,2,0,0,0,0|1,0,1]=4 12757 B13R0.87 COC(=O)CCCCN[C@H](C)CCO 2230a_100000706166_100000204269 [0,2,0,0,0,0|1,0,0]=3 12758 B13R0.87 COC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100000204269 [0,2,0,0,0,0|1,0,0]=3 12759 B13R0.87 COC(=O)CCCCOC(C)CC#N 7a_100000059025_100009813641 [0,2,0,0,0,0|1,0,1]=4 12760 B13R0.87 COC(=O)CCCCOC(C)CCBr 34a_100012276601_100000204269 [0,2,0,0,0,0|1,0,0]=3 12761 B13R0.87 COC(=O)CCCCOC(C)CCO 34a_100000059025_100009893172 [0,2,0,0,0,0|1,0,0]=3 12762 B13R0.87 COC(=O)CCCCOC(C)CCO 7a_100000059025_100009893172 [0,2,0,0,0,0|1,0,0]=3 12763 B13R0.87 COC(=O)CCCCSC(C)CC#N 62a_100000204269_100009813641 [0,2,0,0,0,0|1,0,1]=4 12764 B13R0.87 COC(=O)CCCCSC(C)CC#N 62a_100009813641_100000204269 [0,2,0,0,0,0|1,0,1]=4 12765 B13R0.87 COC(=O)CCCCSC(C)CCO 62a_100000204269_100009893172 [0,2,0,0,0,0|1,0,0]=3 12766 B13R0.87 COC(=O)CCCCSC(C)CCO 62a_100009893172_100000204269 [0,2,0,0,0,0|1,0,0]=3 12767 B13R0.87 COC(=O)CCCOCC(C)CCN 34a_106354213184_100000742333 [0,2,0,0,0,0|1,0,0]=3 12768 B13R0.87 COC(=O)CCCSC[C@@H](O)CC#N 62a_100000001066_100011218270 [0,2,0,0,0,0|1,0,1]=4 12769 B13R0.87 COC(=O)CCCSC[C@@H](O)CC#N 62a_100011218270_100000001066 [0,2,0,0,0,0|1,0,1]=4 12770 B13R0.87 COC(=O)COCCN[C@H](C)CCO 2230a_100000706166_100000090808 [0,2,0,0,0,0|2,0,0]=4 12771 B13R0.87 COC(=O)COCCN[C@H](C)CCO 34a_100000706166_100000090808 [0,2,0,0,0,0|2,0,0]=4 12772 B13R0.87 COC(=O)COCCOC(C)CCBr 34a_100012276601_100000090808 [0,2,0,0,0,0|2,0,0]=4 12773 B13R0.87 COC(=O)COCCSC(C)CCO 62a_100000090808_100009893172 [0,2,0,0,0,0|2,0,0]=4 12774 B13R0.87 COC(=O)COCCSC(C)CCO 62a_100009893172_100000090808 [0,2,0,0,0,0|2,0,0]=4 12775 B13R0.87 COCC(=O)CCCCCC(=O)OC 1458a_100000210968_100009816466 [0,2,0,0,0,0|0,0,1]=3 12776 B13R0.87 COCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210968 [0,2,0,0,0,0|1,0,1]=4 12777 B13R0.87 COCC(C)OCCCCC(=O)OC 34a_100000059025_100000765312 [0,2,0,0,0,0|1,0,0]=3 12778 B13R0.87 COCC(C)OCCCCC(=O)OC 7a_100000059025_100000765312 [0,2,0,0,0,0|1,0,0]=3 12779 B13R0.87 COCC(C)SCCCCC(=O)OC 62a_100000204269_100000765312 [0,2,0,0,0,0|1,0,0]=3 12780 B13R0.87 COCC(C)SCCCCC(=O)OC 62a_100000765312_100000204269 [0,2,0,0,0,0|1,0,0]=3 12781 B13R0.87 COCC(C)SCCOCC(=O)OC 62a_100000090808_100000765312 [0,2,0,0,0,0|2,0,0]=4 12782 B13R0.87 COCC(C)SCCOCC(=O)OC 62a_100000765312_100000090808 [0,2,0,0,0,0|2,0,0]=4 12783 B13R0.87 COCC(N)COCCCC(=O)OC 34a_100000724102_100000742333 [0,2,0,0,0,0|1,0,0]=3 12784 B13R0.87 COCC(O)CNCCCC(=O)OC 2230a_100000756049_100011218270 [0,2,0,0,0,0|1,0,0]=3 12785 B13R0.87 COCC(O)CNCCCC(=O)OC 34a_100000756049_100000742333 [0,2,0,0,0,0|1,0,0]=3 12786 B13R0.87 COCC(O)COCCNC(=O)OC 34a_100000757965_100011215053 [0,2,0,0,0,0|2,0,0]=4 12787 B13R0.87 COCC(O)COCCOC(=O)OC 34a_100010262106_100011215053 [0,2,0,0,0,0|2,0,0]=4 12788 B13R0.87 COCC(O)CSCCCC(=O)OC 62a_100011215053_100011218270 [0,2,0,0,0,0|1,0,0]=3 12789 B13R0.87 COCC(O)CSCCCC(=O)OC 62a_100011218270_100011215053 [0,2,0,0,0,0|1,0,0]=3 12790 B13R0.87 COC[C@@H](C)NCCCCC(=O)OC 2230a_100000764878_100000204269 [0,2,0,0,0,0|1,0,0]=3 12791 B13R0.87 COC[C@@H](C)NCCOCC(=O)OC 2230a_100000764878_100000090808 [0,2,0,0,0,0|2,0,0]=4 12792 B13R0.87 COC[C@@H](C)OCCCCC(=O)OC 34a_100011934205_100000204269 [0,2,0,0,0,0|1,0,0]=3 12793 B13R0.87 COC[C@@H](C)OCCOCC(=O)OC 34a_100011934205_100000090808 [0,2,0,0,0,0|2,0,0]=4 12794 B13R0.88 C#CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000184674 [0,2,0,0,0,0|1,0,1]=4 12795 B13R0.88 C=C(C)CCOCCCC(=O)OCC 34a_100000764851_100009991533 [0,2,0,0,0,0|1,0,1]=4 12796 B13R0.88 C=C(C)CCOCCCC(=O)OCC 7a_100012001163_100000730704 [0,2,0,0,0,0|1,0,1]=4 12797 B13R0.88 C=C(C)CCSCCCC(=O)OCC 62a_100000730704_100009991533 [0,2,0,0,0,0|1,0,1]=4 12798 B13R0.88 C=C(C)CCSCCCC(=O)OCC 62a_100009991533_100000730704 [0,2,0,0,0,0|1,0,1]=4 12799 B13R0.88 C=C(C)COCCCCC(=O)OCC 34a_100000210245_100000750268 [0,2,0,0,0,0|1,0,1]=4 12800 B13R0.88 C=C(C)CSCCCCC(=O)OCC 62a_100000748629_100000750268 [0,2,0,0,0,0|1,0,1]=4 12801 B13R0.88 C=C(C)CSCCCCC(=O)OCC 62a_100000750268_100000211660 [0,2,0,0,0,0|1,0,1]=4 12802 B13R0.88 C=CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210623 [0,2,0,0,0,0|1,0,1]=4 12803 B13R0.88 C=COC(=O)COCCCCC(C)C 34a_100011214890_100000036128 [0,2,0,0,0,0|1,0,1]=4 12804 B13R0.88 C=COC(=O)CSCCCCC(C)C 62a_100000036128_100011216152 [0,2,0,0,0,0|1,0,1]=4 12805 B13R0.88 C=COC(=O)CSCCCCC(C)C 62a_100011216152_100000036128 [0,2,0,0,0,0|1,0,1]=4 12806 B13R0.88 CC(C)CCCCCCC(=O)CC#N 1458a_100000040743_100011214920 [0,2,0,0,0,0|1,0,1]=4 12807 B13R0.88 CC(C)CCCCCCC(=O)CCF 1458a_100000040743_100011217306 [0,2,0,0,0,0|1,0,0]=3 12808 B13R0.88 CC(C)CCCCCCC(=O)CCO 1458a_100000040743_100000211926 [0,2,0,0,0,0|1,0,0]=3 12809 B13R0.88 CC(C)CCCCCNC(=O)CCO 240690a_100011290863_100011216618 [0,2,0,0,0,0|2,0,0]=4 12810 B13R0.88 CC(C)CCCCOCC(=O)NCO 34a_100011214890_100000185155 [0,2,0,0,0,0|2,0,0]=4 12811 B13R0.88 CC(C)CCCCOCC(=O)NCO 7a_100011214890_100000185155 [0,2,0,0,0,0|2,0,0]=4 12812 B13R0.88 CC(C)CCCCSCC(=O)NCO 62a_100000185155_100011216152 [0,2,0,0,0,0|2,0,0]=4 12813 B13R0.88 CC(C)CCCCSCC(=O)NCO 62a_100011216152_100000185155 [0,2,0,0,0,0|2,0,0]=4 12814 B13R0.88 CC=CC(=O)NCCCCCC(C)C 1626a_100011290863_100000210699 [0,2,0,0,0,0|2,0,0]=4 12815 B13R0.88 CC=CC(=O)NCCCCCC(C)C 240690a_100011290863_100000210699 [0,2,0,0,0,0|2,0,0]=4 12816 B13R0.88 CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210303 [0,2,0,0,0,0|1,0,0]=3 12817 B13R0.88 CCCC(=O)COCCCCC(C)C 7a_100011214890_100000747444 [0,2,0,0,0,0|2,0,0]=4 12818 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100000747444_100011216152 [0,2,0,0,0,0|2,0,0]=4 12819 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100011216152_100000747444 [0,2,0,0,0,0|2,0,0]=4 12820 B13R0.88 CCCC(=O)NCCCCCC(C)C 1626a_100011290863_100000211992 [0,2,0,0,0,0|2,0,0]=4 12821 B13R0.88 CCCC(=O)NCCCCCC(C)C 240690a_100011290863_100000211992 [0,2,0,0,0,0|2,0,0]=4 12822 B13R0.88 CCCC(=O)NCCCCCC(C)C 527a_100011290863_100000211992 [0,2,0,0,0,0|2,0,0]=4 12823 B13R0.88 CCNC(=O)CCCCCCC(C)C 11a_100015525214_100000040743 [0,2,0,0,0,0|1,0,0]=3 12824 B13R0.88 CCNC(=O)CCCCCCC(C)C 240690a_100015525214_100000040743 [0,2,0,0,0,0|1,0,0]=3 12825 B13R0.88 CCNC(=O)CCCCCCC(C)C 527a_100015525214_100000040743 [0,2,0,0,0,0|1,0,0]=3 12826 B13R0.88 CCNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737597 [0,2,0,0,0,0|2,0,0]=4 12827 B13R0.88 CCNC(=O)CCNCCCC(C)C 34a_100025743525_100011214892 [0,2,0,0,0,0|2,0,0]=4 12828 B13R0.88 CCNC(=O)CCNCCCC(C)O 34a_100025743525_200000718107 [0,2,0,0,0,0|2,0,0]=4 12829 B13R0.88 CCNC(=O)CCOCCCC(C)C 7a_100000210774_100000737597 [0,2,0,0,0,0|2,0,0]=4 12830 B13R0.88 CCNC(=O)CCSCCCC(C)C 62a_100000737597_100011214892 [0,2,0,0,0,0|2,0,0]=4 12831 B13R0.88 CCNC(=O)CCSCCCC(C)C 62a_100011214892_100000737597 [0,2,0,0,0,0|2,0,0]=4 12832 B13R0.88 CCNC(=O)CCSCCCC(C)O 62a_100000737597_200000718107 [0,2,0,0,0,0|2,0,0]=4 12833 B13R0.88 CCNC(=O)CCSCCCC(C)O 62a_200000718107_100000737597 [0,2,0,0,0,0|2,0,0]=4 12834 B13R0.88 CCNC(=O)CNCCCCC(C)C 2230a_100016988866_100011216152 [0,2,0,0,0,0|2,0,0]=4 12835 B13R0.88 CCNC(=O)COCCCCC(C)C 34a_100011214890_100000183381 [0,2,0,0,0,0|2,0,0]=4 12836 B13R0.88 CCNC(=O)COCCCCC(C)C 7a_100011214890_100000183381 [0,2,0,0,0,0|2,0,0]=4 12837 B13R0.88 CCNC(=O)CSCCCCC(C)C 62a_100000183381_100011216152 [0,2,0,0,0,0|2,0,0]=4 12838 B13R0.88 CCNC(=O)CSCCCCC(C)C 62a_100011216152_100000183381 [0,2,0,0,0,0|2,0,0]=4 12839 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100011290863_100015525214 [0,2,0,0,0,0|2,0,0]=4 12840 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100015525214_100011290863 [0,2,0,0,0,0|2,0,0]=4 12841 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100011290863_100015525214 [0,2,0,0,0,0|2,0,0]=4 12842 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100015525214_100011290863 [0,2,0,0,0,0|2,0,0]=4 12843 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100011290863_100015525214 [0,2,0,0,0,0|2,0,0]=4 12844 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100015525214_100011290863 [0,2,0,0,0,0|2,0,0]=4 12845 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [0,2,0,0,0,0|0,0,1]=3 12846 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [0,2,0,0,0,0|0,0,1]=3 12847 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [0,2,0,0,0,0|0,0,1]=3 12848 B13R0.88 CCOC(=O)CCCCCCN(C)C 2230a_100102631434_100009814379 [0,2,0,0,0,0|1,0,0]=3 12849 B13R0.88 CCOC(=O)CCCCCCN(C)C 269982a_100102631434_100009814379 [0,2,0,0,0,0|1,0,0]=3 12850 B13R0.88 CCOC(=O)CCCCCNC(=O)C 188690a_100000062434_100015343762 [0,2,0,0,0,0|1,0,1]=4 12851 B13R0.88 CCOC(=O)CCCCCNC(C)C 2230a_100138425928_100000755133 [0,2,0,0,0,0|1,0,0]=3 12852 B13R0.88 CCOC(=O)CCCCCNC(C)C 34a_100138425928_100000755133 [0,2,0,0,0,0|1,0,0]=3 12853 B13R0.88 CCOC(=O)CCCCCOC(C)C 34a_100000212225_100000755133 [0,2,0,0,0,0|1,0,0]=3 12854 B13R0.88 CCOC(=O)CCCCCOC(C)C 7a_100011214988_100000210206 [0,2,0,0,0,0|1,0,0]=3 12855 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000210206_100000755133 [0,2,0,0,0,0|1,0,0]=3 12856 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000755133_100000210206 [0,2,0,0,0,0|1,0,0]=3 12857 B13R0.88 CCOC(=O)CCCCNCC(C)C 2230a_100000210953_100000750268 [0,2,0,0,0,0|1,0,0]=3 12858 B13R0.88 CCOC(=O)CCCCNCC(C)C 34a_100000210953_100000750268 [0,2,0,0,0,0|1,0,0]=3 12859 B13R0.88 CCOC(=O)CCCCNCC(C)O 2230a_100000210904_100000750268 [0,2,0,0,0,0|1,0,0]=3 12860 B13R0.88 CCOC(=O)CCCCNCC(C)O 34a_100000210904_100000750268 [0,2,0,0,0,0|1,0,0]=3 12861 B13R0.88 CCOC(=O)CCCCNCC(F)F 34a_100000765723_100000750268 [0,2,0,0,0,0|2,0,0]=4 12862 B13R0.88 CCOC(=O)CCCCOCC(=O)C 34a_100000211253_100000750268 [0,2,0,0,0,0|1,0,1]=4 12863 B13R0.88 CCOC(=O)CCCCOCC(C)Br 34a_100012180447_100000750268 [0,2,0,0,0,0|1,0,0]=3 12864 B13R0.88 CCOC(=O)CCCCOCC(C)C 34a_100000210257_100000750268 [0,2,0,0,0,0|1,0,0]=3 12865 B13R0.88 CCOC(=O)CCCCOCC(C)F 34a_100015925927_100000750268 [0,2,0,0,0,0|1,0,0]=3 12866 B13R0.88 CCOC(=O)CCCCOCC(F)F 34a_100000743014_100000750268 [0,2,0,0,0,0|2,0,0]=4 12867 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000750268 [0,2,0,0,0,0|1,0,0]=3 12868 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000750268 [0,2,0,0,0,0|1,0,0]=3 12869 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000210624_100000750268 [0,2,0,0,0,0|1,0,0]=3 12870 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000750268_100000210760 [0,2,0,0,0,0|1,0,0]=3 12871 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100000750268_100011218427 [0,2,0,0,0,0|1,0,0]=3 12872 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100011218427_100000750268 [0,2,0,0,0,0|1,0,0]=3 12873 B13R0.88 CCOC(=O)CCCCSCC(F)F 62a_100000750268_100011934356 [0,2,0,0,0,0|2,0,0]=4 12874 B13R0.88 CCOC(=O)CCCCSCC(F)F 62a_100011934356_100000750268 [0,2,0,0,0,0|2,0,0]=4 12875 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100000750268_100009817552 [0,2,0,0,0,0|1,0,0]=3 12876 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000750268 [0,2,0,0,0,0|1,0,0]=3 12877 B13R0.88 CCOC(=O)CCCNCCC(C)O 2230a_200000755665_100009991533 [0,2,0,0,0,0|1,0,0]=3 12878 B13R0.88 CCOC(=O)CCCOCCC(=O)C 34a_100000759926_100009991533 [0,2,0,0,0,0|1,0,1]=4 12879 B13R0.88 CCOC(=O)CCCOCCC(=O)C 7a_100000759926_100011215271 [0,2,0,0,0,0|1,0,1]=4 12880 B13R0.88 CCOC(=O)CCCOCCC(=O)C 7a_100012001163_100000053229 [0,2,0,0,0,0|1,0,1]=4 12881 B13R0.88 CCOC(=O)CCCOCCC(C)Br 34a_100009893172_100009991533 [0,2,0,0,0,0|1,0,0]=3 12882 B13R0.88 CCOC(=O)CCCOCCC(C)C 34a_100000210254_100009991533 [0,2,0,0,0,0|1,0,0]=3 12883 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100000210254_100011215271 [0,2,0,0,0,0|1,0,0]=3 12884 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100012001163_100000210626 [0,2,0,0,0,0|1,0,0]=3 12885 B13R0.88 CCOC(=O)CCCOCCC(C)O 7a_100012001163_100012276601 [0,2,0,0,0,0|1,0,0]=3 12886 B13R0.88 CCOC(=O)CCCOCCC(F)F 34a_100103093639_100009991533 [0,2,0,0,0,0|2,0,0]=4 12887 B13R0.88 CCOC(=O)CCCOCCN(C)C 7a_100012001163_100000755713 [0,2,0,0,0,0|2,0,0]=4 12888 B13R0.88 CCOC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100009991533 [0,2,0,0,0,0|1,0,0]=3 12889 B13R0.88 CCOC(=O)CCCSCCC(=O)C 62a_100000053229_100009991533 [0,2,0,0,0,0|1,0,1]=4 12890 B13R0.88 CCOC(=O)CCCSCCC(=O)C 62a_100009991533_100000053229 [0,2,0,0,0,0|1,0,1]=4 12891 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100000210312_100009991533 [0,2,0,0,0,0|1,0,0]=3 12892 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100009991533_100000210312 [0,2,0,0,0,0|1,0,0]=3 12893 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100009991533_100012276601 [0,2,0,0,0,0|1,0,0]=3 12894 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100012276601_100009991533 [0,2,0,0,0,0|1,0,0]=3 12895 B13R0.88 CCOC(=O)CCCSCCN(C)C 62a_100009991533_100000755713 [0,2,0,0,0,0|2,0,0]=4 12896 B13R0.88 CCOC(=O)CCCSCOC(C)C 62a_100000709892_100009991533 [0,2,0,0,0,0|2,0,0]=4 12897 B13R0.88 CCOC(=O)CCCSCOC(C)C 62a_100009991533_100000709892 [0,2,0,0,0,0|2,0,0]=4 12898 B13R0.88 CCOC(=O)CCNCCCC(C)C 2230a_200000737386_100011206558 [0,2,0,0,0,0|1,0,0]=3 12899 B13R0.88 CCOC(=O)CCNCCCC(C)C 34a_200000737386_100000765890 [0,2,0,0,0,0|1,0,0]=3 12900 B13R0.88 CCOC(=O)CCNCCCS(=O)C 2230a_200000753449_100011206558 [0,2,0,0,0,0|2,0,0]=4 12901 B13R0.88 CCOC(=O)CCNCCOC(C)C 2230a_100000701111_100011206558 [0,2,0,0,0,0|2,0,0]=4 12902 B13R0.88 CCOC(=O)CCNCCOC(C)C 34a_100000701111_100000765890 [0,2,0,0,0,0|2,0,0]=4 12903 B13R0.88 CCOC(=O)CCNCCSC(C)C 2230a_100000731138_100011206558 [0,2,0,0,0,0|2,0,0]=4 12904 B13R0.88 CCOC(=O)CCNCCSC(C)C 34a_100000731138_100000765890 [0,2,0,0,0,0|2,0,0]=4 12905 B13R0.88 CCOC(=O)CCOCCCC(=O)C 34a_100000759063_100000765890 [0,2,0,0,0,0|1,0,1]=4 12906 B13R0.88 CCOC(=O)CCOCCCC(=O)C 7a_100000759063_100011206558 [0,2,0,0,0,0|1,0,1]=4 12907 B13R0.88 CCOC(=O)CCOCCCC(C)C 34a_100000210774_100000765890 [0,2,0,0,0,0|1,0,0]=3 12908 B13R0.88 CCOC(=O)CCOCCCC(C)C 7a_100000210774_100011206558 [0,2,0,0,0,0|1,0,0]=3 12909 B13R0.88 CCOC(=O)CCOCCNC(C)C 34a_100000224655_100000765890 [0,2,0,0,0,0|2,0,0]=4 12910 B13R0.88 CCOC(=O)CCOCCOC(C)C 34a_100000211219_100000765890 [0,2,0,0,0,0|2,0,0]=4 12911 B13R0.88 CCOC(=O)CCOCCOC(C)C 7a_100000211219_100011206558 [0,2,0,0,0,0|2,0,0]=4 12912 B13R0.88 CCOC(=O)CCOCCSC(C)C 34a_200011212901_100000765890 [0,2,0,0,0,0|2,0,0]=4 12913 B13R0.88 CCOC(=O)CCOCCSC(C)C 7a_200011212901_100011206558 [0,2,0,0,0,0|2,0,0]=4 12914 B13R0.88 CCOC(=O)CCSCCCC(=O)C 62a_100000765890_100011215641 [0,2,0,0,0,0|1,0,1]=4 12915 B13R0.88 CCOC(=O)CCSCCCC(=O)C 62a_100011215641_100000765890 [0,2,0,0,0,0|1,0,1]=4 12916 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100000765890_100011214892 [0,2,0,0,0,0|1,0,0]=3 12917 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100011214892_100000765890 [0,2,0,0,0,0|1,0,0]=3 12918 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_100000765890_200000718107 [0,2,0,0,0,0|1,0,0]=3 12919 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_200000718107_100000765890 [0,2,0,0,0,0|1,0,0]=3 12920 B13R0.88 CCOC(=O)CCSCCCN(C)C 62a_100000765890_100000757444 [0,2,0,0,0,0|2,0,0]=4 12921 B13R0.88 CCOC(=O)CCSCCOC(C)C 62a_100000211751_100000765890 [0,2,0,0,0,0|2,0,0]=4 12922 B13R0.88 CCOC(=O)CCSCCOC(C)C 62a_100000765890_100000211751 [0,2,0,0,0,0|2,0,0]=4 12923 B13R0.88 CCOC(=O)CCSCCSC(C)C 62a_100000730970_100000765890 [0,2,0,0,0,0|2,0,0]=4 12924 B13R0.88 CCOC(=O)CCSCCSC(C)C 62a_100000765890_100000730970 [0,2,0,0,0,0|2,0,0]=4 12925 B13R0.88 CCOC(=O)CNCCCOC(C)C 2230a_100000737246_100000188475 [0,2,0,0,0,0|2,0,0]=4 12926 B13R0.88 CCOC(=O)CNCCCOC(C)C 34a_100000737246_100000188475 [0,2,0,0,0,0|2,0,0]=4 12927 B13R0.88 CCOC(=O)COCCCCC(C)C 34a_100011214890_100000188475 [0,2,0,0,0,0|1,0,0]=3 12928 B13R0.88 CCOC(=O)COCCCCC(C)C 7a_100011214890_100000188475 [0,2,0,0,0,0|1,0,0]=3 12929 B13R0.88 CCOC(=O)COCCCNC(C)C 2230a_100138425928_100009893628 [0,2,0,0,0,0|2,0,0]=4 12930 B13R0.88 CCOC(=O)COCCCNC(C)C 34a_100000182298_100000188475 [0,2,0,0,0,0|2,0,0]=4 12931 B13R0.88 CCOC(=O)COCCCNC(C)C 34a_100138425928_100009893628 [0,2,0,0,0,0|2,0,0]=4 12932 B13R0.88 CCOC(=O)COCCCOC(C)C 34a_100000212225_100009893628 [0,2,0,0,0,0|2,0,0]=4 12933 B13R0.88 CCOC(=O)COCCCSC(C)C 62a_100000210206_100009893628 [0,2,0,0,0,0|2,0,0]=4 12934 B13R0.88 CCOC(=O)COCCCSC(C)C 62a_100009893628_100000210206 [0,2,0,0,0,0|2,0,0]=4 12935 B13R0.88 CCOC(=O)COCCNCC(C)C 2230a_100000210953_100000088970 [0,2,0,0,0,0|2,0,0]=4 12936 B13R0.88 CCOC(=O)COCCNCC(C)C 34a_100000210953_100000088970 [0,2,0,0,0,0|2,0,0]=4 12937 B13R0.88 CCOC(=O)COCCNCC(C)C 34a_100015185251_100000188475 [0,2,0,0,0,0|2,0,0]=4 12938 B13R0.88 CCOC(=O)COCCNCC(C)O 2230a_100000210904_100000088970 [0,2,0,0,0,0|2,0,0]=4 12939 B13R0.88 CCOC(=O)COCCNCC(C)O 34a_100000210904_100000088970 [0,2,0,0,0,0|2,0,0]=4 12940 B13R0.88 CCOC(=O)COCCOCC(C)Br 34a_100012180447_100000088970 [0,2,0,0,0,0|2,0,0]=4 12941 B13R0.88 CCOC(=O)COCCOCC(C)C 34a_100000210257_100000088970 [0,2,0,0,0,0|2,0,0]=4 12942 B13R0.88 CCOC(=O)COCCOCC(C)C 34a_100000703358_100000188475 [0,2,0,0,0,0|2,0,0]=4 12943 B13R0.88 CCOC(=O)COCCOCC(C)C 7a_100000703358_100000188475 [0,2,0,0,0,0|2,0,0]=4 12944 B13R0.88 CCOC(=O)COCCOCC(C)F 34a_100015925927_100000088970 [0,2,0,0,0,0|2,0,0]=4 12945 B13R0.88 CCOC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000088970 [0,2,0,0,0,0|2,0,0]=4 12946 B13R0.88 CCOC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000088970 [0,2,0,0,0,0|2,0,0]=4 12947 B13R0.88 CCOC(=O)COCCSCC(C)C 34a_200000230437_100000188475 [0,2,0,0,0,0|2,0,0]=4 12948 B13R0.88 CCOC(=O)COCCSCC(C)C 62a_100000088970_100000210760 [0,2,0,0,0,0|2,0,0]=4 12949 B13R0.88 CCOC(=O)COCCSCC(C)C 62a_100000210624_100000088970 [0,2,0,0,0,0|2,0,0]=4 12950 B13R0.88 CCOC(=O)COCCSCC(C)C 7a_200000230437_100000188475 [0,2,0,0,0,0|2,0,0]=4 12951 B13R0.88 CCOC(=O)COCCSCC(C)O 62a_100000088970_100011218427 [0,2,0,0,0,0|2,0,0]=4 12952 B13R0.88 CCOC(=O)COCCSCC(C)O 62a_100011218427_100000088970 [0,2,0,0,0,0|2,0,0]=4 12953 B13R0.88 CCOC(=O)COCCSC[C@@H](C)O 62a_100000088970_100009817552 [0,2,0,0,0,0|2,0,0]=4 12954 B13R0.88 CCOC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000088970 [0,2,0,0,0,0|2,0,0]=4 12955 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000188475_100000735457 [0,2,0,0,0,0|1,0,1]=4 12956 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000735457_100000188475 [0,2,0,0,0,0|1,0,1]=4 12957 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100000188475_100011216152 [0,2,0,0,0,0|1,0,0]=3 12958 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100011216152_100000188475 [0,2,0,0,0,0|1,0,0]=3 12959 B13R0.88 CCOC(=O)CSCCCCN(C)C 62a_100000188475_100000690147 [0,2,0,0,0,0|2,0,0]=4 12960 B13R0.88 CCOC(=O)CSCCOCC(C)C 7a_200000230590_100000210760 [0,2,0,0,0,0|2,0,0]=4 12961 B13R0.88 CCOC(=O)CSCCOCC(C)O 7a_200000230590_100011218427 [0,2,0,0,0,0|2,0,0]=4 12962 B13R0.88 CCOC(=O)CSCCOC[C@@H](C)O 7a_200000230590_100009817552 [0,2,0,0,0,0|2,0,0]=4 12963 B13R0.88 CCOC(=O)NCCOCCC(C)C 34a_100000158857_100000210312 [0,2,0,0,0,0|2,0,0]=4 12964 B13R0.88 CCOC(=O)NCCOCCC(C)C 7a_100000210254_200011445536 [0,2,0,0,0,0|2,0,0]=4 12965 B13R0.88 CCOC(=O)NCCOCCC(C)O 34a_100000158857_100012276601 [0,2,0,0,0,0|2,0,0]=4 12966 B13R0.88 CCOC(=O)NCCSCCC(C)C 62a_100000210312_200011445536 [0,2,0,0,0,0|2,0,0]=4 12967 B13R0.88 CCOC(=O)NCCSCCC(C)O 62a_100012276601_200011445536 [0,2,0,0,0,0|2,0,0]=4 12968 B13R0.88 CCOC(=O)OCSCCCC(C)C 62a_100011214892_100000075025 [0,2,0,0,0,0|2,0,0]=4 12969 B13R0.88 CCOC(=O)OCSCCCC(C)O 62a_200000718107_100000075025 [0,2,0,0,0,0|2,0,0]=4 12970 B13R0.88 CNNC(=O)CCCCCCC(C)C 22a_100016993582_100000040743 [0,2,0,0,0,0|1,0,0]=3 12971 B13R0.88 CNNC(=O)NCCCCCC(C)C 273464a_100011290863_100016993582 [0,2,0,0,0,0|2,0,0]=4 12972 B13R0.88 CNNC(=O)NCCCCCC(C)C 512a_100011290863_100016993582 [0,2,0,0,0,0|2,0,0]=4 12973 B13R0.88 CNNC(=O)NCCCCCC(C)C 512a_100016993582_100011290863 [0,2,0,0,0,0|2,0,0]=4 12974 B13R0.88 COCC(=O)CCCCCCB(O)O 1458a_100000210968_100009817187 [0,2,0,0,0,0|2,0,0]=4 12975 B13R0.88 COCC(=O)CCCCCOC(=O)C 1458a_100000210968_100000033007 [0,2,0,0,0,0|1,0,1]=4 12976 B13R0.88 COCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210968 [0,2,0,0,0,0|1,0,0]=3 12977 B13R0.88 COCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210968 [0,2,0,0,0,0|1,0,0]=3 12978 B13R0.88 COCC(=O)NCCCCCC(C)C 527a_100011290863_100000210968 [0,2,0,0,0,0|1,0,0]=3 12979 B13R0.88 COCC(=O)NCCCCCN(C)C 240690a_100020635752_100000210968 [0,2,0,0,0,0|2,0,0]=4 12980 B13R0.88 COCC(=O)NCCCOCC(C)C 11a_100000205972_100000210968 [0,2,0,0,0,0|2,0,0]=4 12981 B13R0.88 COCC(=O)NCCCOCC(C)C 1626a_100000205972_100000210968 [0,2,0,0,0,0|2,0,0]=4 12982 B13R0.88 COCC(=O)NCCCOCC(C)C 240690a_100000205972_100000210968 [0,2,0,0,0,0|2,0,0]=4 12983 B13R0.88 COCC(=O)NCCCOCC(C)C 527a_100000205972_100000210968 [0,2,0,0,0,0|2,0,0]=4 12984 B13R0.88 CSCC(=O)NCCCCCC(C)C 1626a_100011290863_100000184570 [0,2,0,0,0,0|1,1,0]=4 12985 B13R0.88 CSCC(=O)NCCCCCC(C)C 240690a_100011290863_100000184570 [0,2,0,0,0,0|1,1,0]=4 12986 B13R0.88 CSCC(=O)NCCCCCC(C)C 527a_100011290863_100000184570 [0,2,0,0,0,0|1,1,0]=4 12987 B13R0.175 C=COC(=O)COCC(C)CCCC 34a_100011995851_100000036128 [0,2,0,0,0,0|1,0,1]=4 12988 B13R0.175 C=COC(=O)COC[C@@H](N)CCCC 34a_100011934283_100000036128 [0,2,0,0,0,0|1,0,1]=4 12989 B13R0.175 CCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210211 [0,2,0,0,0,0|1,0,1]=4 12990 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210183_100011215271 [0,2,0,0,0,0|0,0,1]=3 12991 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210211 [0,2,0,0,0,0|0,0,1]=3 12992 B13R0.175 CCCCC(=O)CCNC(=O)OCC 1458a_100000210183_200011445536 [0,2,0,0,0,0|1,0,1]=4 12993 B13R0.175 CCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000210183 [0,2,0,0,0,0|1,0,1]=4 12994 B13R0.175 CCCCC(C)COCC(=O)CCC 7a_100011995851_100000747444 [0,2,0,0,0,0|2,0,0]=4 12995 B13R0.175 CCCCC(C)COCC(=O)NCC 34a_100011995851_100000183381 [0,2,0,0,0,0|2,0,0]=4 12996 B13R0.175 CCCCC(C)COCC(=O)NCC 7a_100011995851_100000183381 [0,2,0,0,0,0|2,0,0]=4 12997 B13R0.175 CCCCC(C)COCC(=O)NCO 34a_100011995851_100000185155 [0,2,0,0,0,0|2,0,0]=4 12998 B13R0.175 CCCCC(C)COCC(=O)NCO 7a_100011995851_100000185155 [0,2,0,0,0,0|2,0,0]=4 12999 B13R0.175 CCCCC(C)COCC(=O)OCC 34a_100011995851_100000188475 [0,2,0,0,0,0|1,0,0]=3 13000 B13R0.175 CCCCC(C)COCC(=O)OCC 7a_100011995851_100000188475 [0,2,0,0,0,0|1,0,0]=3 13001 B13R0.175 CCCCC(C)NCCC(=O)NCC 2230a_100000126638_100000737597 [0,2,0,0,0,0|2,0,0]=4 13002 B13R0.175 CCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000210087 [0,2,0,0,0,0|2,0,0]=4 13003 B13R0.175 CCCCC(C)NCCC(=O)NCC 34a_100025743525_200011215066 [0,2,0,0,0,0|2,0,0]=4 13004 B13R0.175 CCCCC(C)NCCC(=O)OCC 2230a_100000126638_100011206558 [0,2,0,0,0,0|1,0,0]=3 13005 B13R0.175 CCCCC(C)OCCC(=O)NCC 7a_100000687866_100000737597 [0,2,0,0,0,0|2,0,0]=4 13006 B13R0.175 CCCCC(C)OCCC(=O)OCC 34a_100000687866_100000765890 [0,2,0,0,0,0|1,0,0]=3 13007 B13R0.175 CCCCC(C)OCCC(=O)OCC 7a_100000687866_100011206558 [0,2,0,0,0,0|1,0,0]=3 13008 B13R0.175 CCCCC(C)SCCC(=O)NCC 62a_100000737597_200011215066 [0,2,0,0,0,0|2,0,0]=4 13009 B13R0.175 CCCCC(C)SCCC(=O)NCC 62a_200011215066_100000737597 [0,2,0,0,0,0|2,0,0]=4 13010 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_100000765890_200011215066 [0,2,0,0,0,0|1,0,0]=3 13011 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_200011215066_100000765890 [0,2,0,0,0,0|1,0,0]=3 13012 B13R0.175 CCCCC(C)SCOC(=O)OCC 62a_200011215066_100000075025 [0,2,0,0,0,0|2,0,0]=4 13013 B13R0.175 CCCCN(C)CCCC(=O)OCC 2230a_100000207549_100009991533 [0,2,0,0,0,0|1,0,0]=3 13014 B13R0.175 CCCCN(C)CCCC(=O)OCC 269982a_100000207549_100009991533 [0,2,0,0,0,0|1,0,0]=3 13015 B13R0.175 CCCCN(C)CCNC(=O)COC 1626a_200000754967_100000210968 [0,2,0,0,0,0|2,0,0]=4 13016 B13R0.175 CCCCN(C)CCNC(=O)COC 240690a_200000754967_100000210968 [0,2,0,0,0,0|2,0,0]=4 13017 B13R0.175 CCCCN(C)CCNC(=O)COC 527a_200000754967_100000210968 [0,2,0,0,0,0|2,0,0]=4 13018 B13R0.175 CCCCN(C)CCNC(=O)OCC 269982a_100000207549_200011445536 [0,2,0,0,0,0|2,0,0]=4 13019 B13R0.175 CCCC[C@H](N)COCC(=O)NCC 34a_100011934283_100000183381 [0,2,0,0,0,0|2,0,0]=4 13020 B13R0.175 CCCC[C@H](N)COCC(=O)NCO 34a_100011934283_100000185155 [0,2,0,0,0,0|2,0,0]=4 13021 B13R0.175 CCCC[C@H](N)COCC(=O)OCC 34a_100011934283_100000188475 [0,2,0,0,0,0|1,0,0]=3 13022 B13R0.175 CCCNC(=O)CCCC(=O)COC 1458a_100000210968_100011194427 [0,2,0,0,0,0|1,0,1]=4 13023 B13R0.175 CCCNC(=O)CCCC(=O)OCC 11a_100020643023_100000210991 [0,2,0,0,0,0|1,0,1]=4 13024 B13R0.175 CCCNC(=O)CCCC(=O)OCC 1626a_100020643023_100000210991 [0,2,0,0,0,0|1,0,1]=4 13025 B13R0.175 CCCNC(=O)CCCC(=O)OCC 240690a_100020643023_100000210991 [0,2,0,0,0,0|1,0,1]=4 13026 B13R0.175 CCCNC(=O)CCCC(=O)OCC 527a_100020643023_100000210991 [0,2,0,0,0,0|1,0,1]=4 13027 B13R0.175 CCCOC(C)CNCC(=O)OCC 2230a_100015185124_100000188475 [0,2,0,0,0,0|2,0,0]=4 13028 B13R0.175 CCCOC(C)CNCC(=O)OCC 34a_100015185124_100000188475 [0,2,0,0,0,0|2,0,0]=4 13029 B13R0.175 CCOC(=O)CCCC(=O)CCCF 1458a_100000210991_100011934791 [0,2,0,0,0,0|1,0,1]=4 13030 B13R0.175 CCOC(=O)CCCC(=O)CCCO 1458a_100000210991_100011215043 [0,2,0,0,0,0|1,0,1]=4 13031 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000210991_100000233755 [0,2,0,0,0,0|1,0,1]=4 13032 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000749529_100011215271 [0,2,0,0,0,0|1,0,1]=4 13033 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000174002_100011215271 [0,2,0,0,0,0|1,0,1]=4 13034 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000210991_100000751147 [0,2,0,0,0,0|1,0,1]=4 13035 B13R0.175 CCOC(=O)CCCC(=O)CSCC 1458a_100000230394_100011215271 [0,2,0,0,0,0|1,0,1]=4 13036 B13R0.175 CCOC(=O)CCCN(C)CCCO 2230a_100000213112_100009991533 [0,2,0,0,0,0|2,0,0]=4 13037 B13R0.175 CCOC(=O)CCCN(C)CCCO 269982a_100000213112_100009991533 [0,2,0,0,0,0|2,0,0]=4 13038 B13R0.175 CCOC(=O)CCCN(C)CCOC 2230a_100000743101_100009991533 [0,2,0,0,0,0|2,0,0]=4 13039 B13R0.175 CCOC(=O)CCCN(C)CCOC 269982a_100000743101_100009991533 [0,2,0,0,0,0|2,0,0]=4 13040 B13R0.175 CCOC(=O)CCCN(C)CCSC 2230a_100000686725_100009991533 [0,2,0,0,0,0|2,0,0]=4 13041 B13R0.175 CCOC(=O)CCCN(C)CCSC 269982a_100000686725_100009991533 [0,2,0,0,0,0|2,0,0]=4 13042 B13R0.175 CCOC(=O)CCOC(C)CCCCl 34a_200000718107_100000765890 [0,2,0,0,0,0|2,0,0]=4 13043 B13R0.175 CCOC(=O)CCOC(C)CCCCl 7a_200000718107_100011206558 [0,2,0,0,0,0|2,0,0]=4 13044 B13R0.175 CCOC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000188475 [0,2,0,0,0,0|2,0,0]=4 13045 B13R0.175 CCOC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000188475 [0,2,0,0,0,0|2,0,0]=4 13046 B13R0.175 CCOC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000188475 [0,2,0,0,0,0|2,0,0]=4 13047 B13R0.175 CCOCC(=O)CCCC(=O)OCC 1458a_100000211967_100011215271 [0,2,0,0,0,0|1,0,1]=4 13048 B13R0.175 CCOCC(C)OCCC(=O)OCC 34a_100000718985_100000765890 [0,2,0,0,0,0|2,0,0]=4 13049 B13R0.175 CCOCC(C)OCCC(=O)OCC 7a_100000718985_100011206558 [0,2,0,0,0,0|2,0,0]=4 13050 B13R0.175 CCOCC(O)CNCC(=O)OCC 2230a_102515437182_100000188475 [0,2,0,0,0,0|2,0,0]=4 13051 B13R0.175 CCOCC(O)CNCC(=O)OCC 34a_102515437182_100000188475 [0,2,0,0,0,0|2,0,0]=4 13052 B13R0.193 C#CCC(=O)CCC(C)CCCCC 1458a_100000034243_100000184674 [0,2,0,0,0,0|1,0,1]=4 13053 B13R0.193 C=CCC(=O)CCC(C)CCCCC 1458a_100000034243_100000210623 [0,2,0,0,0,0|1,0,1]=4 13054 B13R0.193 C=COC(=O)CNC(C)CCCCC 2230a_100000211957_100000036128 [0,2,0,0,0,0|1,0,1]=4 13055 B13R0.193 C=COC(=O)COC(C)CCCCC 34a_100011215632_100000036128 [0,2,0,0,0,0|1,0,1]=4 13056 B13R0.193 C=COC(=O)CSC(C)CCCCC 62a_100000036128_200011218191 [0,2,0,0,0,0|1,0,1]=4 13057 B13R0.193 C=COC(=O)CSC(C)CCCCC 62a_200011218191_100000036128 [0,2,0,0,0,0|1,0,1]=4 13058 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [0,2,0,0,0,0|1,0,1]=4 13059 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [0,2,0,0,0,0|0,0,1]=3 13060 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [0,2,0,0,0,0|1,0,1]=4 13061 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [0,2,0,0,0,0|1,0,1]=4 13062 B13R0.193 CCCCCC(C)CCC(=O)CC#N 1458a_100000034243_100011214920 [0,2,0,0,0,0|1,0,1]=4 13063 B13R0.193 CCCCCC(C)CCC(=O)CCC 1458a_100000034243_100000210303 [0,2,0,0,0,0|1,0,0]=3 13064 B13R0.193 CCCCCC(C)CCC(=O)CCF 1458a_100000034243_100011217306 [0,2,0,0,0,0|1,0,0]=3 13065 B13R0.193 CCCCCC(C)CCC(=O)CCO 1458a_100000034243_100000211926 [0,2,0,0,0,0|1,0,0]=3 13066 B13R0.193 CCCCCC(C)CCC(=O)NCC 11a_100015525214_100000034243 [0,2,0,0,0,0|1,0,0]=3 13067 B13R0.193 CCCCCC(C)CCC(=O)NCC 240690a_100015525214_100000034243 [0,2,0,0,0,0|1,0,0]=3 13068 B13R0.193 CCCCCC(C)CCC(=O)NCC 527a_100015525214_100000034243 [0,2,0,0,0,0|1,0,0]=3 13069 B13R0.193 CCCCCC(C)CCC(=O)NNC 22a_100016993582_100000034243 [0,2,0,0,0,0|1,0,0]=3 13070 B13R0.193 CCCCCC(C)NCC(=O)CCC 2230a_100000211957_100000747444 [0,2,0,0,0,0|2,0,0]=4 13071 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100000211957_100000183381 [0,2,0,0,0,0|2,0,0]=4 13072 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100016988866_200011218191 [0,2,0,0,0,0|2,0,0]=4 13073 B13R0.193 CCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000211708 [0,2,0,0,0,0|2,0,0]=4 13074 B13R0.193 CCCCCC(C)NCC(=O)NCO 2230a_100000211957_100000185155 [0,2,0,0,0,0|2,0,0]=4 13075 B13R0.193 CCCCCC(C)NCC(=O)OCC 2230a_100000211957_100000188475 [0,2,0,0,0,0|1,0,0]=3 13076 B13R0.193 CCCCCC(C)OCC(=O)CCC 7a_100011215632_100000747444 [0,2,0,0,0,0|2,0,0]=4 13077 B13R0.193 CCCCCC(C)OCC(=O)NCC 34a_100011215632_100000183381 [0,2,0,0,0,0|2,0,0]=4 13078 B13R0.193 CCCCCC(C)OCC(=O)NCC 7a_100011215632_100000183381 [0,2,0,0,0,0|2,0,0]=4 13079 B13R0.193 CCCCCC(C)OCC(=O)NCO 34a_100011215632_100000185155 [0,2,0,0,0,0|2,0,0]=4 13080 B13R0.193 CCCCCC(C)OCC(=O)NCO 7a_100011215632_100000185155 [0,2,0,0,0,0|2,0,0]=4 13081 B13R0.193 CCCCCC(C)OCC(=O)OCC 34a_100011215632_100000188475 [0,2,0,0,0,0|1,0,0]=3 13082 B13R0.193 CCCCCC(C)OCC(=O)OCC 7a_100011215632_100000188475 [0,2,0,0,0,0|1,0,0]=3 13083 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_100000747444_200011218191 [0,2,0,0,0,0|2,0,0]=4 13084 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_200011218191_100000747444 [0,2,0,0,0,0|2,0,0]=4 13085 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_100000183381_200011218191 [0,2,0,0,0,0|2,0,0]=4 13086 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_200011218191_100000183381 [0,2,0,0,0,0|2,0,0]=4 13087 B13R0.193 CCCCCC(C)SCC(=O)NCO 62a_100000185155_200011218191 [0,2,0,0,0,0|2,0,0]=4 13088 B13R0.193 CCCCCC(C)SCC(=O)NCO 62a_200011218191_100000185155 [0,2,0,0,0,0|2,0,0]=4 13089 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218191 [0,2,0,0,0,0|1,0,0]=3 13090 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_200011218191_100000188475 [0,2,0,0,0,0|1,0,0]=3 13091 B13R0.193 CCCCCN(C)CCC(=O)CCC 1458a_100016987678_100000210303 [0,2,0,0,0,0|2,0,0]=4 13092 B13R0.193 CCCCCN(C)CCC(=O)CCF 1458a_100016987678_100011217306 [0,2,0,0,0,0|2,0,0]=4 13093 B13R0.193 CCCCCN(C)CCC(=O)CCO 1458a_100016987678_100000211926 [0,2,0,0,0,0|2,0,0]=4 13094 B13R0.193 CCCCCN(C)CCC(=O)NCC 2230a_100000223495_100000737597 [0,2,0,0,0,0|2,0,0]=4 13095 B13R0.193 CCCCCN(C)CCC(=O)NCC 240690a_100015525214_100016987678 [0,2,0,0,0,0|2,0,0]=4 13096 B13R0.193 CCCCCN(C)CCC(=O)NCC 269982a_100000223495_100000737597 [0,2,0,0,0,0|2,0,0]=4 13097 B13R0.193 CCCCCN(C)CCC(=O)NNC 22a_100016993582_100016987678 [0,2,0,0,0,0|2,0,0]=4 13098 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000223495_100011206558 [0,2,0,0,0,0|1,0,0]=3 13099 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210326 [0,2,0,0,0,0|1,0,0]=3 13100 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000223495_100011206558 [0,2,0,0,0,0|1,0,0]=3 13101 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210215 [0,2,0,0,0,0|1,0,0]=3 13102 B13R0.193 CCCCNC(=O)CCC(=O)OCC 11a_100000102301_100000183558 [0,2,0,0,0,0|1,0,1]=4 13103 B13R0.193 CCCCNC(=O)CCC(=O)OCC 1626a_100000102301_100000183558 [0,2,0,0,0,0|1,0,1]=4 13104 B13R0.193 CCCCNC(=O)CCC(=O)OCC 240690a_100000102301_100000183558 [0,2,0,0,0,0|1,0,1]=4 13105 B13R0.193 CCCCNC(C)CCC(=O)OCC 2230a_100000102301_100000748298 [0,2,0,0,0,0|1,0,0]=3 13106 B13R0.193 CCCCNC(C)CCC(=O)OCC 7a_106832991798_100000748298 [0,2,0,0,0,0|1,0,0]=3 13107 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [0,2,0,0,0,0|1,0,0]=3 13108 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [0,2,0,0,0,0|1,0,0]=3 13109 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000210211_100000748298 [0,2,0,0,0,0|1,0,0]=3 13110 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210210 [0,2,0,0,0,0|1,0,0]=3 13111 B13R0.193 CCOC(=O)CCC(=O)CCCCF 1458a_100000183558_100000729493 [0,2,0,0,0,0|1,0,1]=4 13112 B13R0.193 CCOC(=O)CCC(=O)CCCCO 1458a_100000183558_100000210776 [0,2,0,0,0,0|1,0,1]=4 13113 B13R0.193 CCOC(=O)CCC(=O)CCCOC 1458a_100000183558_100000740836 [0,2,0,0,0,0|1,0,1]=4 13114 B13R0.193 CCOC(=O)CCC(=O)CCSCC 1458a_100000183558_100000757381 [0,2,0,0,0,0|1,0,1]=4 13115 B13R0.193 CCOC(=O)CCC(C)NCCCF 2230a_100015189416_100000748298 [0,2,0,0,0,0|2,0,0]=4 13116 B13R0.193 CCOC(=O)CCC(C)NCCCF 34a_100015189416_100000748298 [0,2,0,0,0,0|2,0,0]=4 13117 B13R0.193 CCOC(=O)CCC(C)NCCOC 2230a_100000209980_100000748298 [0,2,0,0,0,0|2,0,0]=4 13118 B13R0.193 CCOC(=O)CCC(C)NCCSC 2230a_100020590264_100000748298 [0,2,0,0,0,0|2,0,0]=4 13119 B13R0.193 CCOC(=O)CCC(C)OCCCBr 34a_100011217188_100000748298 [0,2,0,0,0,0|2,0,0]=4 13120 B13R0.193 CCOC(=O)CCC(C)OCCCCl 34a_100000230001_100000748298 [0,2,0,0,0,0|2,0,0]=4 13121 B13R0.193 CCOC(=O)CCC(C)OCCCF 34a_100000759539_100000748298 [0,2,0,0,0,0|2,0,0]=4 13122 B13R0.193 CCOC(=O)CCC(C)OCCCN 34a_100000182051_100000748298 [0,2,0,0,0,0|2,0,0]=4 13123 B13R0.193 CCOC(=O)CCC(C)OCCOC 34a_100000210237_100000748298 [0,2,0,0,0,0|2,0,0]=4 13124 B13R0.193 CCOC(=O)CCC(C)OCCSC 34a_100000230434_100000748298 [0,2,0,0,0,0|2,0,0]=4 13125 B13R0.193 CCOC(=O)CCC(C)OCCSC 7a_100000230434_100000748298 [0,2,0,0,0,0|2,0,0]=4 13126 B13R0.193 CCOC(=O)CCC(C)SCCCF 62a_100000748298_100011934791 [0,2,0,0,0,0|2,0,0]=4 13127 B13R0.193 CCOC(=O)CCC(C)SCCCF 62a_100011934791_100000748298 [0,2,0,0,0,0|2,0,0]=4 13128 B13R0.193 CCOC(=O)CCC(C)SCCCO 62a_100000748298_100011215043 [0,2,0,0,0,0|2,0,0]=4 13129 B13R0.193 CCOC(=O)CCC(C)SCCCO 62a_100011215043_100000748298 [0,2,0,0,0,0|2,0,0]=4 13130 B13R0.193 CCOC(=O)CCC(C)SCCOC 62a_100000233755_100000748298 [0,2,0,0,0,0|2,0,0]=4 13131 B13R0.193 CCOC(=O)CCC(C)SCCOC 62a_100000748298_100000233755 [0,2,0,0,0,0|2,0,0]=4 13132 B13R0.193 CCOC(=O)CCC(C)SCCSC 62a_100000212216_100000748298 [0,2,0,0,0,0|2,0,0]=4 13133 B13R0.193 CCOC(=O)CCC(C)SCCSC 62a_100000748298_100000751147 [0,2,0,0,0,0|2,0,0]=4 13134 B13R0.193 CCOC(=O)CCN(C)CCCCF 2230a_100000745921_100000729493 [0,2,0,0,0,0|2,0,0]=4 13135 B13R0.193 CCOC(=O)CCN(C)CCCCF 269982a_100000745921_100000729493 [0,2,0,0,0,0|2,0,0]=4 13136 B13R0.193 CCOC(=O)CCN(C)CCCCO 2230a_100000717598_100011206558 [0,2,0,0,0,0|2,0,0]=4 13137 B13R0.193 CCOC(=O)CCN(C)CCCCO 2230a_100000745921_100000210776 [0,2,0,0,0,0|2,0,0]=4 13138 B13R0.193 CCOC(=O)CCN(C)CCCCO 269982a_100000717598_100011206558 [0,2,0,0,0,0|2,0,0]=4 13139 B13R0.193 CCOC(=O)CCN(C)CCCCO 269982a_100000745921_100000210776 [0,2,0,0,0,0|2,0,0]=4 13140 B13R0.193 CCOC(=O)CCN(C)CCCOC 2230a_100000224831_100011206558 [0,2,0,0,0,0|2,0,0]=4 13141 B13R0.193 CCOC(=O)CCN(C)CCCOC 2230a_100000745921_100000740836 [0,2,0,0,0,0|2,0,0]=4 13142 B13R0.193 CCOC(=O)CCN(C)CCCOC 269982a_100000224831_100011206558 [0,2,0,0,0,0|2,0,0]=4 13143 B13R0.193 CCOC(=O)CCN(C)CCCOC 269982a_100000745921_100000740836 [0,2,0,0,0,0|2,0,0]=4 13144 B13R0.193 CCOC(=O)CCN(C)CCSCC 2230a_100000745921_100000757381 [0,2,0,0,0,0|2,0,0]=4 13145 B13R0.193 CCOC(=O)CCN(C)CCSCC 269982a_100000745921_100000757381 [0,2,0,0,0,0|2,0,0]=4 13146 B13R0.193 CCOC(=O)COC(C)CCCOC 34a_200011539412_100000188475 [0,2,0,0,0,0|2,0,0]=4 13147 B13R0.193 CCOC(=O)COC(C)CCCOC 7a_200011539412_100000188475 [0,2,0,0,0,0|2,0,0]=4 13148 B13R0.193 CCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215890 [0,2,0,0,0,0|1,0,1]=4 13149 B13R0.193 CCOCCN(C)CCC(=O)OCC 2230a_100000745921_100011215890 [0,2,0,0,0,0|2,0,0]=4 13150 B13R0.193 CCOCCN(C)CCC(=O)OCC 269982a_100000745921_100011215890 [0,2,0,0,0,0|2,0,0]=4 13151 B13R0.193 CCOCSC(C)CCC(=O)OCC 62a_100000739092_100000748298 [0,2,0,0,0,0|2,0,0]=4 13152 B13R0.193 CCOCSC(C)CCC(=O)OCC 62a_100000748298_100000739092 [0,2,0,0,0,0|2,0,0]=4 13153 B13R0.275 C#CCC(=O)C(C)CCCCCCC 1458a_100011220946_200011218727 [0,2,0,0,0,0|1,0,1]=4 13154 B13R0.275 C=C(COCCCCC)C(=O)OCC 34a_100000210253_100000755967 [0,2,0,0,0,0|1,0,1]=4 13155 B13R0.275 C=C(COCCCCC)C(=O)OCC 7a_100000210253_100000755967 [0,2,0,0,0,0|1,0,1]=4 13156 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000210326_100000755967 [0,2,0,0,0,0|1,0,1]=4 13157 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000755967_100000210326 [0,2,0,0,0,0|1,0,1]=4 13158 B13R0.275 C=CCC(=O)C(C)CCCCCCC 1458a_100000210193_200011218727 [0,2,0,0,0,0|1,0,1]=4 13159 B13R0.275 CC#CC(=O)C(C)CCCCCCC 1458a_100000763181_200011218727 [0,2,0,0,0,0|1,0,0]=3 13160 B13R0.275 CC=CC(=O)C(C)CCCCCCC 1458a_100000210699_200011218727 [0,2,0,0,0,0|1,0,0]=3 13161 B13R0.275 CC=CC(=O)N(C)CCCCCCC 11a_100000228206_100000210699 [0,2,0,0,0,0|2,0,0]=4 13162 B13R0.275 CC=CC(=O)N(C)CCCCCCC 1626a_100000228206_100000210699 [0,2,0,0,0,0|2,0,0]=4 13163 B13R0.275 CC=CC(=O)N(C)CCCCCCC 240690a_100000228206_100000210699 [0,2,0,0,0,0|2,0,0]=4 13164 B13R0.275 CCCCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210614 [0,2,0,0,0,0|1,0,1]=4 13165 B13R0.275 CCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210614 [0,2,0,0,0,0|1,0,1]=4 13166 B13R0.275 CCCCCCCC(C)C(=O)C=CBr 1458a_100016273825_200011218727 [0,2,0,0,0,0|1,0,1]=4 13167 B13R0.275 CCCCCCCC(C)C(=O)C=CCl 1458a_200016279998_200011218727 [0,2,0,0,0,0|1,0,1]=4 13168 B13R0.275 CCCCCCCC(C)C(=O)C=CI 1458a_100016256311_200011218727 [0,2,0,0,0,0|1,0,1]=4 13169 B13R0.275 CCCCCCCC(C)C(=O)CC#N 1458a_100051588842_200011218727 [0,2,0,0,0,0|1,0,1]=4 13170 B13R0.275 CCCCCCCC(C)C(=O)CCC 1458a_100000211992_200011218727 [0,2,0,0,0,0|1,0,0]=3 13171 B13R0.275 CCCCCCCC(C)C(=O)CCO 1458a_100011216618_200011218727 [0,2,0,0,0,0|1,0,0]=3 13172 B13R0.275 CCCCCCCC(C)C(=O)COC 1458a_100000210968_200011218727 [0,2,0,0,0,0|0,0,0]=2 13173 B13R0.275 CCCCCCCC(C)C(=O)CSC 1458a_100000184570_200011218727 [0,2,0,0,0,0|0,1,0]=3 13174 B13R0.275 CCCCCCCN(C)C(=O)CCC 11a_100000228206_100000211992 [0,2,0,0,0,0|2,0,0]=4 13175 B13R0.275 CCCCCCCN(C)C(=O)CCC 1626a_100000228206_100000211992 [0,2,0,0,0,0|2,0,0]=4 13176 B13R0.275 CCCCCCCN(C)C(=O)CCC 240690a_100000228206_100000211992 [0,2,0,0,0,0|2,0,0]=4 13177 B13R0.275 CCCCCCCN(C)C(=O)CCC 527a_100000228206_100000211992 [0,2,0,0,0,0|2,0,0]=4 13178 B13R0.275 CCCCCCCN(C)C(=O)CCO 240690a_100000228206_100011216618 [0,2,0,0,0,0|2,0,0]=4 13179 B13R0.275 CCCCCCCN(C)C(=O)COC 11a_100000228206_100000210968 [0,2,0,0,0,0|1,0,0]=3 13180 B13R0.275 CCCCCCCN(C)C(=O)COC 1626a_100000228206_100000210968 [0,2,0,0,0,0|1,0,0]=3 13181 B13R0.275 CCCCCCCN(C)C(=O)COC 240690a_100000228206_100000210968 [0,2,0,0,0,0|1,0,0]=3 13182 B13R0.275 CCCCCCCN(C)C(=O)COC 527a_100000228206_100000210968 [0,2,0,0,0,0|1,0,0]=3 13183 B13R0.275 CCCCCCCN(C)C(=O)CSC 11a_100000228206_100000184570 [0,2,0,0,0,0|1,1,0]=4 13184 B13R0.275 CCCCCCCN(C)C(=O)CSC 1626a_100000228206_100000184570 [0,2,0,0,0,0|1,1,0]=4 13185 B13R0.275 CCCCCCCN(C)C(=O)CSC 240690a_100000228206_100000184570 [0,2,0,0,0,0|1,1,0]=4 13186 B13R0.275 CCCCCCCN(C)C(=O)CSC 527a_100000228206_100000184570 [0,2,0,0,0,0|1,1,0]=4 13187 B13R0.275 CCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000228206 [0,2,0,0,0,0|2,0,0]=4 13188 B13R0.275 CCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000228206 [0,2,0,0,0,0|2,0,0]=4 13189 B13R0.275 CCCCCCNC(=O)C(=O)OCC 11a_100000210581_100014798877 [0,2,0,0,0,0|1,0,1]=4 13190 B13R0.275 CCCCCCNC(=O)C(=O)OCC 1626a_100000210581_100014798877 [0,2,0,0,0,0|1,0,1]=4 13191 B13R0.275 CCCCCCNC(=O)C(=O)OCC 240690a_100000210581_100014798877 [0,2,0,0,0,0|1,0,1]=4 13192 B13R0.275 CCCCCCNC(C)C(=O)NCC 2230a_100000210581_100000230173 [0,2,0,0,0,0|2,0,0]=4 13193 B13R0.275 CCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210314 [0,2,0,0,0,0|2,0,0]=4 13194 B13R0.275 CCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210314 [0,2,0,0,0,0|2,0,0]=4 13195 B13R0.275 CCCCCCNC(C)C(=O)OCC 2230a_100000210581_100011215307 [0,2,0,0,0,0|1,0,0]=3 13196 B13R0.275 CCCCCCNC(F)C(=O)OCC 2230a_100000210581_100000760018 [0,2,0,0,0,0|1,0,0]=3 13197 B13R0.275 CCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210314 [0,2,0,0,0,0|1,1,0]=4 13198 B13R0.275 CCCCCCOC(C)C(=O)NCC 34a_100000210259_100000230173 [0,2,0,0,0,0|2,0,0]=4 13199 B13R0.275 CCCCCCOC(C)C(=O)NCC 7a_100000210259_100000230173 [0,2,0,0,0,0|2,0,0]=4 13200 B13R0.275 CCCCCCOC(C)C(=O)OCC 34a_100000210259_100011216346 [0,2,0,0,0,0|1,0,0]=3 13201 B13R0.275 CCCCCCOC(C)C(=O)OCC 7a_100000210259_100011216346 [0,2,0,0,0,0|1,0,0]=3 13202 B13R0.275 CCCCCCOC(F)C(=O)OCC 34a_100000210259_100000760018 [0,2,0,0,0,0|1,0,0]=3 13203 B13R0.275 CCCCCCOC(F)C(=O)OCC 7a_100000210259_100000040065 [0,2,0,0,0,0|1,0,0]=3 13204 B13R0.275 CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210314 [0,2,0,0,0,0|1,0,0]=3 13205 B13R0.275 CCCCCCSC(C)C(=O)NCC 62a_100000210314_100000230173 [0,2,0,0,0,0|2,0,0]=4 13206 B13R0.275 CCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210757 [0,2,0,0,0,0|2,0,0]=4 13207 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100000210314_100011216346 [0,2,0,0,0,0|1,0,0]=3 13208 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210757 [0,2,0,0,0,0|1,0,0]=3 13209 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000210314_100000760018 [0,2,0,0,0,0|1,0,0]=3 13210 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210757 [0,2,0,0,0,0|1,0,0]=3 13211 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000210326_100000211299 [0,2,0,0,0,0|1,0,1]=4 13212 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210326 [0,2,0,0,0,0|1,0,1]=4 13213 B13R0.275 CCCCOCSC(C)C(=O)OCC 62a_100011216346_100011995733 [0,2,0,0,0,0|2,0,0]=4 13214 B13R0.275 CCCCOCSC(C)C(=O)OCC 62a_100011995733_100011216346 [0,2,0,0,0,0|2,0,0]=4 13215 B13R0.275 CCCCOCSC(F)C(=O)OCC 62a_100000760018_100011995733 [0,2,0,0,0,0|2,0,0]=4 13216 B13R0.275 CCCCOCSC(F)C(=O)OCC 62a_100011995733_100000760018 [0,2,0,0,0,0|2,0,0]=4 13217 B13R0.275 CCCOCCNC(C)C(=O)OCC 2230a_100161115042_100011215307 [0,2,0,0,0,0|2,0,0]=4 13218 B13R0.275 CCCOCCNC(C)C(=O)OCC 34a_100161115042_100011216346 [0,2,0,0,0,0|2,0,0]=4 13219 B13R0.275 CCCOCCNC(F)C(=O)OCC 2230a_100161115042_100000760018 [0,2,0,0,0,0|2,0,0]=4 13220 B13R0.275 CCCOCCNC(F)C(=O)OCC 34a_100161115042_100000760018 [0,2,0,0,0,0|2,0,0]=4 13221 B13R0.275 CCCOCCOC(C)C(=O)OCC 34a_100000752267_100011216346 [0,2,0,0,0,0|2,0,0]=4 13222 B13R0.275 CCCOCCOC(C)C(=O)OCC 7a_100000752267_100011216346 [0,2,0,0,0,0|2,0,0]=4 13223 B13R0.275 CCCOCCOC(F)C(=O)OCC 34a_100000752267_100000760018 [0,2,0,0,0,0|2,0,0]=4 13224 B13R0.275 CCCOCCOC(F)C(=O)OCC 7a_100000752267_100000040065 [0,2,0,0,0,0|2,0,0]=4 13225 B13R0.275 CCCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215938 [0,2,0,0,0,0|2,0,0]=4 13226 B13R0.275 CCCOCCSC(C)C(=O)OCC 62a_100011215938_100011216346 [0,2,0,0,0,0|2,0,0]=4 13227 B13R0.275 CCCOCCSC(C)C(=O)OCC 62a_100011216346_100011215938 [0,2,0,0,0,0|2,0,0]=4 13228 B13R0.275 CCCOCCSC(F)C(=O)OCC 62a_100000760018_100011215938 [0,2,0,0,0,0|2,0,0]=4 13229 B13R0.275 CCCOCCSC(F)C(=O)OCC 62a_100011215938_100000760018 [0,2,0,0,0,0|2,0,0]=4 13230 B13R0.275 CCCSCCNC(C)C(=O)OCC 2230a_100020603323_100011215307 [0,2,0,0,0,0|2,0,0]=4 13231 B13R0.275 CCCSCCNC(F)C(=O)OCC 2230a_100020603323_100000760018 [0,2,0,0,0,0|2,0,0]=4 13232 B13R0.275 CCCSCCOC(C)C(=O)OCC 34a_200000230433_100011216346 [0,2,0,0,0,0|2,0,0]=4 13233 B13R0.275 CCCSCCOC(C)C(=O)OCC 7a_200000230433_100011216346 [0,2,0,0,0,0|2,0,0]=4 13234 B13R0.275 CCCSCCOC(F)C(=O)OCC 34a_200000230433_100000760018 [0,2,0,0,0,0|2,0,0]=4 13235 B13R0.275 CCCSCCOC(F)C(=O)OCC 7a_200000230433_100000040065 [0,2,0,0,0,0|2,0,0]=4 13236 B13R0.275 CCOC(=O)C(=O)CCCCCNC 2230a_106832991635_100000068741 [0,2,0,0,0,0|1,0,1]=4 13237 B13R0.275 CCOC(=O)C(=O)CCCCCSC 62a_200000210301_100000068741 [0,2,0,0,0,0|1,0,1]=4 13238 B13R0.275 CCOC(=O)C(=O)CCCCCS[13CH3] 62a_200025704644_100000068741 [0,2,0,0,0,0|1,0,1]=4 13239 B13R0.275 CCOC(=O)C(C)NCCCCCO 2230a_100000762737_100011215307 [0,2,0,0,0,0|2,0,0]=4 13240 B13R0.275 CCOC(=O)C(C)NCCCCCO 34a_100000762737_100011216346 [0,2,0,0,0,0|2,0,0]=4 13241 B13R0.275 CCOC(=O)C(C)OCCCCCBr 34a_100000746331_100011216346 [0,2,0,0,0,0|2,0,0]=4 13242 B13R0.275 CCOC(=O)C(C)OCCCCCBr 7a_100000746331_100011216346 [0,2,0,0,0,0|2,0,0]=4 13243 B13R0.275 CCOC(=O)C(C)OCCCCCCl 34a_100000746330_100011216346 [0,2,0,0,0,0|2,0,0]=4 13244 B13R0.275 CCOC(=O)C(C)OCCCCCCl 7a_100000746330_100011216346 [0,2,0,0,0,0|2,0,0]=4 13245 B13R0.275 CCOC(=O)C(C)OCCCCCI 34a_200012148887_100011216346 [0,2,0,0,0,0|2,0,0]=4 13246 B13R0.275 CCOC(=O)C(C)OCCCCCI 7a_200012148887_100011216346 [0,2,0,0,0,0|2,0,0]=4 13247 B13R0.275 CCOC(=O)C(C)OCCCCCN 34a_100000762737_100011216346 [0,2,0,0,0,0|2,0,0]=4 13248 B13R0.275 CCOC(=O)C(C)OCCCCOC 34a_100000740925_100011216346 [0,2,0,0,0,0|2,0,0]=4 13249 B13R0.275 CCOC(=O)C(C)OCCCCSC 34a_100011217163_100011216346 [0,2,0,0,0,0|2,0,0]=4 13250 B13R0.275 CCOC(=O)C(C)OCCCCSC 7a_100011217163_100011216346 [0,2,0,0,0,0|2,0,0]=4 13251 B13R0.275 CCOC(=O)C(C)OCCCSCC 34a_100011216438_100011216346 [0,2,0,0,0,0|2,0,0]=4 13252 B13R0.275 CCOC(=O)C(C)OCCCSCC 7a_100011216438_100011216346 [0,2,0,0,0,0|2,0,0]=4 13253 B13R0.275 CCOC(=O)C(C)SCCCCCF 62a_100000729378_100011216346 [0,2,0,0,0,0|2,0,0]=4 13254 B13R0.275 CCOC(=O)C(C)SCCCCCF 62a_100011216346_100000729378 [0,2,0,0,0,0|2,0,0]=4 13255 B13R0.275 CCOC(=O)C(C)SCCCCCO 62a_100000746330_100011216346 [0,2,0,0,0,0|2,0,0]=4 13256 B13R0.275 CCOC(=O)C(C)SCCCCCO 62a_100011216346_100000746330 [0,2,0,0,0,0|2,0,0]=4 13257 B13R0.275 CCOC(=O)C(C)SCCCCOC 62a_100000730899_100011216346 [0,2,0,0,0,0|2,0,0]=4 13258 B13R0.275 CCOC(=O)C(C)SCCCCOC 62a_100011216346_100000730899 [0,2,0,0,0,0|2,0,0]=4 13259 B13R0.275 CCOC(=O)C(F)NCCCCCO 2230a_100000762737_100000760018 [0,2,0,0,0,0|2,0,0]=4 13260 B13R0.275 CCOC(=O)C(F)NCCCCCO 34a_100000762737_100000760018 [0,2,0,0,0,0|2,0,0]=4 13261 B13R0.275 CCOC(=O)C(F)OCCCCCBr 34a_100000746331_100000760018 [0,2,0,0,0,0|2,0,0]=4 13262 B13R0.275 CCOC(=O)C(F)OCCCCCBr 7a_100000746331_100000040065 [0,2,0,0,0,0|2,0,0]=4 13263 B13R0.275 CCOC(=O)C(F)OCCCCCCl 34a_100000746330_100000760018 [0,2,0,0,0,0|2,0,0]=4 13264 B13R0.275 CCOC(=O)C(F)OCCCCCCl 7a_100000746330_100000040065 [0,2,0,0,0,0|2,0,0]=4 13265 B13R0.275 CCOC(=O)C(F)OCCCCCI 34a_200012148887_100000760018 [0,2,0,0,0,0|2,0,0]=4 13266 B13R0.275 CCOC(=O)C(F)OCCCCCI 7a_200012148887_100000040065 [0,2,0,0,0,0|2,0,0]=4 13267 B13R0.275 CCOC(=O)C(F)OCCCCCN 34a_100000762737_100000760018 [0,2,0,0,0,0|2,0,0]=4 13268 B13R0.275 CCOC(=O)C(F)OCCCCOC 34a_100000740925_100000760018 [0,2,0,0,0,0|2,0,0]=4 13269 B13R0.275 CCOC(=O)C(F)OCCCCSC 34a_100011217163_100000760018 [0,2,0,0,0,0|2,0,0]=4 13270 B13R0.275 CCOC(=O)C(F)OCCCCSC 7a_100011217163_100000040065 [0,2,0,0,0,0|2,0,0]=4 13271 B13R0.275 CCOC(=O)C(F)OCCCSCC 34a_100011216438_100000760018 [0,2,0,0,0,0|2,0,0]=4 13272 B13R0.275 CCOC(=O)C(F)OCCCSCC 7a_100011216438_100000040065 [0,2,0,0,0,0|2,0,0]=4 13273 B13R0.275 CCOC(=O)C(F)SCCCCCF 62a_100000729378_100000760018 [0,2,0,0,0,0|2,0,0]=4 13274 B13R0.275 CCOC(=O)C(F)SCCCCCF 62a_100000760018_100000729378 [0,2,0,0,0,0|2,0,0]=4 13275 B13R0.275 CCOC(=O)C(F)SCCCCCO 62a_100000746330_100000760018 [0,2,0,0,0,0|2,0,0]=4 13276 B13R0.275 CCOC(=O)C(F)SCCCCCO 62a_100000760018_100000746330 [0,2,0,0,0,0|2,0,0]=4 13277 B13R0.275 CCOC(=O)C(F)SCCCCOC 62a_100000730899_100000760018 [0,2,0,0,0,0|2,0,0]=4 13278 B13R0.275 CCOC(=O)C(F)SCCCCOC 62a_100000760018_100000730899 [0,2,0,0,0,0|2,0,0]=4 13279 B13R0.275 CCOC(=O)[C@H](C)OCCCCCF 7a_100000751109_100000729378 [0,2,0,0,0,0|2,0,0]=4 13280 B13R0.275 CCOC(=O)[C@H](C)OCCCCCO 7a_100000751109_100000746330 [0,2,0,0,0,0|2,0,0]=4 13281 B13R0.275 CCOC(=O)[C@H](C)OCCCCOC 7a_100000751109_100000730899 [0,2,0,0,0,0|2,0,0]=4 13282 B13R0.275 CCOCCCNC(C)C(=O)OCC 2230a_100000210961_100011215307 [0,2,0,0,0,0|2,0,0]=4 13283 B13R0.275 CCOCCCNC(C)C(=O)OCC 34a_100000210961_100011216346 [0,2,0,0,0,0|2,0,0]=4 13284 B13R0.275 CCOCCCNC(F)C(=O)OCC 2230a_100000210961_100000760018 [0,2,0,0,0,0|2,0,0]=4 13285 B13R0.275 CCOCCCNC(F)C(=O)OCC 34a_100000210961_100000760018 [0,2,0,0,0,0|2,0,0]=4 13286 B13R0.275 CCOCCCOC(C)C(=O)OCC 34a_100000757476_100011216346 [0,2,0,0,0,0|2,0,0]=4 13287 B13R0.275 CCOCCCOC(C)C(=O)OCC 7a_100000757476_100011216346 [0,2,0,0,0,0|2,0,0]=4 13288 B13R0.275 CCOCCCOC(F)C(=O)OCC 34a_100000757476_100000760018 [0,2,0,0,0,0|2,0,0]=4 13289 B13R0.275 CCOCCCOC(F)C(=O)OCC 7a_100000757476_100000040065 [0,2,0,0,0,0|2,0,0]=4 13290 B13R0.275 CCOCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100012232248 [0,2,0,0,0,0|2,0,0]=4 13291 B13R0.275 CCOCCCSC(C)C(=O)OCC 62a_100011216346_100012232248 [0,2,0,0,0,0|2,0,0]=4 13292 B13R0.275 CCOCCCSC(C)C(=O)OCC 62a_100012232248_100011216346 [0,2,0,0,0,0|2,0,0]=4 13293 B13R0.275 CCOCCCSC(F)C(=O)OCC 62a_100000760018_100012232248 [0,2,0,0,0,0|2,0,0]=4 13294 B13R0.275 CCOCCCSC(F)C(=O)OCC 62a_100012232248_100000760018 [0,2,0,0,0,0|2,0,0]=4 13295 B13R0.282 CCCCCCCCC(CC)OCC 34a_200011216270_100000210202 [0,2,0,0,0,0|1,0,1]=4 13296 B13R0.282 CCCCCCCCC(CC)OCC 7a_200011216270_100000210202 [0,2,0,0,0,0|1,0,1]=4 13297 B13R0.282 CCCCCCCCC(CC)OCF 34a_200011216270_100015361967 [0,2,0,0,0,0|1,0,1]=4 13298 B13R0.282 CCCCCCCCC(CC)OCF 7a_200011216270_100015361967 [0,2,0,0,0,0|1,0,1]=4 13299 B13R0.282 CCCCCCCCC(CCC)OC 34a_200011218034_200000210301 [0,2,0,0,0,0|1,0,1]=4 13300 B13R0.282 CCCCCCCCC(CCC)OC 7a_200011218034_200000210301 [0,2,0,0,0,0|1,0,1]=4 13301 B13R0.282 CCCCCCCCC(CCC)O[13CH3] 34a_200011218034_200025704644 [0,2,0,0,0,0|1,0,1]=4 13302 B13R0.282 CCCCCCCCC(CCC)O[13CH3] 7a_200011218034_200025704644 [0,2,0,0,0,0|1,0,1]=4 13303 B13R0.330 C=COC(=O)CC(=O)CCCCCC 1458a_100102632555_100000036128 [0,2,0,0,0,0|0,0,2]=4 13304 B13R0.330 C=COC(=O)CN(C)CCCCCC 2230a_106256046315_100000036128 [0,2,0,0,0,0|1,0,1]=4 13305 B13R0.330 C=COC(=O)CN(C)CCCCCC 269982a_106256046315_100000036128 [0,2,0,0,0,0|1,0,1]=4 13306 B13R0.330 CC=CC(=O)NC(C)CCCCCC 11a_100000210919_100000210699 [0,2,0,0,0,0|2,0,0]=4 13307 B13R0.330 CC=CC(=O)NC(C)CCCCCC 1626a_100000210919_100000210699 [0,2,0,0,0,0|2,0,0]=4 13308 B13R0.330 CC=CC(=O)NC(C)CCCCCC 240690a_100000210919_100000210699 [0,2,0,0,0,0|2,0,0]=4 13309 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [0,2,0,0,0,0|1,0,1]=4 13310 B13R0.330 CCCCCCC(=O)CC(=O)NCC 1458a_100102632555_100000183381 [0,2,0,0,0,0|1,0,1]=4 13311 B13R0.330 CCCCCCC(=O)CC(=O)NCO 1458a_100102632555_100000185155 [0,2,0,0,0,0|1,0,1]=4 13312 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210757 [0,2,0,0,0,0|0,0,1]=3 13313 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100102632555_100000188475 [0,2,0,0,0,0|0,0,1]=3 13314 B13R0.330 CCCCCCC(C)NC(=O)CCC 11a_100000210919_100000211992 [0,2,0,0,0,0|2,0,0]=4 13315 B13R0.330 CCCCCCC(C)NC(=O)CCC 1626a_100000210919_100000211992 [0,2,0,0,0,0|2,0,0]=4 13316 B13R0.330 CCCCCCC(C)NC(=O)CCC 240690a_100000210919_100000211992 [0,2,0,0,0,0|2,0,0]=4 13317 B13R0.330 CCCCCCC(C)NC(=O)CCC 527a_100000210919_100000211992 [0,2,0,0,0,0|2,0,0]=4 13318 B13R0.330 CCCCCCC(C)NC(=O)CCO 240690a_100000210919_100011216618 [0,2,0,0,0,0|2,0,0]=4 13319 B13R0.330 CCCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230341 [0,2,0,0,0,0|2,0,0]=4 13320 B13R0.330 CCCCCCC(C)NC(=O)CNC 34a_100102657272_100000230341 [0,2,0,0,0,0|2,0,0]=4 13321 B13R0.330 CCCCCCC(C)NC(=O)CNC 7a_106832991635_100000230341 [0,2,0,0,0,0|2,0,0]=4 13322 B13R0.330 CCCCCCC(C)NC(=O)COC 11a_100000210919_100000210968 [0,2,0,0,0,0|1,0,0]=3 13323 B13R0.330 CCCCCCC(C)NC(=O)COC 1626a_100000210919_100000210968 [0,2,0,0,0,0|1,0,0]=3 13324 B13R0.330 CCCCCCC(C)NC(=O)COC 240690a_100000210919_100000210968 [0,2,0,0,0,0|1,0,0]=3 13325 B13R0.330 CCCCCCC(C)NC(=O)COC 34a_100138415774_100000230341 [0,2,0,0,0,0|1,0,0]=3 13326 B13R0.330 CCCCCCC(C)NC(=O)COC 527a_100000210919_100000210968 [0,2,0,0,0,0|1,0,0]=3 13327 B13R0.330 CCCCCCC(C)NC(=O)CSC 11a_100000210919_100000184570 [0,2,0,0,0,0|1,1,0]=4 13328 B13R0.330 CCCCCCC(C)NC(=O)CSC 1626a_100000210919_100000184570 [0,2,0,0,0,0|1,1,0]=4 13329 B13R0.330 CCCCCCC(C)NC(=O)CSC 240690a_100000210919_100000184570 [0,2,0,0,0,0|1,1,0]=4 13330 B13R0.330 CCCCCCC(C)NC(=O)CSC 527a_100000210919_100000184570 [0,2,0,0,0,0|1,1,0]=4 13331 B13R0.330 CCCCCCC(C)NC(=O)CSC 62a_100000230341_200000210301 [0,2,0,0,0,0|1,1,0]=4 13332 B13R0.330 CCCCCCC(C)NC(=O)CSC 62a_200000210301_100000230341 [0,2,0,0,0,0|1,1,0]=4 13333 B13R0.330 CCCCCCC(C)NC(=O)CS[13CH3] 62a_100000230341_200025704644 [0,2,0,0,0,0|1,1,0]=4 13334 B13R0.330 CCCCCCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000230341 [0,2,0,0,0,0|1,1,0]=4 13335 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100000210919_100015525214 [0,2,0,0,0,0|2,0,0]=4 13336 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100015525214_100000210919 [0,2,0,0,0,0|2,0,0]=4 13337 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100000210919_100015525214 [0,2,0,0,0,0|2,0,0]=4 13338 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100015525214_100000210919 [0,2,0,0,0,0|2,0,0]=4 13339 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100000210919_100015525214 [0,2,0,0,0,0|2,0,0]=4 13340 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100015525214_100000210919 [0,2,0,0,0,0|2,0,0]=4 13341 B13R0.330 CCCCCCC(C)NC(=O)NNC 273464a_100000210919_100016993582 [0,2,0,0,0,0|2,0,0]=4 13342 B13R0.330 CCCCCCC(C)NC(=O)NNC 512a_100000210919_100016993582 [0,2,0,0,0,0|2,0,0]=4 13343 B13R0.330 CCCCCCC(C)NC(=O)NNC 512a_100016993582_100000210919 [0,2,0,0,0,0|2,0,0]=4 13344 B13R0.330 CCCCCCN(C)CC(=O)CCC 2230a_106256046315_100000747444 [0,2,0,0,0,0|2,0,0]=4 13345 B13R0.330 CCCCCCN(C)CC(=O)CCC 269982a_106256046315_100000747444 [0,2,0,0,0,0|2,0,0]=4 13346 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210314 [0,2,0,0,0,0|2,0,0]=4 13347 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_106256046315_100000183381 [0,2,0,0,0,0|2,0,0]=4 13348 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210757 [0,2,0,0,0,0|2,0,0]=4 13349 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_106256046315_100000183381 [0,2,0,0,0,0|2,0,0]=4 13350 B13R0.330 CCCCCCN(C)CC(=O)NCO 2230a_106256046315_100000185155 [0,2,0,0,0,0|2,0,0]=4 13351 B13R0.330 CCCCCCN(C)CC(=O)NCO 269982a_106256046315_100000185155 [0,2,0,0,0,0|2,0,0]=4 13352 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210314 [0,2,0,0,0,0|1,0,0]=3 13353 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_106256046315_100000188475 [0,2,0,0,0,0|1,0,0]=3 13354 B13R0.330 CCCCCCN(C)CC(=O)OCC 269982a_106256046315_100000188475 [0,2,0,0,0,0|1,0,0]=3 13355 B13R0.330 CCCCCNC(=O)CC(=O)COC 1458a_100000210968_100000230301 [0,2,0,0,0,0|1,0,1]=4 13356 B13R0.330 CCCCCNC(=O)CC(=O)OCC 240690a_100000209983_100000243816 [0,2,0,0,0,0|1,0,1]=4 13357 B13R0.330 CCCCCNC(C)CC(=O)OCC 2230a_100000209983_100009817359 [0,2,0,0,0,0|1,0,0]=3 13358 B13R0.330 CCCCCOC(C)CC(=O)OCC 7a_100000210253_100009817359 [0,2,0,0,0,0|1,0,0]=3 13359 B13R0.330 CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210326 [0,2,0,0,0,0|1,0,0]=3 13360 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100000210326_100009817359 [0,2,0,0,0,0|1,0,0]=3 13361 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210326 [0,2,0,0,0,0|1,0,0]=3 13362 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210326 [0,2,0,0,0,0|2,0,0]=4 13363 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000210326_100000036008 [0,2,0,0,0,0|2,0,0]=4 13364 B13R0.330 CCCCNC[C@@H](O)CC(=O)OCC 7a_106832991798_100000688340 [0,2,0,0,0,0|1,0,0]=3 13365 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000243816_100011995733 [0,2,0,0,0,0|1,0,1]=4 13366 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000757543_100000188475 [0,2,0,0,0,0|1,0,1]=4 13367 B13R0.330 CCCCOCN(C)CC(=O)OCC 2230a_100000220588_100011995733 [0,2,0,0,0,0|2,0,0]=4 13368 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 34a_100000210227_100000688340 [0,2,0,0,0,0|1,0,0]=3 13369 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 7a_100000210227_100000688340 [0,2,0,0,0,0|1,0,0]=3 13370 B13R0.330 CCCCSCC(=O)CC(=O)OCC 1458a_100000191162_100000188475 [0,2,0,0,0,0|1,0,1]=4 13371 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210211_100000210311 [0,2,0,0,0,0|1,0,1]=4 13372 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210210 [0,2,0,0,0,0|1,0,1]=4 13373 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000210211_100000688340 [0,2,0,0,0,0|1,0,0]=3 13374 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210210 [0,2,0,0,0,0|1,0,0]=3 13375 B13R0.330 CCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215938 [0,2,0,0,0,0|1,0,1]=4 13376 B13R0.330 CCCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215938 [0,2,0,0,0,0|2,0,0]=4 13377 B13R0.330 CCOC(=O)CC(=O)CCCCCF 1458a_100000243816_100000729378 [0,2,0,0,0,0|1,0,1]=4 13378 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100000243816_100000746330 [0,2,0,0,0,0|1,0,1]=4 13379 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000188475 [0,2,0,0,0,0|1,0,1]=4 13380 B13R0.330 CCOC(=O)CC(=O)CCCCOC 1458a_100000243816_100000755781 [0,2,0,0,0,0|1,0,1]=4 13381 B13R0.330 CCOC(=O)CC(C)NCCCCO 2230a_100000750430_100009817359 [0,2,0,0,0,0|2,0,0]=4 13382 B13R0.330 CCOC(=O)CC(C)NCCCSC 2230a_100000749238_100009817359 [0,2,0,0,0,0|2,0,0]=4 13383 B13R0.330 CCOC(=O)CC(C)NCCSCC 2230a_100000106463_100009817359 [0,2,0,0,0,0|2,0,0]=4 13384 B13R0.330 CCOC(=O)CC(C)OCCCCCl 7a_100000210776_100009817359 [0,2,0,0,0,0|2,0,0]=4 13385 B13R0.330 CCOC(=O)CC(C)OCCCCF 7a_100011995726_100009817359 [0,2,0,0,0,0|2,0,0]=4 13386 B13R0.330 CCOC(=O)CC(C)OCCCSC 7a_100000690336_100009817359 [0,2,0,0,0,0|2,0,0]=4 13387 B13R0.330 CCOC(=O)CC(C)OCCSCC 7a_100000212035_100009817359 [0,2,0,0,0,0|2,0,0]=4 13388 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100000729493_100009817359 [0,2,0,0,0,0|2,0,0]=4 13389 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100009817359_100000729493 [0,2,0,0,0,0|2,0,0]=4 13390 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100000210776_100009817359 [0,2,0,0,0,0|2,0,0]=4 13391 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100009817359_100000210776 [0,2,0,0,0,0|2,0,0]=4 13392 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100000709357_100009817359 [0,2,0,0,0,0|2,0,0]=4 13393 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100009817359_100000709357 [0,2,0,0,0,0|2,0,0]=4 13394 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100000757381_100009817359 [0,2,0,0,0,0|2,0,0]=4 13395 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100009817359_100000757381 [0,2,0,0,0,0|2,0,0]=4 13396 B13R0.330 CCOC(=O)CN(C)CCCCCF 2230a_100000220588_100000729378 [0,2,0,0,0,0|2,0,0]=4 13397 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000220588_100000746330 [0,2,0,0,0,0|2,0,0]=4 13398 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000722520_100000188475 [0,2,0,0,0,0|2,0,0]=4 13399 B13R0.330 CCOC(=O)CN(C)CCCCCO 269982a_100000722520_100000188475 [0,2,0,0,0,0|2,0,0]=4 13400 B13R0.330 CCOC(=O)CN(C)CCCCOC 2230a_100000220588_100000730899 [0,2,0,0,0,0|2,0,0]=4 13401 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCF 7a_100009816390_100000729493 [0,2,0,0,0,0|2,0,0]=4 13402 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCO 7a_100009816390_100000210776 [0,2,0,0,0,0|2,0,0]=4 13403 B13R0.330 CCOC(=O)C[C@@H](C)OCCCOC 7a_100009816390_100000740836 [0,2,0,0,0,0|2,0,0]=4 13404 B13R0.330 CCOC(=O)C[C@@H](C)OCCSCC 7a_100009816390_100000757381 [0,2,0,0,0,0|2,0,0]=4 13405 B13R0.330 CCOC(=O)C[C@H](O)CNCCCF 34a_100015189416_100000688340 [0,2,0,0,0,0|2,0,0]=4 13406 B13R0.330 CCOC(=O)C[C@H](O)COCCCBr 34a_100011217188_100000688340 [0,2,0,0,0,0|2,0,0]=4 13407 B13R0.330 CCOC(=O)C[C@H](O)COCCCCl 34a_100000230001_100000688340 [0,2,0,0,0,0|2,0,0]=4 13408 B13R0.330 CCOC(=O)C[C@H](O)COCCCF 34a_100000759539_100000688340 [0,2,0,0,0,0|2,0,0]=4 13409 B13R0.330 CCOC(=O)C[C@H](O)COCCCN 34a_100000182051_100000688340 [0,2,0,0,0,0|2,0,0]=4 13410 B13R0.330 CCOC(=O)C[C@H](O)COCCOC 34a_100000210237_100000688340 [0,2,0,0,0,0|2,0,0]=4 13411 B13R0.330 CCOC(=O)C[C@H](O)COCCSC 34a_100000230434_100000688340 [0,2,0,0,0,0|2,0,0]=4 13412 B13R0.330 CCOC(=O)C[C@H](O)COCCSC 7a_100000230434_100000688340 [0,2,0,0,0,0|2,0,0]=4 13413 B13R0.330 CCOC(=O)C[C@H](O)CSCCCF 62a_100000688340_100011934791 [0,2,0,0,0,0|2,0,0]=4 13414 B13R0.330 CCOC(=O)C[C@H](O)CSCCCF 62a_100011934791_100000688340 [0,2,0,0,0,0|2,0,0]=4 13415 B13R0.330 CCOC(=O)C[C@H](O)CSCCCO 62a_100000688340_100011215043 [0,2,0,0,0,0|2,0,0]=4 13416 B13R0.330 CCOC(=O)C[C@H](O)CSCCCO 62a_100011215043_100000688340 [0,2,0,0,0,0|2,0,0]=4 13417 B13R0.330 CCOC(=O)C[C@H](O)CSCCOC 62a_100000233755_100000688340 [0,2,0,0,0,0|2,0,0]=4 13418 B13R0.330 CCOC(=O)C[C@H](O)CSCCOC 62a_100000688340_100000233755 [0,2,0,0,0,0|2,0,0]=4 13419 B13R0.330 CCOC(=O)C[C@H](O)CSCCSC 62a_100000212216_100000688340 [0,2,0,0,0,0|2,0,0]=4 13420 B13R0.330 CCOC(=O)C[C@H](O)CSCCSC 62a_100000688340_100000751147 [0,2,0,0,0,0|2,0,0]=4 13421 B13R0.330 CCOCCCC(=O)CC(=O)OCC 1458a_100000243816_100012232248 [0,2,0,0,0,0|1,0,1]=4 13422 B13R0.330 CCOCCCN(C)CC(=O)OCC 2230a_100000220588_100012232248 [0,2,0,0,0,0|2,0,0]=4 13423 B13R0.330 CCOCCNC(C)CC(=O)OCC 2230a_102516460346_100009817359 [0,2,0,0,0,0|2,0,0]=4 13424 B13R0.330 CCOCCOC(C)CC(=O)OCC 7a_100000210136_100009817359 [0,2,0,0,0,0|2,0,0]=4 13425 B13R0.330 CCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215890 [0,2,0,0,0,0|2,0,0]=4 13426 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100000210147_100009817359 [0,2,0,0,0,0|2,0,0]=4 13427 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100009817359_100011215890 [0,2,0,0,0,0|2,0,0]=4 13428 B13R0.330 CCOCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000739092 [0,2,0,0,0,0|2,0,0]=4 13429 B13R0.330 CCOCSC[C@@H](O)CC(=O)OCC 62a_100000739092_100000688340 [0,2,0,0,0,0|2,0,0]=4 13430 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [0,2,0,0,0,0|1,0,0]=3 13431 B13R0.335 C=C(C)CC(=O)CCCCCCCO 1458a_100011219782_100000748629 [0,2,0,0,0,0|2,0,0]=4 13432 B13R0.335 C=C(F)CC(=O)CCCCCCCC 1458a_100000210188_100009893438 [0,2,0,0,0,0|1,0,1]=4 13433 B13R0.335 CC(=CC(=O)CCCCCCCO)C 1458a_100000211388_100000760002 [0,2,0,0,0,0|2,0,0]=4 13434 B13R0.335 CC(=CC(=O)CCCCCCCO)Cl 1458a_200042562850_100000760002 [0,2,0,0,0,0|2,0,0]=4 13435 B13R0.335 CC(=CC(=O)CCCCCCCO)I 1458a_100025716642_100000760002 [0,2,0,0,0,0|2,0,0]=4 13436 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100000210554_100000760002 [0,2,0,0,0,0|2,0,0]=4 13437 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100011219782_100000210624 [0,2,0,0,0,0|2,0,0]=4 13438 B13R0.335 CC(C)NC(=O)CCCCCCCO 240690a_100138425928_100011219782 [0,2,0,0,0,0|2,0,0]=4 13439 B13R0.335 CC(C)OC(=O)CCCCCSCF 62a_100015361967_200010986244 [0,2,0,0,0,0|2,0,0]=4 13440 B13R0.335 CC(C)OC(=O)CCCCCSCF 62a_200010986244_100015361967 [0,2,0,0,0,0|2,0,0]=4 13441 B13R0.335 CC(C)OC(=O)CCNCCCCO 2230a_100000750430_100000760027 [0,2,0,0,0,0|2,0,0]=4 13442 B13R0.335 CC(C)OC(=O)CCOCCCCCl 7a_100000210776_100000760027 [0,2,0,0,0,0|2,0,0]=4 13443 B13R0.335 CC(C)OC(=O)CCOCCCCF 7a_100011995726_100000760027 [0,2,0,0,0,0|2,0,0]=4 13444 B13R0.335 CC(C)OC(=O)CCSCCCCF 62a_100000729493_100000760027 [0,2,0,0,0,0|2,0,0]=4 13445 B13R0.335 CC(C)OC(=O)CCSCCCCF 62a_100000760027_100000729493 [0,2,0,0,0,0|2,0,0]=4 13446 B13R0.335 CC(C)OC(=O)CCSCCCCO 62a_100000210776_100000760027 [0,2,0,0,0,0|2,0,0]=4 13447 B13R0.335 CC(C)OC(=O)CCSCCCCO 62a_100000760027_100000210776 [0,2,0,0,0,0|2,0,0]=4 13448 B13R0.335 CC(C)OC(=O)CNCCCCCO 2230a_100000762737_100011215430 [0,2,0,0,0,0|2,0,0]=4 13449 B13R0.335 CC(C)OC(=O)CNCCCCCO 34a_100000762737_100011215430 [0,2,0,0,0,0|2,0,0]=4 13450 B13R0.335 CC(C)OC(=O)COCCCCCBr 34a_100000746331_100011215430 [0,2,0,0,0,0|2,0,0]=4 13451 B13R0.335 CC(C)OC(=O)COCCCCCBr 7a_100000746331_100011215430 [0,2,0,0,0,0|2,0,0]=4 13452 B13R0.335 CC(C)OC(=O)COCCCCCCl 34a_100000746330_100011215430 [0,2,0,0,0,0|2,0,0]=4 13453 B13R0.335 CC(C)OC(=O)COCCCCCCl 7a_100000746330_100011215430 [0,2,0,0,0,0|2,0,0]=4 13454 B13R0.335 CC(C)OC(=O)COCCCCCI 34a_200012148887_100011215430 [0,2,0,0,0,0|2,0,0]=4 13455 B13R0.335 CC(C)OC(=O)COCCCCCI 7a_200012148887_100011215430 [0,2,0,0,0,0|2,0,0]=4 13456 B13R0.335 CC(C)OC(=O)COCCCCCN 34a_100000762737_100011215430 [0,2,0,0,0,0|2,0,0]=4 13457 B13R0.335 CC(C)OC(=O)CSCCCCCF 62a_100000729378_100011215430 [0,2,0,0,0,0|2,0,0]=4 13458 B13R0.335 CC(C)OC(=O)CSCCCCCF 62a_100011215430_100000729378 [0,2,0,0,0,0|2,0,0]=4 13459 B13R0.335 CC(C)OC(=O)CSCCCCCO 62a_100000746330_100011215430 [0,2,0,0,0,0|2,0,0]=4 13460 B13R0.335 CC(C)OC(=O)CSCCCCCO 62a_100011215430_100000746330 [0,2,0,0,0,0|2,0,0]=4 13461 B13R0.335 CC(O)CC(=O)CCCCCCCO 1458a_100011219782_100011218427 [0,2,0,0,0,0|2,0,0]=4 13462 B13R0.335 CCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210759 [0,2,0,0,0,0|1,0,0]=3 13463 B13R0.335 CCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210759 [0,2,0,0,0,0|1,0,0]=3 13464 B13R0.335 CCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210759 [0,2,0,0,0,0|1,0,0]=3 13465 B13R0.335 CCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210759 [0,2,0,0,0,0|1,0,1]=4 13466 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [0,2,0,0,0,0|1,0,1]=4 13467 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [0,2,0,0,0,0|1,0,1]=4 13468 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [0,2,0,0,0,0|1,0,1]=4 13469 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210188_100000210624 [0,2,0,0,0,0|1,0,0]=3 13470 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210759 [0,2,0,0,0,0|1,0,0]=3 13471 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [0,2,0,0,0,0|1,0,0]=3 13472 B13R0.335 CCCCCCCCC(=O)CC(F)F 1458a_100000210188_100011934356 [0,2,0,0,0,0|1,0,0]=3 13473 B13R0.335 CCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210759 [0,2,0,0,0,0|1,0,0]=3 13474 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [0,2,0,0,0,0|1,0,0]=3 13475 B13R0.335 CCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210188_100000761209 [0,2,0,0,0,0|2,0,0]=4 13476 B13R0.335 CCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210759 [0,2,0,0,0,0|0,1,0]=3 13477 B13R0.335 CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210188 [0,2,0,0,0,0|1,0,0]=3 13478 B13R0.335 CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210188 [0,2,0,0,0,0|1,0,0]=3 13479 B13R0.335 CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210188 [0,2,0,0,0,0|1,0,0]=3 13480 B13R0.335 CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210188 [0,2,0,0,0,0|1,0,0]=3 13481 B13R0.335 CCCCCCCCC(C)OC(C)C 34a_100000210740_100000210206 [0,2,0,0,0,0|1,0,1]=4 13482 B13R0.335 CCCCCCCCC(C)OC(C)C 7a_100000210740_100000210206 [0,2,0,0,0,0|1,0,1]=4 13483 B13R0.335 CCCCCCCNC(=O)C=C(C)C 11a_100000229938_100000211388 [0,2,0,0,0,0|2,0,0]=4 13484 B13R0.335 CCCCCCCNC(=O)C=C(C)C 1626a_100000229938_100000211388 [0,2,0,0,0,0|2,0,0]=4 13485 B13R0.335 CCCCCCCNC(=O)C=C(C)C 240690a_100000229938_100000211388 [0,2,0,0,0,0|2,0,0]=4 13486 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 11a_100000229938_200042562850 [0,2,0,0,0,0|2,0,0]=4 13487 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 1626a_100000229938_200042562850 [0,2,0,0,0,0|2,0,0]=4 13488 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 240690a_100000229938_200042562850 [0,2,0,0,0,0|2,0,0]=4 13489 B13R0.335 CCCCCCCNC(=O)C=C(C)I 11a_100000229938_100025716642 [0,2,0,0,0,0|2,0,0]=4 13490 B13R0.335 CCCCCCCNC(=O)C=C(C)I 1626a_100000229938_100025716642 [0,2,0,0,0,0|2,0,0]=4 13491 B13R0.335 CCCCCCCNC(=O)CC(C)C 11a_100000229938_100000210554 [0,2,0,0,0,0|2,0,0]=4 13492 B13R0.335 CCCCCCCNC(=O)CC(C)C 1626a_100000229938_100000210554 [0,2,0,0,0,0|2,0,0]=4 13493 B13R0.335 CCCCCCCNC(=O)CC(C)C 240690a_100000229938_100000210554 [0,2,0,0,0,0|2,0,0]=4 13494 B13R0.335 CCCCCCCNC(=O)CC(C)C 527a_100000229938_100000210554 [0,2,0,0,0,0|2,0,0]=4 13495 B13R0.335 CCCCCCCNC(=O)CN(C)C 11a_100000229938_100000750896 [0,2,0,0,0,0|2,0,0]=4 13496 B13R0.335 CCCCCCCNC(=O)CN(C)C 240690a_100000229938_100000750896 [0,2,0,0,0,0|2,0,0]=4 13497 B13R0.335 CCCCCCCNC(=O)CN(C)C 527a_100000229938_100000750896 [0,2,0,0,0,0|2,0,0]=4 13498 B13R0.335 CCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229938_100011933948 [0,2,0,0,0,0|2,0,0]=4 13499 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 11a_100000229938_200159257847 [0,2,0,0,0,0|1,1,0]=4 13500 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 1626a_100000229938_200159257847 [0,2,0,0,0,0|1,1,0]=4 13501 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 240690a_100000229938_200159257847 [0,2,0,0,0,0|1,1,0]=4 13502 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 527a_100000229938_200159257847 [0,2,0,0,0,0|1,1,0]=4 13503 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100000229938_100138425928 [0,2,0,0,0,0|2,0,0]=4 13504 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229938 [0,2,0,0,0,0|2,0,0]=4 13505 B13R0.335 CCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229938 [0,2,0,0,0,0|2,0,0]=4 13506 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100000229938_100138425928 [0,2,0,0,0,0|2,0,0]=4 13507 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229938 [0,2,0,0,0,0|2,0,0]=4 13508 B13R0.335 CCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210314 [0,2,0,0,0,0|2,0,0]=4 13509 B13R0.335 CCCCCCNCC(=O)NC(C)C 2230a_100000210581_100000183996 [0,2,0,0,0,0|2,0,0]=4 13510 B13R0.335 CCCCCCNCC(=O)OC(C)C 2230a_100000210581_100011215430 [0,2,0,0,0,0|1,0,0]=3 13511 B13R0.335 CCCCCCOCC(=O)NC(=O)C 7a_100000210259_100000183797 [0,2,0,0,0,0|2,0,0]=4 13512 B13R0.335 CCCCCCOCC(=O)NC(C)C 34a_100000210259_100000183996 [0,2,0,0,0,0|2,0,0]=4 13513 B13R0.335 CCCCCCOCC(=O)NC(C)C 7a_100000210259_100000183996 [0,2,0,0,0,0|2,0,0]=4 13514 B13R0.335 CCCCCCOCC(=O)OC(C)C 34a_100000210259_100011215430 [0,2,0,0,0,0|1,0,0]=3 13515 B13R0.335 CCCCCCOCC(=O)OC(C)C 7a_100000210259_100011215430 [0,2,0,0,0,0|1,0,0]=3 13516 B13R0.335 CCCCCCSCC(=O)NC(=O)C 62a_100000210314_100000183797 [0,2,0,0,0,0|2,0,0]=4 13517 B13R0.335 CCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210757 [0,2,0,0,0,0|2,0,0]=4 13518 B13R0.335 CCCCCCSCC(=O)NC(C)C 62a_100000210314_100000183996 [0,2,0,0,0,0|2,0,0]=4 13519 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100000210314_100011215430 [0,2,0,0,0,0|1,0,0]=3 13520 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210757 [0,2,0,0,0,0|1,0,0]=3 13521 B13R0.335 CCCCCNCCC(=O)NC(C)C 2230a_100000209983_100000737564 [0,2,0,0,0,0|2,0,0]=4 13522 B13R0.335 CCCCCNCCC(=O)OC(C)C 2230a_100000209983_100000760027 [0,2,0,0,0,0|1,0,0]=3 13523 B13R0.335 CCCCCOCCC(=O)NC(C)C 7a_100000210253_100000737564 [0,2,0,0,0,0|2,0,0]=4 13524 B13R0.335 CCCCCOCCC(=O)OC(C)C 7a_100000210253_100000760027 [0,2,0,0,0,0|1,0,0]=3 13525 B13R0.335 CCCCCSCCC(=O)NC(C)C 62a_100000210326_100000737564 [0,2,0,0,0,0|2,0,0]=4 13526 B13R0.335 CCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210326 [0,2,0,0,0,0|2,0,0]=4 13527 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000210326_100000760027 [0,2,0,0,0,0|1,0,0]=3 13528 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210326 [0,2,0,0,0,0|1,0,0]=3 13529 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210326 [0,2,0,0,0,0|2,0,0]=4 13530 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000210326_100000003507 [0,2,0,0,0,0|2,0,0]=4 13531 B13R0.335 CCCCOCSCC(=O)OC(C)C 62a_100011215430_100011995733 [0,2,0,0,0,0|2,0,0]=4 13532 B13R0.335 CCCCOCSCC(=O)OC(C)C 62a_100011995733_100011215430 [0,2,0,0,0,0|2,0,0]=4 13533 B13R0.335 CCCOCCNCC(=O)OC(C)C 2230a_100161115042_100011215430 [0,2,0,0,0,0|2,0,0]=4 13534 B13R0.335 CCCOCCNCC(=O)OC(C)C 34a_100161115042_100011215430 [0,2,0,0,0,0|2,0,0]=4 13535 B13R0.335 CCCOCCOCC(=O)OC(C)C 34a_100000752267_100011215430 [0,2,0,0,0,0|2,0,0]=4 13536 B13R0.335 CCCOCCOCC(=O)OC(C)C 7a_100000752267_100011215430 [0,2,0,0,0,0|2,0,0]=4 13537 B13R0.335 CCCOCCSCC(=O)OC(C)C 62a_100011215430_100011215938 [0,2,0,0,0,0|2,0,0]=4 13538 B13R0.335 CCCOCCSCC(=O)OC(C)C 62a_100011215938_100011215430 [0,2,0,0,0,0|2,0,0]=4 13539 B13R0.335 CCCSCCNCC(=O)OC(C)C 2230a_100020603323_100011215430 [0,2,0,0,0,0|2,0,0]=4 13540 B13R0.335 CCCSCCOCC(=O)OC(C)C 34a_200000230433_100011215430 [0,2,0,0,0,0|2,0,0]=4 13541 B13R0.335 CCCSCCOCC(=O)OC(C)C 7a_200000230433_100011215430 [0,2,0,0,0,0|2,0,0]=4 13542 B13R0.335 CCNCCCCCC(=O)OC(C)C 2230a_100015525214_200010986244 [0,2,0,0,0,0|1,0,0]=3 13543 B13R0.335 CCOCCCCCC(=O)OC(C)C 34a_100121572206_200010986244 [0,2,0,0,0,0|1,0,0]=3 13544 B13R0.335 CCOCCCNCC(=O)OC(C)C 2230a_100000210961_100011215430 [0,2,0,0,0,0|2,0,0]=4 13545 B13R0.335 CCOCCCNCC(=O)OC(C)C 34a_100000210961_100011215430 [0,2,0,0,0,0|2,0,0]=4 13546 B13R0.335 CCOCCCOCC(=O)OC(C)C 34a_100000757476_100011215430 [0,2,0,0,0,0|2,0,0]=4 13547 B13R0.335 CCOCCCOCC(=O)OC(C)C 7a_100000757476_100011215430 [0,2,0,0,0,0|2,0,0]=4 13548 B13R0.335 CCOCCCSCC(=O)OC(C)C 62a_100011215430_100012232248 [0,2,0,0,0,0|2,0,0]=4 13549 B13R0.335 CCOCCCSCC(=O)OC(C)C 62a_100012232248_100011215430 [0,2,0,0,0,0|2,0,0]=4 13550 B13R0.335 CCOCCNCCC(=O)OC(C)C 2230a_102516460346_100000760027 [0,2,0,0,0,0|2,0,0]=4 13551 B13R0.335 CCOCCOCCC(=O)OC(C)C 7a_100000210136_100000760027 [0,2,0,0,0,0|2,0,0]=4 13552 B13R0.335 CCOCCSCCC(=O)OC(C)C 62a_100000210147_100000760027 [0,2,0,0,0,0|2,0,0]=4 13553 B13R0.335 CCOCCSCCC(=O)OC(C)C 62a_100000760027_100011215890 [0,2,0,0,0,0|2,0,0]=4 13554 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_100000210202_200010986244 [0,2,0,0,0,0|1,0,0]=3 13555 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210202 [0,2,0,0,0,0|1,0,0]=3 13556 B13R0.335 CCSCCCOCC(=O)OC(C)C 34a_100011216438_100011215430 [0,2,0,0,0,0|2,0,0]=4 13557 B13R0.335 CCSCCCOCC(=O)OC(C)C 7a_100011216438_100011215430 [0,2,0,0,0,0|2,0,0]=4 13558 B13R0.335 CCSCCNCCC(=O)OC(C)C 2230a_100000106463_100000760027 [0,2,0,0,0,0|2,0,0]=4 13559 B13R0.335 CCSCCOCCC(=O)OC(C)C 7a_100000212035_100000760027 [0,2,0,0,0,0|2,0,0]=4 13560 B13R0.335 CCSCCSCCC(=O)OC(C)C 62a_100000757381_100000760027 [0,2,0,0,0,0|2,0,0]=4 13561 B13R0.335 CCSCCSCCC(=O)OC(C)C 62a_100000760027_100000757381 [0,2,0,0,0,0|2,0,0]=4 13562 B13R0.335 CN(C)CC(=O)CCCCCCCO 1458a_100000750896_100000760002 [0,2,0,0,0,0|2,0,0]=4 13563 B13R0.335 COCCCCCCC(=O)C=C(C)C 1458a_100000211388_100011998445 [0,2,0,0,0,0|2,0,0]=4 13564 B13R0.335 COCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011998445 [0,2,0,0,0,0|2,0,0]=4 13565 B13R0.335 COCCCCCCC(=O)C=C(C)I 1458a_100025716642_100011998445 [0,2,0,0,0,0|2,0,0]=4 13566 B13R0.335 COCCCCCCC(=O)CC(C)C 1458a_100000210554_100011998445 [0,2,0,0,0,0|2,0,0]=4 13567 B13R0.335 COCCCCCCC(=O)CN(C)C 1458a_100000750896_100011998445 [0,2,0,0,0,0|2,0,0]=4 13568 B13R0.335 COCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011998445 [0,2,0,0,0,0|2,0,0]=4 13569 B13R0.335 COCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100011998445 [0,2,0,0,0,0|1,1,0]=4 13570 B13R0.335 COCCCCOCC(=O)OC(C)C 34a_100000740925_100011215430 [0,2,0,0,0,0|2,0,0]=4 13571 B13R0.335 COCCCCSCC(=O)OC(C)C 62a_100000730899_100011215430 [0,2,0,0,0,0|2,0,0]=4 13572 B13R0.335 COCCCCSCC(=O)OC(C)C 62a_100011215430_100000730899 [0,2,0,0,0,0|2,0,0]=4 13573 B13R0.335 COCCCSCCC(=O)OC(C)C 62a_100000709357_100000760027 [0,2,0,0,0,0|2,0,0]=4 13574 B13R0.335 COCCCSCCC(=O)OC(C)C 62a_100000760027_100000709357 [0,2,0,0,0,0|2,0,0]=4 13575 B13R0.335 CSCCCCOCC(=O)OC(C)C 34a_100011217163_100011215430 [0,2,0,0,0,0|2,0,0]=4 13576 B13R0.335 CSCCCCOCC(=O)OC(C)C 7a_100011217163_100011215430 [0,2,0,0,0,0|2,0,0]=4 13577 B13R0.335 CSCCCNCCC(=O)OC(C)C 2230a_100000749238_100000760027 [0,2,0,0,0,0|2,0,0]=4 13578 B13R0.335 CSCCCOCCC(=O)OC(C)C 7a_100000690336_100000760027 [0,2,0,0,0,0|2,0,0]=4 13579 B13R0.335 C[C@@H](O)CC(=O)CCCCCCCO 1458a_100011933948_100000760002 [0,2,0,0,0,0|2,0,0]=4 13580 B13R0.335 C[S+](C)CC(=O)CCCCCCCO 1458a_200159257847_100000760002 [0,2,0,0,0,0|1,1,0]=4 13581 B13R0.335 O=C(CCCCCCCO)CC(F)F 1458a_100011219782_100011934356 [0,2,0,0,0,0|2,0,0]=4 13582 B13R0.340 C#CC(C)C(=O)CCCCCCCC 1458a_100000210188_200000035995 [0,2,0,0,0,0|1,0,0]=3 13583 B13R0.340 C#CC(C)C(=O)CCCCCCCO 1458a_100011219782_200000035995 [0,2,0,0,0,0|2,0,0]=4 13584 B13R0.340 C#CCCCCCCC(=O)C(C)OC 1458a_100000743197_100012276617 [0,2,0,0,0,0|0,0,2]=4 13585 B13R0.340 C#CCCCCCOC(C)C(=O)OC 34a_100000766912_100000211248 [0,2,0,0,0,0|0,0,2]=4 13586 B13R0.340 C#CCCCCCOC(C)C(=O)OC 34a_100011215400_100012094781 [0,2,0,0,0,0|0,0,2]=4 13587 B13R0.340 C#CCCCCCOC(C)C(=O)OC 7a_100000766912_100000211248 [0,2,0,0,0,0|0,0,2]=4 13588 B13R0.340 C#CCCCCCSC(C)C(=O)OC 62a_100000211248_100012094781 [0,2,0,0,0,0|0,0,2]=4 13589 B13R0.340 C#CCCCCCSC(C)C(=O)OC 62a_100012094781_100000211248 [0,2,0,0,0,0|0,0,2]=4 13590 B13R0.340 C#CCCCCNCC(C)C(=O)OC 34a_100000706060_100000698445 [0,2,0,0,0,0|0,0,2]=4 13591 B13R0.340 C#CCCCCOCC(C)C(=O)OC 34a_100000749362_100010269958 [0,2,0,0,0,0|0,0,2]=4 13592 B13R0.340 C#CCCCCOCC(C)C(=O)OC 34a_100000766709_100000698445 [0,2,0,0,0,0|0,0,2]=4 13593 B13R0.340 C#CCCCCOCC(C)C(=O)OC 7a_100000749362_100010269958 [0,2,0,0,0,0|0,0,2]=4 13594 B13R0.340 C#CCCCCOCC(F)C(=O)OC 34a_200009849844_100010269958 [0,2,0,0,0,0|0,0,2]=4 13595 B13R0.340 C#CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100010269958 [0,2,0,0,0,0|0,0,2]=4 13596 B13R0.340 C#CCCCCSCC(C)C(=O)OC 62a_100000698445_100010269958 [0,2,0,0,0,0|0,0,2]=4 13597 B13R0.340 C#CCCCCSCC(C)C(=O)OC 62a_100010269958_100000698445 [0,2,0,0,0,0|0,0,2]=4 13598 B13R0.340 C#CCCCNCCC(C)C(=O)OC 34a_100000718082_100000034942 [0,2,0,0,0,0|0,0,2]=4 13599 B13R0.340 C#CCCCOCCC(C)C(=O)OC 34a_100000215630_100000034942 [0,2,0,0,0,0|0,0,2]=4 13600 B13R0.340 C#CCCCOCCC(C)C(=O)OC 7a_100000215630_100000034942 [0,2,0,0,0,0|0,0,2]=4 13601 B13R0.340 C#CCCCSCCC(C)C(=O)OC 62a_100000034942_100011215417 [0,2,0,0,0,0|0,0,2]=4 13602 B13R0.340 C#CCCCSCCC(C)C(=O)OC 62a_100011215417_100000034942 [0,2,0,0,0,0|0,0,2]=4 13603 B13R0.340 C/C=C(\C)/C(=O)CCCCCCCC 1458a_100020587367_100000210759 [0,2,0,0,0,0|1,0,0]=3 13604 B13R0.340 C/C=C(\C)/C(=O)CCCCCCCO 1458a_100020587367_100000760002 [0,2,0,0,0,0|2,0,0]=4 13605 B13R0.340 C/C=C(\C)/C(=O)CCCCCCOC 1458a_100020587367_100011998445 [0,2,0,0,0,0|2,0,0]=4 13606 B13R0.340 C/C=C(\C)/C(=O)NCCCCCCC 11a_100000229938_100020587367 [0,2,0,0,0,0|2,0,0]=4 13607 B13R0.340 C/C=C(\C)/C(=O)NCCCCCCC 1626a_100000229938_100020587367 [0,2,0,0,0,0|2,0,0]=4 13608 B13R0.340 C/C=C(\C)/C(C)NCCCCCCC 269862a_100000229938_100020675665 [0,2,0,0,0,0|2,0,0]=4 13609 B13R0.340 C/C=C/CCOCCC(C)C(=O)OC 34a_100016278192_100000034942 [0,2,0,0,0,0|0,0,2]=4 13610 B13R0.340 C=C(CNCCCCCO)C(=O)OC 34a_100000762737_100009813391 [0,2,0,0,0,0|1,0,1]=4 13611 B13R0.340 C=C(CNCCCOCC)C(=O)OC 34a_100000210961_100009813391 [0,2,0,0,0,0|1,0,1]=4 13612 B13R0.340 C=C(CNCCOCCC)C(=O)OC 34a_100161115042_100009813391 [0,2,0,0,0,0|1,0,1]=4 13613 B13R0.340 C=C(COCCCCCBr)C(=O)OC 34a_100000746331_100009813391 [0,2,0,0,0,0|1,0,1]=4 13614 B13R0.340 C=C(COCCCCCC)C(=O)OC 34a_100000210259_100009813391 [0,2,0,0,0,0|0,0,1]=3 13615 B13R0.340 C=C(COCCCCCCl)C(=O)OC 34a_100000746330_100009813391 [0,2,0,0,0,0|1,0,1]=4 13616 B13R0.340 C=C(COCCCCCI)C(=O)OC 34a_200012148887_100009813391 [0,2,0,0,0,0|1,0,1]=4 13617 B13R0.340 C=C(COCCCCCN)C(=O)OC 34a_100000762737_100009813391 [0,2,0,0,0,0|1,0,1]=4 13618 B13R0.340 C=C(COCCCCOC)C(=O)OC 34a_100000740925_100009813391 [0,2,0,0,0,0|1,0,1]=4 13619 B13R0.340 C=C(COCCCCSC)C(=O)OC 34a_100011217163_100009813391 [0,2,0,0,0,0|1,0,1]=4 13620 B13R0.340 C=C(COCCCOCC)C(=O)OC 34a_100000757476_100009813391 [0,2,0,0,0,0|1,0,1]=4 13621 B13R0.340 C=C(COCCCSCC)C(=O)OC 34a_100011216438_100009813391 [0,2,0,0,0,0|1,0,1]=4 13622 B13R0.340 C=C(COCCOCCC)C(=O)OC 34a_100000752267_100009813391 [0,2,0,0,0,0|1,0,1]=4 13623 B13R0.340 C=C(COCCSCCC)C(=O)OC 34a_200000230433_100009813391 [0,2,0,0,0,0|1,0,1]=4 13624 B13R0.340 C=C(CSCCCCCC)C(=O)OC 62a_100000210314_100009813391 [0,2,0,0,0,0|0,0,1]=3 13625 B13R0.340 C=C(CSCCCCCC)C(=O)OC 62a_100009813391_100000210757 [0,2,0,0,0,0|0,0,1]=3 13626 B13R0.340 C=C(CSCCCCCF)C(=O)OC 62a_100000729378_100009813391 [0,2,0,0,0,0|1,0,1]=4 13627 B13R0.340 C=C(CSCCCCCF)C(=O)OC 62a_100009813391_100000729378 [0,2,0,0,0,0|1,0,1]=4 13628 B13R0.340 C=C(CSCCCCCO)C(=O)OC 62a_100000746330_100009813391 [0,2,0,0,0,0|1,0,1]=4 13629 B13R0.340 C=C(CSCCCCCO)C(=O)OC 62a_100009813391_100000746330 [0,2,0,0,0,0|1,0,1]=4 13630 B13R0.340 C=C(CSCCCCOC)C(=O)OC 62a_100000730899_100009813391 [0,2,0,0,0,0|1,0,1]=4 13631 B13R0.340 C=C(CSCCCCOC)C(=O)OC 62a_100009813391_100000730899 [0,2,0,0,0,0|1,0,1]=4 13632 B13R0.340 C=C(CSCCCOCC)C(=O)OC 62a_100009813391_100012232248 [0,2,0,0,0,0|1,0,1]=4 13633 B13R0.340 C=C(CSCCCOCC)C(=O)OC 62a_100012232248_100009813391 [0,2,0,0,0,0|1,0,1]=4 13634 B13R0.340 C=C(CSCCOCCC)C(=O)OC 62a_100009813391_100011215938 [0,2,0,0,0,0|1,0,1]=4 13635 B13R0.340 C=C(CSCCOCCC)C(=O)OC 62a_100011215938_100009813391 [0,2,0,0,0,0|1,0,1]=4 13636 B13R0.340 C=C(CSCOCCCC)C(=O)OC 62a_100009813391_100011995733 [0,2,0,0,0,0|1,0,1]=4 13637 B13R0.340 C=C(CSCOCCCC)C(=O)OC 62a_100011995733_100009813391 [0,2,0,0,0,0|1,0,1]=4 13638 B13R0.340 C=CC(=O)N(C)CCCCCCCC 1626a_100000207567_100000185746 [0,2,0,0,0,0|1,0,1]=4 13639 B13R0.340 C=CC(=O)N(C)CCCCCCCC 240690a_100000207567_200121576911 [0,2,0,0,0,0|1,0,1]=4 13640 B13R0.340 C=CC(C)C(=O)CCCCCCCC 1458a_100011216780_100000210759 [0,2,0,0,0,0|1,0,0]=3 13641 B13R0.340 C=CC(C)C(=O)CCCCCCCO 1458a_100011216780_100000760002 [0,2,0,0,0,0|2,0,0]=4 13642 B13R0.340 C=CC(C)C(=O)CCCCCCOC 1458a_100011216780_100011998445 [0,2,0,0,0,0|2,0,0]=4 13643 B13R0.340 C=CC(C)C(=O)NCCCCCCC 11a_100000229938_100011216780 [0,2,0,0,0,0|2,0,0]=4 13644 B13R0.340 C=CC(C)C(=O)NCCCCCCC 1626a_100000229938_100011216780 [0,2,0,0,0,0|2,0,0]=4 13645 B13R0.340 C=CC(C)C(=O)NCCCCCCC 240690a_100000229938_100011216780 [0,2,0,0,0,0|2,0,0]=4 13646 B13R0.340 C=CC(C)C(=O)NCCCCCCC 527a_100000229938_100011216780 [0,2,0,0,0,0|2,0,0]=4 13647 B13R0.340 C=CCCCCCCC(=O)C(C)OC 1458a_100000743197_100011215473 [0,2,0,0,0,0|0,0,2]=4 13648 B13R0.340 C=CCCCCCOC(C)C(=O)OC 34a_100011215400_100000700193 [0,2,0,0,0,0|0,0,2]=4 13649 B13R0.340 C=CCCCCCOC(C)C(=O)OC 34a_100011216702_100000211248 [0,2,0,0,0,0|0,0,2]=4 13650 B13R0.340 C=CCCCCCOC(C)C(=O)OC 7a_100011216702_100000211248 [0,2,0,0,0,0|0,0,2]=4 13651 B13R0.340 C=CCCCCCSC(C)C(=O)OC 62a_100000211248_100000700193 [0,2,0,0,0,0|0,0,2]=4 13652 B13R0.340 C=CCCCCCSC(C)C(=O)OC 62a_100000700193_100000211248 [0,2,0,0,0,0|0,0,2]=4 13653 B13R0.340 C=CCCCCNCC(C)C(=O)OC 34a_100000703577_100000698445 [0,2,0,0,0,0|0,0,2]=4 13654 B13R0.340 C=CCCCCOCC(C)C(=O)OC 34a_100000749362_100011215482 [0,2,0,0,0,0|0,0,2]=4 13655 B13R0.340 C=CCCCCOCC(C)C(=O)OC 34a_100000766645_100000698445 [0,2,0,0,0,0|0,0,2]=4 13656 B13R0.340 C=CCCCCOCC(C)C(=O)OC 7a_100000749362_100011215482 [0,2,0,0,0,0|0,0,2]=4 13657 B13R0.340 C=CCCCCOCC(F)C(=O)OC 34a_200009849844_100011215482 [0,2,0,0,0,0|0,0,2]=4 13658 B13R0.340 C=CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011215482 [0,2,0,0,0,0|0,0,2]=4 13659 B13R0.340 C=CCCCCSCC(C)C(=O)OC 62a_100000698445_100011215482 [0,2,0,0,0,0|0,0,2]=4 13660 B13R0.340 C=CCCCCSCC(C)C(=O)OC 62a_100011215482_100000698445 [0,2,0,0,0,0|0,0,2]=4 13661 B13R0.340 C=CCCCNCCC(C)C(=O)OC 2230a_100000700776_100000034942 [0,2,0,0,0,0|0,0,2]=4 13662 B13R0.340 C=CCCCNCCC(C)C(=O)OC 34a_100000700776_100000034942 [0,2,0,0,0,0|0,0,2]=4 13663 B13R0.340 C=CCCCOCCC(C)C(=O)OC 34a_100000758997_100000034942 [0,2,0,0,0,0|0,0,2]=4 13664 B13R0.340 C=CCCCOCCC(C)C(=O)OC 7a_100000758997_100000034942 [0,2,0,0,0,0|0,0,2]=4 13665 B13R0.340 C=CCCCSCCC(C)C(=O)OC 62a_100000034942_100000757094 [0,2,0,0,0,0|0,0,2]=4 13666 B13R0.340 C=CCCCSCCC(C)C(=O)OC 62a_100011713584_100000034942 [0,2,0,0,0,0|0,0,2]=4 13667 B13R0.340 CC#CCCOCCC(C)C(=O)OC 34a_100000750427_100000034942 [0,2,0,0,0,0|0,0,2]=4 13668 B13R0.340 CC(C#N)C(=O)CCCCCCCO 1458a_100000753662_100000760002 [0,2,0,0,0,0|2,0,0]=4 13669 B13R0.340 CC(C#N)C(=O)CCCCCCCO 1458a_100011219782_100000703298 [0,2,0,0,0,0|2,0,0]=4 13670 B13R0.340 CC/C=C/CCCOC(C)C(=O)OC 34a_100016287902_100000211248 [0,2,0,0,0,0|0,0,2]=4 13671 B13R0.340 CC/C=C/CCCOC(C)C(=O)OC 7a_100016287902_100000211248 [0,2,0,0,0,0|0,0,2]=4 13672 B13R0.340 CC/C=C\CCOCC(C)C(=O)OC 34a_100000749362_100015370543 [0,2,0,0,0,0|0,0,2]=4 13673 B13R0.340 CC/C=C\CCOCC(C)C(=O)OC 34a_100016288707_100000698445 [0,2,0,0,0,0|0,0,2]=4 13674 B13R0.340 CC/C=C\CCOCC(C)C(=O)OC 7a_100000749362_100015370543 [0,2,0,0,0,0|0,0,2]=4 13675 B13R0.340 CC/C=C\CCOCC(F)C(=O)OC 34a_200009849844_100015370543 [0,2,0,0,0,0|0,0,2]=4 13676 B13R0.340 CC/C=C\CCOC[C@@H](N)C(=O)OC 34a_100000003586_100015370543 [0,2,0,0,0,0|0,0,2]=4 13677 B13R0.340 CC/C=C\CCSCC(C)C(=O)OC 62a_100000698445_100015370543 [0,2,0,0,0,0|0,0,2]=4 13678 B13R0.340 CC/C=C\CCSCC(C)C(=O)OC 62a_100015370543_100000698445 [0,2,0,0,0,0|0,0,2]=4 13679 B13R0.340 CC/C=C\COCCC(C)C(=O)OC 34a_100016268518_100000034942 [0,2,0,0,0,0|0,0,2]=4 13680 B13R0.340 CC/C=C\CSCCC(C)C(=O)OC 62a_100000034942_100103147603 [0,2,0,0,0,0|0,0,2]=4 13681 B13R0.340 CC/C=C\CSCCC(C)C(=O)OC 62a_100103147603_100000034942 [0,2,0,0,0,0|0,0,2]=4 13682 B13R0.340 CC=CCCCOCC(C)C(=O)OC 34a_100020645299_100000698445 [0,2,0,0,0,0|0,0,2]=4 13683 B13R0.340 CCC#CCCOCC(C)C(=O)OC 34a_100000036655_100000698445 [0,2,0,0,0,0|0,0,2]=4 13684 B13R0.340 CCC#CCOCCC(C)C(=O)OC 34a_100000032950_100000034942 [0,2,0,0,0,0|0,0,2]=4 13685 B13R0.340 CCC#CCSCCC(C)C(=O)OC 62a_100000034942_100009813939 [0,2,0,0,0,0|0,0,2]=4 13686 B13R0.340 CCC#CCSCCC(C)C(=O)OC 62a_100009813939_100000034942 [0,2,0,0,0,0|0,0,2]=4 13687 B13R0.340 CCC(=O)C(C)NCCCCCCO 2230a_100000686447_100000742827 [0,2,0,0,0,0|2,0,0]=4 13688 B13R0.340 CCC(=O)C(C)NCCCCCOC 2230a_100000747528_100000742827 [0,2,0,0,0,0|2,0,0]=4 13689 B13R0.340 CCC(=O)C(C)OCCCCCCBr 7a_100011215345_100000742827 [0,2,0,0,0,0|2,0,0]=4 13690 B13R0.340 CCC(=O)C(C)OCCCCCCCl 7a_100000766143_100000742827 [0,2,0,0,0,0|2,0,0]=4 13691 B13R0.340 CCC(=O)C(C)OCCCCCCF 7a_100000732779_100000742827 [0,2,0,0,0,0|2,0,0]=4 13692 B13R0.340 CCC(=O)C(C)SCCCCCCF 62a_100000742827_100015922095 [0,2,0,0,0,0|2,0,0]=4 13693 B13R0.340 CCC(=O)C(C)SCCCCCCF 62a_100015922095_100000742827 [0,2,0,0,0,0|2,0,0]=4 13694 B13R0.340 CCC(=O)C(C)SCCCCCCO 62a_100000742827_100000766143 [0,2,0,0,0,0|2,0,0]=4 13695 B13R0.340 CCC(=O)C(C)SCCCCCCO 62a_100000766143_100000742827 [0,2,0,0,0,0|2,0,0]=4 13696 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011192722_100000760002 [0,2,0,0,0,0|2,0,0]=4 13697 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011219782_100000758301 [0,2,0,0,0,0|2,0,0]=4 13698 B13R0.340 CCC(C)C(=O)CCCCCCOC 1458a_100011192722_100011998445 [0,2,0,0,0,0|2,0,0]=4 13699 B13R0.340 CCC(O)C(=O)CCCCCCCO 1458a_100011196387_100000760002 [0,2,0,0,0,0|2,0,0]=4 13700 B13R0.340 CCC(O)C(=O)CCCCCCOC 1458a_100011196387_100011998445 [0,2,0,0,0,0|2,0,0]=4 13701 B13R0.340 CCC/C=C/COCC(C)C(=O)OC 34a_100016278788_100000698445 [0,2,0,0,0,0|0,0,2]=4 13702 B13R0.340 CCCC#CCCOC(C)C(=O)OC 34a_100000042726_100000211248 [0,2,0,0,0,0|0,0,2]=4 13703 B13R0.340 CCCC#CCCOC(C)C(=O)OC 7a_100000042726_100000211248 [0,2,0,0,0,0|0,0,2]=4 13704 B13R0.340 CCCC#CCOCC(C)C(=O)OC 34a_100000034806_100000698445 [0,2,0,0,0,0|0,0,2]=4 13705 B13R0.340 CCCC/C=C/COC(C)C(=O)OC 34a_200016272032_100000211248 [0,2,0,0,0,0|0,0,2]=4 13706 B13R0.340 CCCC/C=C/COC(C)C(=O)OC 7a_200016272032_100000211248 [0,2,0,0,0,0|0,0,2]=4 13707 B13R0.340 CCCCC#CCOC(C)C(=O)OC 34a_200000034558_100000211248 [0,2,0,0,0,0|0,0,2]=4 13708 B13R0.340 CCCCC#CCOC(C)C(=O)OC 7a_200000034558_100000211248 [0,2,0,0,0,0|0,0,2]=4 13709 B13R0.340 CCCCCC#CCC(=O)C(C)OC 1458a_100000743197_100009816472 [0,2,0,0,0,0|0,0,2]=4 13710 B13R0.340 CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210759 [0,2,0,0,0,0|1,0,0]=3 13711 B13R0.340 CCCCCCCCC(=O)C(C)C#N 1458a_100000210188_100000703298 [0,2,0,0,0,0|1,0,0]=3 13712 B13R0.340 CCCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210759 [0,2,0,0,0,0|1,0,0]=3 13713 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100000210188_100000758301 [0,2,0,0,0,0|1,0,0]=3 13714 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210759 [0,2,0,0,0,0|1,0,0]=3 13715 B13R0.340 CCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210759 [0,2,0,0,0,0|0,0,0]=2 13716 B13R0.340 CCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210759 [0,2,0,0,0,0|0,1,0]=3 13717 B13R0.340 CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210759 [0,2,0,0,0,0|1,0,0]=3 13718 B13R0.340 CCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210759 [0,2,0,0,0,0|1,0,0]=3 13719 B13R0.340 CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210188 [0,2,0,0,0,0|1,0,0]=3 13720 B13R0.340 CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210188 [0,2,0,0,0,0|1,0,0]=3 13721 B13R0.340 CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210188 [0,2,0,0,0,0|1,0,0]=3 13722 B13R0.340 CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210188 [0,2,0,0,0,0|1,0,0]=3 13723 B13R0.340 CCCCCCCCC(O)C(=O)CC 1458a_200011995895_100000210202 [0,2,0,0,0,0|1,0,0]=3 13724 B13R0.340 CCCCCCCCC(O)C(=O)CF 1458a_200011995895_100015361967 [0,2,0,0,0,0|2,0,0]=4 13725 B13R0.340 CCCCCCCCC(O)C(=O)NC 240690a_100102657272_200011995895 [0,2,0,0,0,0|1,0,0]=3 13726 B13R0.340 CCCCCCCCN(C)C(=O)CC 11a_100000207567_100000210414 [0,2,0,0,0,0|1,0,0]=3 13727 B13R0.340 CCCCCCCCN(C)C(=O)CC 1626a_100000207567_100000210414 [0,2,0,0,0,0|1,0,0]=3 13728 B13R0.340 CCCCCCCCN(C)C(=O)CC 240690a_100000207567_100000210414 [0,2,0,0,0,0|1,0,0]=3 13729 B13R0.340 CCCCCCCCN(C)C(=O)CC 527a_100000207567_100000210414 [0,2,0,0,0,0|1,0,0]=3 13730 B13R0.340 CCCCCCCCN(C)C(=O)CO 240690a_100000207567_100000210174 [0,2,0,0,0,0|2,0,0]=4 13731 B13R0.340 CCCCCCCCN(C)C(=O)CO 527a_100000207567_100000210174 [0,2,0,0,0,0|2,0,0]=4 13732 B13R0.340 CCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000207567 [0,2,0,0,0,0|1,0,0]=3 13733 B13R0.340 CCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000207567 [0,2,0,0,0,0|1,0,0]=3 13734 B13R0.340 CCCCCCCCN(C)C(C)OC 269982a_100000207567_100009879195 [0,2,0,0,0,0|1,0,1]=4 13735 B13R0.340 CCCCCCCNC(=O)C(=O)NC 1626a_100000229938_100011218921 [0,2,0,0,0,0|1,0,1]=4 13736 B13R0.340 CCCCCCCNC(=O)C(=O)NC 240690a_100000229938_100011218921 [0,2,0,0,0,0|1,0,1]=4 13737 B13R0.340 CCCCCCCNC(=O)C(=O)NC 527a_100000229938_100011218921 [0,2,0,0,0,0|1,0,1]=4 13738 B13R0.340 CCCCCCCNC(=O)C(=O)OC 11a_100000229938_100000024059 [0,2,0,0,0,0|0,0,1]=3 13739 B13R0.340 CCCCCCCNC(=O)C(=O)OC 1626a_100000229938_100000024059 [0,2,0,0,0,0|0,0,1]=3 13740 B13R0.340 CCCCCCCNC(=O)C(=O)OC 240690a_100000229938_100000024059 [0,2,0,0,0,0|0,0,1]=3 13741 B13R0.340 CCCCCCCNC(=O)C(=O)OC 527a_100000229938_100000024059 [0,2,0,0,0,0|0,0,1]=3 13742 B13R0.340 CCCCCCCNC(=O)C(C)C#N 11a_100000229938_100000753662 [0,2,0,0,0,0|2,0,0]=4 13743 B13R0.340 CCCCCCCNC(=O)C(C)C#N 1626a_100000229938_100000753662 [0,2,0,0,0,0|2,0,0]=4 13744 B13R0.340 CCCCCCCNC(=O)C(C)C#N 240690a_100000229938_100000753662 [0,2,0,0,0,0|2,0,0]=4 13745 B13R0.340 CCCCCCCNC(=O)C(C)C#N 527a_100000229938_100000753662 [0,2,0,0,0,0|2,0,0]=4 13746 B13R0.340 CCCCCCCNC(=O)C(C)CC 11a_100000229938_100011192722 [0,2,0,0,0,0|2,0,0]=4 13747 B13R0.340 CCCCCCCNC(=O)C(C)CC 1626a_100000229938_100011192722 [0,2,0,0,0,0|2,0,0]=4 13748 B13R0.340 CCCCCCCNC(=O)C(C)CC 240690a_100000229938_100011192722 [0,2,0,0,0,0|2,0,0]=4 13749 B13R0.340 CCCCCCCNC(=O)C(C)CC 527a_100000229938_100011192722 [0,2,0,0,0,0|2,0,0]=4 13750 B13R0.340 CCCCCCCNC(=O)C(C)OC 11a_100000229938_100000743197 [0,2,0,0,0,0|1,0,0]=3 13751 B13R0.340 CCCCCCCNC(=O)C(C)OC 1626a_100000229938_100000743197 [0,2,0,0,0,0|1,0,0]=3 13752 B13R0.340 CCCCCCCNC(=O)C(C)OC 240690a_100000229938_100000743197 [0,2,0,0,0,0|1,0,0]=3 13753 B13R0.340 CCCCCCCNC(=O)C(C)OC 527a_100000229938_100000743197 [0,2,0,0,0,0|1,0,0]=3 13754 B13R0.340 CCCCCCCNC(=O)C(C)SC 11a_100000229938_100000149566 [0,2,0,0,0,0|1,1,0]=4 13755 B13R0.340 CCCCCCCNC(=O)C(C)SC 1626a_100000229938_100000149566 [0,2,0,0,0,0|1,1,0]=4 13756 B13R0.340 CCCCCCCNC(=O)C(C)SC 240690a_100000229938_100000149566 [0,2,0,0,0,0|1,1,0]=4 13757 B13R0.340 CCCCCCCNC(=O)C(C)SC 527a_100000229938_100000149566 [0,2,0,0,0,0|1,1,0]=4 13758 B13R0.340 CCCCCCCNC(=O)C(O)CC 240690a_100000229938_100011196387 [0,2,0,0,0,0|2,0,0]=4 13759 B13R0.340 CCCCCCCNC(=O)C(O)CO 240690a_100000229938_100011215603 [0,2,0,0,0,0|2,0,0]=4 13760 B13R0.340 CCCCCCCNC(=O)N(C)CC 2708a_100000229938_100000225621 [0,2,0,0,0,0|2,0,0]=4 13761 B13R0.340 CCCCCCCNC(=O)N(C)CC 273464a_100000229938_100000225621 [0,2,0,0,0,0|2,0,0]=4 13762 B13R0.340 CCCCCCCNC(C)C(=O)CC 2230a_100000229938_100000742827 [0,2,0,0,0,0|1,0,0]=3 13763 B13R0.340 CCCCCCCNC(C)C(=O)NC 2230a_100000229938_100000731044 [0,2,0,0,0,0|1,0,0]=3 13764 B13R0.340 CCCCCCCNC(C)C(=O)OC 2230a_100000229938_100000211248 [0,2,0,0,0,0|0,0,0]=2 13765 B13R0.340 CCCCCCCNC(F)C(=O)NC 2230a_100000229938_100009813575 [0,2,0,0,0,0|1,0,0]=3 13766 B13R0.340 CCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210681 [0,2,0,0,0,0|1,0,0]=3 13767 B13R0.340 CCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210614 [0,2,0,0,0,0|1,0,0]=3 13768 B13R0.340 CCCCCCCOC(C)C(=O)CC 7a_100000210272_100000742827 [0,2,0,0,0,0|1,0,0]=3 13769 B13R0.340 CCCCCCCOC(C)C(=O)NC 34a_100000210272_100000731044 [0,2,0,0,0,0|1,0,0]=3 13770 B13R0.340 CCCCCCCOC(C)C(=O)NC 7a_100000210272_100000209862 [0,2,0,0,0,0|1,0,0]=3 13771 B13R0.340 CCCCCCCOC(C)C(=O)NN 34a_100000725659_100000210614 [0,2,0,0,0,0|2,0,0]=4 13772 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100000210272_100000211248 [0,2,0,0,0,0|0,0,0]=2 13773 B13R0.340 CCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210614 [0,2,0,0,0,0|0,0,0]=2 13774 B13R0.340 CCCCCCCOC(C)C(=O)OC 7a_100000210272_100000211248 [0,2,0,0,0,0|0,0,0]=2 13775 B13R0.340 CCCCCCCOC(F)C(=O)NC 34a_100000210272_100009813575 [0,2,0,0,0,0|1,0,0]=3 13776 B13R0.340 CCCCCCCOC(F)C(=O)NC 7a_100000210272_100009813575 [0,2,0,0,0,0|1,0,0]=3 13777 B13R0.340 CCCCCCCSC(C)C(=O)CC 62a_100000210614_100000742827 [0,2,0,0,0,0|1,0,0]=3 13778 B13R0.340 CCCCCCCSC(C)C(=O)CC 62a_100000742827_100000210316 [0,2,0,0,0,0|1,0,0]=3 13779 B13R0.340 CCCCCCCSC(C)C(=O)NC 62a_100000209862_100000210316 [0,2,0,0,0,0|1,0,0]=3 13780 B13R0.340 CCCCCCCSC(C)C(=O)NC 62a_100000210614_100000731044 [0,2,0,0,0,0|1,0,0]=3 13781 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000210614_100000211248 [0,2,0,0,0,0|0,0,0]=2 13782 B13R0.340 CCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210316 [0,2,0,0,0,0|0,0,0]=2 13783 B13R0.340 CCCCCCCSC(F)C(=O)NC 62a_100000210614_100009813575 [0,2,0,0,0,0|1,0,0]=3 13784 B13R0.340 CCCCCCCSC(F)C(=O)NC 62a_100009813575_100000210316 [0,2,0,0,0,0|1,0,0]=3 13785 B13R0.340 CCCCCCNCC(=O)N(C)CC 2230a_100000210581_100000738999 [0,2,0,0,0,0|2,0,0]=4 13786 B13R0.340 CCCCCCNCC(=O)N(C)OC 2230a_100000210581_100000764215 [0,2,0,0,0,0|1,0,0]=3 13787 B13R0.340 CCCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210314 [0,2,0,0,0,0|1,0,0]=3 13788 B13R0.340 CCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210314 [0,2,0,0,0,0|1,0,0]=3 13789 B13R0.340 CCCCCCNCC(C)C(=O)NC 34a_100015187722_100000210314 [0,2,0,0,0,0|1,0,0]=3 13790 B13R0.340 CCCCCCOCC(=O)C(=O)OC 34a_100000210259_100011610305 [0,2,0,0,0,0|0,0,1]=3 13791 B13R0.340 CCCCCCOCC(=O)N(C)CC 34a_100000210259_100000738999 [0,2,0,0,0,0|2,0,0]=4 13792 B13R0.340 CCCCCCOCC(=O)N(C)CC 7a_100000210259_100000738999 [0,2,0,0,0,0|2,0,0]=4 13793 B13R0.340 CCCCCCOCC(=O)N(C)OC 7a_100000210259_100000764215 [0,2,0,0,0,0|1,0,0]=3 13794 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000210259_100000698445 [0,2,0,0,0,0|0,0,0]=2 13795 B13R0.340 CCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210314 [0,2,0,0,0,0|0,0,0]=2 13796 B13R0.340 CCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210314 [0,2,0,0,0,0|0,0,0]=2 13797 B13R0.340 CCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210314 [0,2,0,0,0,0|0,0,0]=2 13798 B13R0.340 CCCCCCOCC(N)C(=O)NN 34a_100016989258_100000210314 [0,2,0,0,0,0|2,0,0]=4 13799 B13R0.340 CCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210314 [0,2,0,0,0,0|0,0,0]=2 13800 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100000210314_100011610305 [0,2,0,0,0,0|0,0,1]=3 13801 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210757 [0,2,0,0,0,0|0,0,1]=3 13802 B13R0.340 CCCCCCSCC(=O)N(C)CC 62a_100000210314_100000738999 [0,2,0,0,0,0|2,0,0]=4 13803 B13R0.340 CCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210757 [0,2,0,0,0,0|2,0,0]=4 13804 B13R0.340 CCCCCCSCC(=O)N(C)OC 62a_100000210314_100000764215 [0,2,0,0,0,0|1,0,0]=3 13805 B13R0.340 CCCCCCSCC(=O)N(C)OC 62a_100000764215_100000210757 [0,2,0,0,0,0|1,0,0]=3 13806 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000210314_100000698445 [0,2,0,0,0,0|0,0,0]=2 13807 B13R0.340 CCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210757 [0,2,0,0,0,0|0,0,0]=2 13808 B13R0.340 CCCCCNCCC(C)C(=O)OC 2230a_100000209983_100000034942 [0,2,0,0,0,0|0,0,0]=2 13809 B13R0.340 CCCCCOCCC(C)C(=O)OC 34a_100000210253_100000034942 [0,2,0,0,0,0|0,0,0]=2 13810 B13R0.340 CCCCCOCCC(C)C(=O)OC 7a_100000210253_100000034942 [0,2,0,0,0,0|0,0,0]=2 13811 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210326 [0,2,0,0,0,0|0,0,0]=2 13812 B13R0.340 CCCCCSCCC(C)C(=O)OC 62a_100000210326_100000034942 [0,2,0,0,0,0|0,0,0]=2 13813 B13R0.340 CCCCNCCCC(=O)N(C)OC 7a_106832991798_100011842776 [0,2,0,0,0,0|1,0,0]=3 13814 B13R0.340 CCCCOCCCC(=O)N(C)OC 7a_100000210227_100011842776 [0,2,0,0,0,0|1,0,0]=3 13815 B13R0.340 CCCCOCCN[C@H](C)C(=O)NC 2230a_100000684985_100000743108 [0,2,0,0,0,0|2,0,0]=4 13816 B13R0.340 CCCCOCCN[C@H](C)C(=O)NC 34a_100000684985_100000743108 [0,2,0,0,0,0|2,0,0]=4 13817 B13R0.340 CCCCOCCOC(C)C(=O)CC 7a_100000210238_100000742827 [0,2,0,0,0,0|2,0,0]=4 13818 B13R0.340 CCCCOCCOC(C)C(=O)NC 34a_100000210238_100000731044 [0,2,0,0,0,0|2,0,0]=4 13819 B13R0.340 CCCCOCCOC(C)C(=O)NC 7a_100000210238_100000209862 [0,2,0,0,0,0|2,0,0]=4 13820 B13R0.340 CCCCOCCOC(C)C(=O)OC 34a_100000210238_100000211248 [0,2,0,0,0,0|1,0,0]=3 13821 B13R0.340 CCCCOCCOC(C)C(=O)OC 34a_100011215400_100000743108 [0,2,0,0,0,0|1,0,0]=3 13822 B13R0.340 CCCCOCCOC(C)C(=O)OC 7a_100000210238_100000211248 [0,2,0,0,0,0|1,0,0]=3 13823 B13R0.340 CCCCOCCOC(F)C(=O)NC 34a_100000210238_100009813575 [0,2,0,0,0,0|2,0,0]=4 13824 B13R0.340 CCCCOCCOC(F)C(=O)NC 7a_100000210238_100009813575 [0,2,0,0,0,0|2,0,0]=4 13825 B13R0.340 CCCCOCCSC(C)C(=O)CC 62a_100000742827_100000743108 [0,2,0,0,0,0|2,0,0]=4 13826 B13R0.340 CCCCOCCSC(C)C(=O)CC 62a_100000743108_100000742827 [0,2,0,0,0,0|2,0,0]=4 13827 B13R0.340 CCCCOCCSC(C)C(=O)NC 62a_100000209862_100000743108 [0,2,0,0,0,0|2,0,0]=4 13828 B13R0.340 CCCCOCCSC(C)C(=O)NC 62a_100000743108_100000731044 [0,2,0,0,0,0|2,0,0]=4 13829 B13R0.340 CCCCOCCSC(C)C(=O)OC 62a_100000211248_100000743108 [0,2,0,0,0,0|1,0,0]=3 13830 B13R0.340 CCCCOCCSC(C)C(=O)OC 62a_100000743108_100000211248 [0,2,0,0,0,0|1,0,0]=3 13831 B13R0.340 CCCCOCCSC(F)C(=O)NC 62a_100000743108_100009813575 [0,2,0,0,0,0|2,0,0]=4 13832 B13R0.340 CCCCOCCSC(F)C(=O)NC 62a_100009813575_100000743108 [0,2,0,0,0,0|2,0,0]=4 13833 B13R0.340 CCCCOCNCC(=O)N(C)OC 2230a_100015207273_100011995733 [0,2,0,0,0,0|2,0,0]=4 13834 B13R0.340 CCCCOCNCC(C)C(=O)NC 2230a_100015187722_100011995733 [0,2,0,0,0,0|2,0,0]=4 13835 B13R0.340 CCCCOCNCC(C)C(=O)NC 34a_100015187722_100011995733 [0,2,0,0,0,0|2,0,0]=4 13836 B13R0.340 CCCCOCOCC(C)C(=O)OC 34a_100000749362_100011995733 [0,2,0,0,0,0|1,0,0]=3 13837 B13R0.340 CCCCOCOCC(F)C(=O)OC 34a_200009849844_100011995733 [0,2,0,0,0,0|1,0,0]=3 13838 B13R0.340 CCCCOCOC[C@@H](N)C(=O)OC 34a_100000003586_100011995733 [0,2,0,0,0,0|1,0,0]=3 13839 B13R0.340 CCCCOCSCC(=O)C(=O)OC 62a_100011610305_100011995733 [0,2,0,0,0,0|1,0,1]=4 13840 B13R0.340 CCCCOCSCC(=O)C(=O)OC 62a_100011995733_100011610305 [0,2,0,0,0,0|1,0,1]=4 13841 B13R0.340 CCCCOCSCC(=O)N(C)OC 62a_100000764215_100011995733 [0,2,0,0,0,0|2,0,0]=4 13842 B13R0.340 CCCCOCSCC(=O)N(C)OC 62a_100011995733_100000764215 [0,2,0,0,0,0|2,0,0]=4 13843 B13R0.340 CCCCOCSCC(C)C(=O)OC 62a_100000698445_100011995733 [0,2,0,0,0,0|1,0,0]=3 13844 B13R0.340 CCCCOCSCC(C)C(=O)OC 62a_100011995733_100000698445 [0,2,0,0,0,0|1,0,0]=3 13845 B13R0.340 CCCCSCCCC(=O)N(C)OC 62a_100000210211_100011842776 [0,2,0,0,0,0|1,0,0]=3 13846 B13R0.340 CCCCSCCCC(=O)N(C)OC 62a_100011842776_100000210210 [0,2,0,0,0,0|1,0,0]=3 13847 B13R0.340 CCCCSCCNC(=O)C(=O)OC 11a_100025743550_100000024059 [0,2,0,0,0,0|1,0,1]=4 13848 B13R0.340 CCCCSCCNC(=O)C(=O)OC 1626a_100025743550_100000024059 [0,2,0,0,0,0|1,0,1]=4 13849 B13R0.340 CCCCSCCNC(=O)C(=O)OC 240690a_100025743550_100000024059 [0,2,0,0,0,0|1,0,1]=4 13850 B13R0.340 CCCCSCCNC(=O)C(=O)OC 527a_100025743550_100000024059 [0,2,0,0,0,0|1,0,1]=4 13851 B13R0.340 CCCCSCCNC(=O)C(C)OC 11a_100025743550_100000743197 [0,2,0,0,0,0|2,0,0]=4 13852 B13R0.340 CCCCSCCNC(=O)C(C)OC 1626a_100025743550_100000743197 [0,2,0,0,0,0|2,0,0]=4 13853 B13R0.340 CCCCSCCNC(=O)C(C)OC 240690a_100025743550_100000743197 [0,2,0,0,0,0|2,0,0]=4 13854 B13R0.340 CCCCSCCNC(=O)C(C)OC 527a_100025743550_100000743197 [0,2,0,0,0,0|2,0,0]=4 13855 B13R0.340 CCCCSCCNC(C)C(=O)CC 2230a_100025743550_100000742827 [0,2,0,0,0,0|2,0,0]=4 13856 B13R0.340 CCCCSCCNC(C)C(=O)NC 2230a_100025743550_100000731044 [0,2,0,0,0,0|2,0,0]=4 13857 B13R0.340 CCCCSCCNC(C)C(=O)OC 2230a_100025743550_100000211248 [0,2,0,0,0,0|1,0,0]=3 13858 B13R0.340 CCCCSCCNC(F)C(=O)NC 2230a_100025743550_100009813575 [0,2,0,0,0,0|2,0,0]=4 13859 B13R0.340 CCCCSCCOC(C)C(=O)CC 7a_200000230436_100000742827 [0,2,0,0,0,0|2,0,0]=4 13860 B13R0.340 CCCCSCCOC(C)C(=O)NC 34a_200000230436_100000731044 [0,2,0,0,0,0|2,0,0]=4 13861 B13R0.340 CCCCSCCOC(C)C(=O)NC 7a_200000230436_100000209862 [0,2,0,0,0,0|2,0,0]=4 13862 B13R0.340 CCCCSCCOC(C)C(=O)OC 34a_200000230436_100000211248 [0,2,0,0,0,0|1,0,0]=3 13863 B13R0.340 CCCCSCCOC(C)C(=O)OC 7a_200000230436_100000211248 [0,2,0,0,0,0|1,0,0]=3 13864 B13R0.340 CCCCSCCOC(F)C(=O)NC 34a_200000230436_100009813575 [0,2,0,0,0,0|2,0,0]=4 13865 B13R0.340 CCCCSCCOC(F)C(=O)NC 7a_200000230436_100009813575 [0,2,0,0,0,0|2,0,0]=4 13866 B13R0.340 CCCOCCCNC(=O)C(=O)OC 1626a_100011217757_100000024059 [0,2,0,0,0,0|1,0,1]=4 13867 B13R0.340 CCCOCCCNC(=O)C(=O)OC 240690a_100011217757_100000024059 [0,2,0,0,0,0|1,0,1]=4 13868 B13R0.340 CCCOCCCNC(=O)C(=O)OC 527a_100011217757_100000024059 [0,2,0,0,0,0|1,0,1]=4 13869 B13R0.340 CCCOCCCNC(=O)C(C)OC 1626a_100011217757_100000743197 [0,2,0,0,0,0|2,0,0]=4 13870 B13R0.340 CCCOCCCNC(=O)C(C)OC 240690a_100011217757_100000743197 [0,2,0,0,0,0|2,0,0]=4 13871 B13R0.340 CCCOCCCNC(=O)C(C)OC 527a_100011217757_100000743197 [0,2,0,0,0,0|2,0,0]=4 13872 B13R0.340 CCCOCCCNC(C)C(=O)CC 2230a_100011217757_100000742827 [0,2,0,0,0,0|2,0,0]=4 13873 B13R0.340 CCCOCCCNC(C)C(=O)NC 2230a_100011217757_100000731044 [0,2,0,0,0,0|2,0,0]=4 13874 B13R0.340 CCCOCCCNC(C)C(=O)NC 34a_100011217757_100000731044 [0,2,0,0,0,0|2,0,0]=4 13875 B13R0.340 CCCOCCCNC(C)C(=O)OC 2230a_100011217757_100000211248 [0,2,0,0,0,0|1,0,0]=3 13876 B13R0.340 CCCOCCCNC(C)C(=O)OC 34a_100011217757_100000211248 [0,2,0,0,0,0|1,0,0]=3 13877 B13R0.340 CCCOCCCNC(F)C(=O)NC 2230a_100011217757_100009813575 [0,2,0,0,0,0|2,0,0]=4 13878 B13R0.340 CCCOCCCNC(F)C(=O)NC 34a_100011217757_100009813575 [0,2,0,0,0,0|2,0,0]=4 13879 B13R0.340 CCCOCCNCC(=O)C(=O)OC 34a_100161115042_100011610305 [0,2,0,0,0,0|1,0,1]=4 13880 B13R0.340 CCCOCCNCC(=O)N(C)OC 2230a_100015207273_100011215938 [0,2,0,0,0,0|2,0,0]=4 13881 B13R0.340 CCCOCCNCC(=O)N(C)OC 2230a_100161115042_100000764215 [0,2,0,0,0,0|2,0,0]=4 13882 B13R0.340 CCCOCCNCC(C)C(=O)NC 2230a_100015187722_100011215938 [0,2,0,0,0,0|2,0,0]=4 13883 B13R0.340 CCCOCCNCC(C)C(=O)NC 34a_100015187722_100011215938 [0,2,0,0,0,0|2,0,0]=4 13884 B13R0.340 CCCOCCNCC(C)C(=O)OC 34a_100161115042_100000698445 [0,2,0,0,0,0|1,0,0]=3 13885 B13R0.340 CCCOCCOCC(=O)C(=O)OC 34a_100000752267_100011610305 [0,2,0,0,0,0|1,0,1]=4 13886 B13R0.340 CCCOCCOCC(=O)N(C)OC 7a_100000752267_100000764215 [0,2,0,0,0,0|2,0,0]=4 13887 B13R0.340 CCCOCCOCC(C)C(=O)OC 34a_100000749362_100011215938 [0,2,0,0,0,0|1,0,0]=3 13888 B13R0.340 CCCOCCOCC(C)C(=O)OC 34a_100000752267_100000698445 [0,2,0,0,0,0|1,0,0]=3 13889 B13R0.340 CCCOCCOCC(C)C(=O)OC 7a_100000749362_100011215938 [0,2,0,0,0,0|1,0,0]=3 13890 B13R0.340 CCCOCCOCC(F)C(=O)OC 34a_200009849844_100011215938 [0,2,0,0,0,0|1,0,0]=3 13891 B13R0.340 CCCOCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011215938 [0,2,0,0,0,0|1,0,0]=3 13892 B13R0.340 CCCOCCSCC(=O)C(=O)OC 62a_100011215938_100011610305 [0,2,0,0,0,0|1,0,1]=4 13893 B13R0.340 CCCOCCSCC(=O)C(=O)OC 62a_100011610305_100011215938 [0,2,0,0,0,0|1,0,1]=4 13894 B13R0.340 CCCOCCSCC(=O)N(C)OC 62a_100000764215_100011215938 [0,2,0,0,0,0|2,0,0]=4 13895 B13R0.340 CCCOCCSCC(=O)N(C)OC 62a_100011215938_100000764215 [0,2,0,0,0,0|2,0,0]=4 13896 B13R0.340 CCCOCCSCC(C)C(=O)OC 62a_100000698445_100011215938 [0,2,0,0,0,0|1,0,0]=3 13897 B13R0.340 CCCOCCSCC(C)C(=O)OC 62a_100011215938_100000698445 [0,2,0,0,0,0|1,0,0]=3 13898 B13R0.340 CCCSCCNCC(=O)N(C)OC 2230a_100020603323_100000764215 [0,2,0,0,0,0|2,0,0]=4 13899 B13R0.340 CCCSCCOCC(=O)C(=O)OC 34a_200000230433_100011610305 [0,2,0,0,0,0|1,0,1]=4 13900 B13R0.340 CCCSCCOCC(=O)N(C)OC 7a_200000230433_100000764215 [0,2,0,0,0,0|2,0,0]=4 13901 B13R0.340 CCCSCCOCC(C)C(=O)OC 34a_200000230433_100000698445 [0,2,0,0,0,0|1,0,0]=3 13902 B13R0.340 CCN(C)C(=O)CCCCCCCO 240690a_100000225621_100011219782 [0,2,0,0,0,0|2,0,0]=4 13903 B13R0.340 CCOCCCNCC(=O)C(=O)OC 34a_100000210961_100011610305 [0,2,0,0,0,0|1,0,1]=4 13904 B13R0.340 CCOCCCNCC(=O)N(C)OC 2230a_100000210961_100000764215 [0,2,0,0,0,0|2,0,0]=4 13905 B13R0.340 CCOCCCNCC(=O)N(C)OC 2230a_100015207273_100012232248 [0,2,0,0,0,0|2,0,0]=4 13906 B13R0.340 CCOCCCNCC(C)C(=O)NC 2230a_100015187722_100012232248 [0,2,0,0,0,0|2,0,0]=4 13907 B13R0.340 CCOCCCNCC(C)C(=O)NC 34a_100015187722_100012232248 [0,2,0,0,0,0|2,0,0]=4 13908 B13R0.340 CCOCCCNCC(C)C(=O)OC 34a_100000210961_100000698445 [0,2,0,0,0,0|1,0,0]=3 13909 B13R0.340 CCOCCCOCC(=O)C(=O)OC 34a_100000757476_100011610305 [0,2,0,0,0,0|1,0,1]=4 13910 B13R0.340 CCOCCCOCC(=O)N(C)OC 7a_100000757476_100000764215 [0,2,0,0,0,0|2,0,0]=4 13911 B13R0.340 CCOCCCOCC(C)C(=O)OC 34a_100000749362_100012232248 [0,2,0,0,0,0|1,0,0]=3 13912 B13R0.340 CCOCCCOCC(C)C(=O)OC 34a_100000757476_100000698445 [0,2,0,0,0,0|1,0,0]=3 13913 B13R0.340 CCOCCCOCC(C)C(=O)OC 7a_100000749362_100012232248 [0,2,0,0,0,0|1,0,0]=3 13914 B13R0.340 CCOCCCOCC(F)C(=O)OC 34a_200009849844_100012232248 [0,2,0,0,0,0|1,0,0]=3 13915 B13R0.340 CCOCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100012232248 [0,2,0,0,0,0|1,0,0]=3 13916 B13R0.340 CCOCCCSCC(=O)C(=O)OC 62a_100011610305_100012232248 [0,2,0,0,0,0|1,0,1]=4 13917 B13R0.340 CCOCCCSCC(=O)C(=O)OC 62a_100012232248_100011610305 [0,2,0,0,0,0|1,0,1]=4 13918 B13R0.340 CCOCCCSCC(=O)N(C)OC 62a_100000764215_100012232248 [0,2,0,0,0,0|2,0,0]=4 13919 B13R0.340 CCOCCCSCC(=O)N(C)OC 62a_100012232248_100000764215 [0,2,0,0,0,0|2,0,0]=4 13920 B13R0.340 CCOCCCSCC(C)C(=O)OC 62a_100000698445_100012232248 [0,2,0,0,0,0|1,0,0]=3 13921 B13R0.340 CCOCCCSCC(C)C(=O)OC 62a_100012232248_100000698445 [0,2,0,0,0,0|1,0,0]=3 13922 B13R0.340 CCOCCNCCC(C)C(=O)OC 2230a_102516460346_100000034942 [0,2,0,0,0,0|1,0,0]=3 13923 B13R0.340 CCOCCNCCC(C)C(=O)OC 34a_102516460346_100000034942 [0,2,0,0,0,0|1,0,0]=3 13924 B13R0.340 CCOCCOCCC(=O)C(C)OC 1458a_100000743197_100011211534 [0,2,0,0,0,0|2,0,0]=4 13925 B13R0.340 CCOCCOCCC(C)C(=O)OC 34a_100000210136_100000034942 [0,2,0,0,0,0|1,0,0]=3 13926 B13R0.340 CCOCCOCCC(C)C(=O)OC 7a_100000210136_100000034942 [0,2,0,0,0,0|1,0,0]=3 13927 B13R0.340 CCOCCSCCC(C)C(=O)OC 62a_100000034942_100011215890 [0,2,0,0,0,0|1,0,0]=3 13928 B13R0.340 CCOCCSCCC(C)C(=O)OC 62a_100000210147_100000034942 [0,2,0,0,0,0|1,0,0]=3 13929 B13R0.340 CCOCSCCCC(=O)N(C)OC 62a_100000739092_100011842776 [0,2,0,0,0,0|2,0,0]=4 13930 B13R0.340 CCOCSCCCC(=O)N(C)OC 62a_100011842776_100000739092 [0,2,0,0,0,0|2,0,0]=4 13931 B13R0.340 CCSCCCOCC(=O)C(=O)OC 34a_100011216438_100011610305 [0,2,0,0,0,0|1,0,1]=4 13932 B13R0.340 CCSCCCOCC(=O)N(C)OC 7a_100011216438_100000764215 [0,2,0,0,0,0|2,0,0]=4 13933 B13R0.340 CCSCCCOCC(C)C(=O)OC 34a_100011216438_100000698445 [0,2,0,0,0,0|1,0,0]=3 13934 B13R0.340 CCSCCNCCC(C)C(=O)OC 2230a_100000106463_100000034942 [0,2,0,0,0,0|1,0,0]=3 13935 B13R0.340 CCSCCOCCC(C)C(=O)OC 34a_100000212035_100000034942 [0,2,0,0,0,0|1,0,0]=3 13936 B13R0.340 CCSCCOCCC(C)C(=O)OC 7a_100000212035_100000034942 [0,2,0,0,0,0|1,0,0]=3 13937 B13R0.340 CCSCCSCCC(C)C(=O)OC 62a_100000034942_100000757381 [0,2,0,0,0,0|1,0,0]=3 13938 B13R0.340 CCSCCSCCC(C)C(=O)OC 62a_100000757381_100000034942 [0,2,0,0,0,0|1,0,0]=3 13939 B13R0.340 CNC(=O)C(=O)CCCCCCCO 1458a_100011218921_100000760002 [0,2,0,0,0,0|1,0,1]=4 13940 B13R0.340 CNC(=O)C(=O)CCCCCCOC 1458a_100011218921_100011998445 [0,2,0,0,0,0|1,0,1]=4 13941 B13R0.340 CNC(=O)C(C)CNCCCCCF 2230a_100015187722_100000729378 [0,2,0,0,0,0|2,0,0]=4 13942 B13R0.340 CNC(=O)C(C)CNCCCCCF 34a_100015187722_100000729378 [0,2,0,0,0,0|2,0,0]=4 13943 B13R0.340 CNC(=O)C(C)CNCCCCCO 2230a_100015187722_100000746330 [0,2,0,0,0,0|2,0,0]=4 13944 B13R0.340 CNC(=O)C(C)CNCCCCCO 34a_100015187722_100000746330 [0,2,0,0,0,0|2,0,0]=4 13945 B13R0.340 CNC(=O)C(C)CNCCCCOC 2230a_100015187722_100000730899 [0,2,0,0,0,0|2,0,0]=4 13946 B13R0.340 CNC(=O)C(C)CNCCCCOC 34a_100015187722_100000755781 [0,2,0,0,0,0|2,0,0]=4 13947 B13R0.340 CNC(=O)C(C)NCCCCCCO 2230a_100000686447_100000731044 [0,2,0,0,0,0|2,0,0]=4 13948 B13R0.340 CNC(=O)C(C)NCCCCCCO 34a_100000686447_100000731044 [0,2,0,0,0,0|2,0,0]=4 13949 B13R0.340 CNC(=O)C(C)NCCCCCOC 2230a_100000747528_100000731044 [0,2,0,0,0,0|2,0,0]=4 13950 B13R0.340 CNC(=O)C(C)NCCCCCOC 34a_100000747528_100000731044 [0,2,0,0,0,0|2,0,0]=4 13951 B13R0.340 CNC(=O)C(C)OCCCCCCBr 34a_100011215345_100000731044 [0,2,0,0,0,0|2,0,0]=4 13952 B13R0.340 CNC(=O)C(C)OCCCCCCBr 7a_100011215345_100000209862 [0,2,0,0,0,0|2,0,0]=4 13953 B13R0.340 CNC(=O)C(C)OCCCCCCCl 34a_100000766143_100000731044 [0,2,0,0,0,0|2,0,0]=4 13954 B13R0.340 CNC(=O)C(C)OCCCCCCCl 7a_100000766143_100000209862 [0,2,0,0,0,0|2,0,0]=4 13955 B13R0.340 CNC(=O)C(C)OCCCCCCF 34a_100000732779_100000731044 [0,2,0,0,0,0|2,0,0]=4 13956 B13R0.340 CNC(=O)C(C)OCCCCCCF 7a_100000732779_100000209862 [0,2,0,0,0,0|2,0,0]=4 13957 B13R0.340 CNC(=O)C(C)OCCCCCCN 34a_100000686447_100000731044 [0,2,0,0,0,0|2,0,0]=4 13958 B13R0.340 CNC(=O)C(C)SCCCCCCF 62a_100000209862_100015922095 [0,2,0,0,0,0|2,0,0]=4 13959 B13R0.340 CNC(=O)C(C)SCCCCCCF 62a_100015922095_100000731044 [0,2,0,0,0,0|2,0,0]=4 13960 B13R0.340 CNC(=O)C(C)SCCCCCCO 62a_100000209862_100000766143 [0,2,0,0,0,0|2,0,0]=4 13961 B13R0.340 CNC(=O)C(C)SCCCCCCO 62a_100000766143_100000731044 [0,2,0,0,0,0|2,0,0]=4 13962 B13R0.340 CNC(=O)C(F)NCCCCCCO 2230a_100000686447_100009813575 [0,2,0,0,0,0|2,0,0]=4 13963 B13R0.340 CNC(=O)C(F)NCCCCCCO 34a_100000686447_100009813575 [0,2,0,0,0,0|2,0,0]=4 13964 B13R0.340 CNC(=O)C(F)NCCCCCOC 2230a_100000747528_100009813575 [0,2,0,0,0,0|2,0,0]=4 13965 B13R0.340 CNC(=O)C(F)NCCCCCOC 34a_100000747528_100009813575 [0,2,0,0,0,0|2,0,0]=4 13966 B13R0.340 CNC(=O)C(F)OCCCCCCBr 34a_100011215345_100009813575 [0,2,0,0,0,0|2,0,0]=4 13967 B13R0.340 CNC(=O)C(F)OCCCCCCBr 7a_100011215345_100009813575 [0,2,0,0,0,0|2,0,0]=4 13968 B13R0.340 CNC(=O)C(F)OCCCCCCCl 34a_100000766143_100009813575 [0,2,0,0,0,0|2,0,0]=4 13969 B13R0.340 CNC(=O)C(F)OCCCCCCCl 7a_100000766143_100009813575 [0,2,0,0,0,0|2,0,0]=4 13970 B13R0.340 CNC(=O)C(F)OCCCCCCF 34a_100000732779_100009813575 [0,2,0,0,0,0|2,0,0]=4 13971 B13R0.340 CNC(=O)C(F)OCCCCCCF 7a_100000732779_100009813575 [0,2,0,0,0,0|2,0,0]=4 13972 B13R0.340 CNC(=O)C(F)OCCCCCCN 34a_100000686447_100009813575 [0,2,0,0,0,0|2,0,0]=4 13973 B13R0.340 CNC(=O)C(F)SCCCCCCF 62a_100009813575_100015922095 [0,2,0,0,0,0|2,0,0]=4 13974 B13R0.340 CNC(=O)C(F)SCCCCCCF 62a_100015922095_100009813575 [0,2,0,0,0,0|2,0,0]=4 13975 B13R0.340 CNC(=O)C(F)SCCCCCCO 62a_100000766143_100009813575 [0,2,0,0,0,0|2,0,0]=4 13976 B13R0.340 CNC(=O)C(F)SCCCCCCO 62a_100009813575_100000766143 [0,2,0,0,0,0|2,0,0]=4 13977 B13R0.340 CNC(=O)[C@@H](C)NCCCCCCF 2230a_100000684985_100015922095 [0,2,0,0,0,0|2,0,0]=4 13978 B13R0.340 CNC(=O)[C@@H](C)NCCCCCCF 34a_100000684985_100015922095 [0,2,0,0,0,0|2,0,0]=4 13979 B13R0.340 CNC(=O)[C@@H](C)NCCCCCCO 2230a_100000684985_100000766143 [0,2,0,0,0,0|2,0,0]=4 13980 B13R0.340 CNC(=O)[C@@H](C)NCCCCCCO 34a_100000684985_100000766143 [0,2,0,0,0,0|2,0,0]=4 13981 B13R0.340 CNCCCCCOC(C)C(=O)NC 34a_100000722520_100000731044 [0,2,0,0,0,0|2,0,0]=4 13982 B13R0.340 CNCCCCCOC(C)C(=O)OC 34a_100000722520_100000211248 [0,2,0,0,0,0|1,0,0]=3 13983 B13R0.340 CNCCCCCOC(F)C(=O)NC 34a_100000722520_100009813575 [0,2,0,0,0,0|2,0,0]=4 13984 B13R0.340 CNCCCOCCC(C)C(=O)OC 34a_100000213112_100000034942 [0,2,0,0,0,0|1,0,0]=3 13985 B13R0.340 CNCCOCCOC(C)C(=O)OC 34a_100000228057_100000211248 [0,2,0,0,0,0|2,0,0]=4 13986 B13R0.340 COC(=O)C(=O)CNCCCCCO 34a_100000762737_100011610305 [0,2,0,0,0,0|1,0,1]=4 13987 B13R0.340 COC(=O)C(=O)COCCCCCBr 34a_100000746331_100011610305 [0,2,0,0,0,0|1,0,1]=4 13988 B13R0.340 COC(=O)C(=O)COCCCCCCl 34a_100000746330_100011610305 [0,2,0,0,0,0|1,0,1]=4 13989 B13R0.340 COC(=O)C(=O)COCCCCCI 34a_200012148887_100011610305 [0,2,0,0,0,0|1,0,1]=4 13990 B13R0.340 COC(=O)C(=O)COCCCCCN 34a_100000762737_100011610305 [0,2,0,0,0,0|1,0,1]=4 13991 B13R0.340 COC(=O)C(=O)COCCCCSC 34a_100011217163_100011610305 [0,2,0,0,0,0|1,0,1]=4 13992 B13R0.340 COC(=O)C(=O)CSCCCCCF 62a_100000729378_100011610305 [0,2,0,0,0,0|1,0,1]=4 13993 B13R0.340 COC(=O)C(=O)CSCCCCCF 62a_100011610305_100000729378 [0,2,0,0,0,0|1,0,1]=4 13994 B13R0.340 COC(=O)C(=O)CSCCCCCO 62a_100000746330_100011610305 [0,2,0,0,0,0|1,0,1]=4 13995 B13R0.340 COC(=O)C(=O)CSCCCCCO 62a_100011610305_100000746330 [0,2,0,0,0,0|1,0,1]=4 13996 B13R0.340 COC(=O)C(=O)NCCCCCCO 240690a_100000686447_100000024059 [0,2,0,0,0,0|1,0,1]=4 13997 B13R0.340 COC(=O)C(=O)NCCCCCCO 527a_100000686447_100000024059 [0,2,0,0,0,0|1,0,1]=4 13998 B13R0.340 COC(=O)C(C)CCNCCCCO 2230a_100000750430_100000034942 [0,2,0,0,0,0|1,0,0]=3 13999 B13R0.340 COC(=O)C(C)CCNCCCCO 34a_100000750430_100000034942 [0,2,0,0,0,0|1,0,0]=3 14000 B13R0.340 COC(=O)C(C)CCNCCCSC 2230a_100000749238_100000034942 [0,2,0,0,0,0|1,0,0]=3 14001 B13R0.340 COC(=O)C(C)CCOCCCCBr 34a_100011216708_100000034942 [0,2,0,0,0,0|1,0,0]=3 14002 B13R0.340 COC(=O)C(C)CCOCCCCCl 34a_100000210776_100000034942 [0,2,0,0,0,0|1,0,0]=3 14003 B13R0.340 COC(=O)C(C)CCOCCCCCl 7a_100000210776_100000034942 [0,2,0,0,0,0|1,0,0]=3 14004 B13R0.340 COC(=O)C(C)CCOCCCCF 34a_100011995726_100000034942 [0,2,0,0,0,0|1,0,0]=3 14005 B13R0.340 COC(=O)C(C)CCOCCCCF 7a_100011995726_100000034942 [0,2,0,0,0,0|1,0,0]=3 14006 B13R0.340 COC(=O)C(C)CCOCCCCI 34a_200012148704_100000034942 [0,2,0,0,0,0|1,0,0]=3 14007 B13R0.340 COC(=O)C(C)CCOCCCCN 34a_100000750430_100000034942 [0,2,0,0,0,0|1,0,0]=3 14008 B13R0.340 COC(=O)C(C)CCOCCCSC 34a_100000690336_100000034942 [0,2,0,0,0,0|1,0,0]=3 14009 B13R0.340 COC(=O)C(C)CCOCCCSC 7a_100000690336_100000034942 [0,2,0,0,0,0|1,0,0]=3 14010 B13R0.340 COC(=O)C(C)CCSCCCC#N 62a_100000034942_100000687738 [0,2,0,0,0,0|1,0,1]=4 14011 B13R0.340 COC(=O)C(C)CCSCCCC#N 62a_100000687738_100000034942 [0,2,0,0,0,0|1,0,1]=4 14012 B13R0.340 COC(=O)C(C)CCSCCCC=O 62a_100000034942_200011292268 [0,2,0,0,0,0|1,0,1]=4 14013 B13R0.340 COC(=O)C(C)CCSCCCC=O 62a_200011292268_100000034942 [0,2,0,0,0,0|1,0,1]=4 14014 B13R0.340 COC(=O)C(C)CCSCCCCF 62a_100000034942_100000729493 [0,2,0,0,0,0|1,0,0]=3 14015 B13R0.340 COC(=O)C(C)CCSCCCCF 62a_100000729493_100000034942 [0,2,0,0,0,0|1,0,0]=3 14016 B13R0.340 COC(=O)C(C)CCSCCCCO 62a_100000034942_100000210776 [0,2,0,0,0,0|1,0,0]=3 14017 B13R0.340 COC(=O)C(C)CCSCCCCO 62a_100000210776_100000034942 [0,2,0,0,0,0|1,0,0]=3 14018 B13R0.340 COC(=O)C(C)CNCCCCCO 34a_100000762737_100000698445 [0,2,0,0,0,0|1,0,0]=3 14019 B13R0.340 COC(=O)C(C)CNCCOCCO 34a_100000211614_100000698445 [0,2,0,0,0,0|2,0,0]=4 14020 B13R0.340 COC(=O)C(C)COCCCCC#N 7a_100000749362_100000211819 [0,2,0,0,0,0|1,0,1]=4 14021 B13R0.340 COC(=O)C(C)COCCCCC=O 7a_100000749362_100000139335 [0,2,0,0,0,0|1,0,1]=4 14022 B13R0.340 COC(=O)C(C)COCCCCCBr 34a_100000746331_100000698445 [0,2,0,0,0,0|1,0,0]=3 14023 B13R0.340 COC(=O)C(C)COCCCCCCl 34a_100000746330_100000698445 [0,2,0,0,0,0|1,0,0]=3 14024 B13R0.340 COC(=O)C(C)COCCCCCF 34a_100000749362_100000729378 [0,2,0,0,0,0|1,0,0]=3 14025 B13R0.340 COC(=O)C(C)COCCCCCF 7a_100000749362_100000729378 [0,2,0,0,0,0|1,0,0]=3 14026 B13R0.340 COC(=O)C(C)COCCCCCI 34a_200012148887_100000698445 [0,2,0,0,0,0|1,0,0]=3 14027 B13R0.340 COC(=O)C(C)COCCCCCN 34a_100000762737_100000698445 [0,2,0,0,0,0|1,0,0]=3 14028 B13R0.340 COC(=O)C(C)COCCCCCO 34a_100000749362_100000746330 [0,2,0,0,0,0|1,0,0]=3 14029 B13R0.340 COC(=O)C(C)COCCCCCO 7a_100000749362_100000746330 [0,2,0,0,0,0|1,0,0]=3 14030 B13R0.340 COC(=O)C(C)COCCCCSC 34a_100011217163_100000698445 [0,2,0,0,0,0|1,0,0]=3 14031 B13R0.340 COC(=O)C(C)COCCOCCBr 34a_100000692535_100000698445 [0,2,0,0,0,0|2,0,0]=4 14032 B13R0.340 COC(=O)C(C)COCCOCCCl 34a_100011215305_100000698445 [0,2,0,0,0,0|2,0,0]=4 14033 B13R0.340 COC(=O)C(C)COCCOCCF 34a_200015357709_100000698445 [0,2,0,0,0,0|2,0,0]=4 14034 B13R0.340 COC(=O)C(C)COCCOCCI 34a_100012149058_100000698445 [0,2,0,0,0,0|2,0,0]=4 14035 B13R0.340 COC(=O)C(C)COCCOCCN 34a_100000211614_100000698445 [0,2,0,0,0,0|2,0,0]=4 14036 B13R0.340 COC(=O)C(C)COCCOCCO 34a_100000749362_100000692535 [0,2,0,0,0,0|2,0,0]=4 14037 B13R0.340 COC(=O)C(C)COCCOCCO 7a_100000749362_100011215305 [0,2,0,0,0,0|2,0,0]=4 14038 B13R0.340 COC(=O)C(C)CSCCCCC#N 62a_100000698445_100000211819 [0,2,0,0,0,0|1,0,1]=4 14039 B13R0.340 COC(=O)C(C)CSCCCCC#N 62a_100011219923_100000698445 [0,2,0,0,0,0|1,0,1]=4 14040 B13R0.340 COC(=O)C(C)CSCCCCC=O 62a_100000139335_100000698445 [0,2,0,0,0,0|1,0,1]=4 14041 B13R0.340 COC(=O)C(C)CSCCCCC=O 62a_100000698445_100000139335 [0,2,0,0,0,0|1,0,1]=4 14042 B13R0.340 COC(=O)C(C)CSCCCCCF 62a_100000698445_100000729378 [0,2,0,0,0,0|1,0,0]=3 14043 B13R0.340 COC(=O)C(C)CSCCCCCF 62a_100000729378_100000698445 [0,2,0,0,0,0|1,0,0]=3 14044 B13R0.340 COC(=O)C(C)CSCCCCCO 62a_100000698445_100000746330 [0,2,0,0,0,0|1,0,0]=3 14045 B13R0.340 COC(=O)C(C)CSCCCCCO 62a_100000746330_100000698445 [0,2,0,0,0,0|1,0,0]=3 14046 B13R0.340 COC(=O)C(C)CSCCOCCO 62a_100000698445_100011215305 [0,2,0,0,0,0|2,0,0]=4 14047 B13R0.340 COC(=O)C(C)CSCCOCCO 62a_100011215305_100000698445 [0,2,0,0,0,0|2,0,0]=4 14048 B13R0.340 COC(=O)C(C)NCCCCCCO 2230a_100000686447_100000211248 [0,2,0,0,0,0|1,0,0]=3 14049 B13R0.340 COC(=O)C(C)NCCCCCCO 34a_100000686447_100000211248 [0,2,0,0,0,0|1,0,0]=3 14050 B13R0.340 COC(=O)C(C)OCCCCCCBr 34a_100011215345_100000211248 [0,2,0,0,0,0|1,0,0]=3 14051 B13R0.340 COC(=O)C(C)OCCCCCCBr 7a_100011215345_100000211248 [0,2,0,0,0,0|1,0,0]=3 14052 B13R0.340 COC(=O)C(C)OCCCCCCCl 34a_100000766143_100000211248 [0,2,0,0,0,0|1,0,0]=3 14053 B13R0.340 COC(=O)C(C)OCCCCCCCl 7a_100000766143_100000211248 [0,2,0,0,0,0|1,0,0]=3 14054 B13R0.340 COC(=O)C(C)OCCCCCCF 34a_100000732779_100000211248 [0,2,0,0,0,0|1,0,0]=3 14055 B13R0.340 COC(=O)C(C)OCCCCCCF 34a_100011215400_100015922095 [0,2,0,0,0,0|1,0,0]=3 14056 B13R0.340 COC(=O)C(C)OCCCCCCF 7a_100000732779_100000211248 [0,2,0,0,0,0|1,0,0]=3 14057 B13R0.340 COC(=O)C(C)OCCCCCCN 34a_100000686447_100000211248 [0,2,0,0,0,0|1,0,0]=3 14058 B13R0.340 COC(=O)C(C)OCCCCCCO 34a_100011215400_100000766143 [0,2,0,0,0,0|1,0,0]=3 14059 B13R0.340 COC(=O)C(C)SCCCCCC#N 62a_100000211248_100009813376 [0,2,0,0,0,0|1,0,1]=4 14060 B13R0.340 COC(=O)C(C)SCCCCCC#N 62a_100009813376_100000211248 [0,2,0,0,0,0|1,0,1]=4 14061 B13R0.340 COC(=O)C(C)SCCCCCC=O 62a_100000139337_100000211248 [0,2,0,0,0,0|1,0,1]=4 14062 B13R0.340 COC(=O)C(C)SCCCCCC=O 62a_100000211248_100000139337 [0,2,0,0,0,0|1,0,1]=4 14063 B13R0.340 COC(=O)C(C)SCCCCCCF 62a_100000211248_100015922095 [0,2,0,0,0,0|1,0,0]=3 14064 B13R0.340 COC(=O)C(C)SCCCCCCF 62a_100015922095_100000211248 [0,2,0,0,0,0|1,0,0]=3 14065 B13R0.340 COC(=O)C(C)SCCCCCCO 62a_100000211248_100000766143 [0,2,0,0,0,0|1,0,0]=3 14066 B13R0.340 COC(=O)C(C)SCCCCCCO 62a_100000766143_100000211248 [0,2,0,0,0,0|1,0,0]=3 14067 B13R0.340 COC(=O)C(F)COCCCCCF 34a_200009849844_100000729378 [0,2,0,0,0,0|1,0,0]=3 14068 B13R0.340 COC(=O)C(F)COCCCCCO 34a_200009849844_100000746330 [0,2,0,0,0,0|1,0,0]=3 14069 B13R0.340 COC(=O)C(F)COCCOCCO 34a_200009849844_100000692535 [0,2,0,0,0,0|2,0,0]=4 14070 B13R0.340 COC(=O)[C@H](N)COCCCCCF 34a_100000003586_100000729378 [0,2,0,0,0,0|1,0,0]=3 14071 B13R0.340 COC(=O)[C@H](N)COCCCCCO 34a_100000003586_100000746330 [0,2,0,0,0,0|1,0,0]=3 14072 B13R0.340 COC(=O)[C@H](N)COCCOCCO 34a_100000003586_100000692535 [0,2,0,0,0,0|2,0,0]=4 14073 B13R0.340 COC(C)C(=O)CCCCCCC#N 1458a_100000743197_100009813337 [0,2,0,0,0,0|1,0,1]=4 14074 B13R0.340 COC(C)C(=O)CCCCCCCO 1458a_100000743197_100000760002 [0,2,0,0,0,0|1,0,0]=3 14075 B13R0.340 COC(C)C(=O)NCCCCCCO 240690a_100000686447_100000743197 [0,2,0,0,0,0|2,0,0]=4 14076 B13R0.340 COC(C)C(=O)NCCCCCCO 527a_100000686447_100000743197 [0,2,0,0,0,0|2,0,0]=4 14077 B13R0.340 COCCCCCCC(=O)C(C)C#N 1458a_100000753662_100011998445 [0,2,0,0,0,0|2,0,0]=4 14078 B13R0.340 COCCCCCCC(=O)C(C)OC 1458a_100000743197_100011998445 [0,2,0,0,0,0|1,0,0]=3 14079 B13R0.340 COCCCCCCC(=O)C(C)SC 1458a_100000149566_100011998445 [0,2,0,0,0,0|1,1,0]=4 14080 B13R0.340 COCCCCCCC(=O)C(O)CO 1458a_100011215603_100011998445 [0,2,0,0,0,0|2,0,0]=4 14081 B13R0.340 COCCCCCNC(=O)C(=O)OC 11a_100000747528_100000024059 [0,2,0,0,0,0|1,0,1]=4 14082 B13R0.340 COCCCCCNC(=O)C(=O)OC 1626a_100000747528_100000024059 [0,2,0,0,0,0|1,0,1]=4 14083 B13R0.340 COCCCCCNC(=O)C(=O)OC 240690a_100000747528_100000024059 [0,2,0,0,0,0|1,0,1]=4 14084 B13R0.340 COCCCCCNC(=O)C(=O)OC 527a_100000747528_100000024059 [0,2,0,0,0,0|1,0,1]=4 14085 B13R0.340 COCCCCCNC(=O)C(C)OC 11a_100000747528_100000743197 [0,2,0,0,0,0|2,0,0]=4 14086 B13R0.340 COCCCCCNC(=O)C(C)OC 1626a_100000747528_100000743197 [0,2,0,0,0,0|2,0,0]=4 14087 B13R0.340 COCCCCCNC(=O)C(C)OC 240690a_100000747528_100000743197 [0,2,0,0,0,0|2,0,0]=4 14088 B13R0.340 COCCCCCNC(=O)C(C)OC 527a_100000747528_100000743197 [0,2,0,0,0,0|2,0,0]=4 14089 B13R0.340 COCCCCCNC(C)C(=O)OC 2230a_100000747528_100000211248 [0,2,0,0,0,0|1,0,0]=3 14090 B13R0.340 COCCCCCNC(C)C(=O)OC 34a_100000747528_100000211248 [0,2,0,0,0,0|1,0,0]=3 14091 B13R0.340 COCCCCNCC(=O)N(C)OC 2230a_100015207273_100000730899 [0,2,0,0,0,0|2,0,0]=4 14092 B13R0.340 COCCCCOCC(=O)C(=O)OC 34a_100000740925_100011610305 [0,2,0,0,0,0|1,0,1]=4 14093 B13R0.340 COCCCCOCC(C)C(=O)OC 34a_100000740925_100000698445 [0,2,0,0,0,0|1,0,0]=3 14094 B13R0.340 COCCCCOCC(C)C(=O)OC 34a_100000749362_100000755781 [0,2,0,0,0,0|1,0,0]=3 14095 B13R0.340 COCCCCOCC(C)C(=O)OC 7a_100000749362_100000730899 [0,2,0,0,0,0|1,0,0]=3 14096 B13R0.340 COCCCCOCC(F)C(=O)OC 34a_200009849844_100000755781 [0,2,0,0,0,0|1,0,0]=3 14097 B13R0.340 COCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000755781 [0,2,0,0,0,0|1,0,0]=3 14098 B13R0.340 COCCCCSCC(=O)C(=O)OC 62a_100000730899_100011610305 [0,2,0,0,0,0|1,0,1]=4 14099 B13R0.340 COCCCCSCC(=O)C(=O)OC 62a_100011610305_100000730899 [0,2,0,0,0,0|1,0,1]=4 14100 B13R0.340 COCCCCSCC(=O)N(C)OC 62a_100000730899_100000764215 [0,2,0,0,0,0|2,0,0]=4 14101 B13R0.340 COCCCCSCC(=O)N(C)OC 62a_100000764215_100000730899 [0,2,0,0,0,0|2,0,0]=4 14102 B13R0.340 COCCCCSCC(C)C(=O)OC 62a_100000698445_100000730899 [0,2,0,0,0,0|1,0,0]=3 14103 B13R0.340 COCCCCSCC(C)C(=O)OC 62a_100000730899_100000698445 [0,2,0,0,0,0|1,0,0]=3 14104 B13R0.340 COCCCNCCC(C)C(=O)OC 34a_100150723488_100000034942 [0,2,0,0,0,0|1,0,0]=3 14105 B13R0.340 COCCCOCCC(C)C(=O)OC 34a_100000740835_100000034942 [0,2,0,0,0,0|1,0,0]=3 14106 B13R0.340 COCCCSCCC(C)C(=O)OC 62a_100000034942_100000709357 [0,2,0,0,0,0|1,0,0]=3 14107 B13R0.340 COCCCSCCC(C)C(=O)OC 62a_100000709357_100000034942 [0,2,0,0,0,0|1,0,0]=3 14108 B13R0.340 COCCOCCCC(=O)C(C)OC 1458a_100000743197_100011216529 [0,2,0,0,0,0|2,0,0]=4 14109 B13R0.340 COCCOCCNC(C)C(=O)OC 2230a_100000745349_100000211248 [0,2,0,0,0,0|2,0,0]=4 14110 B13R0.340 COCCOCCNC(C)C(=O)OC 34a_100000745349_100000211248 [0,2,0,0,0,0|2,0,0]=4 14111 B13R0.340 COCCOCCOC(C)C(=O)OC 34a_100011215163_100000211248 [0,2,0,0,0,0|2,0,0]=4 14112 B13R0.340 COCCOCCOC(C)C(=O)OC 34a_100011215400_100000695917 [0,2,0,0,0,0|2,0,0]=4 14113 B13R0.340 COCCOCCOC(C)C(=O)OC 7a_100011215163_100000211248 [0,2,0,0,0,0|2,0,0]=4 14114 B13R0.340 COCCOCCSC(C)C(=O)OC 62a_100000211248_100000695917 [0,2,0,0,0,0|2,0,0]=4 14115 B13R0.340 COCCOCCSC(C)C(=O)OC 62a_100000695917_100000211248 [0,2,0,0,0,0|2,0,0]=4 14116 B13R0.340 COCCOCSCC(C)C(=O)OC 62a_100000231047_100000698445 [0,2,0,0,0,0|2,0,0]=4 14117 B13R0.340 COCCOCSCC(C)C(=O)OC 62a_100000698445_100000231047 [0,2,0,0,0,0|2,0,0]=4 14118 B13R0.340 COCCSCCCC(=O)N(C)OC 62a_100000233755_100011842776 [0,2,0,0,0,0|2,0,0]=4 14119 B13R0.340 COCCSCCCC(=O)N(C)OC 62a_100011842776_100000233755 [0,2,0,0,0,0|2,0,0]=4 14120 B13R0.340 CON(C)C(=O)CCCOCCSC 7a_100000230434_100011842776 [0,2,0,0,0,0|2,0,0]=4 14121 B13R0.340 CON(C)C(=O)CCCSCCCF 62a_100011842776_100011934791 [0,2,0,0,0,0|2,0,0]=4 14122 B13R0.340 CON(C)C(=O)CCCSCCCF 62a_100011934791_100011842776 [0,2,0,0,0,0|2,0,0]=4 14123 B13R0.340 CON(C)C(=O)CCCSCCCO 62a_100011215043_100011842776 [0,2,0,0,0,0|2,0,0]=4 14124 B13R0.340 CON(C)C(=O)CCCSCCCO 62a_100011842776_100011215043 [0,2,0,0,0,0|2,0,0]=4 14125 B13R0.340 CON(C)C(=O)CCCSCCSC 62a_100000212216_100011842776 [0,2,0,0,0,0|2,0,0]=4 14126 B13R0.340 CON(C)C(=O)CCCSCCSC 62a_100011842776_100000751147 [0,2,0,0,0,0|2,0,0]=4 14127 B13R0.340 CON(C)C(=O)CNCCCCCF 2230a_100015207273_100000729378 [0,2,0,0,0,0|2,0,0]=4 14128 B13R0.340 CON(C)C(=O)CNCCCCCO 2230a_100000762737_100000764215 [0,2,0,0,0,0|2,0,0]=4 14129 B13R0.340 CON(C)C(=O)CNCCCCCO 2230a_100015207273_100000746330 [0,2,0,0,0,0|2,0,0]=4 14130 B13R0.340 CON(C)C(=O)COCCCCCBr 7a_100000746331_100000764215 [0,2,0,0,0,0|2,0,0]=4 14131 B13R0.340 CON(C)C(=O)COCCCCCCl 7a_100000746330_100000764215 [0,2,0,0,0,0|2,0,0]=4 14132 B13R0.340 CON(C)C(=O)COCCCCCI 7a_200012148887_100000764215 [0,2,0,0,0,0|2,0,0]=4 14133 B13R0.340 CON(C)C(=O)COCCCCSC 7a_100011217163_100000764215 [0,2,0,0,0,0|2,0,0]=4 14134 B13R0.340 CON(C)C(=O)CSCCCCCF 62a_100000729378_100000764215 [0,2,0,0,0,0|2,0,0]=4 14135 B13R0.340 CON(C)C(=O)CSCCCCCF 62a_100000764215_100000729378 [0,2,0,0,0,0|2,0,0]=4 14136 B13R0.340 CON(C)C(=O)CSCCCCCO 62a_100000746330_100000764215 [0,2,0,0,0,0|2,0,0]=4 14137 B13R0.340 CON(C)C(=O)CSCCCCCO 62a_100000764215_100000746330 [0,2,0,0,0,0|2,0,0]=4 14138 B13R0.340 CSC(C)C(=O)CCCCCCCO 1458a_100000149566_100000760002 [0,2,0,0,0,0|1,1,0]=4 14139 B13R0.340 O=C(CCCCCCCO)C(O)CO 1458a_100011215603_100000760002 [0,2,0,0,0,0|2,0,0]=4 14140 B13R0.367 C=COC(=O)COCCC(C)CCC 34a_100011217855_100000036128 [0,2,0,0,0,0|1,0,1]=4 14141 B13R0.367 C=COC(=O)COCC[C@@H](N)CCC 34a_100015193777_100000036128 [0,2,0,0,0,0|1,0,1]=4 14142 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100000211992_100000750268 [0,2,0,0,0,0|0,0,1]=3 14143 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210303 [0,2,0,0,0,0|0,0,1]=3 14144 B13R0.367 CCCC(=O)CCOCC(=O)OCC 1458a_100000211992_100000088970 [0,2,0,0,0,0|1,0,1]=4 14145 B13R0.367 CCCC(=O)COCCC(C)CCC 7a_100011217855_100000747444 [0,2,0,0,0,0|2,0,0]=4 14146 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000747444_100000765890 [0,2,0,0,0,0|1,0,1]=4 14147 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000765890_100000747444 [0,2,0,0,0,0|1,0,1]=4 14148 B13R0.367 CCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000211992 [0,2,0,0,0,0|1,0,1]=4 14149 B13R0.367 CCCC(C)CCOCC(=O)NCC 34a_100011217855_100000183381 [0,2,0,0,0,0|2,0,0]=4 14150 B13R0.367 CCCC(C)CCOCC(=O)NCC 7a_100011217855_100000183381 [0,2,0,0,0,0|2,0,0]=4 14151 B13R0.367 CCCC(C)CCOCC(=O)NCO 34a_100011217855_100000185155 [0,2,0,0,0,0|2,0,0]=4 14152 B13R0.367 CCCC(C)CCOCC(=O)NCO 7a_100011217855_100000185155 [0,2,0,0,0,0|2,0,0]=4 14153 B13R0.367 CCCC(C)CCOCC(=O)OCC 34a_100011217855_100000188475 [0,2,0,0,0,0|1,0,0]=3 14154 B13R0.367 CCCC(C)CCOCC(=O)OCC 7a_100011217855_100000188475 [0,2,0,0,0,0|1,0,0]=3 14155 B13R0.367 CCCC(C)CNCCC(=O)NCC 270004a_100025743525_100000243154 [0,2,0,0,0,0|2,0,0]=4 14156 B13R0.367 CCCC(C)CNCCC(=O)NCC 34a_100025743525_100011216630 [0,2,0,0,0,0|2,0,0]=4 14157 B13R0.367 CCCC(C)COCCC(=O)NCC 7a_100000688023_100000737597 [0,2,0,0,0,0|2,0,0]=4 14158 B13R0.367 CCCC(C)COCCC(=O)OCC 34a_100000688023_100000765890 [0,2,0,0,0,0|1,0,0]=3 14159 B13R0.367 CCCC(C)COCCC(=O)OCC 7a_100000688023_100011206558 [0,2,0,0,0,0|1,0,0]=3 14160 B13R0.367 CCCC(C)CSCCC(=O)NCC 62a_100000737597_100011216630 [0,2,0,0,0,0|2,0,0]=4 14161 B13R0.367 CCCC(C)CSCCC(=O)NCC 62a_100011216630_100000737597 [0,2,0,0,0,0|2,0,0]=4 14162 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100000765890_100011216630 [0,2,0,0,0,0|1,0,0]=3 14163 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100011216630_100000765890 [0,2,0,0,0,0|1,0,0]=3 14164 B13R0.367 CCCC(C)CSCOC(=O)OCC 62a_100011216630_100000075025 [0,2,0,0,0,0|2,0,0]=4 14165 B13R0.367 CCCC(C)NCCCC(=O)OCC 2230a_100000741246_100009991533 [0,2,0,0,0,0|1,0,0]=3 14166 B13R0.367 CCCC(C)OCCCC(=O)OCC 34a_100000764384_100009991533 [0,2,0,0,0,0|1,0,0]=3 14167 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100000764384_100011215271 [0,2,0,0,0,0|1,0,0]=3 14168 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100012001163_100000766640 [0,2,0,0,0,0|1,0,0]=3 14169 B13R0.367 CCCC(C)OCCNC(=O)OCC 34a_100000158857_100000766640 [0,2,0,0,0,0|2,0,0]=4 14170 B13R0.367 CCCC(C)OCCNC(=O)OCC 7a_100000764384_200011445536 [0,2,0,0,0,0|2,0,0]=4 14171 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100000766640_100009991533 [0,2,0,0,0,0|1,0,0]=3 14172 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100009991533_100000766640 [0,2,0,0,0,0|1,0,0]=3 14173 B13R0.367 CCCC(C)SCCNC(=O)OCC 62a_100000766640_200011445536 [0,2,0,0,0,0|2,0,0]=4 14174 B13R0.367 CCCN(C)CCCCC(=O)OCC 2230a_100000747261_100000750268 [0,2,0,0,0,0|1,0,0]=3 14175 B13R0.367 CCCN(C)CCCCC(=O)OCC 269982a_100000747261_100000750268 [0,2,0,0,0,0|1,0,0]=3 14176 B13R0.367 CCCN(C)CCOCC(=O)OCC 2230a_100000747261_100000088970 [0,2,0,0,0,0|2,0,0]=4 14177 B13R0.367 CCCN(C)CCOCC(=O)OCC 269982a_100000747261_100000088970 [0,2,0,0,0,0|2,0,0]=4 14178 B13R0.367 CCC[C@H](N)CCOCC(=O)NCC 34a_100015193777_100000183381 [0,2,0,0,0,0|2,0,0]=4 14179 B13R0.367 CCC[C@H](N)CCOCC(=O)NCO 34a_100015193777_100000185155 [0,2,0,0,0,0|2,0,0]=4 14180 B13R0.367 CCC[C@H](N)CCOCC(=O)OCC 34a_100015193777_100000188475 [0,2,0,0,0,0|1,0,0]=3 14181 B13R0.367 CCC[C@H](N)COCCC(=O)OCC 34a_100000732646_100000765890 [0,2,0,0,0,0|1,0,0]=3 14182 B13R0.367 CCNC(=O)CCCCC(=O)OCC 11a_100015525214_100011217402 [0,2,0,0,0,0|1,0,1]=4 14183 B13R0.367 CCNC(=O)CCCCC(=O)OCC 240690a_100015525214_100011217402 [0,2,0,0,0,0|1,0,1]=4 14184 B13R0.367 CCNC(=O)CCCCC(=O)OCC 527a_100015525214_100011217402 [0,2,0,0,0,0|1,0,1]=4 14185 B13R0.367 CCOC(=O)CCCCC(=O)CCF 1458a_100011217402_100011217306 [0,2,0,0,0,0|1,0,1]=4 14186 B13R0.367 CCOC(=O)CCCCC(=O)CCO 1458a_100011216618_100000750268 [0,2,0,0,0,0|1,0,1]=4 14187 B13R0.367 CCOC(=O)CCCCC(=O)CCO 1458a_100011217402_100000211926 [0,2,0,0,0,0|1,0,1]=4 14188 B13R0.367 CCOC(=O)CCCCC(=O)COC 1458a_100000210968_100000750268 [0,2,0,0,0,0|1,0,1]=4 14189 B13R0.367 CCOC(=O)CCCCC(=O)CSC 1458a_100000184570_100000750268 [0,2,0,0,0,0|1,0,1]=4 14190 B13R0.367 CCOC(=O)CCCCN(C)CCO 2230a_100000210263_100000750268 [0,2,0,0,0,0|2,0,0]=4 14191 B13R0.367 CCOC(=O)CCCCN(C)CCO 269982a_100000210263_100000750268 [0,2,0,0,0,0|2,0,0]=4 14192 B13R0.367 CCOC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100009991533 [0,2,0,0,0,0|2,0,0]=4 14193 B13R0.367 CCOC(=O)CCCN[C@H](C)CCO 34a_100000706166_100009991533 [0,2,0,0,0,0|2,0,0]=4 14194 B13R0.367 CCOC(=O)CCCN[C@H](C)COC 2230a_100000764878_100009991533 [0,2,0,0,0,0|2,0,0]=4 14195 B13R0.367 CCOC(=O)CCCOC(C)CCBr 34a_100012276601_100009991533 [0,2,0,0,0,0|2,0,0]=4 14196 B13R0.367 CCOC(=O)CCCOC(C)CCO 7a_100012001163_100009893172 [0,2,0,0,0,0|2,0,0]=4 14197 B13R0.367 CCOC(=O)CCCOC(C)COC 7a_100012001163_100000765312 [0,2,0,0,0,0|2,0,0]=4 14198 B13R0.367 CCOC(=O)CCCO[C@H](C)COC 34a_100011934205_100009991533 [0,2,0,0,0,0|2,0,0]=4 14199 B13R0.367 CCOC(=O)CCCSC(C)CCO 62a_100009893172_100009991533 [0,2,0,0,0,0|2,0,0]=4 14200 B13R0.367 CCOC(=O)CCCSC(C)CCO 62a_100009991533_100009893172 [0,2,0,0,0,0|2,0,0]=4 14201 B13R0.367 CCOC(=O)CCCSC(C)COC 62a_100000765312_100009991533 [0,2,0,0,0,0|2,0,0]=4 14202 B13R0.367 CCOC(=O)CCCSC(C)COC 62a_100009991533_100000765312 [0,2,0,0,0,0|2,0,0]=4 14203 B13R0.367 CCOC(=O)CCNCC(O)COC 2230a_100000756049_100011206558 [0,2,0,0,0,0|2,0,0]=4 14204 B13R0.367 CCOC(=O)CCNCC(O)COC 34a_100000756049_100000765890 [0,2,0,0,0,0|2,0,0]=4 14205 B13R0.367 CCOC(=O)CCOCC(C)CCN 34a_106354213184_100000765890 [0,2,0,0,0,0|2,0,0]=4 14206 B13R0.367 CCOC(=O)CCOCC(N)COC 34a_100000724102_100000765890 [0,2,0,0,0,0|2,0,0]=4 14207 B13R0.367 CCOC(=O)CCSCC(O)COC 62a_100000765890_100011215053 [0,2,0,0,0,0|2,0,0]=4 14208 B13R0.367 CCOC(=O)CCSCC(O)COC 62a_100011215053_100000765890 [0,2,0,0,0,0|2,0,0]=4 14209 B13R0.1338 CCCCCCCCS(=O)(=O)NCC 270084a_100015525214_100011218563 [0,2,0,0,0,0|2,0,0]=4 14210 B13R0.1338 CCCCCCCCS(=O)(=O)NCC 274078a_100015525214_100011218563 [0,2,0,0,0,0|2,0,0]=4 14211 B13R0.60 CCC(NCCCCCO)C(=O)OC 2230a_100000762737_100000235869 [0,2,0,0,0,0|2,0,0]=4 14212 B13R0.60 CCC(NCCCCCO)C(=O)OC 34a_100000762737_100000235869 [0,2,0,0,0,0|2,0,0]=4 14213 B13R0.60 CCC(OCCCCCBr)C(=O)OC 34a_100000746331_100000235869 [0,2,0,0,0,0|2,0,0]=4 14214 B13R0.60 CCC(OCCCCCBr)C(=O)OC 7a_100000746331_100000742303 [0,2,0,0,0,0|2,0,0]=4 14215 B13R0.60 CCC(OCCCCCCl)C(=O)OC 34a_100000746330_100000235869 [0,2,0,0,0,0|2,0,0]=4 14216 B13R0.60 CCC(OCCCCCCl)C(=O)OC 7a_100000746330_100000742303 [0,2,0,0,0,0|2,0,0]=4 14217 B13R0.60 CCC(OCCCCCF)C(=O)OC 34a_100000695916_100000729378 [0,2,0,0,0,0|2,0,0]=4 14218 B13R0.60 CCC(OCCCCCF)C(=O)OC 7a_100000695916_100000729378 [0,2,0,0,0,0|2,0,0]=4 14219 B13R0.60 CCC(OCCCCCI)C(=O)OC 34a_200012148887_100000235869 [0,2,0,0,0,0|2,0,0]=4 14220 B13R0.60 CCC(OCCCCCI)C(=O)OC 7a_200012148887_100000742303 [0,2,0,0,0,0|2,0,0]=4 14221 B13R0.60 CCC(OCCCCCN)C(=O)OC 34a_100000762737_100000235869 [0,2,0,0,0,0|2,0,0]=4 14222 B13R0.60 CCC(OCCCCCO)C(=O)OC 34a_100000695916_100000746330 [0,2,0,0,0,0|2,0,0]=4 14223 B13R0.60 CCC(OCCCCCO)C(=O)OC 7a_100000695916_100000746330 [0,2,0,0,0,0|2,0,0]=4 14224 B13R0.60 CCC(OCCCCOC)C(=O)OC 34a_100000695916_100000755781 [0,2,0,0,0,0|2,0,0]=4 14225 B13R0.60 CCC(OCCCCOC)C(=O)OC 34a_100000740925_100000235869 [0,2,0,0,0,0|2,0,0]=4 14226 B13R0.60 CCC(OCCCCOC)C(=O)OC 7a_100000695916_100000730899 [0,2,0,0,0,0|2,0,0]=4 14227 B13R0.60 CCC(OCCCCSC)C(=O)OC 34a_100011217163_100000235869 [0,2,0,0,0,0|2,0,0]=4 14228 B13R0.60 CCC(OCCCCSC)C(=O)OC 7a_100011217163_100000742303 [0,2,0,0,0,0|2,0,0]=4 14229 B13R0.60 CCC(SCCCCCF)C(=O)OC 62a_100000235869_100000729378 [0,2,0,0,0,0|2,0,0]=4 14230 B13R0.60 CCC(SCCCCCF)C(=O)OC 62a_100000729378_100000235869 [0,2,0,0,0,0|2,0,0]=4 14231 B13R0.60 CCC(SCCCCCO)C(=O)OC 62a_100000235869_100000746330 [0,2,0,0,0,0|2,0,0]=4 14232 B13R0.60 CCC(SCCCCCO)C(=O)OC 62a_100000746330_100000235869 [0,2,0,0,0,0|2,0,0]=4 14233 B13R0.60 CCC(SCCCCOC)C(=O)OC 62a_100000235869_100000730899 [0,2,0,0,0,0|2,0,0]=4 14234 B13R0.60 CCC(SCCCCOC)C(=O)OC 62a_100000730899_100000235869 [0,2,0,0,0,0|2,0,0]=4 14235 B13R0.60 CCCCCCCN(CC)C(=O)CC 11a_100000228213_100000210414 [0,2,0,0,0,0|2,0,0]=4 14236 B13R0.60 CCCCCCCN(CC)C(=O)CC 1626a_100000228213_100000210414 [0,2,0,0,0,0|2,0,0]=4 14237 B13R0.60 CCCCCCCN(CC)C(=O)CC 240690a_100000228213_100000210414 [0,2,0,0,0,0|2,0,0]=4 14238 B13R0.60 CCCCCCCN(CC)C(=O)CC 527a_100000228213_100000210414 [0,2,0,0,0,0|2,0,0]=4 14239 B13R0.60 CCCCCCCN(CC)C(=O)NC 2708a_100102657272_100000228213 [0,2,0,0,0,0|2,0,0]=4 14240 B13R0.60 CCCCCCCN(CC)C(=O)NC 273464a_100102657272_100000228213 [0,2,0,0,0,0|2,0,0]=4 14241 B13R0.60 CCCCCCNC(CC)C(=O)OC 2230a_100000210581_100000235869 [0,2,0,0,0,0|1,0,0]=3 14242 B13R0.60 CCCCCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210314 [0,2,0,0,0,0|2,0,0]=4 14243 B13R0.60 CCCCCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210314 [0,2,0,0,0,0|2,0,0]=4 14244 B13R0.60 CCCCCCOC(C=O)C(=O)OC 34a_100000210259_100000046368 [0,2,0,0,0,0|1,0,0]=3 14245 B13R0.60 CCCCCCOC(CC)C(=O)CC 34a_200011218131_100000210314 [0,2,0,0,0,0|2,0,0]=4 14246 B13R0.60 CCCCCCOC(CC)C(=O)CC 7a_200011218131_100000210314 [0,2,0,0,0,0|2,0,0]=4 14247 B13R0.60 CCCCCCOC(CC)C(=O)OC 34a_100000210259_100000235869 [0,2,0,0,0,0|1,0,0]=3 14248 B13R0.60 CCCCCCOC(CC)C(=O)OC 34a_100000695916_100000210314 [0,2,0,0,0,0|1,0,0]=3 14249 B13R0.60 CCCCCCOC(CC)C(=O)OC 7a_100000210259_100000742303 [0,2,0,0,0,0|1,0,0]=3 14250 B13R0.60 CCCCCCOC(CC)C(=O)OC 7a_100000695916_100000210314 [0,2,0,0,0,0|1,0,0]=3 14251 B13R0.60 CCCCCCOC(CN)C(=O)OC 34a_100000695228_100000210314 [0,2,0,0,0,0|1,0,0]=3 14252 B13R0.60 CCCCCCOC(CO)C(=O)OC 34a_100000210259_100012276630 [0,2,0,0,0,0|1,0,0]=3 14253 B13R0.60 CCCCCCOC(OC)C(=O)OC 34a_100000036821_100000210314 [0,2,0,0,0,0|1,0,0]=3 14254 B13R0.60 CCCCCCOC(OC)C(=O)OC 34a_100000210259_100000101307 [0,2,0,0,0,0|1,0,0]=3 14255 B13R0.60 CCCCCCSC(C=O)C(=O)OC 62a_100000046368_100000210757 [0,2,0,0,0,0|1,0,0]=3 14256 B13R0.60 CCCCCCSC(C=O)C(=O)OC 62a_100000210314_100000046368 [0,2,0,0,0,0|1,0,0]=3 14257 B13R0.60 CCCCCCSC(CC)C(=O)OC 62a_100000210314_100000235869 [0,2,0,0,0,0|1,0,0]=3 14258 B13R0.60 CCCCCCSC(CC)C(=O)OC 62a_100000235869_100000210757 [0,2,0,0,0,0|1,0,0]=3 14259 B13R0.60 CCCCCCSC(CO)C(=O)OC 62a_100000210314_100012276630 [0,2,0,0,0,0|1,0,0]=3 14260 B13R0.60 CCCCCCSC(CO)C(=O)OC 62a_100012276630_100000210757 [0,2,0,0,0,0|1,0,0]=3 14261 B13R0.60 CCCCCCSC(OC)C(=O)OC 62a_100000101307_100000210757 [0,2,0,0,0,0|1,0,0]=3 14262 B13R0.60 CCCCCCSC(OC)C(=O)OC 62a_100000210314_100000101307 [0,2,0,0,0,0|1,0,0]=3 14263 B13R0.60 CCCCOCOC(CC)C(=O)OC 34a_100000695916_100011995733 [0,2,0,0,0,0|2,0,0]=4 14264 B13R0.60 CCCCOCOC(CN)C(=O)OC 34a_100000695228_100011995733 [0,2,0,0,0,0|2,0,0]=4 14265 B13R0.60 CCCCOCOC(OC)C(=O)OC 34a_100000036821_100011995733 [0,2,0,0,0,0|2,0,0]=4 14266 B13R0.60 CCCCOCSC(C=O)C(=O)OC 62a_100000046368_100011995733 [0,2,0,0,0,0|2,0,0]=4 14267 B13R0.60 CCCCOCSC(C=O)C(=O)OC 62a_100011995733_100000046368 [0,2,0,0,0,0|2,0,0]=4 14268 B13R0.60 CCCCOCSC(CC)C(=O)OC 62a_100000235869_100011995733 [0,2,0,0,0,0|2,0,0]=4 14269 B13R0.60 CCCCOCSC(CC)C(=O)OC 62a_100011995733_100000235869 [0,2,0,0,0,0|2,0,0]=4 14270 B13R0.60 CCCCOCSC(CO)C(=O)OC 62a_100011995733_100012276630 [0,2,0,0,0,0|2,0,0]=4 14271 B13R0.60 CCCCOCSC(CO)C(=O)OC 62a_100012276630_100011995733 [0,2,0,0,0,0|2,0,0]=4 14272 B13R0.60 CCCCOCSC(OC)C(=O)OC 62a_100000101307_100011995733 [0,2,0,0,0,0|2,0,0]=4 14273 B13R0.60 CCCCOCSC(OC)C(=O)OC 62a_100011995733_100000101307 [0,2,0,0,0,0|2,0,0]=4 14274 B13R0.60 CCCOCCNC(C=O)C(=O)OC 34a_100161115042_100000046368 [0,2,0,0,0,0|2,0,0]=4 14275 B13R0.60 CCCOCCNC(CC)C(=O)OC 2230a_100161115042_100000235869 [0,2,0,0,0,0|2,0,0]=4 14276 B13R0.60 CCCOCCNC(CC)C(=O)OC 34a_100161115042_100000235869 [0,2,0,0,0,0|2,0,0]=4 14277 B13R0.60 CCCOCCNC(CO)C(=O)OC 34a_100161115042_100012276630 [0,2,0,0,0,0|2,0,0]=4 14278 B13R0.60 CCCOCCNC(OC)C(=O)OC 34a_100161115042_100000101307 [0,2,0,0,0,0|2,0,0]=4 14279 B13R0.60 CCCOCCOC(C=O)C(=O)OC 34a_100000752267_100000046368 [0,2,0,0,0,0|2,0,0]=4 14280 B13R0.60 CCCOCCOC(CC)C(=O)OC 34a_100000695916_100011215938 [0,2,0,0,0,0|2,0,0]=4 14281 B13R0.60 CCCOCCOC(CC)C(=O)OC 34a_100000752267_100000235869 [0,2,0,0,0,0|2,0,0]=4 14282 B13R0.60 CCCOCCOC(CC)C(=O)OC 7a_100000695916_100011215938 [0,2,0,0,0,0|2,0,0]=4 14283 B13R0.60 CCCOCCOC(CC)C(=O)OC 7a_100000752267_100000742303 [0,2,0,0,0,0|2,0,0]=4 14284 B13R0.60 CCCOCCOC(CN)C(=O)OC 34a_100000695228_100011215938 [0,2,0,0,0,0|2,0,0]=4 14285 B13R0.60 CCCOCCOC(CO)C(=O)OC 34a_100000752267_100012276630 [0,2,0,0,0,0|2,0,0]=4 14286 B13R0.60 CCCOCCOC(OC)C(=O)OC 34a_100000036821_100011215938 [0,2,0,0,0,0|2,0,0]=4 14287 B13R0.60 CCCOCCOC(OC)C(=O)OC 34a_100000752267_100000101307 [0,2,0,0,0,0|2,0,0]=4 14288 B13R0.60 CCCOCCSC(C=O)C(=O)OC 62a_100000046368_100011215938 [0,2,0,0,0,0|2,0,0]=4 14289 B13R0.60 CCCOCCSC(C=O)C(=O)OC 62a_100011215938_100000046368 [0,2,0,0,0,0|2,0,0]=4 14290 B13R0.60 CCCOCCSC(CC)C(=O)OC 62a_100000235869_100011215938 [0,2,0,0,0,0|2,0,0]=4 14291 B13R0.60 CCCOCCSC(CC)C(=O)OC 62a_100011215938_100000235869 [0,2,0,0,0,0|2,0,0]=4 14292 B13R0.60 CCCOCCSC(CO)C(=O)OC 62a_100011215938_100012276630 [0,2,0,0,0,0|2,0,0]=4 14293 B13R0.60 CCCOCCSC(CO)C(=O)OC 62a_100012276630_100011215938 [0,2,0,0,0,0|2,0,0]=4 14294 B13R0.60 CCCOCCSC(OC)C(=O)OC 62a_100000101307_100011215938 [0,2,0,0,0,0|2,0,0]=4 14295 B13R0.60 CCCOCCSC(OC)C(=O)OC 62a_100011215938_100000101307 [0,2,0,0,0,0|2,0,0]=4 14296 B13R0.60 CCCSCCNC(CC)C(=O)OC 2230a_100020603323_100000235869 [0,2,0,0,0,0|2,0,0]=4 14297 B13R0.60 CCCSCCOC(C=O)C(=O)OC 34a_200000230433_100000046368 [0,2,0,0,0,0|2,0,0]=4 14298 B13R0.60 CCCSCCOC(CC)C(=O)OC 34a_200000230433_100000235869 [0,2,0,0,0,0|2,0,0]=4 14299 B13R0.60 CCCSCCOC(CC)C(=O)OC 7a_200000230433_100000742303 [0,2,0,0,0,0|2,0,0]=4 14300 B13R0.60 CCCSCCOC(CO)C(=O)OC 34a_200000230433_100012276630 [0,2,0,0,0,0|2,0,0]=4 14301 B13R0.60 CCCSCCOC(OC)C(=O)OC 34a_200000230433_100000101307 [0,2,0,0,0,0|2,0,0]=4 14302 B13R0.60 CCOCCCNC(C=O)C(=O)OC 34a_100000210961_100000046368 [0,2,0,0,0,0|2,0,0]=4 14303 B13R0.60 CCOCCCNC(CC)C(=O)OC 2230a_100000210961_100000235869 [0,2,0,0,0,0|2,0,0]=4 14304 B13R0.60 CCOCCCNC(CC)C(=O)OC 34a_100000210961_100000235869 [0,2,0,0,0,0|2,0,0]=4 14305 B13R0.60 CCOCCCNC(CO)C(=O)OC 34a_100000210961_100012276630 [0,2,0,0,0,0|2,0,0]=4 14306 B13R0.60 CCOCCCNC(OC)C(=O)OC 34a_100000210961_100000101307 [0,2,0,0,0,0|2,0,0]=4 14307 B13R0.60 CCOCCCOC(C=O)C(=O)OC 34a_100000757476_100000046368 [0,2,0,0,0,0|2,0,0]=4 14308 B13R0.60 CCOCCCOC(CC)C(=O)OC 34a_100000695916_100012232248 [0,2,0,0,0,0|2,0,0]=4 14309 B13R0.60 CCOCCCOC(CC)C(=O)OC 34a_100000757476_100000235869 [0,2,0,0,0,0|2,0,0]=4 14310 B13R0.60 CCOCCCOC(CC)C(=O)OC 7a_100000695916_100012232248 [0,2,0,0,0,0|2,0,0]=4 14311 B13R0.60 CCOCCCOC(CC)C(=O)OC 7a_100000757476_100000742303 [0,2,0,0,0,0|2,0,0]=4 14312 B13R0.60 CCOCCCOC(CN)C(=O)OC 34a_100000695228_100012232248 [0,2,0,0,0,0|2,0,0]=4 14313 B13R0.60 CCOCCCOC(CO)C(=O)OC 34a_100000757476_100012276630 [0,2,0,0,0,0|2,0,0]=4 14314 B13R0.60 CCOCCCOC(OC)C(=O)OC 34a_100000036821_100012232248 [0,2,0,0,0,0|2,0,0]=4 14315 B13R0.60 CCOCCCOC(OC)C(=O)OC 34a_100000757476_100000101307 [0,2,0,0,0,0|2,0,0]=4 14316 B13R0.60 CCOCCCSC(C=O)C(=O)OC 62a_100000046368_100012232248 [0,2,0,0,0,0|2,0,0]=4 14317 B13R0.60 CCOCCCSC(C=O)C(=O)OC 62a_100012232248_100000046368 [0,2,0,0,0,0|2,0,0]=4 14318 B13R0.60 CCOCCCSC(CC)C(=O)OC 62a_100000235869_100012232248 [0,2,0,0,0,0|2,0,0]=4 14319 B13R0.60 CCOCCCSC(CC)C(=O)OC 62a_100012232248_100000235869 [0,2,0,0,0,0|2,0,0]=4 14320 B13R0.60 CCOCCCSC(CO)C(=O)OC 62a_100012232248_100012276630 [0,2,0,0,0,0|2,0,0]=4 14321 B13R0.60 CCOCCCSC(CO)C(=O)OC 62a_100012276630_100012232248 [0,2,0,0,0,0|2,0,0]=4 14322 B13R0.60 CCOCCCSC(OC)C(=O)OC 62a_100000101307_100012232248 [0,2,0,0,0,0|2,0,0]=4 14323 B13R0.60 CCOCCCSC(OC)C(=O)OC 62a_100012232248_100000101307 [0,2,0,0,0,0|2,0,0]=4 14324 B13R0.60 CCSCCCOC(C=O)C(=O)OC 34a_100011216438_100000046368 [0,2,0,0,0,0|2,0,0]=4 14325 B13R0.60 CCSCCCOC(CC)C(=O)OC 34a_100011216438_100000235869 [0,2,0,0,0,0|2,0,0]=4 14326 B13R0.60 CCSCCCOC(CC)C(=O)OC 7a_100011216438_100000742303 [0,2,0,0,0,0|2,0,0]=4 14327 B13R0.60 CCSCCCOC(CO)C(=O)OC 34a_100011216438_100012276630 [0,2,0,0,0,0|2,0,0]=4 14328 B13R0.60 CCSCCCOC(OC)C(=O)OC 34a_100011216438_100000101307 [0,2,0,0,0,0|2,0,0]=4 14329 B13R0.60 COC(=O)C(C=O)NCCCCCO 34a_100000762737_100000046368 [0,2,0,0,0,0|2,0,0]=4 14330 B13R0.60 COC(=O)C(C=O)OCCCCCBr 34a_100000746331_100000046368 [0,2,0,0,0,0|2,0,0]=4 14331 B13R0.60 COC(=O)C(C=O)OCCCCCCl 34a_100000746330_100000046368 [0,2,0,0,0,0|2,0,0]=4 14332 B13R0.60 COC(=O)C(C=O)OCCCCCI 34a_200012148887_100000046368 [0,2,0,0,0,0|2,0,0]=4 14333 B13R0.60 COC(=O)C(C=O)OCCCCCN 34a_100000762737_100000046368 [0,2,0,0,0,0|2,0,0]=4 14334 B13R0.60 COC(=O)C(C=O)OCCCCSC 34a_100011217163_100000046368 [0,2,0,0,0,0|2,0,0]=4 14335 B13R0.60 COC(=O)C(C=O)SCCCCCF 62a_100000046368_100000729378 [0,2,0,0,0,0|2,0,0]=4 14336 B13R0.60 COC(=O)C(C=O)SCCCCCF 62a_100000729378_100000046368 [0,2,0,0,0,0|2,0,0]=4 14337 B13R0.60 COC(=O)C(C=O)SCCCCCO 62a_100000046368_100000746330 [0,2,0,0,0,0|2,0,0]=4 14338 B13R0.60 COC(=O)C(C=O)SCCCCCO 62a_100000746330_100000046368 [0,2,0,0,0,0|2,0,0]=4 14339 B13R0.60 COC(=O)C(CN)OCCCCCF 34a_100000695228_100000729378 [0,2,0,0,0,0|2,0,0]=4 14340 B13R0.60 COC(=O)C(CN)OCCCCCO 34a_100000695228_100000746330 [0,2,0,0,0,0|2,0,0]=4 14341 B13R0.60 COC(=O)C(CO)NCCCCCO 34a_100000762737_100012276630 [0,2,0,0,0,0|2,0,0]=4 14342 B13R0.60 COC(=O)C(CO)OCCCCCBr 34a_100000746331_100012276630 [0,2,0,0,0,0|2,0,0]=4 14343 B13R0.60 COC(=O)C(CO)OCCCCCCl 34a_100000746330_100012276630 [0,2,0,0,0,0|2,0,0]=4 14344 B13R0.60 COC(=O)C(CO)OCCCCCI 34a_200012148887_100012276630 [0,2,0,0,0,0|2,0,0]=4 14345 B13R0.60 COC(=O)C(CO)OCCCCCN 34a_100000762737_100012276630 [0,2,0,0,0,0|2,0,0]=4 14346 B13R0.60 COC(=O)C(CO)OCCCCSC 34a_100011217163_100012276630 [0,2,0,0,0,0|2,0,0]=4 14347 B13R0.60 COC(=O)C(CO)SCCCCCF 62a_100000729378_100012276630 [0,2,0,0,0,0|2,0,0]=4 14348 B13R0.60 COC(=O)C(CO)SCCCCCF 62a_100012276630_100000729378 [0,2,0,0,0,0|2,0,0]=4 14349 B13R0.60 COC(=O)C(CO)SCCCCCO 62a_100000746330_100012276630 [0,2,0,0,0,0|2,0,0]=4 14350 B13R0.60 COC(=O)C(CO)SCCCCCO 62a_100012276630_100000746330 [0,2,0,0,0,0|2,0,0]=4 14351 B13R0.60 COC(=O)C(NCCCCCO)OC 34a_100000762737_100000101307 [0,2,0,0,0,0|2,0,0]=4 14352 B13R0.60 COC(=O)C(OC)OCCCCCBr 34a_100000746331_100000101307 [0,2,0,0,0,0|2,0,0]=4 14353 B13R0.60 COC(=O)C(OC)OCCCCCCl 34a_100000746330_100000101307 [0,2,0,0,0,0|2,0,0]=4 14354 B13R0.60 COC(=O)C(OC)OCCCCCF 34a_100000036821_100000729378 [0,2,0,0,0,0|2,0,0]=4 14355 B13R0.60 COC(=O)C(OC)OCCCCCI 34a_200012148887_100000101307 [0,2,0,0,0,0|2,0,0]=4 14356 B13R0.60 COC(=O)C(OC)OCCCCCN 34a_100000762737_100000101307 [0,2,0,0,0,0|2,0,0]=4 14357 B13R0.60 COC(=O)C(OC)OCCCCCO 34a_100000036821_100000746330 [0,2,0,0,0,0|2,0,0]=4 14358 B13R0.60 COC(=O)C(OC)OCCCCSC 34a_100011217163_100000101307 [0,2,0,0,0,0|2,0,0]=4 14359 B13R0.60 COC(=O)C(OC)SCCCCCF 62a_100000101307_100000729378 [0,2,0,0,0,0|2,0,0]=4 14360 B13R0.60 COC(=O)C(OC)SCCCCCF 62a_100000729378_100000101307 [0,2,0,0,0,0|2,0,0]=4 14361 B13R0.60 COC(=O)C(OC)SCCCCCO 62a_100000101307_100000746330 [0,2,0,0,0,0|2,0,0]=4 14362 B13R0.60 COC(=O)C(OC)SCCCCCO 62a_100000746330_100000101307 [0,2,0,0,0,0|2,0,0]=4 14363 B13R0.60 COCCCCOC(C=O)C(=O)OC 34a_100000740925_100000046368 [0,2,0,0,0,0|2,0,0]=4 14364 B13R0.60 COCCCCOC(CN)C(=O)OC 34a_100000695228_100000755781 [0,2,0,0,0,0|2,0,0]=4 14365 B13R0.60 COCCCCOC(CO)C(=O)OC 34a_100000740925_100012276630 [0,2,0,0,0,0|2,0,0]=4 14366 B13R0.60 COCCCCOC(OC)C(=O)OC 34a_100000036821_100000755781 [0,2,0,0,0,0|2,0,0]=4 14367 B13R0.60 COCCCCOC(OC)C(=O)OC 34a_100000740925_100000101307 [0,2,0,0,0,0|2,0,0]=4 14368 B13R0.60 COCCCCSC(C=O)C(=O)OC 62a_100000046368_100000730899 [0,2,0,0,0,0|2,0,0]=4 14369 B13R0.60 COCCCCSC(C=O)C(=O)OC 62a_100000730899_100000046368 [0,2,0,0,0,0|2,0,0]=4 14370 B13R0.60 COCCCCSC(CO)C(=O)OC 62a_100000730899_100012276630 [0,2,0,0,0,0|2,0,0]=4 14371 B13R0.60 COCCCCSC(CO)C(=O)OC 62a_100012276630_100000730899 [0,2,0,0,0,0|2,0,0]=4 14372 B13R0.60 COCCCCSC(OC)C(=O)OC 62a_100000101307_100000730899 [0,2,0,0,0,0|2,0,0]=4 14373 B13R0.60 COCCCCSC(OC)C(=O)OC 62a_100000730899_100000101307 [0,2,0,0,0,0|2,0,0]=4 14374 B13R0.101 C=C(C)CCOCCC(C)C(=O)OC 34a_100000764851_100000034942 [0,2,0,0,0,0|1,0,1]=4 14375 B13R0.101 C=C(C)CCSCCC(C)C(=O)OC 62a_100000034942_100000730704 [0,2,0,0,0,0|1,0,1]=4 14376 B13R0.101 C=C(C)CCSCCC(C)C(=O)OC 62a_100000730704_100000034942 [0,2,0,0,0,0|1,0,1]=4 14377 B13R0.101 C=C(CNCCCC(C)C)C(=O)OC 34a_200000737386_100009813391 [0,2,0,0,0,0|1,0,1]=4 14378 B13R0.101 C=C(COCCCC(C)C)C(=O)OC 34a_100000210774_100009813391 [0,2,0,0,0,0|1,0,1]=4 14379 B13R0.101 C=C(CSCCCC(C)C)C(=O)OC 62a_100009813391_100011214892 [0,2,0,0,0,0|1,0,1]=4 14380 B13R0.101 C=C(CSCCCC(C)C)C(=O)OC 62a_100011214892_100009813391 [0,2,0,0,0,0|1,0,1]=4 14381 B13R0.101 C=C(CSCCCC(C)O)C(=O)OC 62a_100009813391_200000718107 [0,2,0,0,0,0|1,0,1]=4 14382 B13R0.101 C=C(CSCCCC(C)O)C(=O)OC 62a_200000718107_100009813391 [0,2,0,0,0,0|1,0,1]=4 14383 B13R0.101 CCC(=O)C(C)OCCCCC(C)C 7a_100011214890_100000742827 [0,2,0,0,0,0|2,0,0]=4 14384 B13R0.101 CCC(=O)C(C)SCCCCC(C)C 62a_100000742827_100011216152 [0,2,0,0,0,0|2,0,0]=4 14385 B13R0.101 CCC(=O)C(C)SCCCCC(C)C 62a_100011216152_100000742827 [0,2,0,0,0,0|2,0,0]=4 14386 B13R0.101 CNC(=O)C(=O)CCCCCC(C)C 1458a_100011218921_100000210682 [0,2,0,0,0,0|1,0,1]=4 14387 B13R0.101 CNC(=O)C(C)CNCCCC(C)C 2230a_100015187722_100011214892 [0,2,0,0,0,0|2,0,0]=4 14388 B13R0.101 CNC(=O)C(C)CNCCCC(C)C 34a_100015187722_100011214892 [0,2,0,0,0,0|2,0,0]=4 14389 B13R0.101 CNC(=O)C(C)CNCCCC(C)O 2230a_100015187722_200000718107 [0,2,0,0,0,0|2,0,0]=4 14390 B13R0.101 CNC(=O)C(C)CNCCCC(C)O 34a_100015187722_200000718107 [0,2,0,0,0,0|2,0,0]=4 14391 B13R0.101 CNC(=O)C(C)OCCCCC(C)C 34a_100011214890_100000731044 [0,2,0,0,0,0|2,0,0]=4 14392 B13R0.101 CNC(=O)C(C)OCCCCC(C)C 7a_100011214890_100000209862 [0,2,0,0,0,0|2,0,0]=4 14393 B13R0.101 CNC(=O)C(C)SCCCCC(C)C 62a_100000209862_100011216152 [0,2,0,0,0,0|2,0,0]=4 14394 B13R0.101 CNC(=O)C(C)SCCCCC(C)C 62a_100011216152_100000731044 [0,2,0,0,0,0|2,0,0]=4 14395 B13R0.101 CNC(=O)C(F)OCCCCC(C)C 34a_100011214890_100009813575 [0,2,0,0,0,0|2,0,0]=4 14396 B13R0.101 CNC(=O)C(F)OCCCCC(C)C 7a_100011214890_100009813575 [0,2,0,0,0,0|2,0,0]=4 14397 B13R0.101 CNC(=O)C(F)SCCCCC(C)C 62a_100009813575_100011216152 [0,2,0,0,0,0|2,0,0]=4 14398 B13R0.101 CNC(=O)C(F)SCCCCC(C)C 62a_100011216152_100009813575 [0,2,0,0,0,0|2,0,0]=4 14399 B13R0.101 CNC(=O)[C@@H](C)NCCCCC(C)C 2230a_100000684985_100011216152 [0,2,0,0,0,0|2,0,0]=4 14400 B13R0.101 CNC(=O)[C@@H](C)NCCCCC(C)C 34a_100000684985_100011216152 [0,2,0,0,0,0|2,0,0]=4 14401 B13R0.101 COC(=O)C(=O)CNCCCC(C)C 34a_200000737386_100011610305 [0,2,0,0,0,0|1,0,1]=4 14402 B13R0.101 COC(=O)C(=O)COCCCC(C)C 34a_100000210774_100011610305 [0,2,0,0,0,0|1,0,1]=4 14403 B13R0.101 COC(=O)C(=O)CSCCCC(C)C 62a_100011214892_100011610305 [0,2,0,0,0,0|1,0,1]=4 14404 B13R0.101 COC(=O)C(=O)CSCCCC(C)C 62a_100011610305_100011214892 [0,2,0,0,0,0|1,0,1]=4 14405 B13R0.101 COC(=O)C(=O)CSCCCC(C)O 62a_100011610305_200000718107 [0,2,0,0,0,0|1,0,1]=4 14406 B13R0.101 COC(=O)C(=O)CSCCCC(C)O 62a_200000718107_100011610305 [0,2,0,0,0,0|1,0,1]=4 14407 B13R0.101 COC(=O)C(C)CCNCCC(C)O 2230a_200000755665_100000034942 [0,2,0,0,0,0|1,0,0]=3 14408 B13R0.101 COC(=O)C(C)CCOCCC(=O)C 34a_100000759926_100000034942 [0,2,0,0,0,0|1,0,1]=4 14409 B13R0.101 COC(=O)C(C)CCOCCC(=O)C 7a_100000759926_100000034942 [0,2,0,0,0,0|1,0,1]=4 14410 B13R0.101 COC(=O)C(C)CCOCCC(C)Br 34a_100009893172_100000034942 [0,2,0,0,0,0|1,0,0]=3 14411 B13R0.101 COC(=O)C(C)CCOCCC(C)C 34a_100000210254_100000034942 [0,2,0,0,0,0|1,0,0]=3 14412 B13R0.101 COC(=O)C(C)CCOCCC(C)C 7a_100000210254_100000034942 [0,2,0,0,0,0|1,0,0]=3 14413 B13R0.101 COC(=O)C(C)CCOCCC(F)F 34a_100103093639_100000034942 [0,2,0,0,0,0|2,0,0]=4 14414 B13R0.101 COC(=O)C(C)CCOCC[C@@H](C)N 34a_100000706166_100000034942 [0,2,0,0,0,0|1,0,0]=3 14415 B13R0.101 COC(=O)C(C)CCSCCC(=O)C 62a_100000034942_100000053229 [0,2,0,0,0,0|1,0,1]=4 14416 B13R0.101 COC(=O)C(C)CCSCCC(=O)C 62a_100000053229_100000034942 [0,2,0,0,0,0|1,0,1]=4 14417 B13R0.101 COC(=O)C(C)CCSCCC(C)C 62a_100000034942_100000210312 [0,2,0,0,0,0|1,0,0]=3 14418 B13R0.101 COC(=O)C(C)CCSCCC(C)C 62a_100000210312_100000034942 [0,2,0,0,0,0|1,0,0]=3 14419 B13R0.101 COC(=O)C(C)CCSCCC(C)O 62a_100000034942_100012276601 [0,2,0,0,0,0|1,0,0]=3 14420 B13R0.101 COC(=O)C(C)CCSCCC(C)O 62a_100012276601_100000034942 [0,2,0,0,0,0|1,0,0]=3 14421 B13R0.101 COC(=O)C(C)CCSCCN(C)C 62a_100000034942_100000755713 [0,2,0,0,0,0|2,0,0]=4 14422 B13R0.101 COC(=O)C(C)CCSCOC(C)C 62a_100000034942_100000709892 [0,2,0,0,0,0|2,0,0]=4 14423 B13R0.101 COC(=O)C(C)CCSCOC(C)C 62a_100000709892_100000034942 [0,2,0,0,0,0|2,0,0]=4 14424 B13R0.101 COC(=O)C(C)CNCCCC(C)C 34a_200000737386_100000698445 [0,2,0,0,0,0|1,0,0]=3 14425 B13R0.101 COC(=O)C(C)CNCCOC(C)C 34a_100000701111_100000698445 [0,2,0,0,0,0|2,0,0]=4 14426 B13R0.101 COC(=O)C(C)CNCCSC(C)C 34a_100000731138_100000698445 [0,2,0,0,0,0|2,0,0]=4 14427 B13R0.101 COC(=O)C(C)COCCCC(=O)C 34a_100000749362_100000685027 [0,2,0,0,0,0|1,0,1]=4 14428 B13R0.101 COC(=O)C(C)COCCCC(=O)C 34a_100000759063_100000698445 [0,2,0,0,0,0|1,0,1]=4 14429 B13R0.101 COC(=O)C(C)COCCCC(=O)C 7a_100000749362_100011215641 [0,2,0,0,0,0|1,0,1]=4 14430 B13R0.101 COC(=O)C(C)COCCCC(C)C 34a_100000210774_100000698445 [0,2,0,0,0,0|1,0,0]=3 14431 B13R0.101 COC(=O)C(C)COCCCC(C)C 34a_100000749362_100011214892 [0,2,0,0,0,0|1,0,0]=3 14432 B13R0.101 COC(=O)C(C)COCCCC(C)C 7a_100000749362_100011214892 [0,2,0,0,0,0|1,0,0]=3 14433 B13R0.101 COC(=O)C(C)COCCCC(C)O 34a_100000749362_200000718107 [0,2,0,0,0,0|1,0,0]=3 14434 B13R0.101 COC(=O)C(C)COCCCC(C)O 7a_100000749362_200000718107 [0,2,0,0,0,0|1,0,0]=3 14435 B13R0.101 COC(=O)C(C)COCCCN(C)C 7a_100000749362_100000757444 [0,2,0,0,0,0|2,0,0]=4 14436 B13R0.101 COC(=O)C(C)COCCNC(C)C 34a_100000224655_100000698445 [0,2,0,0,0,0|2,0,0]=4 14437 B13R0.101 COC(=O)C(C)COCCOC(C)C 34a_100000211219_100000698445 [0,2,0,0,0,0|2,0,0]=4 14438 B13R0.101 COC(=O)C(C)COCCOC(C)C 34a_100000749362_100000211751 [0,2,0,0,0,0|2,0,0]=4 14439 B13R0.101 COC(=O)C(C)COCCOC(C)C 7a_100000749362_100000211751 [0,2,0,0,0,0|2,0,0]=4 14440 B13R0.101 COC(=O)C(C)COCCSC(C)C 34a_100000749362_100000730970 [0,2,0,0,0,0|2,0,0]=4 14441 B13R0.101 COC(=O)C(C)COCCSC(C)C 34a_200011212901_100000698445 [0,2,0,0,0,0|2,0,0]=4 14442 B13R0.101 COC(=O)C(C)COCCSC(C)C 7a_100000749362_100000730970 [0,2,0,0,0,0|2,0,0]=4 14443 B13R0.101 COC(=O)C(C)CSCCCC(=O)C 62a_100000698445_100011215641 [0,2,0,0,0,0|1,0,1]=4 14444 B13R0.101 COC(=O)C(C)CSCCCC(=O)C 62a_100011215641_100000698445 [0,2,0,0,0,0|1,0,1]=4 14445 B13R0.101 COC(=O)C(C)CSCCCC(C)C 62a_100000698445_100011214892 [0,2,0,0,0,0|1,0,0]=3 14446 B13R0.101 COC(=O)C(C)CSCCCC(C)C 62a_100011214892_100000698445 [0,2,0,0,0,0|1,0,0]=3 14447 B13R0.101 COC(=O)C(C)CSCCCC(C)O 62a_100000698445_200000718107 [0,2,0,0,0,0|1,0,0]=3 14448 B13R0.101 COC(=O)C(C)CSCCCC(C)O 62a_200000718107_100000698445 [0,2,0,0,0,0|1,0,0]=3 14449 B13R0.101 COC(=O)C(C)CSCCCN(C)C 62a_100000698445_100000757444 [0,2,0,0,0,0|2,0,0]=4 14450 B13R0.101 COC(=O)C(C)CSCCOC(C)C 62a_100000211751_100000698445 [0,2,0,0,0,0|2,0,0]=4 14451 B13R0.101 COC(=O)C(C)CSCCOC(C)C 62a_100000698445_100000211751 [0,2,0,0,0,0|2,0,0]=4 14452 B13R0.101 COC(=O)C(C)CSCCSC(C)C 62a_100000698445_100000730970 [0,2,0,0,0,0|2,0,0]=4 14453 B13R0.101 COC(=O)C(C)CSCCSC(C)C 62a_100000730970_100000698445 [0,2,0,0,0,0|2,0,0]=4 14454 B13R0.101 COC(=O)C(C)NCCCOC(C)C 2230a_100000737246_100000211248 [0,2,0,0,0,0|2,0,0]=4 14455 B13R0.101 COC(=O)C(C)NCCCOC(C)C 34a_100000737246_100000211248 [0,2,0,0,0,0|2,0,0]=4 14456 B13R0.101 COC(=O)C(C)OCCCCC(=O)C 34a_100011215400_100009817362 [0,2,0,0,0,0|1,0,1]=4 14457 B13R0.101 COC(=O)C(C)OCCCCC(C)C 34a_100011214890_100000211248 [0,2,0,0,0,0|1,0,0]=3 14458 B13R0.101 COC(=O)C(C)OCCCCC(C)C 34a_100011215400_100011216152 [0,2,0,0,0,0|1,0,0]=3 14459 B13R0.101 COC(=O)C(C)OCCCCC(C)C 7a_100011214890_100000211248 [0,2,0,0,0,0|1,0,0]=3 14460 B13R0.101 COC(=O)C(C)OCCCNC(C)C 34a_100000182298_100000211248 [0,2,0,0,0,0|2,0,0]=4 14461 B13R0.101 COC(=O)C(C)OCCNCC(C)C 34a_100015185251_100000211248 [0,2,0,0,0,0|2,0,0]=4 14462 B13R0.101 COC(=O)C(C)OCCOCC(C)C 34a_100000703358_100000211248 [0,2,0,0,0,0|2,0,0]=4 14463 B13R0.101 COC(=O)C(C)OCCOCC(C)C 7a_100000703358_100000211248 [0,2,0,0,0,0|2,0,0]=4 14464 B13R0.101 COC(=O)C(C)OCCSCC(C)C 34a_200000230437_100000211248 [0,2,0,0,0,0|2,0,0]=4 14465 B13R0.101 COC(=O)C(C)OCCSCC(C)C 7a_200000230437_100000211248 [0,2,0,0,0,0|2,0,0]=4 14466 B13R0.101 COC(=O)C(C)SCCCCC(=O)C 62a_100000211248_100000735457 [0,2,0,0,0,0|1,0,1]=4 14467 B13R0.101 COC(=O)C(C)SCCCCC(=O)C 62a_100000735457_100000211248 [0,2,0,0,0,0|1,0,1]=4 14468 B13R0.101 COC(=O)C(C)SCCCCC(C)C 62a_100000211248_100011216152 [0,2,0,0,0,0|1,0,0]=3 14469 B13R0.101 COC(=O)C(C)SCCCCC(C)C 62a_100011216152_100000211248 [0,2,0,0,0,0|1,0,0]=3 14470 B13R0.101 COC(=O)C(C)SCCCCN(C)C 62a_100000211248_100000690147 [0,2,0,0,0,0|2,0,0]=4 14471 B13R0.101 COC(=O)C(F)COCCCC(=O)C 34a_200009849844_100000685027 [0,2,0,0,0,0|1,0,1]=4 14472 B13R0.101 COC(=O)C(F)COCCCC(C)C 34a_200009849844_100011214892 [0,2,0,0,0,0|1,0,0]=3 14473 B13R0.101 COC(=O)C(F)COCCCC(C)O 34a_200009849844_200000718107 [0,2,0,0,0,0|1,0,0]=3 14474 B13R0.101 COC(=O)C(F)COCCOC(C)C 34a_200009849844_100000211751 [0,2,0,0,0,0|2,0,0]=4 14475 B13R0.101 COC(=O)C(F)COCCSC(C)C 34a_200009849844_100000730970 [0,2,0,0,0,0|2,0,0]=4 14476 B13R0.101 COC(=O)[C@H](N)COCCCC(=O)C 34a_100000003586_100000685027 [0,2,0,0,0,0|1,0,1]=4 14477 B13R0.101 COC(=O)[C@H](N)COCCCC(C)C 34a_100000003586_100011214892 [0,2,0,0,0,0|1,0,0]=3 14478 B13R0.101 COC(=O)[C@H](N)COCCCC(C)O 34a_100000003586_200000718107 [0,2,0,0,0,0|1,0,0]=3 14479 B13R0.101 COC(=O)[C@H](N)COCCOC(C)C 34a_100000003586_100000211751 [0,2,0,0,0,0|2,0,0]=4 14480 B13R0.101 COC(=O)[C@H](N)COCCSC(C)C 34a_100000003586_100000730970 [0,2,0,0,0,0|2,0,0]=4 14481 B13R0.131 C=C(COC(C)CCCC)C(=O)OC 34a_100000687866_100009813391 [0,2,0,0,0,0|1,0,1]=4 14482 B13R0.131 C=C(CSC(C)CCCC)C(=O)OC 62a_100009813391_200011215066 [0,2,0,0,0,0|1,0,1]=4 14483 B13R0.131 C=C(CSC(C)CCCC)C(=O)OC 62a_200011215066_100009813391 [0,2,0,0,0,0|1,0,1]=4 14484 B13R0.131 CCCCC(=O)CCC(C)C(=O)OC 1458a_100000210183_100000034942 [0,2,0,0,0,0|0,0,1]=3 14485 B13R0.131 CCCCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000210183 [0,2,0,0,0,0|1,0,1]=4 14486 B13R0.131 CCCCC(C)COC(C)C(=O)CC 7a_100011995851_100000742827 [0,2,0,0,0,0|2,0,0]=4 14487 B13R0.131 CCCCC(C)COC(C)C(=O)NC 34a_100011995851_100000731044 [0,2,0,0,0,0|2,0,0]=4 14488 B13R0.131 CCCCC(C)COC(C)C(=O)NC 7a_100011995851_100000209862 [0,2,0,0,0,0|2,0,0]=4 14489 B13R0.131 CCCCC(C)COC(C)C(=O)OC 34a_100011995851_100000211248 [0,2,0,0,0,0|1,0,0]=3 14490 B13R0.131 CCCCC(C)COC(C)C(=O)OC 7a_100011995851_100000211248 [0,2,0,0,0,0|1,0,0]=3 14491 B13R0.131 CCCCC(C)COC(F)C(=O)NC 34a_100011995851_100009813575 [0,2,0,0,0,0|2,0,0]=4 14492 B13R0.131 CCCCC(C)COC(F)C(=O)NC 7a_100011995851_100009813575 [0,2,0,0,0,0|2,0,0]=4 14493 B13R0.131 CCCCC(C)NCC(C)C(=O)NC 2230a_100015187722_200011215066 [0,2,0,0,0,0|2,0,0]=4 14494 B13R0.131 CCCCC(C)NCC(C)C(=O)NC 270004a_100015187722_100000210087 [0,2,0,0,0,0|2,0,0]=4 14495 B13R0.131 CCCCC(C)NCC(C)C(=O)NC 34a_100015187722_200011215066 [0,2,0,0,0,0|2,0,0]=4 14496 B13R0.131 CCCCC(C)OCC(=O)C(=O)OC 34a_100000687866_100011610305 [0,2,0,0,0,0|1,0,1]=4 14497 B13R0.131 CCCCC(C)OCC(C)C(=O)OC 34a_100000687866_100000698445 [0,2,0,0,0,0|1,0,0]=3 14498 B13R0.131 CCCCC(C)OCC(C)C(=O)OC 34a_100000749362_200011215066 [0,2,0,0,0,0|1,0,0]=3 14499 B13R0.131 CCCCC(C)OCC(C)C(=O)OC 7a_100000749362_200011215066 [0,2,0,0,0,0|1,0,0]=3 14500 B13R0.131 CCCCC(C)OCC(F)C(=O)OC 34a_200009849844_200011215066 [0,2,0,0,0,0|1,0,0]=3 14501 B13R0.131 CCCCC(C)OC[C@@H](N)C(=O)OC 34a_100000003586_200011215066 [0,2,0,0,0,0|1,0,0]=3 14502 B13R0.131 CCCCC(C)SCC(=O)C(=O)OC 62a_100011610305_200011215066 [0,2,0,0,0,0|1,0,1]=4 14503 B13R0.131 CCCCC(C)SCC(=O)C(=O)OC 62a_200011215066_100011610305 [0,2,0,0,0,0|1,0,1]=4 14504 B13R0.131 CCCCC(C)SCC(C)C(=O)OC 62a_100000698445_200011215066 [0,2,0,0,0,0|1,0,0]=3 14505 B13R0.131 CCCCC(C)SCC(C)C(=O)OC 62a_200011215066_100000698445 [0,2,0,0,0,0|1,0,0]=3 14506 B13R0.131 CCCCN(C)CCC(C)C(=O)OC 2230a_100000207549_100000034942 [0,2,0,0,0,0|1,0,0]=3 14507 B13R0.131 CCCCN(C)CCC(C)C(=O)OC 269982a_100000207549_100000034942 [0,2,0,0,0,0|1,0,0]=3 14508 B13R0.131 CCCC[C@H](N)COC(C)C(=O)NC 34a_100011934283_100000731044 [0,2,0,0,0,0|2,0,0]=4 14509 B13R0.131 CCCC[C@H](N)COC(C)C(=O)OC 34a_100011934283_100000211248 [0,2,0,0,0,0|1,0,0]=3 14510 B13R0.131 CCCC[C@H](N)COC(F)C(=O)NC 34a_100011934283_100009813575 [0,2,0,0,0,0|2,0,0]=4 14511 B13R0.131 CCCOC(C)CNC(C)C(=O)OC 2230a_100015185124_100000211248 [0,2,0,0,0,0|2,0,0]=4 14512 B13R0.131 CCCOC(C)CNC(C)C(=O)OC 34a_100015185124_100000211248 [0,2,0,0,0,0|2,0,0]=4 14513 B13R0.131 CCOCC(=O)CCC(C)C(=O)OC 1458a_100000211967_100000034942 [0,2,0,0,0,0|1,0,1]=4 14514 B13R0.131 CCOCC(C)OCC(C)C(=O)OC 34a_100000718985_100000698445 [0,2,0,0,0,0|2,0,0]=4 14515 B13R0.131 CCOCC(O)CNC(C)C(=O)OC 2230a_102515437182_100000211248 [0,2,0,0,0,0|2,0,0]=4 14516 B13R0.131 CCOCC(O)CNC(C)C(=O)OC 34a_102515437182_100000211248 [0,2,0,0,0,0|2,0,0]=4 14517 B13R0.131 CCSCC(=O)CCC(C)C(=O)OC 1458a_100000230394_100000034942 [0,2,0,0,0,0|1,0,1]=4 14518 B13R0.131 COC(=O)C(C)CCC(=O)CCSC 1458a_100000174002_100000034942 [0,2,0,0,0,0|1,0,1]=4 14519 B13R0.131 COC(=O)C(C)CCN(C)CCCO 2230a_100000213112_100000034942 [0,2,0,0,0,0|2,0,0]=4 14520 B13R0.131 COC(=O)C(C)CCN(C)CCCO 269982a_100000213112_100000034942 [0,2,0,0,0,0|2,0,0]=4 14521 B13R0.131 COC(=O)C(C)CCN(C)CCSC 2230a_100000686725_100000034942 [0,2,0,0,0,0|2,0,0]=4 14522 B13R0.131 COC(=O)C(C)CCN(C)CCSC 269982a_100000686725_100000034942 [0,2,0,0,0,0|2,0,0]=4 14523 B13R0.131 COC(=O)C(C)COC(C)CCCCl 34a_200000718107_100000698445 [0,2,0,0,0,0|2,0,0]=4 14524 B13R0.131 COC(=O)C(C)NC[C@H](C)CCCO 2230a_100160569302_100000211248 [0,2,0,0,0,0|2,0,0]=4 14525 B13R0.131 COC(=O)C(C)NC[C@H](C)CCCO 34a_100160569302_100000211248 [0,2,0,0,0,0|2,0,0]=4 14526 B13R0.131 COC(=O)C(C)OC[C@@H](N)CCSC 34a_100011827619_100000211248 [0,2,0,0,0,0|2,0,0]=4 14527 B13R0.131 COCCC(=O)CCC(C)C(=O)OC 1458a_100000749529_100000034942 [0,2,0,0,0,0|1,0,1]=4 14528 B13R0.131 COCCN(C)CCC(C)C(=O)OC 2230a_100000743101_100000034942 [0,2,0,0,0,0|2,0,0]=4 14529 B13R0.131 COCCN(C)CCC(C)C(=O)OC 269982a_100000743101_100000034942 [0,2,0,0,0,0|2,0,0]=4 14530 B13R0.250 CCC(=O)C(C)OCCCC(C)CC 7a_100011216074_100000742827 [0,2,0,0,0,0|2,0,0]=4 14531 B13R0.250 CCC(=O)C(C)SCCCC(=O)OC 62a_100000742827_100011218270 [0,2,0,0,0,0|1,0,1]=4 14532 B13R0.250 CCC(=O)C(C)SCCCC(=O)OC 62a_100011218270_100000742827 [0,2,0,0,0,0|1,0,1]=4 14533 B13R0.250 CCC(=O)COCCC(C)C(=O)OC 34a_100000725409_100000034942 [0,2,0,0,0,0|1,0,1]=4 14534 B13R0.250 CCC(=O)CSCCC(C)C(=O)OC 62a_100000034942_100000747405 [0,2,0,0,0,0|1,0,1]=4 14535 B13R0.250 CCC(=O)CSCCC(C)C(=O)OC 62a_100000747405_100000034942 [0,2,0,0,0,0|1,0,1]=4 14536 B13R0.250 CCC(C)C(=O)CCCCC(=O)OC 1458a_100000695723_100000758301 [0,2,0,0,0,0|0,0,1]=3 14537 B13R0.250 CCC(C)C(=O)CCCCC(=O)OC 1458a_100011192722_100000204269 [0,2,0,0,0,0|0,0,1]=3 14538 B13R0.250 CCC(C)C(=O)CCCNC(=O)OC 1458a_100000753017_100000758301 [0,2,0,0,0,0|1,0,1]=4 14539 B13R0.250 CCC(C)C(=O)CCOCC(=O)OC 1458a_100011192722_100000090808 [0,2,0,0,0,0|1,0,1]=4 14540 B13R0.250 CCC(C)C(=O)NCCCC(=O)OC 188690a_100000184769_100011192722 [0,2,0,0,0,0|1,0,1]=4 14541 B13R0.250 CCC(C)C(C)NCCCC(=O)NC 269862a_100000740002_100000210599 [0,2,0,0,0,0|2,0,0]=4 14542 B13R0.250 CCC(C)C(C)NCCCC(=O)NC 270004a_100000740002_100000210599 [0,2,0,0,0,0|2,0,0]=4 14543 B13R0.250 CCC(C)C(C)OCCCC(=O)NC 7a_100011215189_100000741757 [0,2,0,0,0,0|2,0,0]=4 14544 B13R0.250 CCC(C)C(C)OCCCC(=O)OC 7a_100011215189_100011218270 [0,2,0,0,0,0|1,0,0]=3 14545 B13R0.250 CCC(C)CCCOC(C)C(=O)NC 7a_100011216074_100000209862 [0,2,0,0,0,0|2,0,0]=4 14546 B13R0.250 CCC(C)CCCOC(C)C(=O)OC 7a_100011216074_100000211248 [0,2,0,0,0,0|1,0,0]=3 14547 B13R0.250 CCC(C)CCCOC(F)C(=O)NC 7a_100011216074_100009813575 [0,2,0,0,0,0|2,0,0]=4 14548 B13R0.250 CCC(C)CNCCC(C)C(=O)OC 2230a_100020588543_100000034942 [0,2,0,0,0,0|1,0,0]=3 14549 B13R0.250 CCC(C)CSCCC(C)C(=O)OC 62a_100000034942_100000748023 [0,2,0,0,0,0|1,0,0]=3 14550 B13R0.250 CCC(C)CSCCC(C)C(=O)OC 62a_100000748023_100000034942 [0,2,0,0,0,0|1,0,0]=3 14551 B13R0.250 CCC(C)N(C)CCCCC(=O)OC 2230a_100000741768_100000204269 [0,2,0,0,0,0|1,0,0]=3 14552 B13R0.250 CCC(C)N(C)CCCCC(=O)OC 269982a_100000741768_100000204269 [0,2,0,0,0,0|1,0,0]=3 14553 B13R0.250 CCC(C)N(C)CCOCC(=O)OC 2230a_100000741768_100000090808 [0,2,0,0,0,0|2,0,0]=4 14554 B13R0.250 CCC(O)C(=O)CCCCC(=O)OC 1458a_100011196387_100000204269 [0,2,0,0,0,0|0,0,1]=3 14555 B13R0.250 CCC(O)C(=O)CCOCC(=O)OC 1458a_100011196387_100000090808 [0,2,0,0,0,0|1,0,1]=4 14556 B13R0.250 CCC(O)C(=O)NCCCC(=O)OC 188690a_100000184769_100011196387 [0,2,0,0,0,0|1,0,1]=4 14557 B13R0.250 CCC(O)CNCCC(C)C(=O)OC 2230a_100011218483_100000034942 [0,2,0,0,0,0|1,0,0]=3 14558 B13R0.250 CCC(O)CSCCC(C)C(=O)OC 62a_100000034942_100011218378 [0,2,0,0,0,0|1,0,0]=3 14559 B13R0.250 CCC(O)CSCCC(C)C(=O)OC 62a_100011218378_100000034942 [0,2,0,0,0,0|1,0,0]=3 14560 B13R0.250 CCN(C)C(=O)CCCCC(=O)OC 11a_100000225621_100000695723 [0,2,0,0,0,0|1,0,1]=4 14561 B13R0.250 CCN(C)C(=O)CCCCC(=O)OC 1626a_100000225621_100000695723 [0,2,0,0,0,0|1,0,1]=4 14562 B13R0.250 CCN(C)C(=O)CCCCC(=O)OC 240690a_100000225621_100000695723 [0,2,0,0,0,0|1,0,1]=4 14563 B13R0.250 CCN(C)C(=O)CCCCC(=O)OC 527a_100000225621_100000695723 [0,2,0,0,0,0|1,0,1]=4 14564 B13R0.250 CCN(C)C(C)COCCC(=O)OC 7a_100000732741_100000204255 [0,2,0,0,0,0|2,0,0]=4 14565 B13R0.250 CCN(C)CCCSC(C)C(=O)OC 62a_100000211248_100015186262 [0,2,0,0,0,0|2,0,0]=4 14566 B13R0.250 CC[C@H](C)COCCC(C)C(=O)OC 7a_100009816381_100000034942 [0,2,0,0,0,0|1,0,0]=3 14567 B13R0.250 CC[C@H](C)CSCCC(C)C(=O)OC 62a_100000034942_100009816398 [0,2,0,0,0,0|1,0,0]=3 14568 B13R0.250 CC[C@H](C)CSCCC(C)C(=O)OC 62a_100009816398_100000034942 [0,2,0,0,0,0|1,0,0]=3 14569 B13R0.250 COC(=O)C(C)CCNCC(C)CO 34a_100000744482_100000034942 [0,2,0,0,0,0|2,0,0]=4 14570 B13R0.250 COC(=O)C(C)CCNC[C@@H](C)OC 2230a_100020591295_100000034942 [0,2,0,0,0,0|2,0,0]=4 14571 B13R0.250 COC(=O)C(C)CCNC[C@@H](F)CO 34a_100015665980_100000034942 [0,2,0,0,0,0|2,0,0]=4 14572 B13R0.250 COC(=O)C(C)CCNC[C@H](O)CO 2230a_100020644852_100000034942 [0,2,0,0,0,0|2,0,0]=4 14573 B13R0.250 COC(=O)C(C)CCOCC(C)CN 34a_100000744482_100000034942 [0,2,0,0,0,0|2,0,0]=4 14574 B13R0.250 COC(=O)C(C)CCOCC(C)OC 34a_100000690652_100000034942 [0,2,0,0,0,0|2,0,0]=4 14575 B13R0.250 COC(=O)C(C)CCOCC(Cl)CCl 34a_100000033668_100000034942 [0,2,0,0,0,0|2,0,0]=4 14576 B13R0.250 COC(=O)C(C)CCOC[C@H](F)CN 34a_100015665980_100000034942 [0,2,0,0,0,0|2,0,0]=4 14577 B13R0.250 COC(=O)C(C)CCSCC(O)CO 62a_100000034942_100011219619 [0,2,0,0,0,0|2,0,0]=4 14578 B13R0.250 COC(=O)C(C)CCSCC(O)CO 62a_100011219619_100000034942 [0,2,0,0,0,0|2,0,0]=4 14579 B13R0.250 COC(=O)C(C)CCSC[C@@H](C)CO 62a_100000034942_100000059175 [0,2,0,0,0,0|2,0,0]=4 14580 B13R0.250 COC(=O)C(C)CCSC[C@@H](C)CO 62a_100000059175_100000034942 [0,2,0,0,0,0|2,0,0]=4 14581 B13R0.250 COC(=O)C(C)CCSC[C@@H](O)CF 62a_100000034942_100015614560 [0,2,0,0,0,0|2,0,0]=4 14582 B13R0.250 COC(=O)C(C)CCSC[C@@H](O)CF 62a_100015614560_100000034942 [0,2,0,0,0,0|2,0,0]=4 14583 B13R0.250 COC(=O)C(C)CCSC[C@@H](O)CO 62a_100000034942_100009815848 [0,2,0,0,0,0|2,0,0]=4 14584 B13R0.250 COC(=O)C(C)CCSC[C@@H](O)CO 62a_100009815848_100000034942 [0,2,0,0,0,0|2,0,0]=4 14585 B13R0.250 COC(=O)C(C)CNCCC(C)CO 34a_106354213184_100000698445 [0,2,0,0,0,0|2,0,0]=4 14586 B13R0.250 COC(=O)C(C)OCCC[C@@H](C)CN 34a_100160569302_100000211248 [0,2,0,0,0,0|2,0,0]=4 14587 B13R0.250 COC(=O)CCCCC(=O)C(C)OC 1458a_100000743197_100000204269 [0,2,0,0,0,0|1,0,1]=4 14588 B13R0.250 COC(=O)CCCCC(=O)C(C)SC 1458a_100000149566_100000204269 [0,2,0,0,0,0|1,0,1]=4 14589 B13R0.250 COC(=O)CCCCC(=O)C(O)CO 1458a_100011215603_100000204269 [0,2,0,0,0,0|1,0,1]=4 14590 B13R0.250 COC(=O)CCCCN(C)C(C)CO 2230a_100000693034_100000204269 [0,2,0,0,0,0|2,0,0]=4 14591 B13R0.250 COC(=O)CCCCN(C)C(C)CO 269982a_100000693034_100000204269 [0,2,0,0,0,0|2,0,0]=4 14592 B13R0.337 C=C(C)C(=O)C(C)CCCCCCC 1458a_100000185857_200011218727 [0,2,0,0,0,0|1,0,0]=3 14593 B13R0.337 C=C(C)C(=O)N(C)CCCCCCC 11a_100000228206_100000185857 [0,2,0,0,0,0|2,0,0]=4 14594 B13R0.337 C=C(C)C(=O)N(C)CCCCCCC 1626a_100000228206_100000185857 [0,2,0,0,0,0|2,0,0]=4 14595 B13R0.337 CCCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210614 [0,2,0,0,0,0|1,0,1]=4 14596 B13R0.337 CCCCCCCC(C)C(=O)C(C)C 1458a_100000210198_200011218727 [0,2,0,0,0,0|1,0,0]=3 14597 B13R0.337 CCCCCCCC(C)C(=O)C(C)F 1458a_100000062450_200011218727 [0,2,0,0,0,0|1,0,0]=3 14598 B13R0.337 CCCCCCCC(C)C(=O)C(O)O 1458a_100000233687_200011218727 [0,2,0,0,0,0|2,0,0]=4 14599 B13R0.337 CCCCCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_200011218727 [0,2,0,0,0,0|1,0,0]=3 14600 B13R0.337 CCCCCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_200011218727 [0,2,0,0,0,0|1,0,0]=3 14601 B13R0.337 CCCCCCCN(C)C(=O)C(C)C 11a_100000228206_100000210198 [0,2,0,0,0,0|2,0,0]=4 14602 B13R0.337 CCCCCCCN(C)C(=O)C(C)C 1626a_100000228206_100000210198 [0,2,0,0,0,0|2,0,0]=4 14603 B13R0.337 CCCCCCCN(C)C(=O)C(C)C 240690a_100000228206_100000210198 [0,2,0,0,0,0|2,0,0]=4 14604 B13R0.337 CCCCCCCN(C)C(=O)C(C)C 527a_100000228206_100000210198 [0,2,0,0,0,0|2,0,0]=4 14605 B13R0.337 CCCCCCCN(C)C(=O)C(C)F 11a_100000228206_100000062450 [0,2,0,0,0,0|2,0,0]=4 14606 B13R0.337 CCCCCCCN(C)C(=O)C(C)F 1626a_100000228206_100000062450 [0,2,0,0,0,0|2,0,0]=4 14607 B13R0.337 CCCCCCCN(C)C(=O)C(C)F 240690a_100000228206_100000062450 [0,2,0,0,0,0|2,0,0]=4 14608 B13R0.337 CCCCCCCN(C)C(=O)C(C)F 527a_100000228206_100000062450 [0,2,0,0,0,0|2,0,0]=4 14609 B13R0.337 CCCCCCCN(C)C(=O)[C@@H](C)O 240690a_100000228206_100000717761 [0,2,0,0,0,0|2,0,0]=4 14610 B13R0.337 CCCCCCCN(C)C(=O)[C@H](C)O 1626a_100000228206_217856618621 [0,2,0,0,0,0|2,0,0]=4 14611 B13R0.337 CCCCCCCN(C)C(=O)[C@H](C)O 240690a_100000228206_217856618621 [0,2,0,0,0,0|2,0,0]=4 14612 B13R0.337 CCCCCCNC(C)C(=O)C(C)C 2230a_100000210581_100009893295 [0,2,0,0,0,0|2,0,0]=4 14613 B13R0.337 CCCCCCNC(C)C(=O)N(C)C 2230a_100000210581_100000209910 [0,2,0,0,0,0|2,0,0]=4 14614 B13R0.337 CCCCCCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210314 [0,2,0,0,0,0|2,0,0]=4 14615 B13R0.337 CCCCCCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000210314 [0,2,0,0,0,0|2,0,0]=4 14616 B13R0.337 CCCCCCOC(C)C(=O)C(C)C 7a_100000210259_100009893295 [0,2,0,0,0,0|2,0,0]=4 14617 B13R0.337 CCCCCCOC(C)C(=O)N(C)C 7a_100000210259_100000209910 [0,2,0,0,0,0|2,0,0]=4 14618 B13R0.337 CCCCCCSC(C)C(=O)C(C)C 62a_100000210314_100009893295 [0,2,0,0,0,0|2,0,0]=4 14619 B13R0.337 CCCCCCSC(C)C(=O)C(C)C 62a_100009893295_100000210757 [0,2,0,0,0,0|2,0,0]=4 14620 B13R0.337 CCCCCCSC(C)C(=O)N(C)C 62a_100000209910_100000210757 [0,2,0,0,0,0|2,0,0]=4 14621 B13R0.337 CCCCCCSC(C)C(=O)N(C)C 62a_100000210314_100000209910 [0,2,0,0,0,0|2,0,0]=4 14622 B13R0.369 C=C(COCC(C)CCC)C(=O)OC 34a_100000688023_100009813391 [0,2,0,0,0,0|1,0,1]=4 14623 B13R0.369 C=C(COC[C@@H](N)CCC)C(=O)OC 34a_100000732646_100009813391 [0,2,0,0,0,0|1,0,1]=4 14624 B13R0.369 C=C(CSCC(C)CCC)C(=O)OC 62a_100009813391_100011216630 [0,2,0,0,0,0|1,0,1]=4 14625 B13R0.369 C=C(CSCC(C)CCC)C(=O)OC 62a_100011216630_100009813391 [0,2,0,0,0,0|1,0,1]=4 14626 B13R0.369 CCCC(=O)CCCN(C)C(=O)OC 1458a_100000752137_100000210303 [0,2,0,0,0,0|1,0,1]=4 14627 B13R0.369 CCCC(=O)COCC(C)C(=O)OC 7a_100000749362_100000747444 [0,2,0,0,0,0|1,0,1]=4 14628 B13R0.369 CCCC(=O)CSCC(C)C(=O)OC 62a_100000698445_100000747444 [0,2,0,0,0,0|1,0,1]=4 14629 B13R0.369 CCCC(=O)CSCC(C)C(=O)OC 62a_100000747444_100000698445 [0,2,0,0,0,0|1,0,1]=4 14630 B13R0.369 CCCC(C)CCOC(C)C(=O)CC 7a_100011217855_100000742827 [0,2,0,0,0,0|2,0,0]=4 14631 B13R0.369 CCCC(C)CCOC(C)C(=O)NC 34a_100011217855_100000731044 [0,2,0,0,0,0|2,0,0]=4 14632 B13R0.369 CCCC(C)CCOC(C)C(=O)NC 7a_100011217855_100000209862 [0,2,0,0,0,0|2,0,0]=4 14633 B13R0.369 CCCC(C)CCOC(C)C(=O)OC 34a_100011217855_100000211248 [0,2,0,0,0,0|1,0,0]=3 14634 B13R0.369 CCCC(C)CCOC(C)C(=O)OC 7a_100011217855_100000211248 [0,2,0,0,0,0|1,0,0]=3 14635 B13R0.369 CCCC(C)CCOC(F)C(=O)NC 34a_100011217855_100009813575 [0,2,0,0,0,0|2,0,0]=4 14636 B13R0.369 CCCC(C)CCOC(F)C(=O)NC 7a_100011217855_100009813575 [0,2,0,0,0,0|2,0,0]=4 14637 B13R0.369 CCCC(C)CNCC(C)C(=O)NC 2230a_100015187722_100011216630 [0,2,0,0,0,0|2,0,0]=4 14638 B13R0.369 CCCC(C)CNCC(C)C(=O)NC 270004a_100015187722_100000243154 [0,2,0,0,0,0|2,0,0]=4 14639 B13R0.369 CCCC(C)CNCC(C)C(=O)NC 34a_100015187722_100011216630 [0,2,0,0,0,0|2,0,0]=4 14640 B13R0.369 CCCC(C)COCC(=O)C(=O)OC 34a_100000688023_100011610305 [0,2,0,0,0,0|1,0,1]=4 14641 B13R0.369 CCCC(C)COCC(C)C(=O)OC 34a_100000688023_100000698445 [0,2,0,0,0,0|1,0,0]=3 14642 B13R0.369 CCCC(C)COCC(C)C(=O)OC 34a_100000749362_100011216630 [0,2,0,0,0,0|1,0,0]=3 14643 B13R0.369 CCCC(C)COCC(C)C(=O)OC 7a_100000749362_100011216630 [0,2,0,0,0,0|1,0,0]=3 14644 B13R0.369 CCCC(C)COCC(F)C(=O)OC 34a_200009849844_100011216630 [0,2,0,0,0,0|1,0,0]=3 14645 B13R0.369 CCCC(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100011216630 [0,2,0,0,0,0|1,0,0]=3 14646 B13R0.369 CCCC(C)CSCC(=O)C(=O)OC 62a_100011216630_100011610305 [0,2,0,0,0,0|1,0,1]=4 14647 B13R0.369 CCCC(C)CSCC(=O)C(=O)OC 62a_100011610305_100011216630 [0,2,0,0,0,0|1,0,1]=4 14648 B13R0.369 CCCC(C)CSCC(C)C(=O)OC 62a_100000698445_100011216630 [0,2,0,0,0,0|1,0,0]=3 14649 B13R0.369 CCCC(C)CSCC(C)C(=O)OC 62a_100011216630_100000698445 [0,2,0,0,0,0|1,0,0]=3 14650 B13R0.369 CCCC(C)NCCC(C)C(=O)OC 2230a_100000741246_100000034942 [0,2,0,0,0,0|1,0,0]=3 14651 B13R0.369 CCCC(C)OCCC(C)C(=O)OC 34a_100000764384_100000034942 [0,2,0,0,0,0|1,0,0]=3 14652 B13R0.369 CCCC(C)OCCC(C)C(=O)OC 7a_100000764384_100000034942 [0,2,0,0,0,0|1,0,0]=3 14653 B13R0.369 CCCC(C)SCCC(C)C(=O)OC 62a_100000034942_100000766640 [0,2,0,0,0,0|1,0,0]=3 14654 B13R0.369 CCCC(C)SCCC(C)C(=O)OC 62a_100000766640_100000034942 [0,2,0,0,0,0|1,0,0]=3 14655 B13R0.369 CCC[C@H](N)CCOC(C)C(=O)NC 34a_100015193777_100000731044 [0,2,0,0,0,0|2,0,0]=4 14656 B13R0.369 CCC[C@H](N)CCOC(C)C(=O)OC 34a_100015193777_100000211248 [0,2,0,0,0,0|1,0,0]=3 14657 B13R0.369 CCC[C@H](N)CCOC(F)C(=O)NC 34a_100015193777_100009813575 [0,2,0,0,0,0|2,0,0]=4 14658 B13R0.369 CCC[C@H](N)COCC(=O)C(=O)OC 34a_100000732646_100011610305 [0,2,0,0,0,0|1,0,1]=4 14659 B13R0.369 CCC[C@H](N)COCC(C)C(=O)OC 34a_100000732646_100000698445 [0,2,0,0,0,0|1,0,0]=3 14660 B13R0.369 COC(=O)C(C)CCN[C@H](C)CCO 2230a_100000706166_100000034942 [0,2,0,0,0,0|2,0,0]=4 14661 B13R0.369 COC(=O)C(C)CCN[C@H](C)CCO 34a_100000706166_100000034942 [0,2,0,0,0,0|2,0,0]=4 14662 B13R0.369 COC(=O)C(C)CCOC(C)CCBr 34a_100012276601_100000034942 [0,2,0,0,0,0|2,0,0]=4 14663 B13R0.369 COC(=O)C(C)CCSC(C)CCO 62a_100000034942_100009893172 [0,2,0,0,0,0|2,0,0]=4 14664 B13R0.369 COC(=O)C(C)CCSC(C)CCO 62a_100009893172_100000034942 [0,2,0,0,0,0|2,0,0]=4 14665 B13R0.369 COC(=O)C(C)COCC(C)CCN 34a_106354213184_100000698445 [0,2,0,0,0,0|2,0,0]=4 14666 B13R0.369 COCC(C)SCCC(C)C(=O)OC 62a_100000034942_100000765312 [0,2,0,0,0,0|2,0,0]=4 14667 B13R0.369 COCC(C)SCCC(C)C(=O)OC 62a_100000765312_100000034942 [0,2,0,0,0,0|2,0,0]=4 14668 B13R0.369 COCC(N)COCC(C)C(=O)OC 34a_100000724102_100000698445 [0,2,0,0,0,0|2,0,0]=4 14669 B13R0.369 COCC(O)CNCC(C)C(=O)OC 34a_100000756049_100000698445 [0,2,0,0,0,0|2,0,0]=4 14670 B13R0.369 COCC(O)COCC(C)C(=O)OC 34a_100000749362_100011215053 [0,2,0,0,0,0|2,0,0]=4 14671 B13R0.369 COCC(O)COCC(C)C(=O)OC 7a_100000749362_100011215053 [0,2,0,0,0,0|2,0,0]=4 14672 B13R0.369 COCC(O)COCC(F)C(=O)OC 34a_200009849844_100011215053 [0,2,0,0,0,0|2,0,0]=4 14673 B13R0.369 COCC(O)COC[C@@H](N)C(=O)OC 34a_100000003586_100011215053 [0,2,0,0,0,0|2,0,0]=4 14674 B13R0.369 COCC(O)CSCC(C)C(=O)OC 62a_100000698445_100011215053 [0,2,0,0,0,0|2,0,0]=4 14675 B13R0.369 COCC(O)CSCC(C)C(=O)OC 62a_100011215053_100000698445 [0,2,0,0,0,0|2,0,0]=4 14676 B13R0.369 COC[C@@H](C)NCCC(C)C(=O)OC 2230a_100000764878_100000034942 [0,2,0,0,0,0|2,0,0]=4 14677 B13R0.369 COC[C@@H](C)OCCC(C)C(=O)OC 34a_100011934205_100000034942 [0,2,0,0,0,0|2,0,0]=4 14678 B13R0.422 CCCCCCC(=O)C(C)C(=O)CC 1458a_100102632555_100000742827 [0,2,0,0,0,0|1,0,1]=4 14679 B13R0.422 CCCCCCC(=O)C(C)C(=O)NC 1458a_100102632555_100000209862 [0,2,0,0,0,0|1,0,1]=4 14680 B13R0.422 CCCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210757 [0,2,0,0,0,0|0,0,1]=3 14681 B13R0.422 CCCCCCC(=O)C(C)C(=O)OC 1458a_100102632555_100000211248 [0,2,0,0,0,0|0,0,1]=3 14682 B13R0.422 CCCCCCC(=O)C(F)C(=O)NC 1458a_100102632555_100009813575 [0,2,0,0,0,0|1,0,1]=4 14683 B13R0.422 CCCCCCC(C)C(=O)C(=O)NC 1458a_100011218921_100011215978 [0,2,0,0,0,0|1,0,1]=4 14684 B13R0.422 CCCCCCN(C)C(=O)C(=O)OC 11a_106256046315_100000024059 [0,2,0,0,0,0|1,0,1]=4 14685 B13R0.422 CCCCCCN(C)C(=O)C(=O)OC 1626a_106256046315_100000024059 [0,2,0,0,0,0|1,0,1]=4 14686 B13R0.422 CCCCCCN(C)C(=O)C(=O)OC 240690a_106256046315_100000024059 [0,2,0,0,0,0|1,0,1]=4 14687 B13R0.422 CCCCCCN(C)C(=O)C(=O)OC 527a_106256046315_100000024059 [0,2,0,0,0,0|1,0,1]=4 14688 B13R0.422 CCCCCCN(C)C(C)C(=O)CC 2230a_106256046315_100000742827 [0,2,0,0,0,0|2,0,0]=4 14689 B13R0.422 CCCCCCN(C)C(C)C(=O)CC 269982a_106256046315_100000742827 [0,2,0,0,0,0|2,0,0]=4 14690 B13R0.422 CCCCCCN(C)C(C)C(=O)NC 2230a_106256046315_100000731044 [0,2,0,0,0,0|2,0,0]=4 14691 B13R0.422 CCCCCCN(C)C(C)C(=O)NC 269982a_106256046315_100000209862 [0,2,0,0,0,0|2,0,0]=4 14692 B13R0.422 CCCCCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210314 [0,2,0,0,0,0|1,0,0]=3 14693 B13R0.422 CCCCCCN(C)C(C)C(=O)OC 2230a_106256046315_100000211248 [0,2,0,0,0,0|1,0,0]=3 14694 B13R0.422 CCCCCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210757 [0,2,0,0,0,0|1,0,0]=3 14695 B13R0.422 CCCCCCN(C)C(C)C(=O)OC 269982a_106256046315_100000211248 [0,2,0,0,0,0|1,0,0]=3 14696 B13R0.422 CCCCCCN(C)C(F)C(=O)NC 2230a_106256046315_100009813575 [0,2,0,0,0,0|2,0,0]=4 14697 B13R0.422 CCCCCCN(C)C(F)C(=O)NC 269982a_106256046315_100009813575 [0,2,0,0,0,0|2,0,0]=4 14698 B13R0.422 CCCCCNC(=O)C(C)C(=O)OC 11a_100000209983_100012027023 [0,2,0,0,0,0|1,0,1]=4 14699 B13R0.422 CCCCCNC(=O)C(C)C(=O)OC 1626a_100000209983_100012027023 [0,2,0,0,0,0|1,0,1]=4 14700 B13R0.422 CCCCCNC(=O)C(C)C(=O)OC 240690a_100000209983_100012027023 [0,2,0,0,0,0|1,0,1]=4 14701 B13R0.422 CCCCCNC(=O)C(C)C(=O)OC 527a_100000209983_100012027023 [0,2,0,0,0,0|1,0,1]=4 14702 B13R0.422 CCCCCNC(C)C(=O)C(=O)OC 2230a_100000209983_100000692041 [0,2,0,0,0,0|1,0,1]=4 14703 B13R0.422 CCCCCOC(C)C(=O)C(=O)OC 34a_100000210253_100000692041 [0,2,0,0,0,0|1,0,1]=4 14704 B13R0.422 CCCCCO[C@H](C)[C@H](N)C(=O)NC 34a_100102634413_100000718602 [0,2,0,0,0,0|2,0,0]=4 14705 B13R0.422 CCCCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000718602 [0,2,0,0,0,0|1,0,0]=3 14706 B13R0.422 CCCCCSC(C)C(=O)C(=O)OC 62a_100000210326_100000692041 [0,2,0,0,0,0|1,0,1]=4 14707 B13R0.422 CCCCCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210326 [0,2,0,0,0,0|1,0,1]=4 14708 B13R0.422 CCCCOCC(=O)C(C)C(=O)OC 1458a_100000757543_100000211248 [0,2,0,0,0,0|1,0,1]=4 14709 B13R0.422 CCCCOCC(=O)C(C)C(=O)OC 1458a_100012027023_100011995733 [0,2,0,0,0,0|1,0,1]=4 14710 B13R0.422 CCCCOCN(C)C(C)C(=O)OC 2230a_100000725243_100011995733 [0,2,0,0,0,0|2,0,0]=4 14711 B13R0.422 CCCCOCN(C)C(C)C(=O)OC 269982a_100000725243_100011995733 [0,2,0,0,0,0|2,0,0]=4 14712 B13R0.422 CCCCSCC(=O)C(C)C(=O)OC 1458a_100000191162_100000211248 [0,2,0,0,0,0|1,0,1]=4 14713 B13R0.422 CCCOCCC(=O)C(C)C(=O)OC 1458a_100012027023_100011215938 [0,2,0,0,0,0|1,0,1]=4 14714 B13R0.422 CCCOCCN(C)C(C)C(=O)OC 2230a_100000725243_100011215938 [0,2,0,0,0,0|2,0,0]=4 14715 B13R0.422 CCCOCCN(C)C(C)C(=O)OC 269982a_100000725243_100011215938 [0,2,0,0,0,0|2,0,0]=4 14716 B13R0.422 CCOCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100012232248 [0,2,0,0,0,0|1,0,1]=4 14717 B13R0.422 CCOCCCN(C)C(C)C(=O)OC 2230a_100000725243_100012232248 [0,2,0,0,0,0|2,0,0]=4 14718 B13R0.422 CCOCCCN(C)C(C)C(=O)OC 269982a_100000725243_100012232248 [0,2,0,0,0,0|2,0,0]=4 14719 B13R0.422 CCOCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210147 [0,2,0,0,0,0|2,0,0]=4 14720 B13R0.422 CCSCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000757381 [0,2,0,0,0,0|2,0,0]=4 14721 B13R0.422 COC(=O)C(C)C(=O)CCCCCF 1458a_100012027023_100000729378 [0,2,0,0,0,0|1,0,1]=4 14722 B13R0.422 COC(=O)C(C)C(=O)CCCCCO 1458a_100012027023_100000746330 [0,2,0,0,0,0|1,0,1]=4 14723 B13R0.422 COC(=O)C(C)C(=O)CCCCCO 1458a_100102619762_100000211248 [0,2,0,0,0,0|1,0,1]=4 14724 B13R0.422 COC(=O)C(C)N(C)CCCCCF 2230a_100000725243_100000729378 [0,2,0,0,0,0|2,0,0]=4 14725 B13R0.422 COC(=O)C(C)N(C)CCCCCF 269982a_100000725243_100000729378 [0,2,0,0,0,0|2,0,0]=4 14726 B13R0.422 COC(=O)C(C)N(C)CCCCCO 2230a_100000722520_100000211248 [0,2,0,0,0,0|2,0,0]=4 14727 B13R0.422 COC(=O)C(C)N(C)CCCCCO 2230a_100000725243_100000746330 [0,2,0,0,0,0|2,0,0]=4 14728 B13R0.422 COC(=O)C(C)N(C)CCCCCO 269982a_100000722520_100000211248 [0,2,0,0,0,0|2,0,0]=4 14729 B13R0.422 COC(=O)C(C)N(C)CCCCCO 269982a_100000725243_100000746330 [0,2,0,0,0,0|2,0,0]=4 14730 B13R0.422 COC(=O)[C@@H](N)[C@@H](C)OCCCCF 34a_100000004424_100000729493 [0,2,0,0,0,0|2,0,0]=4 14731 B13R0.422 COC(=O)[C@@H](N)[C@@H](C)OCCCCO 34a_100000004424_100011216708 [0,2,0,0,0,0|2,0,0]=4 14732 B13R0.422 COCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000755781 [0,2,0,0,0,0|1,0,1]=4 14733 B13R0.422 COCCCCN(C)C(C)C(=O)OC 2230a_100000725243_100000730899 [0,2,0,0,0,0|2,0,0]=4 14734 B13R0.422 COCCCCN(C)C(C)C(=O)OC 269982a_100000725243_100000730899 [0,2,0,0,0,0|2,0,0]=4 14735 B13R0.422 COCCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000740836 [0,2,0,0,0,0|2,0,0]=4 14736 B13R0.714 C#CC(=O)C(C)(C)CCCCCCC 1458a_100000211873_200000046972 [0,2,0,0,0,0|1,0,1]=4 14737 B13R0.714 C=CC(=O)C(C)(C)CCCCCCC 1458a_100000185746_200000046972 [0,2,0,0,0,0|1,0,1]=4 14738 B13R0.714 CCCCCCCC(C)(C)C(=O)CC 1458a_100000210414_200000046972 [0,2,0,0,0,0|1,0,0]=3 14739 B13R0.714 CCCCCCCC(C)(C)C(=O)CC 1458a_200011216102_100000210202 [0,2,0,0,0,0|1,0,0]=3 14740 B13R0.714 CCCCCCCC(C)(C)C(=O)CF 1458a_200011216102_100015361967 [0,2,0,0,0,0|2,0,0]=4 14741 B13R0.714 CCCCCCCC(C)(C)C(=O)CO 1458a_100000210174_200000046972 [0,2,0,0,0,0|2,0,0]=4 14742 B13R0.714 CCCCCCCC(C)(C)C(=O)NC 11a_106832991635_200011216102 [0,2,0,0,0,0|1,0,0]=3 14743 B13R0.714 CCCCCCCC(C)(C)C(=O)NC 1626a_100102657272_200011216102 [0,2,0,0,0,0|1,0,0]=3 14744 B13R0.714 CCCCCCCC(C)(C)C(=O)NC 240690a_100102657272_200011216102 [0,2,0,0,0,0|1,0,0]=3 14745 B13R0.714 CCCCCCCC(C)(C)C(=O)NC 527a_100102657272_200011216102 [0,2,0,0,0,0|1,0,0]=3 14746 B13R0.714 CCCCCCNC(C)(C)C(=O)NC 2230a_100000210581_100000732697 [0,2,0,0,0,0|2,0,0]=4 14747 B13R0.714 CCCCCCNC(C)(C)C(=O)OC 2230a_100000210581_100000689032 [0,2,0,0,0,0|1,0,0]=3 14748 B13R0.714 CCCCCCNC(C)(F)C(=O)OC 2230a_100000210581_200009867631 [0,2,0,0,0,0|1,0,0]=3 14749 B13R0.714 CCCCCCOC(C)(C)C(=O)NC 34a_100000210259_100000732697 [0,2,0,0,0,0|2,0,0]=4 14750 B13R0.714 CCCCCCOC(C)(C)C(=O)OC 34a_100011217581_100000210314 [0,2,0,0,0,0|1,0,0]=3 14751 B13R0.714 CCCCCCOC(C)(C)C(=O)OC 7a_100011217581_100000210314 [0,2,0,0,0,0|1,0,0]=3 14752 B13R0.714 CCCCCCOC(C)(F)C(=O)OC 34a_100000210259_200009867631 [0,2,0,0,0,0|1,0,0]=3 14753 B13R0.714 CCCCCCOC(F)(F)C(=O)OC 34a_100000210259_100000211177 [0,2,0,0,0,0|1,0,0]=3 14754 B13R0.714 CCCCCCOC(F)(F)C(=O)OC 7a_100000210259_100000211177 [0,2,0,0,0,0|1,0,0]=3 14755 B13R0.714 CCCCCCSC(C)(C)C(=O)NC 62a_100000210314_100000732697 [0,2,0,0,0,0|2,0,0]=4 14756 B13R0.714 CCCCCCSC(C)(C)C(=O)NC 62a_100000732697_100000210757 [0,2,0,0,0,0|2,0,0]=4 14757 B13R0.714 CCCCCCSC(C)(C)C(=O)OC 62a_100000210314_100000689032 [0,2,0,0,0,0|1,0,0]=3 14758 B13R0.714 CCCCCCSC(C)(C)C(=O)OC 62a_100000689032_100000210757 [0,2,0,0,0,0|1,0,0]=3 14759 B13R0.714 CCCCCCSC(C)(F)C(=O)OC 62a_100000210314_200009867631 [0,2,0,0,0,0|1,0,0]=3 14760 B13R0.714 CCCCCCSC(C)(F)C(=O)OC 62a_200009867631_100000210757 [0,2,0,0,0,0|1,0,0]=3 14761 B13R0.714 CCCCCCSC(F)(F)C(=O)OC 62a_100000210314_100000211177 [0,2,0,0,0,0|1,0,0]=3 14762 B13R0.714 CCCCCCSC(F)(F)C(=O)OC 62a_100000211177_100000210757 [0,2,0,0,0,0|1,0,0]=3 14763 B13R0.714 CCCCCOCC(C)(C)C(=O)NC 34a_100000210253_100000702813 [0,2,0,0,0,0|2,0,0]=4 14764 B13R0.714 CCCCCOCC(C)(C)C(=O)OC 34a_100000709632_100000718602 [0,2,0,0,0,0|1,0,0]=3 14765 B13R0.714 CCCCCOCC(C)(C)C(=O)OC 7a_100000709632_100000210326 [0,2,0,0,0,0|1,0,0]=3 14766 B13R0.714 CCCCCOCC(F)(F)C(=O)OC 34a_100000210253_100010295740 [0,2,0,0,0,0|1,0,0]=3 14767 B13R0.714 CCCCCSCC(C)(C)C(=O)NC 62a_100000210326_100000702813 [0,2,0,0,0,0|2,0,0]=4 14768 B13R0.714 CCCCCSCC(C)(C)C(=O)NC 62a_100000702813_100000210326 [0,2,0,0,0,0|2,0,0]=4 14769 B13R0.714 CCCCCSCC(C)(C)C(=O)OC 62a_100000210326_100000684552 [0,2,0,0,0,0|1,0,0]=3 14770 B13R0.714 CCCCCSCC(C)(C)C(=O)OC 62a_100000684552_100000210326 [0,2,0,0,0,0|1,0,0]=3 14771 B13R0.714 CCCCCSCC(F)(F)C(=O)OC 62a_100000210326_100010295740 [0,2,0,0,0,0|1,0,0]=3 14772 B13R0.714 CCCCCSCC(F)(F)C(=O)OC 62a_100010295740_100000210326 [0,2,0,0,0,0|1,0,0]=3 14773 B13R0.714 CCCCOCOC(C)(C)C(=O)OC 34a_100011217581_100011995733 [0,2,0,0,0,0|2,0,0]=4 14774 B13R0.714 CCCCOCSC(C)(C)C(=O)OC 62a_100000689032_100011995733 [0,2,0,0,0,0|2,0,0]=4 14775 B13R0.714 CCCCOCSC(C)(C)C(=O)OC 62a_100011995733_100000689032 [0,2,0,0,0,0|2,0,0]=4 14776 B13R0.714 CCCCOCSC(C)(F)C(=O)OC 62a_100011995733_200009867631 [0,2,0,0,0,0|2,0,0]=4 14777 B13R0.714 CCCCOCSC(C)(F)C(=O)OC 62a_200009867631_100011995733 [0,2,0,0,0,0|2,0,0]=4 14778 B13R0.714 CCCCOCSC(F)(F)C(=O)OC 62a_100000211177_100011995733 [0,2,0,0,0,0|2,0,0]=4 14779 B13R0.714 CCCCOCSC(F)(F)C(=O)OC 62a_100011995733_100000211177 [0,2,0,0,0,0|2,0,0]=4 14780 B13R0.714 CCCOCCCC(C)(C)C(=O)OC 34a_100000210258_100010114820 [0,2,0,0,0,0|1,0,0]=3 14781 B13R0.714 CCCOCCNC(C)(C)C(=O)OC 2230a_100161115042_100000689032 [0,2,0,0,0,0|2,0,0]=4 14782 B13R0.714 CCCOCCNC(C)(F)C(=O)OC 2230a_100161115042_200009867631 [0,2,0,0,0,0|2,0,0]=4 14783 B13R0.714 CCCOCCNC(C)(F)C(=O)OC 34a_100161115042_200009867631 [0,2,0,0,0,0|2,0,0]=4 14784 B13R0.714 CCCOCCNC(F)(F)C(=O)OC 34a_100161115042_100000211177 [0,2,0,0,0,0|2,0,0]=4 14785 B13R0.714 CCCOCCOC(C)(C)C(=O)OC 34a_100011217581_100011215938 [0,2,0,0,0,0|2,0,0]=4 14786 B13R0.714 CCCOCCOC(C)(C)C(=O)OC 7a_100011217581_100011215938 [0,2,0,0,0,0|2,0,0]=4 14787 B13R0.714 CCCOCCOC(C)(F)C(=O)OC 34a_100000752267_200009867631 [0,2,0,0,0,0|2,0,0]=4 14788 B13R0.714 CCCOCCOC(F)(F)C(=O)OC 34a_100000752267_100000211177 [0,2,0,0,0,0|2,0,0]=4 14789 B13R0.714 CCCOCCOC(F)(F)C(=O)OC 7a_100000752267_100000211177 [0,2,0,0,0,0|2,0,0]=4 14790 B13R0.714 CCCOCCSC(C)(C)C(=O)OC 62a_100000689032_100011215938 [0,2,0,0,0,0|2,0,0]=4 14791 B13R0.714 CCCOCCSC(C)(C)C(=O)OC 62a_100011215938_100000689032 [0,2,0,0,0,0|2,0,0]=4 14792 B13R0.714 CCCOCCSC(C)(F)C(=O)OC 62a_100011215938_200009867631 [0,2,0,0,0,0|2,0,0]=4 14793 B13R0.714 CCCOCCSC(C)(F)C(=O)OC 62a_200009867631_100011215938 [0,2,0,0,0,0|2,0,0]=4 14794 B13R0.714 CCCOCCSC(F)(F)C(=O)OC 62a_100000211177_100011215938 [0,2,0,0,0,0|2,0,0]=4 14795 B13R0.714 CCCOCCSC(F)(F)C(=O)OC 62a_100011215938_100000211177 [0,2,0,0,0,0|2,0,0]=4 14796 B13R0.714 CCCSCCCC(C)(C)C(=O)OC 62a_100000210303_100010114820 [0,2,0,0,0,0|1,0,0]=3 14797 B13R0.714 CCCSCCCC(C)(C)C(=O)OC 62a_100010114820_100000210303 [0,2,0,0,0,0|1,0,0]=3 14798 B13R0.714 CCCSCCNC(C)(C)C(=O)OC 2230a_100020603323_100000689032 [0,2,0,0,0,0|2,0,0]=4 14799 B13R0.714 CCCSCCNC(C)(F)C(=O)OC 2230a_100020603323_200009867631 [0,2,0,0,0,0|2,0,0]=4 14800 B13R0.714 CCCSCCOC(C)(F)C(=O)OC 34a_200000230433_200009867631 [0,2,0,0,0,0|2,0,0]=4 14801 B13R0.714 CCCSCCOC(F)(F)C(=O)OC 34a_200000230433_100000211177 [0,2,0,0,0,0|2,0,0]=4 14802 B13R0.714 CCCSCCOC(F)(F)C(=O)OC 7a_200000230433_100000211177 [0,2,0,0,0,0|2,0,0]=4 14803 B13R0.714 CCOCCCNC(C)(C)C(=O)OC 2230a_100000210961_100000689032 [0,2,0,0,0,0|2,0,0]=4 14804 B13R0.714 CCOCCCNC(C)(F)C(=O)OC 2230a_100000210961_200009867631 [0,2,0,0,0,0|2,0,0]=4 14805 B13R0.714 CCOCCCNC(C)(F)C(=O)OC 34a_100000210961_200009867631 [0,2,0,0,0,0|2,0,0]=4 14806 B13R0.714 CCOCCCNC(F)(F)C(=O)OC 34a_100000210961_100000211177 [0,2,0,0,0,0|2,0,0]=4 14807 B13R0.714 CCOCCCOC(C)(C)C(=O)OC 34a_100011217581_100012232248 [0,2,0,0,0,0|2,0,0]=4 14808 B13R0.714 CCOCCCOC(C)(C)C(=O)OC 7a_100011217581_100012232248 [0,2,0,0,0,0|2,0,0]=4 14809 B13R0.714 CCOCCCOC(C)(F)C(=O)OC 34a_100000757476_200009867631 [0,2,0,0,0,0|2,0,0]=4 14810 B13R0.714 CCOCCCOC(F)(F)C(=O)OC 34a_100000757476_100000211177 [0,2,0,0,0,0|2,0,0]=4 14811 B13R0.714 CCOCCCOC(F)(F)C(=O)OC 7a_100000757476_100000211177 [0,2,0,0,0,0|2,0,0]=4 14812 B13R0.714 CCOCCCSC(C)(C)C(=O)OC 62a_100000689032_100012232248 [0,2,0,0,0,0|2,0,0]=4 14813 B13R0.714 CCOCCCSC(C)(C)C(=O)OC 62a_100012232248_100000689032 [0,2,0,0,0,0|2,0,0]=4 14814 B13R0.714 CCOCCCSC(C)(F)C(=O)OC 62a_100012232248_200009867631 [0,2,0,0,0,0|2,0,0]=4 14815 B13R0.714 CCOCCCSC(C)(F)C(=O)OC 62a_200009867631_100012232248 [0,2,0,0,0,0|2,0,0]=4 14816 B13R0.714 CCOCCCSC(F)(F)C(=O)OC 62a_100000211177_100012232248 [0,2,0,0,0,0|2,0,0]=4 14817 B13R0.714 CCOCCCSC(F)(F)C(=O)OC 62a_100012232248_100000211177 [0,2,0,0,0,0|2,0,0]=4 14818 B13R0.714 CCOCCNCC(F)(F)C(=O)OC 34a_102516460346_100010295740 [0,2,0,0,0,0|2,0,0]=4 14819 B13R0.714 CCOCCOCC(C)(C)C(=O)OC 34a_100000709632_100000210147 [0,2,0,0,0,0|2,0,0]=4 14820 B13R0.714 CCOCCOCC(C)(C)C(=O)OC 7a_100000709632_100011215890 [0,2,0,0,0,0|2,0,0]=4 14821 B13R0.714 CCOCCOCC(F)(F)C(=O)OC 34a_100000210136_100010295740 [0,2,0,0,0,0|2,0,0]=4 14822 B13R0.714 CCOCCSCC(C)(C)C(=O)OC 62a_100000210147_100000684552 [0,2,0,0,0,0|2,0,0]=4 14823 B13R0.714 CCOCCSCC(C)(C)C(=O)OC 62a_100000684552_100011215890 [0,2,0,0,0,0|2,0,0]=4 14824 B13R0.714 CCOCCSCC(F)(F)C(=O)OC 62a_100000210147_100010295740 [0,2,0,0,0,0|2,0,0]=4 14825 B13R0.714 CCOCCSCC(F)(F)C(=O)OC 62a_100010295740_100011215890 [0,2,0,0,0,0|2,0,0]=4 14826 B13R0.714 CCSCCCOC(C)(F)C(=O)OC 34a_100011216438_200009867631 [0,2,0,0,0,0|2,0,0]=4 14827 B13R0.714 CCSCCCOC(F)(F)C(=O)OC 34a_100011216438_100000211177 [0,2,0,0,0,0|2,0,0]=4 14828 B13R0.714 CCSCCCOC(F)(F)C(=O)OC 7a_100011216438_100000211177 [0,2,0,0,0,0|2,0,0]=4 14829 B13R0.714 CCSCCOCC(C)(C)C(=O)OC 34a_100000709632_100000757381 [0,2,0,0,0,0|2,0,0]=4 14830 B13R0.714 CCSCCOCC(C)(C)C(=O)OC 7a_100000709632_100000757381 [0,2,0,0,0,0|2,0,0]=4 14831 B13R0.714 CCSCCOCC(F)(F)C(=O)OC 34a_100000212035_100010295740 [0,2,0,0,0,0|2,0,0]=4 14832 B13R0.714 CCSCCSCC(C)(C)C(=O)OC 62a_100000684552_100000757381 [0,2,0,0,0,0|2,0,0]=4 14833 B13R0.714 CCSCCSCC(C)(C)C(=O)OC 62a_100000757381_100000684552 [0,2,0,0,0,0|2,0,0]=4 14834 B13R0.714 CCSCCSCC(F)(F)C(=O)OC 62a_100000757381_100010295740 [0,2,0,0,0,0|2,0,0]=4 14835 B13R0.714 CCSCCSCC(F)(F)C(=O)OC 62a_100010295740_100000757381 [0,2,0,0,0,0|2,0,0]=4 14836 B13R0.714 CNCCCOCC(F)(F)C(=O)OC 34a_100000213112_100010295740 [0,2,0,0,0,0|2,0,0]=4 14837 B13R0.714 COC(=O)C(C)(C)CCCNCCF 34a_100000724931_100010114820 [0,2,0,0,0,0|2,0,0]=4 14838 B13R0.714 COC(=O)C(C)(C)CCCNCCO 2230a_100016997473_100010114820 [0,2,0,0,0,0|2,0,0]=4 14839 B13R0.714 COC(=O)C(C)(C)CCCNCCO 34a_100016990907_100010114820 [0,2,0,0,0,0|2,0,0]=4 14840 B13R0.714 COC(=O)C(C)(C)CCCOCCBr 34a_100000211926_100010114820 [0,2,0,0,0,0|2,0,0]=4 14841 B13R0.714 COC(=O)C(C)(C)CCCOCCN 34a_100000210304_100010114820 [0,2,0,0,0,0|2,0,0]=4 14842 B13R0.714 COC(=O)C(C)(C)CCCSCCF 62a_100010114820_100011217306 [0,2,0,0,0,0|2,0,0]=4 14843 B13R0.714 COC(=O)C(C)(C)CCCSCCF 62a_100011217306_100010114820 [0,2,0,0,0,0|2,0,0]=4 14844 B13R0.714 COC(=O)C(C)(C)CCCSCCO 62a_100000211926_100010114820 [0,2,0,0,0,0|2,0,0]=4 14845 B13R0.714 COC(=O)C(C)(C)CCCSCCO 62a_100010114820_100000211926 [0,2,0,0,0,0|2,0,0]=4 14846 B13R0.714 COC(=O)C(C)(C)CCCSCSC 62a_100010114820_100011218213 [0,2,0,0,0,0|2,0,0]=4 14847 B13R0.714 COC(=O)C(C)(C)CCCSCSC 62a_100011218213_100010114820 [0,2,0,0,0,0|2,0,0]=4 14848 B13R0.714 COC(=O)C(C)(C)COCCCCF 34a_100000709632_100000729493 [0,2,0,0,0,0|2,0,0]=4 14849 B13R0.714 COC(=O)C(C)(C)COCCCCF 7a_100000709632_100000729493 [0,2,0,0,0,0|2,0,0]=4 14850 B13R0.714 COC(=O)C(C)(C)COCCCCO 34a_100000709632_100011216708 [0,2,0,0,0,0|2,0,0]=4 14851 B13R0.714 COC(=O)C(C)(C)COCCCCO 7a_100000709632_100000210776 [0,2,0,0,0,0|2,0,0]=4 14852 B13R0.714 COC(=O)C(C)(C)CSCCCCF 62a_100000684552_100000729493 [0,2,0,0,0,0|2,0,0]=4 14853 B13R0.714 COC(=O)C(C)(C)CSCCCCF 62a_100000729493_100000684552 [0,2,0,0,0,0|2,0,0]=4 14854 B13R0.714 COC(=O)C(C)(C)CSCCCCO 62a_100000210776_100000684552 [0,2,0,0,0,0|2,0,0]=4 14855 B13R0.714 COC(=O)C(C)(C)CSCCCCO 62a_100000684552_100000210776 [0,2,0,0,0,0|2,0,0]=4 14856 B13R0.714 COC(=O)C(C)(C)NCCCCCO 2230a_100000762737_100000689032 [0,2,0,0,0,0|2,0,0]=4 14857 B13R0.714 COC(=O)C(C)(C)OCCCCCF 34a_100011217581_100000729378 [0,2,0,0,0,0|2,0,0]=4 14858 B13R0.714 COC(=O)C(C)(C)OCCCCCF 7a_100011217581_100000729378 [0,2,0,0,0,0|2,0,0]=4 14859 B13R0.714 COC(=O)C(C)(C)OCCCCCO 34a_100011217581_100000746330 [0,2,0,0,0,0|2,0,0]=4 14860 B13R0.714 COC(=O)C(C)(C)OCCCCCO 7a_100011217581_100000746330 [0,2,0,0,0,0|2,0,0]=4 14861 B13R0.714 COC(=O)C(C)(C)SCCCCCF 62a_100000689032_100000729378 [0,2,0,0,0,0|2,0,0]=4 14862 B13R0.714 COC(=O)C(C)(C)SCCCCCF 62a_100000729378_100000689032 [0,2,0,0,0,0|2,0,0]=4 14863 B13R0.714 COC(=O)C(C)(C)SCCCCCO 62a_100000689032_100000746330 [0,2,0,0,0,0|2,0,0]=4 14864 B13R0.714 COC(=O)C(C)(C)SCCCCCO 62a_100000746330_100000689032 [0,2,0,0,0,0|2,0,0]=4 14865 B13R0.714 COC(=O)C(C)(F)NCCCCCO 2230a_100000762737_200009867631 [0,2,0,0,0,0|2,0,0]=4 14866 B13R0.714 COC(=O)C(C)(F)NCCCCCO 34a_100000762737_200009867631 [0,2,0,0,0,0|2,0,0]=4 14867 B13R0.714 COC(=O)C(C)(F)OCCCCCBr 34a_100000746331_200009867631 [0,2,0,0,0,0|2,0,0]=4 14868 B13R0.714 COC(=O)C(C)(F)OCCCCCCl 34a_100000746330_200009867631 [0,2,0,0,0,0|2,0,0]=4 14869 B13R0.714 COC(=O)C(C)(F)OCCCCCI 34a_200012148887_200009867631 [0,2,0,0,0,0|2,0,0]=4 14870 B13R0.714 COC(=O)C(C)(F)OCCCCCN 34a_100000762737_200009867631 [0,2,0,0,0,0|2,0,0]=4 14871 B13R0.714 COC(=O)C(C)(F)OCCCCSC 34a_100011217163_200009867631 [0,2,0,0,0,0|2,0,0]=4 14872 B13R0.714 COC(=O)C(C)(F)SCCCCCF 62a_100000729378_200009867631 [0,2,0,0,0,0|2,0,0]=4 14873 B13R0.714 COC(=O)C(C)(F)SCCCCCF 62a_200009867631_100000729378 [0,2,0,0,0,0|2,0,0]=4 14874 B13R0.714 COC(=O)C(C)(F)SCCCCCO 62a_100000746330_200009867631 [0,2,0,0,0,0|2,0,0]=4 14875 B13R0.714 COC(=O)C(C)(F)SCCCCCO 62a_200009867631_100000746330 [0,2,0,0,0,0|2,0,0]=4 14876 B13R0.714 COC(=O)C(F)(F)CNCCCCO 34a_100000750430_100010295740 [0,2,0,0,0,0|2,0,0]=4 14877 B13R0.714 COC(=O)C(F)(F)COCCCCBr 34a_100011216708_100010295740 [0,2,0,0,0,0|2,0,0]=4 14878 B13R0.714 COC(=O)C(F)(F)COCCCCCl 34a_100000210776_100010295740 [0,2,0,0,0,0|2,0,0]=4 14879 B13R0.714 COC(=O)C(F)(F)COCCCCF 34a_100011995726_100010295740 [0,2,0,0,0,0|2,0,0]=4 14880 B13R0.714 COC(=O)C(F)(F)COCCCCI 34a_200012148704_100010295740 [0,2,0,0,0,0|2,0,0]=4 14881 B13R0.714 COC(=O)C(F)(F)COCCCCN 34a_100000750430_100010295740 [0,2,0,0,0,0|2,0,0]=4 14882 B13R0.714 COC(=O)C(F)(F)COCCCSC 34a_100000690336_100010295740 [0,2,0,0,0,0|2,0,0]=4 14883 B13R0.714 COC(=O)C(F)(F)CSCCCCF 62a_100000729493_100010295740 [0,2,0,0,0,0|2,0,0]=4 14884 B13R0.714 COC(=O)C(F)(F)CSCCCCF 62a_100010295740_100000729493 [0,2,0,0,0,0|2,0,0]=4 14885 B13R0.714 COC(=O)C(F)(F)CSCCCCO 62a_100000210776_100010295740 [0,2,0,0,0,0|2,0,0]=4 14886 B13R0.714 COC(=O)C(F)(F)CSCCCCO 62a_100010295740_100000210776 [0,2,0,0,0,0|2,0,0]=4 14887 B13R0.714 COC(=O)C(F)(F)NCCCCCO 34a_100000762737_100000211177 [0,2,0,0,0,0|2,0,0]=4 14888 B13R0.714 COC(=O)C(F)(F)OCCCCCBr 34a_100000746331_100000211177 [0,2,0,0,0,0|2,0,0]=4 14889 B13R0.714 COC(=O)C(F)(F)OCCCCCBr 7a_100000746331_100000211177 [0,2,0,0,0,0|2,0,0]=4 14890 B13R0.714 COC(=O)C(F)(F)OCCCCCCl 34a_100000746330_100000211177 [0,2,0,0,0,0|2,0,0]=4 14891 B13R0.714 COC(=O)C(F)(F)OCCCCCCl 7a_100000746330_100000211177 [0,2,0,0,0,0|2,0,0]=4 14892 B13R0.714 COC(=O)C(F)(F)OCCCCCI 34a_200012148887_100000211177 [0,2,0,0,0,0|2,0,0]=4 14893 B13R0.714 COC(=O)C(F)(F)OCCCCCI 7a_200012148887_100000211177 [0,2,0,0,0,0|2,0,0]=4 14894 B13R0.714 COC(=O)C(F)(F)OCCCCCN 34a_100000762737_100000211177 [0,2,0,0,0,0|2,0,0]=4 14895 B13R0.714 COC(=O)C(F)(F)OCCCCSC 34a_100011217163_100000211177 [0,2,0,0,0,0|2,0,0]=4 14896 B13R0.714 COC(=O)C(F)(F)OCCCCSC 7a_100011217163_100000211177 [0,2,0,0,0,0|2,0,0]=4 14897 B13R0.714 COC(=O)C(F)(F)SCCCCCF 62a_100000211177_100000729378 [0,2,0,0,0,0|2,0,0]=4 14898 B13R0.714 COC(=O)C(F)(F)SCCCCCF 62a_100000729378_100000211177 [0,2,0,0,0,0|2,0,0]=4 14899 B13R0.714 COC(=O)C(F)(F)SCCCCCO 62a_100000211177_100000746330 [0,2,0,0,0,0|2,0,0]=4 14900 B13R0.714 COC(=O)C(F)(F)SCCCCCO 62a_100000746330_100000211177 [0,2,0,0,0,0|2,0,0]=4 14901 B13R0.714 COCCCCOC(C)(C)C(=O)OC 34a_100011217581_100000755781 [0,2,0,0,0,0|2,0,0]=4 14902 B13R0.714 COCCCCOC(C)(C)C(=O)OC 7a_100011217581_100000730899 [0,2,0,0,0,0|2,0,0]=4 14903 B13R0.714 COCCCCOC(C)(F)C(=O)OC 34a_100000740925_200009867631 [0,2,0,0,0,0|2,0,0]=4 14904 B13R0.714 COCCCCOC(F)(F)C(=O)OC 34a_100000740925_100000211177 [0,2,0,0,0,0|2,0,0]=4 14905 B13R0.714 COCCCCSC(C)(C)C(=O)OC 62a_100000689032_100000730899 [0,2,0,0,0,0|2,0,0]=4 14906 B13R0.714 COCCCCSC(C)(C)C(=O)OC 62a_100000730899_100000689032 [0,2,0,0,0,0|2,0,0]=4 14907 B13R0.714 COCCCCSC(C)(F)C(=O)OC 62a_100000730899_200009867631 [0,2,0,0,0,0|2,0,0]=4 14908 B13R0.714 COCCCCSC(C)(F)C(=O)OC 62a_200009867631_100000730899 [0,2,0,0,0,0|2,0,0]=4 14909 B13R0.714 COCCCCSC(F)(F)C(=O)OC 62a_100000211177_100000730899 [0,2,0,0,0,0|2,0,0]=4 14910 B13R0.714 COCCCCSC(F)(F)C(=O)OC 62a_100000730899_100000211177 [0,2,0,0,0,0|2,0,0]=4 14911 B13R0.714 COCCCNCC(F)(F)C(=O)OC 34a_100150723488_100010295740 [0,2,0,0,0,0|2,0,0]=4 14912 B13R0.714 COCCCOCC(C)(C)C(=O)OC 34a_100000709632_100000740836 [0,2,0,0,0,0|2,0,0]=4 14913 B13R0.714 COCCCOCC(C)(C)C(=O)OC 7a_100000709632_100000740836 [0,2,0,0,0,0|2,0,0]=4 14914 B13R0.714 COCCCOCC(F)(F)C(=O)OC 34a_100000740835_100010295740 [0,2,0,0,0,0|2,0,0]=4 14915 B13R0.714 COCCCSCC(C)(C)C(=O)OC 62a_100000684552_100000709357 [0,2,0,0,0,0|2,0,0]=4 14916 B13R0.714 COCCCSCC(C)(C)C(=O)OC 62a_100000709357_100000684552 [0,2,0,0,0,0|2,0,0]=4 14917 B13R0.714 COCCCSCC(F)(F)C(=O)OC 62a_100000709357_100010295740 [0,2,0,0,0,0|2,0,0]=4 14918 B13R0.714 COCCCSCC(F)(F)C(=O)OC 62a_100010295740_100000709357 [0,2,0,0,0,0|2,0,0]=4 14919 B13R0.714 COCSCCCC(C)(C)C(=O)OC 62a_100000766300_100010114820 [0,2,0,0,0,0|2,0,0]=4 14920 B13R0.714 COCSCCCC(C)(C)C(=O)OC 62a_100010114820_100000766300 [0,2,0,0,0,0|2,0,0]=4 14921 B13R0.1293 CCCCCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000212188 [0,2,0,0,0,0|1,0,1]=4 14922 B13R0.1293 CCCCCC(C)NC(=O)C(=O)OC 11a_100000211957_100000024059 [0,2,0,0,0,0|1,0,1]=4 14923 B13R0.1293 CCCCCC(C)NC(=O)C(=O)OC 1626a_100000211957_100000024059 [0,2,0,0,0,0|1,0,1]=4 14924 B13R0.1293 CCCCCC(C)NC(=O)C(=O)OC 240690a_100000211957_100000024059 [0,2,0,0,0,0|1,0,1]=4 14925 B13R0.1293 CCCCCC(C)NC(=O)C(=O)OC 527a_100000211957_100000024059 [0,2,0,0,0,0|1,0,1]=4 14926 B13R0.1293 CCCCCC(C)NC(C)C(=O)CC 2230a_100000211957_100000742827 [0,2,0,0,0,0|2,0,0]=4 14927 B13R0.1293 CCCCCC(C)NC(C)C(=O)NC 2230a_100000211957_100000731044 [0,2,0,0,0,0|2,0,0]=4 14928 B13R0.1293 CCCCCC(C)NC(C)C(=O)OC 2230a_100000211957_100000211248 [0,2,0,0,0,0|1,0,0]=3 14929 B13R0.1293 CCCCCC(C)NC(F)C(=O)NC 2230a_100000211957_100009813575 [0,2,0,0,0,0|2,0,0]=4 14930 B13R0.1293 CCCCCC(C)N[C@H](C)C(=O)NC 2230a_100000684985_200011218191 [0,2,0,0,0,0|2,0,0]=4 14931 B13R0.1293 CCCCCC(C)N[C@H](C)C(=O)NC 34a_100000684985_200011218191 [0,2,0,0,0,0|2,0,0]=4 14932 B13R0.1293 CCCCCC(C)OC(C)C(=O)CC 7a_100011215632_100000742827 [0,2,0,0,0,0|2,0,0]=4 14933 B13R0.1293 CCCCCC(C)OC(C)C(=O)NC 34a_100011215632_100000731044 [0,2,0,0,0,0|2,0,0]=4 14934 B13R0.1293 CCCCCC(C)OC(C)C(=O)NC 7a_100011215632_100000209862 [0,2,0,0,0,0|2,0,0]=4 14935 B13R0.1293 CCCCCC(C)OC(C)C(=O)OC 34a_100011215400_200011218191 [0,2,0,0,0,0|1,0,0]=3 14936 B13R0.1293 CCCCCC(C)OC(C)C(=O)OC 34a_100011215632_100000211248 [0,2,0,0,0,0|1,0,0]=3 14937 B13R0.1293 CCCCCC(C)OC(C)C(=O)OC 7a_100011215632_100000211248 [0,2,0,0,0,0|1,0,0]=3 14938 B13R0.1293 CCCCCC(C)OC(F)C(=O)NC 34a_100011215632_100009813575 [0,2,0,0,0,0|2,0,0]=4 14939 B13R0.1293 CCCCCC(C)OC(F)C(=O)NC 7a_100011215632_100009813575 [0,2,0,0,0,0|2,0,0]=4 14940 B13R0.1293 CCCCCC(C)SC(C)C(=O)CC 62a_100000742827_200011218191 [0,2,0,0,0,0|2,0,0]=4 14941 B13R0.1293 CCCCCC(C)SC(C)C(=O)CC 62a_200011218191_100000742827 [0,2,0,0,0,0|2,0,0]=4 14942 B13R0.1293 CCCCCC(C)SC(C)C(=O)NC 62a_100000209862_200011218191 [0,2,0,0,0,0|2,0,0]=4 14943 B13R0.1293 CCCCCC(C)SC(C)C(=O)NC 62a_200011218191_100000731044 [0,2,0,0,0,0|2,0,0]=4 14944 B13R0.1293 CCCCCC(C)SC(C)C(=O)OC 62a_100000211248_200011218191 [0,2,0,0,0,0|1,0,0]=3 14945 B13R0.1293 CCCCCC(C)SC(C)C(=O)OC 62a_200011218191_100000211248 [0,2,0,0,0,0|1,0,0]=3 14946 B13R0.1293 CCCCCC(C)SC(F)C(=O)NC 62a_100009813575_200011218191 [0,2,0,0,0,0|2,0,0]=4 14947 B13R0.1293 CCCCCC(C)SC(F)C(=O)NC 62a_200011218191_100009813575 [0,2,0,0,0,0|2,0,0]=4 14948 B13R0.1293 CCCCCN(C)CC(C)C(=O)OC 269982a_100000223495_100000698445 [0,2,0,0,0,0|1,0,0]=3 14949 B13R0.1293 COC(=O)C(C)CN(C)CCCCO 269982a_100000717598_100000698445 [0,2,0,0,0,0|2,0,0]=4 14950 B13R0.1293 COCCCC(C)OC(C)C(=O)OC 34a_200011539412_100000211248 [0,2,0,0,0,0|2,0,0]=4 14951 B13R0.1293 COCCCC(C)OC(C)C(=O)OC 7a_200011539412_100000211248 [0,2,0,0,0,0|2,0,0]=4 14952 B13R0.1293 COCCCN(C)CC(C)C(=O)OC 269982a_100000224831_100000698445 [0,2,0,0,0,0|2,0,0]=4 14953 B13R0.163 C#CC(CC)OCCCCC(=O)OC 34a_100000758843_100000204269 [0,2,0,0,0,0|1,0,0]=3 14954 B13R0.163 C#CC(CC)OCCCCC(=O)OC 7a_100000758843_100000204269 [0,2,0,0,0,0|1,0,0]=3 14955 B13R0.163 C#CC(CC)OCCOCC(=O)OC 34a_100000758843_100000090808 [0,2,0,0,0,0|2,0,0]=4 14956 B13R0.163 C#CC(CC)OCCOCC(=O)OC 7a_100000758843_100000090808 [0,2,0,0,0,0|2,0,0]=4 14957 B13R0.163 C=CC(CC)OCCCCC(=O)OC 34a_100000766422_100000204269 [0,2,0,0,0,0|1,0,0]=3 14958 B13R0.163 C=CC(CC)OCCCCC(=O)OC 7a_100000766422_100000204269 [0,2,0,0,0,0|1,0,0]=3 14959 B13R0.163 C=CC(CC)OCCOCC(=O)OC 34a_100000766422_100000090808 [0,2,0,0,0,0|2,0,0]=4 14960 B13R0.163 C=CC(CC)OCCOCC(=O)OC 7a_100000766422_100000090808 [0,2,0,0,0,0|2,0,0]=4 14961 B13R0.163 C=C[C@@H](CO)NCCCCC(=O)OC 2230a_100016989147_100000204269 [0,2,0,0,0,0|2,0,0]=4 14962 B13R0.163 C=C[C@@H](CO)NCCCCC(=O)OC 34a_100016989147_100000204269 [0,2,0,0,0,0|2,0,0]=4 14963 B13R0.163 CCC(CC)CNCCCC(=O)NC 2230a_100000740002_100011215472 [0,2,0,0,0,0|2,0,0]=4 14964 B13R0.163 CCC(CC)CNCCCC(=O)NC 2230a_100102946423_100000741757 [0,2,0,0,0,0|2,0,0]=4 14965 B13R0.163 CCC(CC)CNCCCC(=O)NC 269862a_100000740002_100000211137 [0,2,0,0,0,0|2,0,0]=4 14966 B13R0.163 CCC(CC)CNCCCC(=O)NC 270004a_100000740002_100000211137 [0,2,0,0,0,0|2,0,0]=4 14967 B13R0.163 CCC(CC)CNCCCC(=O)NC 34a_100000740002_100011215472 [0,2,0,0,0,0|2,0,0]=4 14968 B13R0.163 CCC(CC)CNCCCC(=O)OC 2230a_100102946423_100011218270 [0,2,0,0,0,0|1,0,0]=3 14969 B13R0.163 CCC(CC)COCCCC(=O)NC 7a_100000703878_100000741757 [0,2,0,0,0,0|2,0,0]=4 14970 B13R0.163 CCC(CC)COCCCC(=O)OC 7a_100000703878_100011218270 [0,2,0,0,0,0|1,0,0]=3 14971 B13R0.163 CCC(CC)COCCNC(=O)OC 34a_100000757965_100011215472 [0,2,0,0,0,0|2,0,0]=4 14972 B13R0.163 CCC(CC)COCCOC(=O)OC 34a_100010262106_100011215472 [0,2,0,0,0,0|2,0,0]=4 14973 B13R0.163 CCC(CC)CSCCCC(=O)NC 62a_100000741757_100011215472 [0,2,0,0,0,0|2,0,0]=4 14974 B13R0.163 CCC(CC)CSCCCC(=O)NC 62a_100011215472_100000741757 [0,2,0,0,0,0|2,0,0]=4 14975 B13R0.163 CCC(CC)CSCCCC(=O)OC 62a_100011215472_100011218270 [0,2,0,0,0,0|1,0,0]=3 14976 B13R0.163 CCC(CC)CSCCCC(=O)OC 62a_100011218270_100011215472 [0,2,0,0,0,0|1,0,0]=3 14977 B13R0.163 CCC(CC)NCCCCC(=O)OC 2230a_100000199018_100000204269 [0,2,0,0,0,0|1,0,0]=3 14978 B13R0.163 CCC(CC)NCCOCC(=O)OC 2230a_100000199018_100000090808 [0,2,0,0,0,0|2,0,0]=4 14979 B13R0.163 CCC(CC)OCCCCC(=O)OC 7a_100000059025_100000210505 [0,2,0,0,0,0|1,0,0]=3 14980 B13R0.163 CCC(CC)OCCCCC(=O)OC 7a_100000688536_100000204269 [0,2,0,0,0,0|1,0,0]=3 14981 B13R0.163 CCC(CC)OCCOCC(=O)OC 7a_100000688536_100000090808 [0,2,0,0,0,0|2,0,0]=4 14982 B13R0.163 CCC(CC)SCCCCC(=O)OC 62a_100000204269_100000210505 [0,2,0,0,0,0|1,0,0]=3 14983 B13R0.163 CCC(CC)SCCCCC(=O)OC 62a_100000210505_100000204269 [0,2,0,0,0,0|1,0,0]=3 14984 B13R0.163 CCC(CC)SCCOCC(=O)OC 62a_100000090808_100000210505 [0,2,0,0,0,0|2,0,0]=4 14985 B13R0.163 CCC(CC)SCCOCC(=O)OC 62a_100000210505_100000090808 [0,2,0,0,0,0|2,0,0]=4 14986 B13R0.163 CCC(COCCCC(=O)NC)OC 34a_100011934954_100000741757 [0,2,0,0,0,0|2,0,0]=4 14987 B13R0.163 CCC(COCCCC(=O)NC)OC 7a_100011934954_100000741757 [0,2,0,0,0,0|2,0,0]=4 14988 B13R0.163 CCC(COCCCC(=O)OC)OC 34a_100011934954_100000742333 [0,2,0,0,0,0|1,0,0]=3 14989 B13R0.163 CCC(COCCCC(=O)OC)OC 7a_100011934954_100011218270 [0,2,0,0,0,0|1,0,0]=3 14990 B13R0.163 CCN(CC)CCCCCC(=O)OC 2230a_100000724800_100009816466 [0,2,0,0,0,0|1,0,0]=3 14991 B13R0.163 CCN(CC)CCCCCC(=O)OC 269956a_100000042499_100009816466 [0,2,0,0,0,0|1,0,0]=3 14992 B13R0.163 CCN(CC)CCCCCC(=O)OC 269982a_100000724800_100009816466 [0,2,0,0,0,0|1,0,0]=3 14993 B13R0.163 CCN(CC)CCCOCC(=O)OC 7a_100000212844_100000747449 [0,2,0,0,0,0|2,0,0]=4 14994 B13R0.163 CCN(CC)CCCSCC(=O)OC 62a_100000747449_100000709985 [0,2,0,0,0,0|2,0,0]=4 14995 B13R0.163 CCN(CC)CCNCCC(=O)OC 2230a_100015382049_100000204255 [0,2,0,0,0,0|2,0,0]=4 14996 B13R0.163 CCN(CC)CCOCCC(=O)OC 7a_100016990331_100000204255 [0,2,0,0,0,0|2,0,0]=4 14997 B13R0.163 CCN(CC)CCSCCC(=O)OC 62a_100000204255_100000700428 [0,2,0,0,0,0|2,0,0]=4 14998 B13R0.163 CCN(CC)COCCCC(=O)OC 7a_200015374951_100011218270 [0,2,0,0,0,0|2,0,0]=4 14999 B13R0.163 CC[C@@H](CO)NCCCCC(=O)OC 2230a_100000709445_100000204269 [0,2,0,0,0,0|1,0,0]=3 15000 B13R0.163 CC[C@@H](CO)NCCOCC(=O)OC 2230a_100000709445_100000090808 [0,2,0,0,0,0|2,0,0]=4 15001 B13R0.163 COC(=O)CCCCNC(CO)CO 2230a_100000759517_100000204269 [0,2,0,0,0,0|2,0,0]=4 15002 B13R0.163 COC(=O)CCCCOC(CCl)CCl 7a_100000737055_100000204269 [0,2,0,0,0,0|2,0,0]=4 15003 B13R0.163 COC(=O)CCCCOC(CF)CF 34a_100000032261_100000204269 [0,2,0,0,0,0|2,0,0]=4 15004 B13R0.163 COC(=O)CCCCOC(CF)CF 7a_100000032261_100000204269 [0,2,0,0,0,0|2,0,0]=4 15005 B13R0.163 COC(=O)CCCCOC(CN)CN 34a_100000031598_100000204269 [0,2,0,0,0,0|2,0,0]=4 15006 B13R0.163 COC(=O)CCCCO[C@@H](CF)CCl 34a_100015614560_100000204269 [0,2,0,0,0,0|2,0,0]=4 15007 B13R0.163 COC(=O)CCCCO[C@@H](CF)CCl 7a_100015614560_100000204269 [0,2,0,0,0,0|2,0,0]=4 15008 B13R0.163 COC(=O)CCCOCC(OC)OC 34a_100011216393_100000742333 [0,2,0,0,0,0|2,0,0]=4 15009 B13R0.163 COC(=O)CCCSCC(OC)OC 62a_100000751394_100011218270 [0,2,0,0,0,0|2,0,0]=4 15010 B13R0.163 COC(=O)CCCSCC(OC)OC 62a_100011218270_100000751394 [0,2,0,0,0,0|2,0,0]=4 15011 B13R0.163 COC(=O)CCSCCC(OC)OC 62a_100000139399_100000204255 [0,2,0,0,0,0|2,0,0]=4 15012 B13R0.163 COC(=O)CCSCCC(OC)OC 62a_100000204255_100000139399 [0,2,0,0,0,0|2,0,0]=4 15013 B13R0.163 COC(=O)CSCCCC(OC)OC 62a_100000069011_100000747449 [0,2,0,0,0,0|2,0,0]=4 15014 B13R0.163 COC(=O)CSCCCC(OC)OC 62a_100000747449_100000069011 [0,2,0,0,0,0|2,0,0]=4 15015 B13R0.412 CCCCCCCNCC(OC)OC 2230a_100000229938_100000751394 [0,2,0,0,0,0|0,0,2]=4 15016 B13R0.412 CCCCCCCNCC(OC)OC 270004a_100000229938_100000752162 [0,2,0,0,0,0|0,0,2]=4 15017 B13R0.412 CCCCCCCOCC(CC)OC 34a_100011934954_100000210614 [0,2,0,0,0,0|1,0,1]=4 15018 B13R0.412 CCCCCCCOCC(CC)OC 7a_100011934954_100000210614 [0,2,0,0,0,0|1,0,1]=4 15019 B13R0.412 CCCCCCCOCC(OC)OC 34a_100000210272_100000211822 [0,2,0,0,0,0|0,0,2]=4 15020 B13R0.412 CCCCCCCOCC(OC)OC 34a_100011216393_100000210614 [0,2,0,0,0,0|0,0,2]=4 15021 B13R0.412 CCCCCCCOCC(OC)OC 7a_100000210272_100000751394 [0,2,0,0,0,0|0,0,2]=4 15022 B13R0.412 CCCCCCCSCC(OC)OC 62a_100000210614_100000751394 [0,2,0,0,0,0|0,0,2]=4 15023 B13R0.412 CCCCCCCSCC(OC)OC 62a_100000751394_100000210316 [0,2,0,0,0,0|0,0,2]=4 15024 B13R0.412 CCCCCCNCCC(OC)OC 2230a_100000210581_100009813347 [0,2,0,0,0,0|0,0,2]=4 15025 B13R0.412 CCCCCCOCCC(OC)OC 34a_100000210259_100000139399 [0,2,0,0,0,0|0,0,2]=4 15026 B13R0.412 CCCCCCOCCC(OC)OC 7a_100000210259_100009813347 [0,2,0,0,0,0|0,0,2]=4 15027 B13R0.412 CCCCCCSCCC(OC)OC 62a_100000139399_100000210757 [0,2,0,0,0,0|0,0,2]=4 15028 B13R0.412 CCCCCCSCCC(OC)OC 62a_100000210314_100000139399 [0,2,0,0,0,0|0,0,2]=4 15029 B13R0.412 CCCCCNCCCC(OC)OC 2230a_100000209983_100000069011 [0,2,0,0,0,0|0,0,2]=4 15030 B13R0.412 CCCCCOCCCC(OC)OC 34a_100000210253_100000069011 [0,2,0,0,0,0|0,0,2]=4 15031 B13R0.412 CCCCCOCCCC(OC)OC 7a_100000210253_100000069011 [0,2,0,0,0,0|0,0,2]=4 15032 B13R0.412 CCCCCSCCCC(OC)OC 62a_100000069011_100000210326 [0,2,0,0,0,0|0,0,2]=4 15033 B13R0.412 CCCCCSCCCC(OC)OC 62a_100000210326_100000069011 [0,2,0,0,0,0|0,0,2]=4 15034 B13R0.412 CCCCOCCCCN(CC)N=O 34a_200000035056_100000210210 [0,2,0,0,0,0|2,0,0]=4 15035 B13R0.1339 CCCCCCOCP(=O)(OC)OC 34a_100000101693_100000210314 [0,2,0,0,0,0|2,0,0]=4 15036 B13R0.1339 CCCCCOCCP(=O)(OC)OC 34a_200000043213_100000718602 [0,2,0,0,0,0|2,0,0]=4 15037 B13R0.40 CCCCC(=O)N(C)CCC(=O)OC 11a_100025711912_100000210183 [0,2,0,0,0,0|1,0,1]=4 15038 B13R0.40 CCCCC(=O)N(C)CCC(=O)OC 1626a_100025711912_100000210183 [0,2,0,0,0,0|1,0,1]=4 15039 B13R0.40 CCCCC(=O)N(C)CCC(=O)OC 240690a_100025711912_100000210183 [0,2,0,0,0,0|1,0,1]=4 15040 B13R0.40 CCCCC(=O)N(C)CCC(=O)OC 527a_100025711912_100000210183 [0,2,0,0,0,0|1,0,1]=4 15041 B13R0.40 CCCCC(C)C(=O)CCC(=O)NC 1458a_100011309844_200011215066 [0,2,0,0,0,0|1,0,1]=4 15042 B13R0.40 CCCCC(C)C(=O)CCC(=O)OC 1458a_100000187943_200011215066 [0,2,0,0,0,0|0,0,1]=3 15043 B13R0.40 CCCCC(C)C(=O)CNC(=O)OC 1458a_100000215747_200011215066 [0,2,0,0,0,0|1,0,1]=4 15044 B13R0.40 CCCCC(C)C(=O)NCC(=O)OC 188690a_100000185156_100000725509 [0,2,0,0,0,0|1,0,1]=4 15045 B13R0.40 CCCCC(C)N(C)CCC(=O)NC 2230a_100000750875_200011215066 [0,2,0,0,0,0|2,0,0]=4 15046 B13R0.40 CCCCC(C)N(C)CCC(=O)NC 269982a_100000750875_200011215066 [0,2,0,0,0,0|2,0,0]=4 15047 B13R0.40 CCCCC(C)N(C)CCC(=O)NC 270004a_100000750875_100000210087 [0,2,0,0,0,0|2,0,0]=4 15048 B13R0.40 CCCCC(C)N(C)CCC(=O)OC 269982a_100025711912_200011215066 [0,2,0,0,0,0|1,0,0]=3 15049 B13R0.40 CCCCC(O)C(=O)NCC(=O)OC 188690a_100000185156_100000720857 [0,2,0,0,0,0|1,0,1]=4 15050 B13R0.40 CCCCN(C)C(=O)CCC(=O)OC 11a_100000207549_100000187943 [0,2,0,0,0,0|1,0,1]=4 15051 B13R0.40 CCCCN(C)C(=O)CCC(=O)OC 1626a_100000207549_100000187943 [0,2,0,0,0,0|1,0,1]=4 15052 B13R0.40 CCCCN(C)C(=O)CCC(=O)OC 240690a_100000207549_100000187943 [0,2,0,0,0,0|1,0,1]=4 15053 B13R0.40 CCCCN(C)C(=O)CCC(=O)OC 527a_100000207549_100000187943 [0,2,0,0,0,0|1,0,1]=4 15054 B13R0.117 CCCCC(=O)CCCC(=O)N(C)C 1458a_100000210183_100000737642 [0,2,0,0,0,0|1,0,1]=4 15055 B13R0.117 CCCCC(C)COCC(=O)C(=O)C 34a_100011995851_100011261029 [0,2,0,0,0,0|2,0,0]=4 15056 B13R0.117 CCCCC(C)COCC(=O)C(C)C 34a_100011995851_100000753385 [0,2,0,0,0,0|2,0,0]=4 15057 B13R0.117 CCCCC(C)COCC(=O)C(C)C 7a_100011995851_100000753385 [0,2,0,0,0,0|2,0,0]=4 15058 B13R0.117 CCCCC(C)COCC(=O)N(C)C 34a_100011995851_100000692301 [0,2,0,0,0,0|2,0,0]=4 15059 B13R0.117 CCCCC(C)COCC(=O)N(C)C 7a_100011995851_100000692301 [0,2,0,0,0,0|2,0,0]=4 15060 B13R0.117 CCCCC(C)NCCC(=O)N(C)C 2230a_100000126638_100000737620 [0,2,0,0,0,0|2,0,0]=4 15061 B13R0.117 CCCCC(C)NCCC(=O)N(C)C 2230a_100000738053_200011215066 [0,2,0,0,0,0|2,0,0]=4 15062 B13R0.117 CCCCC(C)NCCC(=O)N(C)C 270004a_100000738053_100000210087 [0,2,0,0,0,0|2,0,0]=4 15063 B13R0.117 CCCCC(C)OCCC(=O)N(C)C 34a_200000747469_200011215066 [0,2,0,0,0,0|2,0,0]=4 15064 B13R0.117 CCCCC(C)OCCC(=O)N(C)C 7a_100000687866_100000737620 [0,2,0,0,0,0|2,0,0]=4 15065 B13R0.117 CCCCC(C)SCCC(=O)N(C)C 62a_100000737620_200011215066 [0,2,0,0,0,0|2,0,0]=4 15066 B13R0.117 CCCCC(C)SCCC(=O)N(C)C 62a_200011215066_100000737620 [0,2,0,0,0,0|2,0,0]=4 15067 B13R0.117 CCCCN(C)CCCC(=O)N(C)C 2230a_100000207549_100000737642 [0,2,0,0,0,0|2,0,0]=4 15068 B13R0.117 CCCCN(C)CCCC(=O)N(C)C 269982a_100000207549_100000737642 [0,2,0,0,0,0|2,0,0]=4 15069 B13R0.117 CCCC[C@H](N)COCC(=O)C(=O)C 34a_100011934283_100011261029 [0,2,0,0,0,0|2,0,0]=4 15070 B13R0.117 CCCC[C@H](N)COCC(=O)C(C)C 34a_100011934283_100000753385 [0,2,0,0,0,0|2,0,0]=4 15071 B13R0.117 CCCC[C@H](N)COCC(=O)N(C)C 34a_100011934283_100000692301 [0,2,0,0,0,0|2,0,0]=4 15072 B13R0.118 CCCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210211 [0,2,0,0,0,0|0,0,1]=3 15073 B13R0.118 CCCCC(=O)N[C@H](C)CC(=O)OC 188690a_100016994721_100000210183 [0,2,0,0,0,0|1,0,1]=4 15074 B13R0.118 CCCCC(C)NC(=O)CC(=O)OC 240690a_100000126638_100000211351 [0,2,0,0,0,0|1,0,1]=4 15075 B13R0.118 CCCCC(C)NC(C)CC(=O)OC 2230a_100000126638_100009817358 [0,2,0,0,0,0|1,0,0]=3 15076 B13R0.118 CCCCC(C)OC(C)CC(=O)OC 34a_100000687866_100009817358 [0,2,0,0,0,0|1,0,0]=3 15077 B13R0.118 CCCCC(C)OC(C)CC(=O)OC 7a_100000687866_100009817358 [0,2,0,0,0,0|1,0,0]=3 15078 B13R0.118 CCCCC(C)SC(C)CC(=O)OC 62a_100009817358_200011215066 [0,2,0,0,0,0|1,0,0]=3 15079 B13R0.118 CCCCC(C)SC(C)CC(=O)OC 62a_200011215066_100009817358 [0,2,0,0,0,0|1,0,0]=3 15080 B13R0.118 CCCNC(=O)CC(C)CC(=O)OC 11a_100020643023_100000732146 [0,2,0,0,0,0|1,0,1]=4 15081 B13R0.118 CCCNC(=O)CC(C)CC(=O)OC 1626a_100020643023_100000732146 [0,2,0,0,0,0|1,0,1]=4 15082 B13R0.118 CCCNC(=O)CC(C)CC(=O)OC 240690a_100020643023_100000732146 [0,2,0,0,0,0|1,0,1]=4 15083 B13R0.118 CCCNC(=O)CC(C)CC(=O)OC 527a_100020643023_100000732146 [0,2,0,0,0,0|1,0,1]=4 15084 B13R0.118 CCOCC(C)OC(C)CC(=O)OC 34a_100000718985_100009817358 [0,2,0,0,0,0|2,0,0]=4 15085 B13R0.118 CCOCC(C)OC(C)CC(=O)OC 7a_100000718985_100009817358 [0,2,0,0,0,0|2,0,0]=4 15086 B13R0.118 COC(=O)CC(C)CC(=O)CCCF 1458a_100000732146_100011934791 [0,2,0,0,0,0|1,0,1]=4 15087 B13R0.118 COC(=O)CC(C)CC(=O)CCCO 1458a_100000732146_100011215043 [0,2,0,0,0,0|1,0,1]=4 15088 B13R0.118 COC(=O)CC(C)CC(=O)CCSC 1458a_100000732146_100000751147 [0,2,0,0,0,0|1,0,1]=4 15089 B13R0.118 COC(=O)CC(C)OC(C)CCCCl 34a_200000718107_100009817358 [0,2,0,0,0,0|2,0,0]=4 15090 B13R0.118 COC(=O)CC(C)OC(C)CCCCl 7a_200000718107_100009817358 [0,2,0,0,0,0|2,0,0]=4 15091 B13R0.118 COCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000233755 [0,2,0,0,0,0|1,0,1]=4 15092 B13R0.194 C#CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000731252 [0,2,0,0,0,0|0,0,2]=4 15093 B13R0.194 C#CCCCC(=O)CCCC(=O)OC 1458a_100000690238_100011218270 [0,2,0,0,0,0|0,0,2]=4 15094 B13R0.194 C#CCCCN(C)CCCC(=O)OC 269982a_100000739225_100011215417 [0,2,0,0,0,0|0,0,2]=4 15095 B13R0.194 C=CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000757094 [0,2,0,0,0,0|0,0,2]=4 15096 B13R0.194 C=CCCCC(=O)CCCC(=O)OC 1458a_100000766728_100011218270 [0,2,0,0,0,0|0,0,2]=4 15097 B13R0.194 C=CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000757094 [0,2,0,0,0,0|0,0,2]=4 15098 B13R0.194 CC/C=C/CC(=O)CCCC(=O)OC 1458a_100016274230_100011218270 [0,2,0,0,0,0|0,0,2]=4 15099 B13R0.194 CC/C=C\CC(=O)CCCC(=O)OC 1458a_100000239890_100103147603 [0,2,0,0,0,0|0,0,2]=4 15100 B13R0.194 CC/C=C\CN(C)CCCC(=O)OC 269982a_100000739225_100103147603 [0,2,0,0,0,0|0,0,2]=4 15101 B13R0.194 CCC#CCC(=O)CCCC(=O)OC 1458a_100000239890_100009813939 [0,2,0,0,0,0|0,0,2]=4 15102 B13R0.194 CCC#CCC(C)OCCC(=O)OC 34a_200000035118_100000742370 [0,2,0,0,0,0|0,0,2]=4 15103 B13R0.194 CCC#CCC(C)OCCC(=O)OC 7a_200000035118_100000204255 [0,2,0,0,0,0|0,0,2]=4 15104 B13R0.194 CCCC#CC(=O)CCCC(=O)OC 1458a_200011218047_100011218270 [0,2,0,0,0,0|0,0,2]=4 15105 B13R0.194 CCCC=CC(=O)CCCC(=O)OC 1458a_100000212230_100011218270 [0,2,0,0,0,0|0,0,2]=4 15106 B13R0.194 CCCCCC(=O)CCCC(=O)NC 1458a_100000212188_100000741757 [0,2,0,0,0,0|1,0,0]=3 15107 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [0,2,0,0,0,0|0,0,0]=2 15108 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [0,2,0,0,0,0|0,0,0]=2 15109 B13R0.194 CCCCCC(=O)CCOC(=O)NC 1458a_100000212188_200011997002 [0,2,0,0,0,0|1,0,1]=4 15110 B13R0.194 CCCCCC(=O)CNCC(=O)NC 2230a_100000693194_200012276598 [0,2,0,0,0,0|1,0,1]=4 15111 B13R0.194 CCCCCC(=O)COCC(=O)CC 34a_100000725409_200012276598 [0,2,0,0,0,0|1,0,1]=4 15112 B13R0.194 CCCCCC(=O)COCC(=O)NC 34a_100000750040_200012276598 [0,2,0,0,0,0|1,0,1]=4 15113 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_100000747405_200012276598 [0,2,0,0,0,0|1,0,1]=4 15114 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_200012276598_100000747405 [0,2,0,0,0,0|1,0,1]=4 15115 B13R0.194 CCCCCC(=O)CSCC(=O)NC 62a_100000183359_200012276598 [0,2,0,0,0,0|1,0,1]=4 15116 B13R0.194 CCCCCC(=O)CSCC(=O)NC 62a_200012276598_100000183359 [0,2,0,0,0,0|1,0,1]=4 15117 B13R0.194 CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210326 [0,2,0,0,0,0|0,0,1]=3 15118 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_100000747449_200012276598 [0,2,0,0,0,0|0,0,1]=3 15119 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_200012276598_100000747449 [0,2,0,0,0,0|0,0,1]=3 15120 B13R0.194 CCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000212188 [0,2,0,0,0,0|1,0,1]=4 15121 B13R0.194 CCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000212188 [0,2,0,0,0,0|1,0,1]=4 15122 B13R0.194 CCCCCC(=O)NCCC(=O)NC 527a_100000738227_100000212188 [0,2,0,0,0,0|1,0,1]=4 15123 B13R0.194 CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000212188 [0,2,0,0,0,0|0,0,1]=3 15124 B13R0.194 CCCCCC(C)NCCC(=O)NC 2230a_100000211957_100000737683 [0,2,0,0,0,0|1,0,0]=3 15125 B13R0.194 CCCCCC(C)NCCC(=O)NC 2230a_100000738227_200011218191 [0,2,0,0,0,0|1,0,0]=3 15126 B13R0.194 CCCCCC(C)NCCC(=O)NC 270004a_100000738227_100000211708 [0,2,0,0,0,0|1,0,0]=3 15127 B13R0.194 CCCCCC(C)NCCC(=O)NC 34a_100000738227_200011218191 [0,2,0,0,0,0|1,0,0]=3 15128 B13R0.194 CCCCCC(C)NCCC(=O)OC 2230a_100000211957_100000204255 [0,2,0,0,0,0|0,0,0]=2 15129 B13R0.194 CCCCCC(C)OCCC(=O)NC 34a_100000754576_200011218191 [0,2,0,0,0,0|1,0,0]=3 15130 B13R0.194 CCCCCC(C)OCCC(=O)NC 34a_100011215632_100012179268 [0,2,0,0,0,0|1,0,0]=3 15131 B13R0.194 CCCCCC(C)OCCC(=O)NC 7a_100011215632_100000737683 [0,2,0,0,0,0|1,0,0]=3 15132 B13R0.194 CCCCCC(C)OCCC(=O)OC 34a_100011215632_100000742370 [0,2,0,0,0,0|0,0,0]=2 15133 B13R0.194 CCCCCC(C)OCCC(=O)OC 7a_100011215632_100000204255 [0,2,0,0,0,0|0,0,0]=2 15134 B13R0.194 CCCCCC(C)OCCC(C)OC 7a_100000764861_200011218191 [0,2,0,0,0,0|1,0,1]=4 15135 B13R0.194 CCCCCC(C)SCCC(=O)NC 62a_100000737683_200011218191 [0,2,0,0,0,0|1,0,0]=3 15136 B13R0.194 CCCCCC(C)SCCC(=O)NC 62a_200011218191_100000737683 [0,2,0,0,0,0|1,0,0]=3 15137 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218191 [0,2,0,0,0,0|0,0,0]=2 15138 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_200011218191_100000204255 [0,2,0,0,0,0|0,0,0]=2 15139 B13R0.194 CCCCCC(C)SCOC(=O)OC 62a_200011218191_100000139417 [0,2,0,0,0,0|1,0,0]=3 15140 B13R0.194 CCCCCC(O)CCCC(=O)NC 1626a_100102657272_100020618878 [0,2,0,0,0,0|1,0,0]=3 15141 B13R0.194 CCCCCC(O)CCCC(=O)NC 240690a_100102657272_100020618878 [0,2,0,0,0,0|1,0,0]=3 15142 B13R0.194 CCCCCC(O)CCCC(=O)NC 527a_100102657272_100020618878 [0,2,0,0,0,0|1,0,0]=3 15143 B13R0.194 CCCCCN(C)C/C=C/C(=O)OC 2230a_100000223495_100000742655 [0,2,0,0,0,0|0,0,2]=4 15144 B13R0.194 CCCCCN(C)C/C=C/C(=O)OC 269982a_100000223495_100000742655 [0,2,0,0,0,0|0,0,2]=4 15145 B13R0.194 CCCCCN(C)CCCC(=O)NC 2230a_100000223495_100000741757 [0,2,0,0,0,0|1,0,0]=3 15146 B13R0.194 CCCCCN(C)CCCC(=O)NC 269982a_100000223495_100000741757 [0,2,0,0,0,0|1,0,0]=3 15147 B13R0.194 CCCCCN(C)CCCC(=O)OC 2230a_100000223495_100011218270 [0,2,0,0,0,0|0,0,0]=2 15148 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000223495_100011218270 [0,2,0,0,0,0|0,0,0]=2 15149 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210215 [0,2,0,0,0,0|0,0,0]=2 15150 B13R0.194 CCCCCN(C)CCOC(=O)NC 269982a_100000223495_200011997002 [0,2,0,0,0,0|2,0,0]=4 15151 B13R0.194 CCCCNC(=O)CCCC(=O)OC 11a_100000102301_100000239890 [0,2,0,0,0,0|0,0,1]=3 15152 B13R0.194 CCCCNC(=O)CCCC(=O)OC 1626a_100000102301_100000239890 [0,2,0,0,0,0|0,0,1]=3 15153 B13R0.194 CCCCNC(=O)CCCC(=O)OC 240690a_100000102301_100000239890 [0,2,0,0,0,0|0,0,1]=3 15154 B13R0.194 CCCCNC(=O)CCCC(=O)OC 527a_100000102301_100000239890 [0,2,0,0,0,0|0,0,1]=3 15155 B13R0.194 CCCCNC(=O)CSCC(=O)OC 11a_100000102301_100000191316 [0,2,0,0,0,0|1,0,1]=4 15156 B13R0.194 CCCCNC(=O)CSCC(=O)OC 1626a_100000102301_100000191316 [0,2,0,0,0,0|1,0,1]=4 15157 B13R0.194 CCCCNC(=O)CSCC(=O)OC 240690a_100000102301_100000191316 [0,2,0,0,0,0|1,0,1]=4 15158 B13R0.194 CCCCNC(=O)CSCC(=O)OC 62a_100000182744_100000747449 [0,2,0,0,0,0|1,0,1]=4 15159 B13R0.194 CCCCNC(=O)CSCC(=O)OC 62a_100000747449_100000182744 [0,2,0,0,0,0|1,0,1]=4 15160 B13R0.194 CCCCOC(=O)CSCC(=O)OC 62a_100000211628_100000747449 [0,2,0,0,0,0|1,0,1]=4 15161 B13R0.194 CCCCOC(=O)CSCC(=O)OC 62a_100000747449_100000211628 [0,2,0,0,0,0|1,0,1]=4 15162 B13R0.194 CCCNN=C(C)CCCC(=O)OC 4a_100000740057_100000015542 [0,2,0,0,0,0|1,0,1]=4 15163 B13R0.194 CCCNNC(=O)CCCC(=O)OC 22a_100000740057_100000239890 [0,2,0,0,0,0|1,0,1]=4 15164 B13R0.194 CCCOCC(=O)CCCC(=O)NC 1458a_100000745993_100000741757 [0,2,0,0,0,0|1,0,1]=4 15165 B13R0.194 CCCOCC(=O)CCCC(=O)OC 1458a_100000745993_100011218270 [0,2,0,0,0,0|0,0,1]=3 15166 B13R0.194 CCCOCC(=O)NCCC(=O)OC 188690a_100000683876_100000745993 [0,2,0,0,0,0|1,0,1]=4 15167 B13R0.194 CCCOCC(=O)NCCC(=O)OC 34a_100000210258_100000230212 [0,2,0,0,0,0|1,0,1]=4 15168 B13R0.194 CCCSCC(=O)CCCC(=O)NC 1458a_100000217233_100000741757 [0,2,0,0,0,0|1,0,1]=4 15169 B13R0.194 CCCSCC(=O)CCCC(=O)OC 1458a_100000217233_100011218270 [0,2,0,0,0,0|0,0,1]=3 15170 B13R0.194 CCCSCC(=O)NCCC(=O)OC 188690a_100000683876_100000217233 [0,2,0,0,0,0|1,0,1]=4 15171 B13R0.194 CCCSCC(=O)NCCC(=O)OC 62a_100000210303_100000230212 [0,2,0,0,0,0|1,0,1]=4 15172 B13R0.194 CCCSCC(=O)NCCC(=O)OC 62a_100000230212_100000210303 [0,2,0,0,0,0|1,0,1]=4 15173 B13R0.194 CCCSCC(C)NCCC(=O)NC 270004a_100000738227_100011343953 [0,2,0,0,0,0|2,0,0]=4 15174 B13R0.194 CCOCCC(=O)CCCC(=O)NC 1458a_100000749530_100000741757 [0,2,0,0,0,0|1,0,1]=4 15175 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215890 [0,2,0,0,0,0|0,0,1]=3 15176 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000749530_100011218270 [0,2,0,0,0,0|0,0,1]=3 15177 B13R0.194 CCOCCC(=O)CSCC(=O)OC 1458a_100000191316_100011215890 [0,2,0,0,0,0|1,0,1]=4 15178 B13R0.194 CCOCCC(=O)NCCC(=O)OC 188690a_100000683876_100000749530 [0,2,0,0,0,0|1,0,1]=4 15179 B13R0.194 CCOCCC(C)NCCC(=O)NC 270004a_100000738227_200011216536 [0,2,0,0,0,0|2,0,0]=4 15180 B13R0.194 CCOCCN(C)CCCC(=O)OC 269982a_100000739225_100011215890 [0,2,0,0,0,0|1,0,0]=3 15181 B13R0.194 CCSCCC(=O)CCCC(=O)NC 1458a_100000230768_100000741757 [0,2,0,0,0,0|1,0,1]=4 15182 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000230768_100011218270 [0,2,0,0,0,0|0,0,1]=3 15183 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000239890_100000757381 [0,2,0,0,0,0|0,0,1]=3 15184 B13R0.194 CCSCCC(=O)CSCC(=O)OC 1458a_100000191316_100000757381 [0,2,0,0,0,0|1,0,1]=4 15185 B13R0.194 CCSCCC(=O)NCCC(=O)OC 188690a_100000683876_100000230768 [0,2,0,0,0,0|1,0,1]=4 15186 B13R0.194 CCSCCN(C)CCCC(=O)OC 269982a_100000739225_100000757381 [0,2,0,0,0,0|1,0,0]=3 15187 B13R0.194 CNC(=O)CCCC(=O)CCCCO 1458a_100000695505_100000741757 [0,2,0,0,0,0|1,0,1]=4 15188 B13R0.194 CNC(=O)CCCC(=O)CCCOC 1458a_100000741012_100000741757 [0,2,0,0,0,0|1,0,1]=4 15189 B13R0.194 CNC(=O)CCCC(=O)CCCSC 1458a_100000173376_100000741757 [0,2,0,0,0,0|1,0,1]=4 15190 B13R0.194 CNC(=O)CCCN(C)CCCCO 2230a_100000717598_100000741757 [0,2,0,0,0,0|2,0,0]=4 15191 B13R0.194 CNC(=O)CCCN(C)CCCCO 269982a_100000717598_100000741757 [0,2,0,0,0,0|2,0,0]=4 15192 B13R0.194 CNC(=O)CCCN(C)CCCOC 2230a_100000224831_100000741757 [0,2,0,0,0,0|2,0,0]=4 15193 B13R0.194 CNC(=O)CCCN(C)CCCOC 269982a_100000224831_100000741757 [0,2,0,0,0,0|2,0,0]=4 15194 B13R0.194 CNC(=O)CCNC(C)CCCSC 270004a_100000738227_100011399439 [0,2,0,0,0,0|2,0,0]=4 15195 B13R0.194 CNC(=O)CCOC(C)CCCOC 34a_200011539412_100012179268 [0,2,0,0,0,0|2,0,0]=4 15196 B13R0.194 CNC(=O)CCOC(C)CCCOC 7a_200011539412_100000737683 [0,2,0,0,0,0|2,0,0]=4 15197 B13R0.194 CNC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000183359 [0,2,0,0,0,0|2,0,0]=4 15198 B13R0.194 COC(=O)CCCC(=O)CCCC#N 1458a_100000075515_100011218270 [0,2,0,0,0,0|0,0,2]=4 15199 B13R0.194 COC(=O)CCCC(=O)CCCC#N 1458a_100000239890_100000211468 [0,2,0,0,0,0|0,0,2]=4 15200 B13R0.194 COC(=O)CCCC(=O)CCCCF 1458a_100000239890_100000729493 [0,2,0,0,0,0|0,0,1]=3 15201 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000239890_100000210776 [0,2,0,0,0,0|0,0,1]=3 15202 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011218270 [0,2,0,0,0,0|0,0,1]=3 15203 B13R0.194 COC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011218270 [0,2,0,0,0,0|0,0,1]=3 15204 B13R0.194 COC(=O)CCCC(=O)COCCO 1458a_100000708028_100011218270 [0,2,0,0,0,0|1,0,1]=4 15205 B13R0.194 COC(=O)CCCC(=O)NCCCF 11a_100015189416_100000239890 [0,2,0,0,0,0|1,0,1]=4 15206 B13R0.194 COC(=O)CCCC(=O)NCCCF 1626a_100015189416_100000239890 [0,2,0,0,0,0|1,0,1]=4 15207 B13R0.194 COC(=O)CCCC(=O)NCCCF 240690a_100015189416_100000239890 [0,2,0,0,0,0|1,0,1]=4 15208 B13R0.194 COC(=O)CCCC(=O)NCCCF 527a_100015189416_100000239890 [0,2,0,0,0,0|1,0,1]=4 15209 B13R0.194 COC(=O)CCCC(=O)NCCCO 240690a_100000182051_100000239890 [0,2,0,0,0,0|1,0,1]=4 15210 B13R0.194 COC(=O)CCCC(=O)NCCCO 527a_100000182051_100000239890 [0,2,0,0,0,0|1,0,1]=4 15211 B13R0.194 COC(=O)CCCC(=O)NCCSC 11a_100020590264_100000239890 [0,2,0,0,0,0|1,0,1]=4 15212 B13R0.194 COC(=O)CCCC(=O)NCCSC 1626a_100020590264_100000239890 [0,2,0,0,0,0|1,0,1]=4 15213 B13R0.194 COC(=O)CCCC(=O)NCCSC 240690a_100020590264_100000239890 [0,2,0,0,0,0|1,0,1]=4 15214 B13R0.194 COC(=O)CCCC(=O)NCCSC 527a_100020590264_100000239890 [0,2,0,0,0,0|1,0,1]=4 15215 B13R0.194 COC(=O)CCCN(C)CCCC#N 269982a_100000739225_100000687738 [0,2,0,0,0,0|1,0,1]=4 15216 B13R0.194 COC(=O)CCCN(C)CCCC=O 269982a_100000739225_200011292268 [0,2,0,0,0,0|1,0,1]=4 15217 B13R0.194 COC(=O)CCCN(C)CCCCF 269982a_100000739225_100000729493 [0,2,0,0,0,0|1,0,0]=3 15218 B13R0.194 COC(=O)CCCN(C)CCCCO 2230a_100000717598_100011218270 [0,2,0,0,0,0|1,0,0]=3 15219 B13R0.194 COC(=O)CCCN(C)CCCCO 269982a_100000717598_100011218270 [0,2,0,0,0,0|1,0,0]=3 15220 B13R0.194 COC(=O)CCCN(C)CCCCO 269982a_100000739225_100000210776 [0,2,0,0,0,0|1,0,0]=3 15221 B13R0.194 COC(=O)CCNC(=O)CCCCO 188690a_100000683876_100000695505 [0,2,0,0,0,0|1,0,1]=4 15222 B13R0.194 COC(=O)CCNC(=O)CCCSC 188690a_100000683876_100000173376 [0,2,0,0,0,0|1,0,1]=4 15223 B13R0.194 COC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000747449 [0,2,0,0,0,0|1,0,0]=3 15224 B13R0.194 COC(=O)CSCC(=O)CCCCF 1458a_100000191316_100000729493 [0,2,0,0,0,0|1,0,1]=4 15225 B13R0.194 COC(=O)CSCC(=O)CCCCO 1458a_100000191316_100000210776 [0,2,0,0,0,0|1,0,1]=4 15226 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000740836 [0,2,0,0,0,0|0,0,1]=3 15227 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000741012_100011218270 [0,2,0,0,0,0|0,0,1]=3 15228 B13R0.194 COCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000740836 [0,2,0,0,0,0|1,0,1]=4 15229 B13R0.194 COCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000741012 [0,2,0,0,0,0|1,0,1]=4 15230 B13R0.194 COCCCC(C)OCCC(=O)OC 34a_200011539412_100000742370 [0,2,0,0,0,0|1,0,0]=3 15231 B13R0.194 COCCCC(C)OCCC(=O)OC 7a_200011539412_100000204255 [0,2,0,0,0,0|1,0,0]=3 15232 B13R0.194 COCCCN(C)CCCC(=O)OC 2230a_100000224831_100011218270 [0,2,0,0,0,0|1,0,0]=3 15233 B13R0.194 COCCCN(C)CCCC(=O)OC 269982a_100000224831_100011218270 [0,2,0,0,0,0|1,0,0]=3 15234 B13R0.194 COCCCN(C)CCCC(=O)OC 269982a_100000739225_100000740836 [0,2,0,0,0,0|1,0,0]=3 15235 B13R0.194 COCCNC(=O)CCCC(=O)OC 1626a_100000209980_100000239890 [0,2,0,0,0,0|1,0,1]=4 15236 B13R0.194 COCCNC(=O)CCCC(=O)OC 240690a_100000209980_100000239890 [0,2,0,0,0,0|1,0,1]=4 15237 B13R0.194 COCCNC(=O)CCCC(=O)OC 527a_100000209980_100000239890 [0,2,0,0,0,0|1,0,1]=4 15238 B13R0.208 C=C(C)CCC(=O)CCCC(=O)OC 1458a_100000239890_100000730704 [0,2,0,0,0,0|0,0,2]=4 15239 B13R0.208 C=C(C)CCC(=O)CCCC(=O)OC 1458a_200000688413_100011218270 [0,2,0,0,0,0|0,0,2]=4 15240 B13R0.208 C=C(C)CCN(C)CCCC(=O)OC 269982a_100000739225_100000730704 [0,2,0,0,0,0|1,0,1]=4 15241 B13R0.208 CNC(=O)CCCC(=O)CCC(C)C 1458a_100000181311_100000741757 [0,2,0,0,0,0|1,0,1]=4 15242 B13R0.208 CNC(=O)CCCN(C)CCC(C)C 2230a_100000742789_100000741757 [0,2,0,0,0,0|2,0,0]=4 15243 B13R0.208 CNC(=O)CCCN(C)CCC(C)C 269982a_100000742789_100000741757 [0,2,0,0,0,0|2,0,0]=4 15244 B13R0.208 CNC(=O)CCNC(C)CCC(C)C 2230a_100000738227_100011261404 [0,2,0,0,0,0|2,0,0]=4 15245 B13R0.208 CNC(=O)CCNC(C)CCC(C)C 2230a_100138410893_100000737683 [0,2,0,0,0,0|2,0,0]=4 15246 B13R0.208 CNC(=O)CCNC(C)CCC(C)C 270004a_100000738227_100000210476 [0,2,0,0,0,0|2,0,0]=4 15247 B13R0.208 CNC(=O)CCNC(C)CCC(C)C 34a_100000738227_100011261404 [0,2,0,0,0,0|2,0,0]=4 15248 B13R0.208 CNC(=O)CCOC(C)CCC(C)C 34a_100000754576_100011261404 [0,2,0,0,0,0|2,0,0]=4 15249 B13R0.208 CNC(=O)CCOC(C)CCC(C)C 34a_100011215350_100012179268 [0,2,0,0,0,0|2,0,0]=4 15250 B13R0.208 CNC(=O)CCOC(C)CCC(C)C 7a_100011215350_100000737683 [0,2,0,0,0,0|2,0,0]=4 15251 B13R0.208 CNC(=O)CCSC(C)CCC(C)C 62a_100000737683_100011261404 [0,2,0,0,0,0|2,0,0]=4 15252 B13R0.208 CNC(=O)CCSC(C)CCC(C)C 62a_100011261404_100000737683 [0,2,0,0,0,0|2,0,0]=4 15253 B13R0.208 COC(=O)CCCC(=O)CCC(C)C 1458a_100000181311_100011218270 [0,2,0,0,0,0|0,0,1]=3 15254 B13R0.208 COC(=O)CCCC(=O)CCC(C)C 1458a_100000239890_100000210312 [0,2,0,0,0,0|0,0,1]=3 15255 B13R0.208 COC(=O)CCCC(=O)CCC(C)O 1458a_100000239890_100012276601 [0,2,0,0,0,0|0,0,1]=3 15256 B13R0.208 COC(=O)CCCC(=O)CC[S+](C)C 1458a_100009452791_100011218270 [0,2,0,0,0,0|1,0,1]=4 15257 B13R0.208 COC(=O)CCCC(=O)COC(C)C 1458a_100000745533_100011218270 [0,2,0,0,0,0|1,0,1]=4 15258 B13R0.208 COC(=O)CCCC(=O)CSC(C)C 1458a_100000241585_100011218270 [0,2,0,0,0,0|1,0,1]=4 15259 B13R0.208 COC(=O)CCCC(=O)NCC(C)C 11a_100000210953_100000239890 [0,2,0,0,0,0|1,0,1]=4 15260 B13R0.208 COC(=O)CCCC(=O)NCC(C)C 1626a_100000210953_100000239890 [0,2,0,0,0,0|1,0,1]=4 15261 B13R0.208 COC(=O)CCCC(=O)NCC(C)C 240690a_100000210953_100000239890 [0,2,0,0,0,0|1,0,1]=4 15262 B13R0.208 COC(=O)CCCC(=O)NCC(C)C 527a_100000210953_100000239890 [0,2,0,0,0,0|1,0,1]=4 15263 B13R0.208 COC(=O)CCCC(=O)NCC(C)O 11a_100000210904_100000239890 [0,2,0,0,0,0|1,0,1]=4 15264 B13R0.208 COC(=O)CCCC(=O)NCC(C)O 240690a_100000210904_100000239890 [0,2,0,0,0,0|1,0,1]=4 15265 B13R0.208 COC(=O)CCCC(=O)NCC(C)O 527a_100000210904_100000239890 [0,2,0,0,0,0|1,0,1]=4 15266 B13R0.208 COC(=O)CCCN(C)CCC(=O)C 269982a_100000739225_100000053229 [0,2,0,0,0,0|1,0,1]=4 15267 B13R0.208 COC(=O)CCCN(C)CCC(C)C 2230a_100000742789_100011218270 [0,2,0,0,0,0|1,0,0]=3 15268 B13R0.208 COC(=O)CCCN(C)CCC(C)C 269982a_100000739225_100000210312 [0,2,0,0,0,0|1,0,0]=3 15269 B13R0.208 COC(=O)CCCN(C)CCC(C)C 269982a_100000742789_100011218270 [0,2,0,0,0,0|1,0,0]=3 15270 B13R0.208 COC(=O)CCCN(C)CCC(C)O 269982a_100000739225_100012276601 [0,2,0,0,0,0|1,0,0]=3 15271 B13R0.208 COC(=O)CCCN(C)CCN(C)C 269982a_100000225618_100011218270 [0,2,0,0,0,0|2,0,0]=4 15272 B13R0.208 COC(=O)CCCN(C)CCN(C)C 269982a_100000739225_100000755713 [0,2,0,0,0,0|2,0,0]=4 15273 B13R0.208 COC(=O)CCCN(C)COC(C)C 269982a_100000739225_100000709892 [0,2,0,0,0,0|2,0,0]=4 15274 B13R0.208 COC(=O)CCNC(=O)CCC(C)C 188690a_100000683876_100000181311 [0,2,0,0,0,0|1,0,1]=4 15275 B13R0.208 COC(=O)CCNC(=O)CCC(C)O 188690a_100000683876_100000718519 [0,2,0,0,0,0|1,0,1]=4 15276 B13R0.208 COC(=O)CCNC(C)CCC(C)C 2230a_100138410893_100000204255 [0,2,0,0,0,0|1,0,0]=3 15277 B13R0.208 COC(=O)CCOC(C)CCC(C)C 34a_100011215350_100000742370 [0,2,0,0,0,0|1,0,0]=3 15278 B13R0.208 COC(=O)CCOC(C)CCC(C)C 7a_100011215350_100000204255 [0,2,0,0,0,0|1,0,0]=3 15279 B13R0.208 COC(=O)CCSC(C)CCC(C)C 62a_100000204255_100011261404 [0,2,0,0,0,0|1,0,0]=3 15280 B13R0.208 COC(=O)CCSC(C)CCC(C)C 62a_100011261404_100000204255 [0,2,0,0,0,0|1,0,0]=3 15281 B13R0.208 COC(=O)CSCC(=O)CCC(C)C 1458a_100000191316_100000210312 [0,2,0,0,0,0|1,0,1]=4 15282 B13R0.208 COC(=O)CSCC(=O)CCC(C)O 1458a_100000191316_100012276601 [0,2,0,0,0,0|1,0,1]=4 15283 B13R0.208 COC(=O)OCSC(C)CCC(C)C 62a_100011261404_100000139417 [0,2,0,0,0,0|2,0,0]=4 15284 B13R0.267 CCCC(=O)N(C)CCCC(=O)OC 240690a_100000739225_100000211992 [0,2,0,0,0,0|1,0,1]=4 15285 B13R0.267 CCCC(=O)N(C)CCCC(=O)OC 527a_100000739225_100000211992 [0,2,0,0,0,0|1,0,1]=4 15286 B13R0.267 CCCC(C)C(=O)CCCC(=O)NC 1458a_100000210906_100000741757 [0,2,0,0,0,0|1,0,1]=4 15287 B13R0.267 CCCC(C)C(=O)CCCC(=O)OC 1458a_100000210906_100011218270 [0,2,0,0,0,0|0,0,1]=3 15288 B13R0.267 CCCC(C)C(=O)CCCC(=O)OC 1458a_100000239890_100000766640 [0,2,0,0,0,0|0,0,1]=3 15289 B13R0.267 CCCC(C)C(=O)CSCC(=O)OC 1458a_100000191316_100000766640 [0,2,0,0,0,0|1,0,1]=4 15290 B13R0.267 CCCC(C)C(=O)NCCC(=O)OC 188690a_100000683876_100000210906 [0,2,0,0,0,0|1,0,1]=4 15291 B13R0.267 CCCC(C)C(C)NCCC(=O)NC 270004a_100000738227_100011216282 [0,2,0,0,0,0|2,0,0]=4 15292 B13R0.267 CCCC(C)C(C)OCCC(=O)NC 34a_100000708338_100012179268 [0,2,0,0,0,0|2,0,0]=4 15293 B13R0.267 CCCC(C)C(C)OCCC(=O)NC 7a_100000708338_100000737683 [0,2,0,0,0,0|2,0,0]=4 15294 B13R0.267 CCCC(C)C(C)OCCC(=O)OC 34a_100000708338_100000742370 [0,2,0,0,0,0|1,0,0]=3 15295 B13R0.267 CCCC(C)C(C)OCCC(=O)OC 7a_100000708338_100000204255 [0,2,0,0,0,0|1,0,0]=3 15296 B13R0.267 CCCC(C)N(C)CCCC(=O)OC 269982a_100000739225_100000766640 [0,2,0,0,0,0|1,0,0]=3 15297 B13R0.267 CCCN(C)C(=O)CCCC(=O)OC 11a_100000747261_100000239890 [0,2,0,0,0,0|1,0,1]=4 15298 B13R0.267 CCCN(C)C(=O)CCCC(=O)OC 1626a_100000747261_100000239890 [0,2,0,0,0,0|1,0,1]=4 15299 B13R0.267 CCCN(C)C(=O)CCCC(=O)OC 240690a_100000747261_100000239890 [0,2,0,0,0,0|1,0,1]=4 15300 B13R0.267 CCCN(C)C(=O)CCCC(=O)OC 527a_100000747261_100000239890 [0,2,0,0,0,0|1,0,1]=4 15301 B13R0.267 CCC[C@H](O)C(=O)CCCC(=O)NC 1458a_100009822183_100000741757 [0,2,0,0,0,0|1,0,1]=4 15302 B13R0.267 CCC[C@H](O)C(=O)CCCC(=O)OC 1458a_100009822183_100011218270 [0,2,0,0,0,0|0,0,1]=3 15303 B13R0.267 CCC[C@H](O)C(=O)NCCC(=O)OC 188690a_100000683876_100009822183 [0,2,0,0,0,0|1,0,1]=4 15304 B13R0.267 CCOC(C)C(=O)CCCC(=O)OC 1458a_100000739345_100011218270 [0,2,0,0,0,0|1,0,1]=4 15305 B13R0.267 CCSC(C)C(=O)CCCC(=O)OC 1458a_100000230601_100011218270 [0,2,0,0,0,0|1,0,1]=4 15306 B13R0.267 COC(=O)CCCC(=O)C(C)CCO 1458a_100000239890_100009893172 [0,2,0,0,0,0|1,0,1]=4 15307 B13R0.267 COC(=O)CCCC(=O)C(C)CSC 1458a_100000753918_100011218270 [0,2,0,0,0,0|1,0,1]=4 15308 B13R0.267 COC(=O)CCCN(C)C(C)CCO 2230a_100000731037_100011218270 [0,2,0,0,0,0|2,0,0]=4 15309 B13R0.267 COC(=O)CCCN(C)C(C)CCO 269982a_100000731037_100011218270 [0,2,0,0,0,0|2,0,0]=4 15310 B13R0.267 COC(=O)CCCN(C)C(C)CCO 269982a_100000739225_100009893172 [0,2,0,0,0,0|2,0,0]=4 15311 B13R0.267 COCC(C)C(=O)CCCC(=O)OC 1458a_100000239890_100000765312 [0,2,0,0,0,0|1,0,1]=4 15312 B13R0.267 COCC(C)C(=O)CCCC(=O)OC 1458a_100000751857_100011218270 [0,2,0,0,0,0|1,0,1]=4 15313 B13R0.267 COCC(C)N(C)CCCC(=O)OC 269982a_100000739225_100000765312 [0,2,0,0,0,0|2,0,0]=4 15314 B13R0.306 C#CC(CCCC)OCCC(=O)NC 34a_200011217967_100012179268 [0,2,0,0,0,0|2,0,0]=4 15315 B13R0.306 C#CC(CCCC)OCCC(=O)NC 7a_200011217967_100000737683 [0,2,0,0,0,0|2,0,0]=4 15316 B13R0.306 C#CC(CCCC)OCCC(=O)OC 34a_200011217967_100000742370 [0,2,0,0,0,0|1,0,0]=3 15317 B13R0.306 C#CC(CCCC)OCCC(=O)OC 7a_200011217967_100000204255 [0,2,0,0,0,0|1,0,0]=3 15318 B13R0.306 C=CC(CCCC)OCCC(=O)NC 34a_200011215037_100012179268 [0,2,0,0,0,0|2,0,0]=4 15319 B13R0.306 C=CC(CCCC)OCCC(=O)NC 7a_200011215037_100000737683 [0,2,0,0,0,0|2,0,0]=4 15320 B13R0.306 C=CC(CCCC)OCCC(=O)OC 34a_200011215037_100000742370 [0,2,0,0,0,0|1,0,0]=3 15321 B13R0.306 C=CC(CCCC)OCCC(=O)OC 7a_200011215037_100000204255 [0,2,0,0,0,0|1,0,0]=3 15322 B13R0.306 CCCCC(CC)CNCC(=O)NC 2230a_100000209976_100000183359 [0,2,0,0,0,0|2,0,0]=4 15323 B13R0.306 CCCCC(CC)CNCC(=O)NC 2230a_100000693194_100000211942 [0,2,0,0,0,0|2,0,0]=4 15324 B13R0.306 CCCCC(CC)CNCC(=O)NC 269862a_100000693194_100011219736 [0,2,0,0,0,0|2,0,0]=4 15325 B13R0.306 CCCCC(CC)CNCC(=O)NC 270004a_100000693194_100011219736 [0,2,0,0,0,0|2,0,0]=4 15326 B13R0.306 CCCCC(CC)CNCC(=O)OC 2230a_100000209976_100000747449 [0,2,0,0,0,0|1,0,0]=3 15327 B13R0.306 CCCCC(CC)COCC(=O)CC 34a_100000725409_100000211942 [0,2,0,0,0,0|2,0,0]=4 15328 B13R0.306 CCCCC(CC)COCC(=O)CC 7a_100000210273_100000747405 [0,2,0,0,0,0|2,0,0]=4 15329 B13R0.306 CCCCC(CC)COCC(=O)NC 34a_100000210273_100000183359 [0,2,0,0,0,0|2,0,0]=4 15330 B13R0.306 CCCCC(CC)COCC(=O)NC 34a_100000750040_100000211942 [0,2,0,0,0,0|2,0,0]=4 15331 B13R0.306 CCCCC(CC)COCC(=O)NC 7a_100000210273_100000183359 [0,2,0,0,0,0|2,0,0]=4 15332 B13R0.306 CCCCC(CC)COCC(=O)OC 34a_100000210273_100000747449 [0,2,0,0,0,0|1,0,0]=3 15333 B13R0.306 CCCCC(CC)COCC(=O)OC 7a_100000210273_100000747449 [0,2,0,0,0,0|1,0,0]=3 15334 B13R0.306 CCCCC(CC)CSCC(=O)CC 62a_100000211942_100000747405 [0,2,0,0,0,0|2,0,0]=4 15335 B13R0.306 CCCCC(CC)CSCC(=O)CC 62a_100000747405_100000211942 [0,2,0,0,0,0|2,0,0]=4 15336 B13R0.306 CCCCC(CC)CSCC(=O)NC 62a_100000183359_100000211942 [0,2,0,0,0,0|2,0,0]=4 15337 B13R0.306 CCCCC(CC)CSCC(=O)NC 62a_100000211942_100000183359 [0,2,0,0,0,0|2,0,0]=4 15338 B13R0.306 CCCCC(CC)CSCC(=O)OC 62a_100000211942_100000747449 [0,2,0,0,0,0|1,0,0]=3 15339 B13R0.306 CCCCC(CC)CSCC(=O)OC 62a_100000747449_100000211942 [0,2,0,0,0,0|1,0,0]=3 15340 B13R0.306 CCCCC(CC)NCCC(=O)NC 270004a_100000738227_100000753412 [0,2,0,0,0,0|2,0,0]=4 15341 B13R0.306 CCCCC(CC)NCCC(=O)NC 34a_100000738227_200011216223 [0,2,0,0,0,0|2,0,0]=4 15342 B13R0.306 CCCCC(CC)OCCC(=O)NC 34a_100000754576_200011216223 [0,2,0,0,0,0|2,0,0]=4 15343 B13R0.306 CCCCC(CC)OCCC(=O)NC 34a_100011215227_100012179268 [0,2,0,0,0,0|2,0,0]=4 15344 B13R0.306 CCCCC(CC)OCCC(=O)NC 7a_100011215227_100000737683 [0,2,0,0,0,0|2,0,0]=4 15345 B13R0.306 CCCCC(CC)OCCC(=O)OC 34a_100011215227_100000742370 [0,2,0,0,0,0|1,0,0]=3 15346 B13R0.306 CCCCC(CC)OCCC(=O)OC 7a_100011215227_100000204255 [0,2,0,0,0,0|1,0,0]=3 15347 B13R0.306 CCCCC(CC)SCCC(=O)NC 62a_100000737683_200011216223 [0,2,0,0,0,0|2,0,0]=4 15348 B13R0.306 CCCCC(CC)SCCC(=O)NC 62a_200011216223_100000737683 [0,2,0,0,0,0|2,0,0]=4 15349 B13R0.306 CCCCC(CC)SCCC(=O)OC 62a_100000204255_200011216223 [0,2,0,0,0,0|1,0,0]=3 15350 B13R0.306 CCCCC(CC)SCCC(=O)OC 62a_200011216223_100000204255 [0,2,0,0,0,0|1,0,0]=3 15351 B13R0.306 CCCCC(CC)SCOC(=O)OC 62a_200011216223_100000139417 [0,2,0,0,0,0|2,0,0]=4 15352 B13R0.306 CCCCN(CC)CCCC(=O)NC 2230a_100000207695_100000741757 [0,2,0,0,0,0|2,0,0]=4 15353 B13R0.306 CCCCN(CC)CCCC(=O)NC 269982a_100000207695_100000741757 [0,2,0,0,0,0|2,0,0]=4 15354 B13R0.306 CCCCN(CC)CCCC(=O)OC 2230a_100000207695_100011218270 [0,2,0,0,0,0|1,0,0]=3 15355 B13R0.306 CCCCN(CC)CCCC(=O)OC 269982a_100000207695_100011218270 [0,2,0,0,0,0|1,0,0]=3 15356 B13R0.306 CCCC[C@@H](CO)NCCC(=O)NC 2230a_100011934283_100000737683 [0,2,0,0,0,0|2,0,0]=4 15357 B13R0.306 CCCC[C@@H](CO)NCCC(=O)NC 34a_100011934283_100012179268 [0,2,0,0,0,0|2,0,0]=4 15358 B13R0.306 CCCC[C@@H](CO)NCCC(=O)OC 2230a_100011934283_100000204255 [0,2,0,0,0,0|1,0,0]=3 15359 B13R0.306 CCCC[C@@H](CO)NCCC(=O)OC 34a_100011934283_100000742370 [0,2,0,0,0,0|1,0,0]=3 15360 B13R0.306 CCN(CCCC(=O)OC)CCOC 2230a_100000731262_100011218270 [0,2,0,0,0,0|2,0,0]=4 15361 B13R0.306 CCN(CCCC(=O)OC)CCOC 269982a_100000731262_100011218270 [0,2,0,0,0,0|2,0,0]=4 15362 B13R0.306 CCOCC(CN)OCCC(=O)OC 34a_102515437182_100000742370 [0,2,0,0,0,0|2,0,0]=4 15363 B13R0.306 COC(=O)CCN[C@H](CO)CCSC 2230a_100011827619_100000204255 [0,2,0,0,0,0|2,0,0]=4 15364 B13R0.429 CCC(=O)CC(=O)CCCC(=O)OC 1458a_100000239890_100000747405 [0,2,0,0,0,0|0,0,2]=4 15365 B13R0.429 CCC(=O)CN(C)CCCC(=O)OC 269982a_100000739225_100000747405 [0,2,0,0,0,0|1,0,1]=4 15366 B13R0.429 CCC(=O)COC[C@H](O)CC(=O)OC 34a_100000725409_100000754131 [0,2,0,0,0,0|1,0,1]=4 15367 B13R0.429 CCC(=O)CSC[C@H](O)CC(=O)OC 62a_100000747405_100000754131 [0,2,0,0,0,0|1,0,1]=4 15368 B13R0.429 CCC(=O)CSC[C@H](O)CC(=O)OC 62a_100000754131_100000747405 [0,2,0,0,0,0|1,0,1]=4 15369 B13R0.429 CCC(C)CC(=O)CCCC(=O)NC 1458a_100000708755_100000741757 [0,2,0,0,0,0|1,0,1]=4 15370 B13R0.429 CCC(C)CC(=O)CCCC(=O)OC 1458a_100000239890_100000748023 [0,2,0,0,0,0|0,0,1]=3 15371 B13R0.429 CCC(C)CC(=O)CCCC(=O)OC 1458a_100000708755_100011218270 [0,2,0,0,0,0|0,0,1]=3 15372 B13R0.429 CCC(C)CC(=O)CSCC(=O)OC 1458a_100000191316_100000748023 [0,2,0,0,0,0|1,0,1]=4 15373 B13R0.429 CCC(C)CC(=O)NCCC(=O)OC 188690a_100000683876_100000708755 [0,2,0,0,0,0|1,0,1]=4 15374 B13R0.429 CCC(C)CC(C)NCCC(=O)NC 2230a_100000763565_100000737683 [0,2,0,0,0,0|2,0,0]=4 15375 B13R0.429 CCC(C)CC(C)NCCC(=O)NC 270004a_100000738227_100011710205 [0,2,0,0,0,0|2,0,0]=4 15376 B13R0.429 CCC(C)CC(C)NCCC(=O)OC 2230a_100000763565_100000204255 [0,2,0,0,0,0|1,0,0]=3 15377 B13R0.429 CCC(C)CCNC(=O)CC(=O)OC 240690a_100020591266_100000211351 [0,2,0,0,0,0|1,0,1]=4 15378 B13R0.429 CCC(C)CCNC(C)CC(=O)OC 2230a_100020591266_100009817358 [0,2,0,0,0,0|1,0,0]=3 15379 B13R0.429 CCC(C)CCOC(C)CC(=O)OC 7a_100011215188_100009817358 [0,2,0,0,0,0|1,0,0]=3 15380 B13R0.429 CCC(C)CN(C)CCCC(=O)NC 2230a_100000753921_100000741757 [0,2,0,0,0,0|2,0,0]=4 15381 B13R0.429 CCC(C)CN(C)CCCC(=O)NC 269982a_100000753921_100000741757 [0,2,0,0,0,0|2,0,0]=4 15382 B13R0.429 CCC(C)CN(C)CCCC(=O)OC 2230a_100000753921_100011218270 [0,2,0,0,0,0|1,0,0]=3 15383 B13R0.429 CCC(C)CN(C)CCCC(=O)OC 269982a_100000739225_100000748023 [0,2,0,0,0,0|1,0,0]=3 15384 B13R0.429 CCC(C)CN(C)CCCC(=O)OC 269982a_100000753921_100011218270 [0,2,0,0,0,0|1,0,0]=3 15385 B13R0.429 CCC(C)CSCC(=O)CC(=O)OC 62a_100000210525_100000748023 [0,2,0,0,0,0|1,0,1]=4 15386 B13R0.429 CCC(C)CSCC(=O)CC(=O)OC 62a_100000748023_100000210525 [0,2,0,0,0,0|1,0,1]=4 15387 B13R0.429 CCC(C)CSC[C@H](O)CC(=O)OC 62a_100000748023_100000754131 [0,2,0,0,0,0|1,0,0]=3 15388 B13R0.429 CCC(C)CSC[C@H](O)CC(=O)OC 62a_100000754131_100000748023 [0,2,0,0,0,0|1,0,0]=3 15389 B13R0.429 CCC(C)NC(=O)CCCC(=O)OC 11a_100000209981_100000239890 [0,2,0,0,0,0|1,0,1]=4 15390 B13R0.429 CCC(C)NC(=O)CCCC(=O)OC 1626a_100000209981_100000239890 [0,2,0,0,0,0|1,0,1]=4 15391 B13R0.429 CCC(C)NC(=O)CCCC(=O)OC 240690a_100000209981_100000239890 [0,2,0,0,0,0|1,0,1]=4 15392 B13R0.429 CCC(C)NC(=O)CCCC(=O)OC 527a_100000209981_100000239890 [0,2,0,0,0,0|1,0,1]=4 15393 B13R0.429 CCC(O)CC(=O)CCCC(=O)NC 1458a_100011667805_100000741757 [0,2,0,0,0,0|1,0,1]=4 15394 B13R0.429 CCC(O)CC(=O)CCCC(=O)OC 1458a_100000239890_100011218378 [0,2,0,0,0,0|0,0,1]=3 15395 B13R0.429 CCC(O)CC(=O)CCCC(=O)OC 1458a_100011667805_100011218270 [0,2,0,0,0,0|0,0,1]=3 15396 B13R0.429 CCC(O)CC(=O)CSCC(=O)OC 1458a_100000191316_100011218378 [0,2,0,0,0,0|1,0,1]=4 15397 B13R0.429 CCC(O)CC(=O)NCCC(=O)OC 188690a_100000683876_100011667805 [0,2,0,0,0,0|1,0,1]=4 15398 B13R0.429 CCC(O)CN(C)CCCC(=O)OC 269982a_100000739225_100011218378 [0,2,0,0,0,0|1,0,0]=3 15399 B13R0.429 CCC(O)CSCC(=O)CC(=O)OC 62a_100000210525_100011218378 [0,2,0,0,0,0|1,0,1]=4 15400 B13R0.429 CCC(O)CSCC(=O)CC(=O)OC 62a_100011218378_100000210525 [0,2,0,0,0,0|1,0,1]=4 15401 B13R0.429 CCC(O)CSC[C@H](O)CC(=O)OC 62a_100000754131_100011218378 [0,2,0,0,0,0|1,0,0]=3 15402 B13R0.429 CCC(O)CSC[C@H](O)CC(=O)OC 62a_100011218378_100000754131 [0,2,0,0,0,0|1,0,0]=3 15403 B13R0.429 CCN(C)CC(=O)CCCC(=O)OC 1458a_100116209913_100011218270 [0,2,0,0,0,0|1,0,1]=4 15404 B13R0.429 CCN(C)CCCC(=O)CC(=O)OC 1458a_100000211351_100015186262 [0,2,0,0,0,0|1,0,1]=4 15405 B13R0.429 CCN(C)CCCN(C)CC(=O)OC 2230a_100000198492_100015186262 [0,2,0,0,0,0|2,0,0]=4 15406 B13R0.429 CC[C@H](C)CC(=O)CCCC(=O)OC 1458a_100000239890_100009816398 [0,2,0,0,0,0|0,0,1]=3 15407 B13R0.429 CC[C@H](C)CC(=O)CSCC(=O)OC 1458a_100000191316_100009816398 [0,2,0,0,0,0|1,0,1]=4 15408 B13R0.429 CC[C@H](C)CN(C)CCCC(=O)OC 269982a_100000739225_100009816398 [0,2,0,0,0,0|1,0,0]=3 15409 B13R0.429 CC[C@H](C)COC[C@H](O)CC(=O)OC 7a_100009816381_100000754131 [0,2,0,0,0,0|1,0,0]=3 15410 B13R0.429 CC[C@H](C)CSCC(=O)CC(=O)OC 62a_100000210525_100009816398 [0,2,0,0,0,0|1,0,1]=4 15411 B13R0.429 CC[C@H](C)CSCC(=O)CC(=O)OC 62a_100009816398_100000210525 [0,2,0,0,0,0|1,0,1]=4 15412 B13R0.429 CC[C@H](C)CSC[C@H](O)CC(=O)OC 62a_100000754131_100009816398 [0,2,0,0,0,0|1,0,0]=3 15413 B13R0.429 CC[C@H](C)CSC[C@H](O)CC(=O)OC 62a_100009816398_100000754131 [0,2,0,0,0,0|1,0,0]=3 15414 B13R0.429 COC(=O)CC(C)NCCC(C)CO 2230a_106354213184_100009817358 [0,2,0,0,0,0|2,0,0]=4 15415 B13R0.429 COC(=O)CC(C)NCCC(C)CO 34a_106354213184_100009817358 [0,2,0,0,0,0|2,0,0]=4 15416 B13R0.429 COC(=O)CC(C)OCCC(C)OC 7a_100000764861_100009817358 [0,2,0,0,0,0|2,0,0]=4 15417 B13R0.429 COC(=O)CCCC(=O)C[C@@H](C)CO 1458a_100000239890_100000059175 [0,2,0,0,0,0|1,0,1]=4 15418 B13R0.429 COC(=O)CCCN(C)CC(O)CO 2230a_100011216503_100011218270 [0,2,0,0,0,0|2,0,0]=4 15419 B13R0.429 COC(=O)CCCN(C)CC(O)CO 269982a_100011216503_100011218270 [0,2,0,0,0,0|2,0,0]=4 15420 B13R0.429 COC(=O)CCCN(C)C[C@@H](C)CO 269982a_100000739225_100000059175 [0,2,0,0,0,0|2,0,0]=4 15421 B13R0.429 COC(=O)C[C@@H](O)CNCC(C)CO 34a_100000744482_100000754131 [0,2,0,0,0,0|2,0,0]=4 15422 B13R0.429 COC(=O)C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100000754131 [0,2,0,0,0,0|2,0,0]=4 15423 B13R0.429 COC(=O)C[C@@H](O)COCC(C)CN 34a_100000744482_100000754131 [0,2,0,0,0,0|2,0,0]=4 15424 B13R0.429 COC(=O)C[C@@H](O)COCC(C)OC 34a_100000690652_100000754131 [0,2,0,0,0,0|2,0,0]=4 15425 B13R0.429 COC(=O)C[C@@H](O)COCC(Cl)CCl 34a_100000033668_100000754131 [0,2,0,0,0,0|2,0,0]=4 15426 B13R0.429 COC(=O)C[C@@H](O)COC[C@H](F)CN 34a_100015665980_100000754131 [0,2,0,0,0,0|2,0,0]=4 15427 B13R0.429 COC(=O)C[C@@H](O)CSCC(O)CO 62a_100000754131_100011219619 [0,2,0,0,0,0|2,0,0]=4 15428 B13R0.429 COC(=O)C[C@@H](O)CSCC(O)CO 62a_100011219619_100000754131 [0,2,0,0,0,0|2,0,0]=4 15429 B13R0.429 COC(=O)C[C@@H](O)CSC[C@@H](C)CO 62a_100000059175_100000754131 [0,2,0,0,0,0|2,0,0]=4 15430 B13R0.429 COC(=O)C[C@@H](O)CSC[C@@H](C)CO 62a_100000754131_100000059175 [0,2,0,0,0,0|2,0,0]=4 15431 B13R0.429 COC(=O)C[C@@H](O)CSC[C@@H](O)CF 62a_100000754131_100015614560 [0,2,0,0,0,0|2,0,0]=4 15432 B13R0.429 COC(=O)C[C@@H](O)CSC[C@@H](O)CF 62a_100015614560_100000754131 [0,2,0,0,0,0|2,0,0]=4 15433 B13R0.429 COC(=O)C[C@@H](O)CSC[C@@H](O)CO 62a_100000754131_100009815848 [0,2,0,0,0,0|2,0,0]=4 15434 B13R0.429 COC(=O)C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100000754131 [0,2,0,0,0,0|2,0,0]=4 15435 B13R0.462 CCCCC(C)(C)COCC(=O)CC 7a_200011995781_100000747405 [0,2,0,0,0,0|2,0,0]=4 15436 B13R0.462 CCCCC(C)(C)COCC(=O)NC 7a_200011995781_100000183359 [0,2,0,0,0,0|2,0,0]=4 15437 B13R0.462 CCCCC(C)(C)COCC(=O)OC 7a_200011995781_100000747449 [0,2,0,0,0,0|1,0,0]=3 15438 B13R0.462 CCCCC(C)(C)OCCC(=O)NC 7a_100011219641_100000737683 [0,2,0,0,0,0|2,0,0]=4 15439 B13R0.462 CCCCC(C)(C)OCCC(=O)OC 7a_100011219641_100000204255 [0,2,0,0,0,0|1,0,0]=3 15440 B13R0.462 CCCC[Si](C)(C)CSCC(=O)OC 62a_100000747449_200000073895 [0,2,0,0,0,0|1,1,0]=4 15441 B13R0.462 CCCC[Si](C)(C)CSCC(=O)OC 62a_200000073895_100000747449 [0,2,0,0,0,0|1,1,0]=4 15442 B13R0.462 COC(=O)CCOC(C)(C)CCCBr 7a_100009888830_100000204255 [0,2,0,0,0,0|2,0,0]=4 15443 B13R0.17 CCCC(=O)CSC(C)CC(=O)OC 62a_100000747444_100009817358 [0,2,0,0,0,0|1,0,1]=4 15444 B13R0.17 CCCC(=O)CSC(C)CC(=O)OC 62a_100009817358_100000747444 [0,2,0,0,0,0|1,0,1]=4 15445 B13R0.17 CCCC(=O)NCC(O)CC(=O)OC 188690a_100025770978_100000211992 [0,2,0,0,0,0|1,0,1]=4 15446 B13R0.17 CCCC(C)COC(C)CC(=O)OC 34a_100000688023_100009817358 [0,2,0,0,0,0|1,0,0]=3 15447 B13R0.17 CCCC(C)COC(C)CC(=O)OC 7a_100000688023_100009817358 [0,2,0,0,0,0|1,0,0]=3 15448 B13R0.17 CCCC(C)CSC(C)CC(=O)OC 62a_100009817358_100011216630 [0,2,0,0,0,0|1,0,0]=3 15449 B13R0.17 CCCC(C)CSC(C)CC(=O)OC 62a_100011216630_100009817358 [0,2,0,0,0,0|1,0,0]=3 15450 B13R0.17 CCCC(C)OC[C@H](O)CC(=O)OC 34a_100000764384_100000754131 [0,2,0,0,0,0|1,0,0]=3 15451 B13R0.17 CCCC(C)OC[C@H](O)CC(=O)OC 7a_100000764384_100000754131 [0,2,0,0,0,0|1,0,0]=3 15452 B13R0.17 CCCC(C)SCC(=O)CC(=O)OC 62a_100000210525_100000766640 [0,2,0,0,0,0|1,0,1]=4 15453 B13R0.17 CCCC(C)SCC(=O)CC(=O)OC 62a_100000766640_100000210525 [0,2,0,0,0,0|1,0,1]=4 15454 B13R0.17 CCCC(C)SC[C@H](O)CC(=O)OC 62a_100000754131_100000766640 [0,2,0,0,0,0|1,0,0]=3 15455 B13R0.17 CCCC(C)SC[C@H](O)CC(=O)OC 62a_100000766640_100000754131 [0,2,0,0,0,0|1,0,0]=3 15456 B13R0.17 CCC[C@H](N)COC(C)CC(=O)OC 34a_100000732646_100009817358 [0,2,0,0,0,0|1,0,0]=3 15457 B13R0.17 COC(=O)CC(C)OCC(C)CCN 34a_106354213184_100009817358 [0,2,0,0,0,0|2,0,0]=4 15458 B13R0.17 COC(=O)C[C@@H](O)CN[C@H](C)CCO 34a_100000706166_100000754131 [0,2,0,0,0,0|2,0,0]=4 15459 B13R0.17 COC(=O)C[C@@H](O)COC(C)CCBr 34a_100012276601_100000754131 [0,2,0,0,0,0|2,0,0]=4 15460 B13R0.17 COC(=O)C[C@@H](O)CSC(C)CCO 62a_100000754131_100009893172 [0,2,0,0,0,0|2,0,0]=4 15461 B13R0.17 COC(=O)C[C@@H](O)CSC(C)CCO 62a_100009893172_100000754131 [0,2,0,0,0,0|2,0,0]=4 15462 B13R0.17 COCC(C)SC[C@H](O)CC(=O)OC 62a_100000754131_100000765312 [0,2,0,0,0,0|2,0,0]=4 15463 B13R0.17 COCC(C)SC[C@H](O)CC(=O)OC 62a_100000765312_100000754131 [0,2,0,0,0,0|2,0,0]=4 15464 B13R0.17 COCC(N)COC(C)CC(=O)OC 34a_100000724102_100009817358 [0,2,0,0,0,0|2,0,0]=4 15465 B13R0.17 COCC(O)CNC(C)CC(=O)OC 2230a_100000756049_100009817358 [0,2,0,0,0,0|2,0,0]=4 15466 B13R0.17 COCC(O)CNC(C)CC(=O)OC 34a_100000756049_100009817358 [0,2,0,0,0,0|2,0,0]=4 15467 B13R0.17 COCC(O)CSC(C)CC(=O)OC 62a_100009817358_100011215053 [0,2,0,0,0,0|2,0,0]=4 15468 B13R0.17 COCC(O)CSC(C)CC(=O)OC 62a_100011215053_100009817358 [0,2,0,0,0,0|2,0,0]=4 15469 B13R0.17 COC[C@@H](C)OC[C@H](O)CC(=O)OC 34a_100011934205_100000754131 [0,2,0,0,0,0|2,0,0]=4 15470 B13R0.71 C=C(C)CCOC[C@H](O)CC(=O)OC 34a_100000764851_100000754131 [0,2,0,0,0,0|1,0,1]=4 15471 B13R0.71 C=C(C)CCSC[C@H](O)CC(=O)OC 62a_100000730704_100000754131 [0,2,0,0,0,0|1,0,1]=4 15472 B13R0.71 C=C(C)CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000730704 [0,2,0,0,0,0|1,0,1]=4 15473 B13R0.71 CCC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000747405 [0,2,0,0,0,0|1,0,1]=4 15474 B13R0.71 CNC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000183359 [0,2,0,0,0,0|1,0,1]=4 15475 B13R0.71 CNC(=O)CN(C)CCCCC(C)C 2230a_100000189611_100011216152 [0,2,0,0,0,0|2,0,0]=4 15476 B13R0.71 COC(=O)CC(=O)CCCCC(=O)C 1458a_100000211351_100000735457 [0,2,0,0,0,0|0,0,2]=4 15477 B13R0.71 COC(=O)CC(=O)CCCCC(C)C 1458a_100000211351_100011216152 [0,2,0,0,0,0|0,0,1]=3 15478 B13R0.71 COC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000747449 [0,2,0,0,0,0|0,0,1]=3 15479 B13R0.71 COC(=O)CC(=O)CSCCC(C)C 62a_100000210312_100000210525 [0,2,0,0,0,0|1,0,1]=4 15480 B13R0.71 COC(=O)CC(=O)CSCCC(C)C 62a_100000210525_100000210312 [0,2,0,0,0,0|1,0,1]=4 15481 B13R0.71 COC(=O)CC(=O)CSCCC(C)O 62a_100000210525_100012276601 [0,2,0,0,0,0|1,0,1]=4 15482 B13R0.71 COC(=O)CC(=O)CSCCC(C)O 62a_100012276601_100000210525 [0,2,0,0,0,0|1,0,1]=4 15483 B13R0.71 COC(=O)CC(=O)NCCCC(C)C 240690a_200000737386_100000211351 [0,2,0,0,0,0|1,0,1]=4 15484 B13R0.71 COC(=O)CC(C)NCCCC(C)C 2230a_200000737386_100009817358 [0,2,0,0,0,0|1,0,0]=3 15485 B13R0.71 COC(=O)CC(C)NCCCC(C)C 34a_200000737386_100009817358 [0,2,0,0,0,0|1,0,0]=3 15486 B13R0.71 COC(=O)CC(C)NCCCS(=O)C 2230a_200000753449_100009817358 [0,2,0,0,0,0|2,0,0]=4 15487 B13R0.71 COC(=O)CC(C)NCCOC(C)C 2230a_100000701111_100009817358 [0,2,0,0,0,0|2,0,0]=4 15488 B13R0.71 COC(=O)CC(C)NCCOC(C)C 34a_100000701111_100009817358 [0,2,0,0,0,0|2,0,0]=4 15489 B13R0.71 COC(=O)CC(C)NCCSC(C)C 2230a_100000731138_100009817358 [0,2,0,0,0,0|2,0,0]=4 15490 B13R0.71 COC(=O)CC(C)NCCSC(C)C 34a_100000731138_100009817358 [0,2,0,0,0,0|2,0,0]=4 15491 B13R0.71 COC(=O)CC(C)OCCCC(=O)C 34a_100000759063_100009817358 [0,2,0,0,0,0|1,0,1]=4 15492 B13R0.71 COC(=O)CC(C)OCCCC(=O)C 7a_100000759063_100009817358 [0,2,0,0,0,0|1,0,1]=4 15493 B13R0.71 COC(=O)CC(C)OCCCC(C)C 34a_100000210774_100009817358 [0,2,0,0,0,0|1,0,0]=3 15494 B13R0.71 COC(=O)CC(C)OCCCC(C)C 7a_100000210774_100009817358 [0,2,0,0,0,0|1,0,0]=3 15495 B13R0.71 COC(=O)CC(C)OCCNC(C)C 34a_100000224655_100009817358 [0,2,0,0,0,0|2,0,0]=4 15496 B13R0.71 COC(=O)CC(C)OCCOC(C)C 34a_100000211219_100009817358 [0,2,0,0,0,0|2,0,0]=4 15497 B13R0.71 COC(=O)CC(C)OCCOC(C)C 7a_100000211219_100009817358 [0,2,0,0,0,0|2,0,0]=4 15498 B13R0.71 COC(=O)CC(C)OCCSC(C)C 34a_200011212901_100009817358 [0,2,0,0,0,0|2,0,0]=4 15499 B13R0.71 COC(=O)CC(C)OCCSC(C)C 7a_200011212901_100009817358 [0,2,0,0,0,0|2,0,0]=4 15500 B13R0.71 COC(=O)CC(C)SCCCC(=O)C 62a_100009817358_100011215641 [0,2,0,0,0,0|1,0,1]=4 15501 B13R0.71 COC(=O)CC(C)SCCCC(=O)C 62a_100011215641_100009817358 [0,2,0,0,0,0|1,0,1]=4 15502 B13R0.71 COC(=O)CC(C)SCCCC(C)C 62a_100009817358_100011214892 [0,2,0,0,0,0|1,0,0]=3 15503 B13R0.71 COC(=O)CC(C)SCCCC(C)C 62a_100011214892_100009817358 [0,2,0,0,0,0|1,0,0]=3 15504 B13R0.71 COC(=O)CC(C)SCCCC(C)O 62a_100009817358_200000718107 [0,2,0,0,0,0|1,0,0]=3 15505 B13R0.71 COC(=O)CC(C)SCCCC(C)O 62a_200000718107_100009817358 [0,2,0,0,0,0|1,0,0]=3 15506 B13R0.71 COC(=O)CC(C)SCCCN(C)C 62a_100009817358_100000757444 [0,2,0,0,0,0|2,0,0]=4 15507 B13R0.71 COC(=O)CC(C)SCCOC(C)C 62a_100000211751_100009817358 [0,2,0,0,0,0|2,0,0]=4 15508 B13R0.71 COC(=O)CC(C)SCCOC(C)C 62a_100009817358_100000211751 [0,2,0,0,0,0|2,0,0]=4 15509 B13R0.71 COC(=O)CC(C)SCCSC(C)C 62a_100000730970_100009817358 [0,2,0,0,0,0|2,0,0]=4 15510 B13R0.71 COC(=O)CC(C)SCCSC(C)C 62a_100009817358_100000730970 [0,2,0,0,0,0|2,0,0]=4 15511 B13R0.71 COC(=O)CN(C)CCCCC(C)C 2230a_100000198492_100011216152 [0,2,0,0,0,0|1,0,0]=3 15512 B13R0.71 COC(=O)C[C@@H](O)COCCC(=O)C 34a_100000759926_100000754131 [0,2,0,0,0,0|1,0,1]=4 15513 B13R0.71 COC(=O)C[C@@H](O)COCCC(=O)C 7a_100000759926_100000754131 [0,2,0,0,0,0|1,0,1]=4 15514 B13R0.71 COC(=O)C[C@@H](O)COCCC(C)Br 34a_100009893172_100000754131 [0,2,0,0,0,0|1,0,0]=3 15515 B13R0.71 COC(=O)C[C@@H](O)COCCC(C)C 34a_100000210254_100000754131 [0,2,0,0,0,0|1,0,0]=3 15516 B13R0.71 COC(=O)C[C@@H](O)COCCC(C)C 7a_100000210254_100000754131 [0,2,0,0,0,0|1,0,0]=3 15517 B13R0.71 COC(=O)C[C@@H](O)COCCC(F)F 34a_100103093639_100000754131 [0,2,0,0,0,0|2,0,0]=4 15518 B13R0.71 COC(=O)C[C@@H](O)COCC[C@@H](C)N 34a_100000706166_100000754131 [0,2,0,0,0,0|1,0,0]=3 15519 B13R0.71 COC(=O)C[C@@H](O)CSCCC(=O)C 62a_100000053229_100000754131 [0,2,0,0,0,0|1,0,1]=4 15520 B13R0.71 COC(=O)C[C@@H](O)CSCCC(=O)C 62a_100000754131_100000053229 [0,2,0,0,0,0|1,0,1]=4 15521 B13R0.71 COC(=O)C[C@@H](O)CSCCC(C)C 62a_100000210312_100000754131 [0,2,0,0,0,0|1,0,0]=3 15522 B13R0.71 COC(=O)C[C@@H](O)CSCCC(C)C 62a_100000754131_100000210312 [0,2,0,0,0,0|1,0,0]=3 15523 B13R0.71 COC(=O)C[C@@H](O)CSCCC(C)O 62a_100000754131_100012276601 [0,2,0,0,0,0|1,0,0]=3 15524 B13R0.71 COC(=O)C[C@@H](O)CSCCC(C)O 62a_100012276601_100000754131 [0,2,0,0,0,0|1,0,0]=3 15525 B13R0.71 COC(=O)C[C@@H](O)CSCCN(C)C 62a_100000754131_100000755713 [0,2,0,0,0,0|2,0,0]=4 15526 B13R0.71 COC(=O)C[C@@H](O)CSCOC(C)C 62a_100000709892_100000754131 [0,2,0,0,0,0|2,0,0]=4 15527 B13R0.71 COC(=O)C[C@@H](O)CSCOC(C)C 62a_100000754131_100000709892 [0,2,0,0,0,0|2,0,0]=4 15528 B13R0.151 CCCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210326 [0,2,0,0,0,0|0,0,1]=3 15529 B13R0.151 CCCCCC(=O)N(C)CC(=O)OC 11a_100000198492_100000212188 [0,2,0,0,0,0|1,0,1]=4 15530 B13R0.151 CCCCCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000212188 [0,2,0,0,0,0|1,0,1]=4 15531 B13R0.151 CCCCCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000212188 [0,2,0,0,0,0|1,0,1]=4 15532 B13R0.151 CCCCCC(=O)N(C)CC(=O)OC 527a_100000198492_100000212188 [0,2,0,0,0,0|1,0,1]=4 15533 B13R0.151 CCCCCC(C)C(=O)CC(=O)CC 1458a_100011215998_100000747405 [0,2,0,0,0,0|1,0,1]=4 15534 B13R0.151 CCCCCC(C)C(=O)CC(=O)NC 1458a_100011215998_100000183359 [0,2,0,0,0,0|1,0,1]=4 15535 B13R0.151 CCCCCC(C)C(=O)CC(=O)OC 1458a_100000211351_200011218191 [0,2,0,0,0,0|0,0,1]=3 15536 B13R0.151 CCCCCC(C)C(=O)CC(=O)OC 1458a_100011215998_100000747449 [0,2,0,0,0,0|0,0,1]=3 15537 B13R0.151 CCCCCC(C)N(C)CC(=O)NC 2230a_100000189611_200011218191 [0,2,0,0,0,0|2,0,0]=4 15538 B13R0.151 CCCCCC(C)N(C)CC(=O)NC 270004a_100000189611_100000211708 [0,2,0,0,0,0|2,0,0]=4 15539 B13R0.151 CCCCCC(C)N(C)CC(=O)OC 2230a_100000198492_200011218191 [0,2,0,0,0,0|1,0,0]=3 15540 B13R0.151 CCCCCC(C)N(C)CC(=O)OC 270004a_100000198492_100000211708 [0,2,0,0,0,0|1,0,0]=3 15541 B13R0.151 CCCCCN(C)C(=O)CC(=O)OC 240690a_100000223495_100000211351 [0,2,0,0,0,0|1,0,1]=4 15542 B13R0.151 CCCCCN(C)C(C)CC(=O)NC 2230a_100015186911_100000210326 [0,2,0,0,0,0|2,0,0]=4 15543 B13R0.151 CCCCCN(C)C(C)CC(=O)NC 269982a_100015186911_100000210215 [0,2,0,0,0,0|2,0,0]=4 15544 B13R0.151 CCCCCN(C)C(C)CC(=O)OC 2230a_100000223495_100009817358 [0,2,0,0,0,0|1,0,0]=3 15545 B13R0.151 CCCCCN(C)C(C)CC(=O)OC 269982a_100000223495_100009817358 [0,2,0,0,0,0|1,0,0]=3 15546 B13R0.151 CCCCNC(=O)C(C)CC(=O)OC 1626a_100000102301_100000037256 [0,2,0,0,0,0|1,0,1]=4 15547 B13R0.151 CCCCNC(=O)C(C)CC(=O)OC 240690a_100000102301_100000037256 [0,2,0,0,0,0|1,0,1]=4 15548 B13R0.151 CCCCNC(=O)C(C)CC(=O)OC 527a_100000102301_100000037256 [0,2,0,0,0,0|1,0,1]=4 15549 B13R0.151 CCCCSC(C)C(=O)CC(=O)OC 1458a_100000191163_100000747449 [0,2,0,0,0,0|1,0,1]=4 15550 B13R0.151 CCCCSC(C)C(=O)CC(=O)OC 62a_100000210211_100009997173 [0,2,0,0,0,0|1,0,1]=4 15551 B13R0.151 CCCCSC(C)C(=O)CC(=O)OC 62a_100009997173_100000210210 [0,2,0,0,0,0|1,0,1]=4 15552 B13R0.151 CCCSCC(C)N(C)CC(=O)OC 270004a_100000198492_100011343953 [0,2,0,0,0,0|2,0,0]=4 15553 B13R0.151 CCOCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100011215890 [0,2,0,0,0,0|1,0,1]=4 15554 B13R0.151 CCOCCC(C)N(C)CC(=O)OC 270004a_100000198492_200011216536 [0,2,0,0,0,0|2,0,0]=4 15555 B13R0.151 CCSCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000757381 [0,2,0,0,0,0|1,0,1]=4 15556 B13R0.151 COC(=O)CC(C)C(=O)CCCCF 1458a_100000037256_100000729493 [0,2,0,0,0,0|1,0,1]=4 15557 B13R0.151 COC(=O)CC(C)C(=O)CCCCO 1458a_100000037256_100000210776 [0,2,0,0,0,0|1,0,1]=4 15558 B13R0.151 COC(=O)CC(C)N(C)CCCCO 2230a_100000717598_100009817358 [0,2,0,0,0,0|2,0,0]=4 15559 B13R0.151 COC(=O)CC(C)N(C)CCCCO 269982a_100000717598_100009817358 [0,2,0,0,0,0|2,0,0]=4 15560 B13R0.151 COC(=O)CN(C)C(C)CCCSC 270004a_100000198492_100011399439 [0,2,0,0,0,0|2,0,0]=4 15561 B13R0.151 COCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000740836 [0,2,0,0,0,0|1,0,1]=4 15562 B13R0.151 COCCCN(C)C(C)CC(=O)OC 2230a_100000224831_100009817358 [0,2,0,0,0,0|2,0,0]=4 15563 B13R0.151 COCCCN(C)C(C)CC(=O)OC 269982a_100000224831_100009817358 [0,2,0,0,0,0|2,0,0]=4 15564 B13R0.274 C#CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100012094781 [0,2,0,0,0,0|0,0,2]=4 15565 B13R0.274 C#CCCCCCC(=O)CC(=O)OC 1458a_100000694772_100000747449 [0,2,0,0,0,0|0,0,2]=4 15566 B13R0.274 C#CCCCCCN(C)CC(=O)OC 2230a_100000198492_100012094781 [0,2,0,0,0,0|0,0,2]=4 15567 B13R0.274 C#CCCCCNC(C)CC(=O)OC 2230a_100000706060_100009817358 [0,2,0,0,0,0|0,0,2]=4 15568 B13R0.274 C#CCCCCNC(C)CC(=O)OC 34a_100000706060_100009817358 [0,2,0,0,0,0|0,0,2]=4 15569 B13R0.274 C#CCCCCOC(C)CC(=O)OC 34a_100000766709_100009817358 [0,2,0,0,0,0|0,0,2]=4 15570 B13R0.274 C#CCCCCOC(C)CC(=O)OC 7a_100000766709_100009817358 [0,2,0,0,0,0|0,0,2]=4 15571 B13R0.274 C#CCCCCSC(C)CC(=O)OC 62a_100009817358_100010269958 [0,2,0,0,0,0|0,0,2]=4 15572 B13R0.274 C#CCCCCSC(C)CC(=O)OC 62a_100010269958_100009817358 [0,2,0,0,0,0|0,0,2]=4 15573 B13R0.274 C#CCCCNC[C@H](O)CC(=O)OC 34a_100000718082_100000754131 [0,2,0,0,0,0|0,0,2]=4 15574 B13R0.274 C#CCCCOC[C@H](O)CC(=O)OC 34a_100000215630_100000754131 [0,2,0,0,0,0|0,0,2]=4 15575 B13R0.274 C#CCCCOC[C@H](O)CC(=O)OC 7a_100000215630_100000754131 [0,2,0,0,0,0|0,0,2]=4 15576 B13R0.274 C#CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011215417 [0,2,0,0,0,0|0,0,2]=4 15577 B13R0.274 C#CCCCSC[C@H](O)CC(=O)OC 62a_100011215417_100000754131 [0,2,0,0,0,0|0,0,2]=4 15578 B13R0.274 C/C=C/CCOC[C@H](O)CC(=O)OC 34a_100016278192_100000754131 [0,2,0,0,0,0|0,0,2]=4 15579 B13R0.274 C=CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000700193 [0,2,0,0,0,0|0,0,2]=4 15580 B13R0.274 C=CCCCCCC(=O)CC(=O)OC 1458a_100011934241_100000747449 [0,2,0,0,0,0|0,0,2]=4 15581 B13R0.274 C=CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000700193 [0,2,0,0,0,0|0,0,2]=4 15582 B13R0.274 C=CCCCCNC(C)CC(=O)OC 2230a_100000703577_100009817358 [0,2,0,0,0,0|0,0,2]=4 15583 B13R0.274 C=CCCCCNC(C)CC(=O)OC 34a_100000703577_100009817358 [0,2,0,0,0,0|0,0,2]=4 15584 B13R0.274 C=CCCCCOC(C)CC(=O)OC 34a_100000766645_100009817358 [0,2,0,0,0,0|0,0,2]=4 15585 B13R0.274 C=CCCCCOC(C)CC(=O)OC 7a_100000766645_100009817358 [0,2,0,0,0,0|0,0,2]=4 15586 B13R0.274 C=CCCCCSC(C)CC(=O)OC 62a_100009817358_100011215482 [0,2,0,0,0,0|0,0,2]=4 15587 B13R0.274 C=CCCCCSC(C)CC(=O)OC 62a_100011215482_100009817358 [0,2,0,0,0,0|0,0,2]=4 15588 B13R0.274 C=CCCCNC[C@H](O)CC(=O)OC 34a_100000700776_100000754131 [0,2,0,0,0,0|0,0,2]=4 15589 B13R0.274 C=CCCCOC[C@H](O)CC(=O)OC 34a_100000758997_100000754131 [0,2,0,0,0,0|0,0,2]=4 15590 B13R0.274 C=CCCCOC[C@H](O)CC(=O)OC 7a_100000758997_100000754131 [0,2,0,0,0,0|0,0,2]=4 15591 B13R0.274 C=CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000757094 [0,2,0,0,0,0|0,0,2]=4 15592 B13R0.274 C=CCCCSC[C@H](O)CC(=O)OC 62a_100011713584_100000754131 [0,2,0,0,0,0|0,0,2]=4 15593 B13R0.274 CC#CCCOC[C@H](O)CC(=O)OC 34a_100000750427_100000754131 [0,2,0,0,0,0|0,0,2]=4 15594 B13R0.274 CC/C=C\CCOC(C)CC(=O)OC 34a_100016288707_100009817358 [0,2,0,0,0,0|0,0,2]=4 15595 B13R0.274 CC/C=C\CCOC(C)CC(=O)OC 7a_100016288707_100009817358 [0,2,0,0,0,0|0,0,2]=4 15596 B13R0.274 CC/C=C\CCSC(C)CC(=O)OC 62a_100009817358_100015370543 [0,2,0,0,0,0|0,0,2]=4 15597 B13R0.274 CC/C=C\CCSC(C)CC(=O)OC 62a_100015370543_100009817358 [0,2,0,0,0,0|0,0,2]=4 15598 B13R0.274 CC/C=C\COC[C@H](O)CC(=O)OC 34a_100016268518_100000754131 [0,2,0,0,0,0|0,0,2]=4 15599 B13R0.274 CC/C=C\CSC[C@H](O)CC(=O)OC 62a_100000754131_100103147603 [0,2,0,0,0,0|0,0,2]=4 15600 B13R0.274 CC/C=C\CSC[C@H](O)CC(=O)OC 62a_100103147603_100000754131 [0,2,0,0,0,0|0,0,2]=4 15601 B13R0.274 CC=CCCCOC(C)CC(=O)OC 34a_100020645299_100009817358 [0,2,0,0,0,0|0,0,2]=4 15602 B13R0.274 CCC#CCCOC(C)CC(=O)OC 34a_100000036655_100009817358 [0,2,0,0,0,0|0,0,2]=4 15603 B13R0.274 CCC#CCCOC(C)CC(=O)OC 7a_100000036655_100009817358 [0,2,0,0,0,0|0,0,2]=4 15604 B13R0.274 CCC#CCOC[C@H](O)CC(=O)OC 34a_100000032950_100000754131 [0,2,0,0,0,0|0,0,2]=4 15605 B13R0.274 CCC#CCSC[C@H](O)CC(=O)OC 62a_100000754131_100009813939 [0,2,0,0,0,0|0,0,2]=4 15606 B13R0.274 CCC#CCSC[C@H](O)CC(=O)OC 62a_100009813939_100000754131 [0,2,0,0,0,0|0,0,2]=4 15607 B13R0.274 CCC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747405 [0,2,0,0,0,0|1,0,1]=4 15608 B13R0.274 CCC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000747405 [0,2,0,0,0,0|1,0,1]=4 15609 B13R0.274 CCC/C=C/COC(C)CC(=O)OC 34a_100016278788_100009817358 [0,2,0,0,0,0|0,0,2]=4 15610 B13R0.274 CCC/C=C/COC(C)CC(=O)OC 7a_100016278788_100009817358 [0,2,0,0,0,0|0,0,2]=4 15611 B13R0.274 CCCC#CCOC(C)CC(=O)OC 34a_100000034806_100009817358 [0,2,0,0,0,0|0,0,2]=4 15612 B13R0.274 CCCC#CCOC(C)CC(=O)OC 7a_100000034806_100009817358 [0,2,0,0,0,0|0,0,2]=4 15613 B13R0.274 CCCC/C=C/CC(=O)CC(=O)OC 1458a_200016282684_100000747449 [0,2,0,0,0,0|0,0,2]=4 15614 B13R0.274 CCCCCC#CC(=O)CC(=O)OC 1458a_100011215388_100000747449 [0,2,0,0,0,0|0,0,2]=4 15615 B13R0.274 CCCCCC=CC(=O)CC(=O)OC 1458a_100016263427_100000747449 [0,2,0,0,0,0|0,0,2]=4 15616 B13R0.274 CCCCCCCC(=O)CC(=O)CC 1458a_100000211969_100000747405 [0,2,0,0,0,0|1,0,0]=3 15617 B13R0.274 CCCCCCCC(=O)CC(=O)NC 1458a_100000211969_100000183359 [0,2,0,0,0,0|1,0,0]=3 15618 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210614 [0,2,0,0,0,0|0,0,0]=2 15619 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211969_100000747449 [0,2,0,0,0,0|0,0,0]=2 15620 B13R0.274 CCCCCCCC(C)SC(C)OC 62a_100009879195_200011218727 [0,2,0,0,0,0|1,0,1]=4 15621 B13R0.274 CCCCCCCC(C)SC(C)OC 62a_200011218727_100009879195 [0,2,0,0,0,0|1,0,1]=4 15622 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [0,2,0,0,0,0|1,0,0]=3 15623 B13R0.274 CCCCCCCC(O)CC(=O)CF 1458a_200011667753_100015361967 [0,2,0,0,0,0|2,0,0]=4 15624 B13R0.274 CCCCCCCC(O)CC(=O)NC 1626a_100102657272_200011667753 [0,2,0,0,0,0|1,0,0]=3 15625 B13R0.274 CCCCCCCC(O)CC(=O)NC 240690a_100102657272_200011667753 [0,2,0,0,0,0|1,0,0]=3 15626 B13R0.274 CCCCCCCN(C)CC(=O)CC 269982a_100000228206_100000747405 [0,2,0,0,0,0|1,0,0]=3 15627 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210681 [0,2,0,0,0,0|1,0,0]=3 15628 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000228206_100000183359 [0,2,0,0,0,0|1,0,0]=3 15629 B13R0.274 CCCCCCCN(C)CC(=O)NC 269982a_100000228206_100000183359 [0,2,0,0,0,0|1,0,0]=3 15630 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210681 [0,2,0,0,0,0|0,0,0]=2 15631 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000228206_100000747449 [0,2,0,0,0,0|0,0,0]=2 15632 B13R0.274 CCCCCCCN(C)CC(=O)OC 269982a_100000228206_100000747449 [0,2,0,0,0,0|0,0,0]=2 15633 B13R0.274 CCCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230325 [0,2,0,0,0,0|1,0,1]=4 15634 B13R0.274 CCCCCCNC(=O)CC(=O)OC 240690a_100000210581_100000211351 [0,2,0,0,0,0|0,0,1]=3 15635 B13R0.274 CCCCCCNC(C)CC(=O)OC 2230a_100000210581_100009817358 [0,2,0,0,0,0|0,0,0]=2 15636 B13R0.274 CCCCCCOC(C)CC(=O)OC 34a_100000210259_100009817358 [0,2,0,0,0,0|0,0,0]=2 15637 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a_100000210259_100009817358 [0,2,0,0,0,0|0,0,0]=2 15638 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100000210314_100009817358 [0,2,0,0,0,0|0,0,0]=2 15639 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210757 [0,2,0,0,0,0|0,0,0]=2 15640 B13R0.274 CCCCCNN=C(C)CC(=O)OC 4a_100000694160_100000210079 [0,2,0,0,0,0|1,0,1]=4 15641 B13R0.274 CCCCCNNC(=O)CC(=O)OC 22a_100000694160_100000211351 [0,2,0,0,0,0|1,0,1]=4 15642 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 34a_100000210253_100000754131 [0,2,0,0,0,0|0,0,0]=2 15643 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 7a_100000210253_100000754131 [0,2,0,0,0,0|0,0,0]=2 15644 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210326_100000210525 [0,2,0,0,0,0|0,0,1]=3 15645 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210326 [0,2,0,0,0,0|0,0,1]=3 15646 B13R0.274 CCCCCSCC(=O)NC(=O)OC 62a_100000210326_100000010850 [0,2,0,0,0,0|1,0,1]=4 15647 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000210326_100000754131 [0,2,0,0,0,0|0,0,0]=2 15648 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210326 [0,2,0,0,0,0|0,0,0]=2 15649 B13R0.274 CCCCOCCC(=O)CC(=O)OC 1458a_100000211351_100000743108 [0,2,0,0,0,0|0,0,1]=3 15650 B13R0.274 CCCCOCCN(C)CC(=O)NC 2230a_100000189611_100000743108 [0,2,0,0,0,0|2,0,0]=4 15651 B13R0.274 CCCCOCCN(C)CC(=O)OC 2230a_100000198492_100000743108 [0,2,0,0,0,0|1,0,0]=3 15652 B13R0.274 CCCCOCSC(C)CC(=O)OC 62a_100009817358_100011995733 [0,2,0,0,0,0|1,0,0]=3 15653 B13R0.274 CCCCOCSC(C)CC(=O)OC 62a_100011995733_100009817358 [0,2,0,0,0,0|1,0,0]=3 15654 B13R0.274 CCCOCCNC(=O)CC(=O)OC 240690a_100161115042_100000211351 [0,2,0,0,0,0|1,0,1]=4 15655 B13R0.274 CCCOCCNC(C)CC(=O)OC 2230a_100161115042_100009817358 [0,2,0,0,0,0|1,0,0]=3 15656 B13R0.274 CCCOCCNC(C)CC(=O)OC 34a_100161115042_100009817358 [0,2,0,0,0,0|1,0,0]=3 15657 B13R0.274 CCCOCCOC(C)CC(=O)OC 34a_100000752267_100009817358 [0,2,0,0,0,0|1,0,0]=3 15658 B13R0.274 CCCOCCOC(C)CC(=O)OC 7a_100000752267_100009817358 [0,2,0,0,0,0|1,0,0]=3 15659 B13R0.274 CCCOCCSC(C)CC(=O)OC 62a_100009817358_100011215938 [0,2,0,0,0,0|1,0,0]=3 15660 B13R0.274 CCCOCCSC(C)CC(=O)OC 62a_100011215938_100009817358 [0,2,0,0,0,0|1,0,0]=3 15661 B13R0.274 CCCSCCNC(=O)CC(=O)OC 240690a_100020603323_100000211351 [0,2,0,0,0,0|1,0,1]=4 15662 B13R0.274 CCCSCCNC(C)CC(=O)OC 2230a_100020603323_100009817358 [0,2,0,0,0,0|1,0,0]=3 15663 B13R0.274 CCCSCCOC(C)CC(=O)OC 34a_200000230433_100009817358 [0,2,0,0,0,0|1,0,0]=3 15664 B13R0.274 CCCSCCOC(C)CC(=O)OC 7a_200000230433_100009817358 [0,2,0,0,0,0|1,0,0]=3 15665 B13R0.274 CCOCCCNC(=O)CC(=O)OC 240690a_100000210961_100000211351 [0,2,0,0,0,0|1,0,1]=4 15666 B13R0.274 CCOCCCNC(C)CC(=O)OC 2230a_100000210961_100009817358 [0,2,0,0,0,0|1,0,0]=3 15667 B13R0.274 CCOCCCNC(C)CC(=O)OC 34a_100000210961_100009817358 [0,2,0,0,0,0|1,0,0]=3 15668 B13R0.274 CCOCCCOC(C)CC(=O)OC 34a_100000757476_100009817358 [0,2,0,0,0,0|1,0,0]=3 15669 B13R0.274 CCOCCCOC(C)CC(=O)OC 7a_100000757476_100009817358 [0,2,0,0,0,0|1,0,0]=3 15670 B13R0.274 CCOCCCSC(C)CC(=O)OC 62a_100009817358_100012232248 [0,2,0,0,0,0|1,0,0]=3 15671 B13R0.274 CCOCCCSC(C)CC(=O)OC 62a_100012232248_100009817358 [0,2,0,0,0,0|1,0,0]=3 15672 B13R0.274 CCOCCNC[C@H](O)CC(=O)OC 34a_102516460346_100000754131 [0,2,0,0,0,0|1,0,0]=3 15673 B13R0.274 CCOCCOC[C@H](O)CC(=O)OC 34a_100000210136_100000754131 [0,2,0,0,0,0|1,0,0]=3 15674 B13R0.274 CCOCCOC[C@H](O)CC(=O)OC 7a_100000210136_100000754131 [0,2,0,0,0,0|1,0,0]=3 15675 B13R0.274 CCOCCSCC(=O)CC(=O)OC 62a_100000210147_100000210525 [0,2,0,0,0,0|1,0,1]=4 15676 B13R0.274 CCOCCSCC(=O)CC(=O)OC 62a_100000210525_100011215890 [0,2,0,0,0,0|1,0,1]=4 15677 B13R0.274 CCOCCSC[C@H](O)CC(=O)OC 62a_100000210147_100000754131 [0,2,0,0,0,0|1,0,0]=3 15678 B13R0.274 CCOCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011215890 [0,2,0,0,0,0|1,0,0]=3 15679 B13R0.274 CCSCCCOC(C)CC(=O)OC 34a_100011216438_100009817358 [0,2,0,0,0,0|1,0,0]=3 15680 B13R0.274 CCSCCCOC(C)CC(=O)OC 7a_100011216438_100009817358 [0,2,0,0,0,0|1,0,0]=3 15681 B13R0.274 CCSCCOC[C@H](O)CC(=O)OC 34a_100000212035_100000754131 [0,2,0,0,0,0|1,0,0]=3 15682 B13R0.274 CCSCCOC[C@H](O)CC(=O)OC 7a_100000212035_100000754131 [0,2,0,0,0,0|1,0,0]=3 15683 B13R0.274 CCSCCSCC(=O)CC(=O)OC 62a_100000210525_100000757381 [0,2,0,0,0,0|1,0,1]=4 15684 B13R0.274 CCSCCSCC(=O)CC(=O)OC 62a_100000757381_100000210525 [0,2,0,0,0,0|1,0,1]=4 15685 B13R0.274 CCSCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000757381 [0,2,0,0,0,0|1,0,0]=3 15686 B13R0.274 CCSCCSC[C@H](O)CC(=O)OC 62a_100000757381_100000754131 [0,2,0,0,0,0|1,0,0]=3 15687 B13R0.274 CNC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000183359 [0,2,0,0,0,0|1,0,1]=4 15688 B13R0.274 CNC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000183359 [0,2,0,0,0,0|1,0,1]=4 15689 B13R0.274 CNC(=O)CN(C)CCCCCCF 2230a_100000189611_100015922095 [0,2,0,0,0,0|2,0,0]=4 15690 B13R0.274 CNC(=O)CN(C)CCCCCCO 2230a_100000189611_100000766143 [0,2,0,0,0,0|2,0,0]=4 15691 B13R0.274 CNCCCOC[C@H](O)CC(=O)OC 34a_100000213112_100000754131 [0,2,0,0,0,0|1,0,0]=3 15692 B13R0.274 COC(=O)CC(=O)CCCCCC#N 1458a_100000211351_100009813376 [0,2,0,0,0,0|0,0,2]=4 15693 B13R0.274 COC(=O)CC(=O)CCCCCCF 1458a_100000211351_100015922095 [0,2,0,0,0,0|0,0,1]=3 15694 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100000211351_100000766143 [0,2,0,0,0,0|0,0,1]=3 15695 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747449 [0,2,0,0,0,0|0,0,1]=3 15696 B13R0.274 COC(=O)CC(=O)CSCCCCF 62a_100000210525_100000729493 [0,2,0,0,0,0|1,0,1]=4 15697 B13R0.274 COC(=O)CC(=O)CSCCCCF 62a_100000729493_100000210525 [0,2,0,0,0,0|1,0,1]=4 15698 B13R0.274 COC(=O)CC(=O)CSCCCCO 62a_100000210525_100000210776 [0,2,0,0,0,0|1,0,1]=4 15699 B13R0.274 COC(=O)CC(=O)CSCCCCO 62a_100000210776_100000210525 [0,2,0,0,0,0|1,0,1]=4 15700 B13R0.274 COC(=O)CC(=O)NCCCCCO 240690a_100000762737_100000211351 [0,2,0,0,0,0|1,0,1]=4 15701 B13R0.274 COC(=O)CC(C)NCCCCCO 2230a_100000762737_100009817358 [0,2,0,0,0,0|1,0,0]=3 15702 B13R0.274 COC(=O)CC(C)NCCCCCO 34a_100000762737_100009817358 [0,2,0,0,0,0|1,0,0]=3 15703 B13R0.274 COC(=O)CC(C)NCCOCCO 2230a_100000211614_100009817358 [0,2,0,0,0,0|2,0,0]=4 15704 B13R0.274 COC(=O)CC(C)NCCOCCO 34a_100000211614_100009817358 [0,2,0,0,0,0|2,0,0]=4 15705 B13R0.274 COC(=O)CC(C)NCCSCCO 2230a_100011219999_100009817358 [0,2,0,0,0,0|2,0,0]=4 15706 B13R0.274 COC(=O)CC(C)OCCCCCBr 34a_100000746331_100009817358 [0,2,0,0,0,0|1,0,0]=3 15707 B13R0.274 COC(=O)CC(C)OCCCCCBr 7a_100000746331_100009817358 [0,2,0,0,0,0|1,0,0]=3 15708 B13R0.274 COC(=O)CC(C)OCCCCCCl 34a_100000746330_100009817358 [0,2,0,0,0,0|1,0,0]=3 15709 B13R0.274 COC(=O)CC(C)OCCCCCCl 7a_100000746330_100009817358 [0,2,0,0,0,0|1,0,0]=3 15710 B13R0.274 COC(=O)CC(C)OCCCCCI 34a_200012148887_100009817358 [0,2,0,0,0,0|1,0,0]=3 15711 B13R0.274 COC(=O)CC(C)OCCCCCI 7a_200012148887_100009817358 [0,2,0,0,0,0|1,0,0]=3 15712 B13R0.274 COC(=O)CC(C)OCCCCCN 34a_100000762737_100009817358 [0,2,0,0,0,0|1,0,0]=3 15713 B13R0.274 COC(=O)CC(C)OCCCCSC 34a_100011217163_100009817358 [0,2,0,0,0,0|1,0,0]=3 15714 B13R0.274 COC(=O)CC(C)OCCCCSC 7a_100011217163_100009817358 [0,2,0,0,0,0|1,0,0]=3 15715 B13R0.274 COC(=O)CC(C)OCCOCCBr 34a_100000692535_100009817358 [0,2,0,0,0,0|2,0,0]=4 15716 B13R0.274 COC(=O)CC(C)OCCOCCBr 7a_100000692535_100009817358 [0,2,0,0,0,0|2,0,0]=4 15717 B13R0.274 COC(=O)CC(C)OCCOCCCl 34a_100011215305_100009817358 [0,2,0,0,0,0|2,0,0]=4 15718 B13R0.274 COC(=O)CC(C)OCCOCCCl 7a_100011215305_100009817358 [0,2,0,0,0,0|2,0,0]=4 15719 B13R0.274 COC(=O)CC(C)OCCOCCF 34a_200015357709_100009817358 [0,2,0,0,0,0|2,0,0]=4 15720 B13R0.274 COC(=O)CC(C)OCCOCCF 7a_200015357709_100009817358 [0,2,0,0,0,0|2,0,0]=4 15721 B13R0.274 COC(=O)CC(C)OCCOCCI 34a_100012149058_100009817358 [0,2,0,0,0,0|2,0,0]=4 15722 B13R0.274 COC(=O)CC(C)OCCOCCI 7a_100012149058_100009817358 [0,2,0,0,0,0|2,0,0]=4 15723 B13R0.274 COC(=O)CC(C)OCCOCCN 34a_100000211614_100009817358 [0,2,0,0,0,0|2,0,0]=4 15724 B13R0.274 COC(=O)CC(C)SCCCCC#N 62a_100009817358_100000211819 [0,2,0,0,0,0|1,0,1]=4 15725 B13R0.274 COC(=O)CC(C)SCCCCC#N 62a_100011219923_100009817358 [0,2,0,0,0,0|1,0,1]=4 15726 B13R0.274 COC(=O)CC(C)SCCCCC=O 62a_100000139335_100009817358 [0,2,0,0,0,0|1,0,1]=4 15727 B13R0.274 COC(=O)CC(C)SCCCCC=O 62a_100009817358_100000139335 [0,2,0,0,0,0|1,0,1]=4 15728 B13R0.274 COC(=O)CC(C)SCCCCCF 62a_100000729378_100009817358 [0,2,0,0,0,0|1,0,0]=3 15729 B13R0.274 COC(=O)CC(C)SCCCCCF 62a_100009817358_100000729378 [0,2,0,0,0,0|1,0,0]=3 15730 B13R0.274 COC(=O)CC(C)SCCCCCO 62a_100000746330_100009817358 [0,2,0,0,0,0|1,0,0]=3 15731 B13R0.274 COC(=O)CC(C)SCCCCCO 62a_100009817358_100000746330 [0,2,0,0,0,0|1,0,0]=3 15732 B13R0.274 COC(=O)CC(C)SCCOCCO 62a_100009817358_100011215305 [0,2,0,0,0,0|2,0,0]=4 15733 B13R0.274 COC(=O)CC(C)SCCOCCO 62a_100011215305_100009817358 [0,2,0,0,0,0|2,0,0]=4 15734 B13R0.274 COC(=O)CN(C)CCCCCC#N 2230a_100000198492_100009813376 [0,2,0,0,0,0|1,0,1]=4 15735 B13R0.274 COC(=O)CN(C)CCCCCC=O 2230a_100000198492_100000139337 [0,2,0,0,0,0|1,0,1]=4 15736 B13R0.274 COC(=O)CN(C)CCCCCCF 2230a_100000198492_100015922095 [0,2,0,0,0,0|1,0,0]=3 15737 B13R0.274 COC(=O)CN(C)CCCCCCO 2230a_100000198492_100000766143 [0,2,0,0,0,0|1,0,0]=3 15738 B13R0.274 COC(=O)C[C@@H](O)CNCCCCO 34a_100000750430_100000754131 [0,2,0,0,0,0|1,0,0]=3 15739 B13R0.274 COC(=O)C[C@@H](O)COCCCCBr 34a_100011216708_100000754131 [0,2,0,0,0,0|1,0,0]=3 15740 B13R0.274 COC(=O)C[C@@H](O)COCCCCCl 34a_100000210776_100000754131 [0,2,0,0,0,0|1,0,0]=3 15741 B13R0.274 COC(=O)C[C@@H](O)COCCCCCl 7a_100000210776_100000754131 [0,2,0,0,0,0|1,0,0]=3 15742 B13R0.274 COC(=O)C[C@@H](O)COCCCCF 34a_100011995726_100000754131 [0,2,0,0,0,0|1,0,0]=3 15743 B13R0.274 COC(=O)C[C@@H](O)COCCCCF 7a_100011995726_100000754131 [0,2,0,0,0,0|1,0,0]=3 15744 B13R0.274 COC(=O)C[C@@H](O)COCCCCI 34a_200012148704_100000754131 [0,2,0,0,0,0|1,0,0]=3 15745 B13R0.274 COC(=O)C[C@@H](O)COCCCCN 34a_100000750430_100000754131 [0,2,0,0,0,0|1,0,0]=3 15746 B13R0.274 COC(=O)C[C@@H](O)COCCCSC 34a_100000690336_100000754131 [0,2,0,0,0,0|1,0,0]=3 15747 B13R0.274 COC(=O)C[C@@H](O)COCCCSC 7a_100000690336_100000754131 [0,2,0,0,0,0|1,0,0]=3 15748 B13R0.274 COC(=O)C[C@@H](O)CSCCCC#N 62a_100000687738_100000754131 [0,2,0,0,0,0|1,0,1]=4 15749 B13R0.274 COC(=O)C[C@@H](O)CSCCCC#N 62a_100000754131_100000687738 [0,2,0,0,0,0|1,0,1]=4 15750 B13R0.274 COC(=O)C[C@@H](O)CSCCCC=O 62a_100000754131_200011292268 [0,2,0,0,0,0|1,0,1]=4 15751 B13R0.274 COC(=O)C[C@@H](O)CSCCCC=O 62a_200011292268_100000754131 [0,2,0,0,0,0|1,0,1]=4 15752 B13R0.274 COC(=O)C[C@@H](O)CSCCCCF 62a_100000729493_100000754131 [0,2,0,0,0,0|1,0,0]=3 15753 B13R0.274 COC(=O)C[C@@H](O)CSCCCCF 62a_100000754131_100000729493 [0,2,0,0,0,0|1,0,0]=3 15754 B13R0.274 COC(=O)C[C@@H](O)CSCCCCO 62a_100000210776_100000754131 [0,2,0,0,0,0|1,0,0]=3 15755 B13R0.274 COC(=O)C[C@@H](O)CSCCCCO 62a_100000754131_100000210776 [0,2,0,0,0,0|1,0,0]=3 15756 B13R0.274 COCCCCCC(=O)CC(=O)OC 1458a_100011935119_100000747449 [0,2,0,0,0,0|0,0,1]=3 15757 B13R0.274 COCCCCOC(C)CC(=O)OC 34a_100000740925_100009817358 [0,2,0,0,0,0|1,0,0]=3 15758 B13R0.274 COCCCCSC(C)CC(=O)OC 62a_100000730899_100009817358 [0,2,0,0,0,0|1,0,0]=3 15759 B13R0.274 COCCCCSC(C)CC(=O)OC 62a_100009817358_100000730899 [0,2,0,0,0,0|1,0,0]=3 15760 B13R0.274 COCCCNC[C@H](O)CC(=O)OC 34a_100150723488_100000754131 [0,2,0,0,0,0|1,0,0]=3 15761 B13R0.274 COCCCOC[C@H](O)CC(=O)OC 34a_100000740835_100000754131 [0,2,0,0,0,0|1,0,0]=3 15762 B13R0.274 COCCCSCC(=O)CC(=O)OC 62a_100000210525_100000709357 [0,2,0,0,0,0|1,0,1]=4 15763 B13R0.274 COCCCSCC(=O)CC(=O)OC 62a_100000709357_100000210525 [0,2,0,0,0,0|1,0,1]=4 15764 B13R0.274 COCCCSC[C@H](O)CC(=O)OC 62a_100000709357_100000754131 [0,2,0,0,0,0|1,0,0]=3 15765 B13R0.274 COCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000709357 [0,2,0,0,0,0|1,0,0]=3 15766 B13R0.274 COCCOCCC(=O)CC(=O)OC 1458a_100000211351_100000695917 [0,2,0,0,0,0|1,0,1]=4 15767 B13R0.274 COCCOCCC(=O)CC(=O)OC 1458a_100000745395_100000747449 [0,2,0,0,0,0|1,0,1]=4 15768 B13R0.274 COCCOCCN(C)CC(=O)OC 2230a_100000198492_100000695917 [0,2,0,0,0,0|2,0,0]=4 15769 B13R0.274 COCCOCSC(C)CC(=O)OC 62a_100000231047_100009817358 [0,2,0,0,0,0|2,0,0]=4 15770 B13R0.274 COCCOCSC(C)CC(=O)OC 62a_100009817358_100000231047 [0,2,0,0,0,0|2,0,0]=4 15771 B13R0.284 C=C(C)C(=O)NC(C)CCCCCC 11a_100000210919_100000185857 [0,2,0,0,0,0|2,0,0]=4 15772 B13R0.284 C=C(C)C(=O)NC(C)CCCCCC 1626a_100000210919_100000185857 [0,2,0,0,0,0|2,0,0]=4 15773 B13R0.284 CCCCCCC(=O)CC(=O)C(=O)C 1458a_100102632555_100011261029 [0,2,0,0,0,0|1,0,1]=4 15774 B13R0.284 CCCCCCC(=O)CC(=O)C(C)C 1458a_100102632555_100000753385 [0,2,0,0,0,0|1,0,1]=4 15775 B13R0.284 CCCCCCC(=O)CC(=O)N(C)C 1458a_100102632555_100000185267 [0,2,0,0,0,0|1,0,1]=4 15776 B13R0.284 CCCCCCC(C)NC(=O)C(C)C 11a_100000210919_100000210198 [0,2,0,0,0,0|2,0,0]=4 15777 B13R0.284 CCCCCCC(C)NC(=O)C(C)C 1626a_100000210919_100000210198 [0,2,0,0,0,0|2,0,0]=4 15778 B13R0.284 CCCCCCC(C)NC(=O)C(C)C 240690a_100000210919_100000210198 [0,2,0,0,0,0|2,0,0]=4 15779 B13R0.284 CCCCCCC(C)NC(=O)C(C)C 527a_100000210919_100000210198 [0,2,0,0,0,0|2,0,0]=4 15780 B13R0.284 CCCCCCC(C)NC(=O)C(C)F 11a_100000210919_100000062450 [0,2,0,0,0,0|2,0,0]=4 15781 B13R0.284 CCCCCCC(C)NC(=O)C(C)F 1626a_100000210919_100000062450 [0,2,0,0,0,0|2,0,0]=4 15782 B13R0.284 CCCCCCC(C)NC(=O)C(C)F 240690a_100000210919_100000062450 [0,2,0,0,0,0|2,0,0]=4 15783 B13R0.284 CCCCCCC(C)NC(=O)C(C)F 527a_100000210919_100000062450 [0,2,0,0,0,0|2,0,0]=4 15784 B13R0.284 CCCCCCC(C)NC(=O)N(C)C 2708a_100000210919_100102631434 [0,2,0,0,0,0|2,0,0]=4 15785 B13R0.284 CCCCCCC(C)NC(=O)[C@@H](C)O 240690a_100000210919_100000717761 [0,2,0,0,0,0|2,0,0]=4 15786 B13R0.284 CCCCCCC(C)NC(=O)[C@H](C)O 1626a_100000210919_217856618621 [0,2,0,0,0,0|2,0,0]=4 15787 B13R0.284 CCCCCCC(C)NC(=O)[C@H](C)O 240690a_100000210919_217856618621 [0,2,0,0,0,0|2,0,0]=4 15788 B13R0.284 CCCCCCN(C)CC(=O)C(=O)C 269982a_106256046315_100011261029 [0,2,0,0,0,0|2,0,0]=4 15789 B13R0.284 CCCCCCN(C)CC(=O)C(C)C 2230a_106256046315_100000753385 [0,2,0,0,0,0|2,0,0]=4 15790 B13R0.284 CCCCCCN(C)CC(=O)C(C)C 269982a_106256046315_100000753385 [0,2,0,0,0,0|2,0,0]=4 15791 B13R0.284 CCCCCCN(C)CC(=O)N(C)C 2230a_100000185065_100000210314 [0,2,0,0,0,0|2,0,0]=4 15792 B13R0.284 CCCCCCN(C)CC(=O)N(C)C 2230a_106256046315_100000185267 [0,2,0,0,0,0|2,0,0]=4 15793 B13R0.284 CCCCCCN(C)CC(=O)N(C)C 269982a_106256046315_100000185267 [0,2,0,0,0,0|2,0,0]=4 15794 B13R0.287 CCCCCCC(CC(=O)OC)OC 7a_100000076500_200000210301 [0,2,0,0,0,0|0,0,0]=2 15795 B13R0.287 CCCCCCC(CC(=O)OC)O[13CH3] 7a_100000076500_200025704644 [0,2,0,0,0,0|0,0,0]=2 15796 B13R0.287 CCCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210326 [0,2,0,0,0,0|1,0,0]=3 15797 B13R0.287 CCCCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210326 [0,2,0,0,0,0|1,0,0]=3 15798 B13R0.287 CCOCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100011215890 [0,2,0,0,0,0|2,0,0]=4 15799 B13R0.287 CCOCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100011215890 [0,2,0,0,0,0|2,0,0]=4 15800 B13R0.287 CCSCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000757381 [0,2,0,0,0,0|2,0,0]=4 15801 B13R0.287 CCSCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000757381 [0,2,0,0,0,0|2,0,0]=4 15802 B13R0.287 CC[C@@H](CC(=O)OC)OCCCCF 7a_200015357724_100000729493 [0,2,0,0,0,0|2,0,0]=4 15803 B13R0.287 CC[C@@H](CC(=O)OC)OCCCCO 7a_200015357724_100000210776 [0,2,0,0,0,0|2,0,0]=4 15804 B13R0.287 CC[C@@H](CC(=O)OC)OCCCOC 7a_200015357724_100000740836 [0,2,0,0,0,0|2,0,0]=4 15805 B13R0.287 COC(=O)C[C@H](CCl)OCCCCF 7a_100000754131_100000729493 [0,2,0,0,0,0|2,0,0]=4 15806 B13R0.287 COC(=O)C[C@H](CCl)OCCCCO 7a_100000754131_100000210776 [0,2,0,0,0,0|2,0,0]=4 15807 B13R0.287 COCCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000740836 [0,2,0,0,0,0|2,0,0]=4 15808 B13R0.805 CCCCCNS(=O)(=O)CC(=O)OC 270084a_100000209983_100000736875 [0,2,0,0,0,0|2,0,0]=4 15809 B13R0.805 CCCCCNS(=O)(=O)CC(=O)OC 274078a_100000209983_100000736875 [0,2,0,0,0,0|2,0,0]=4 15810 B13R0.805 CCCCCOC(C)(C)CC(=O)OC 7a_100015205050_100000210326 [0,2,0,0,0,0|1,0,0]=3 15811 B13R0.805 CCOCCOC(C)(C)CC(=O)OC 7a_100015205050_100011215890 [0,2,0,0,0,0|2,0,0]=4 15812 B13R0.805 CCSCCOC(C)(C)CC(=O)OC 7a_100015205050_100000757381 [0,2,0,0,0,0|2,0,0]=4 15813 B13R0.805 COC(=O)CC(C)(C)OCCCCF 7a_100015205050_100000729493 [0,2,0,0,0,0|2,0,0]=4 15814 B13R0.805 COC(=O)CC(C)(C)OCCCCO 7a_100015205050_100000210776 [0,2,0,0,0,0|2,0,0]=4 15815 B13R0.805 COCCCOC(C)(C)CC(=O)OC 7a_100015205050_100000740836 [0,2,0,0,0,0|2,0,0]=4 15816 B13R0.339 CCCCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210326 [0,2,0,0,0,0|1,0,1]=4 15817 B13R0.339 CCCCCC(C)CCC(=O)C(C)C 1458a_100000034243_100000210206 [0,2,0,0,0,0|1,0,0]=3 15818 B13R0.339 CCCCCC(C)CCC(=O)N(C)C 11a_100102631434_100000034243 [0,2,0,0,0,0|1,0,0]=3 15819 B13R0.339 CCCCCC(C)CCC(=O)N(C)C 1626a_100102631434_100000034243 [0,2,0,0,0,0|1,0,0]=3 15820 B13R0.339 CCCCCC(C)CCC(=O)N(C)C 240690a_100102631434_100000034243 [0,2,0,0,0,0|1,0,0]=3 15821 B13R0.339 CCCCCC(C)CCC(=O)N(C)C 527a_100102631434_100000034243 [0,2,0,0,0,0|1,0,0]=3 15822 B13R0.339 CCCCCC(C)NCC(=O)C(C)C 2230a_100000211957_100000753385 [0,2,0,0,0,0|2,0,0]=4 15823 B13R0.339 CCCCCC(C)NCC(=O)N(C)C 2230a_100000211957_100000185267 [0,2,0,0,0,0|2,0,0]=4 15824 B13R0.339 CCCCCC(C)NCC(=O)N(C)C 2230a_100015183351_200011218191 [0,2,0,0,0,0|2,0,0]=4 15825 B13R0.339 CCCCCC(C)NCC(=O)N(C)C 270004a_100015183351_100000211708 [0,2,0,0,0,0|2,0,0]=4 15826 B13R0.339 CCCCCC(C)OCC(=O)C(=O)C 34a_100011215632_100011261029 [0,2,0,0,0,0|2,0,0]=4 15827 B13R0.339 CCCCCC(C)OCC(=O)C(C)C 34a_100011215632_100000753385 [0,2,0,0,0,0|2,0,0]=4 15828 B13R0.339 CCCCCC(C)OCC(=O)C(C)C 7a_100011215632_100000753385 [0,2,0,0,0,0|2,0,0]=4 15829 B13R0.339 CCCCCC(C)OCC(=O)N(C)C 34a_100011215632_100000692301 [0,2,0,0,0,0|2,0,0]=4 15830 B13R0.339 CCCCCC(C)OCC(=O)N(C)C 7a_100011215632_100000692301 [0,2,0,0,0,0|2,0,0]=4 15831 B13R0.339 CCCCCC(C)SCC(=O)C(=O)C 62a_100011261029_200011218191 [0,2,0,0,0,0|2,0,0]=4 15832 B13R0.339 CCCCCC(C)SCC(=O)C(=O)C 62a_200011218191_100011261029 [0,2,0,0,0,0|2,0,0]=4 15833 B13R0.339 CCCCCC(C)SCC(=O)C(C)C 62a_100000753385_200011218191 [0,2,0,0,0,0|2,0,0]=4 15834 B13R0.339 CCCCCC(C)SCC(=O)C(C)C 62a_200011218191_100000753385 [0,2,0,0,0,0|2,0,0]=4 15835 B13R0.339 CCCCCC(C)SCC(=O)N(C)C 62a_100000692301_200011218191 [0,2,0,0,0,0|2,0,0]=4 15836 B13R0.339 CCCCCC(C)SCC(=O)N(C)C 62a_200011218191_100000692301 [0,2,0,0,0,0|2,0,0]=4 15837 B13R0.339 CCCCCN(C)CCC(=O)C(C)C 1458a_100016987678_100000210206 [0,2,0,0,0,0|2,0,0]=4 15838 B13R0.339 CCCCCN(C)CCC(=O)N(C)C 2230a_100000223495_100000737620 [0,2,0,0,0,0|2,0,0]=4 15839 B13R0.339 CCCCCN(C)CCC(=O)N(C)C 240690a_100102631434_100016987678 [0,2,0,0,0,0|2,0,0]=4 15840 B13R0.339 CCCCCN(C)CCC(=O)N(C)C 269982a_100000223495_100000737620 [0,2,0,0,0,0|2,0,0]=4 15841 B13R0.493 C#CC(=O)CCC(C)CCCC(C)C 1458a_100000211873_100009816328 [0,2,0,0,0,0|1,0,1]=4 15842 B13R0.493 C=CC(=O)CCC(C)CCCC(C)C 1458a_100000185746_100009816328 [0,2,0,0,0,0|1,0,1]=4 15843 B13R0.493 CC(C)CCCC(C)CCC(=O)CO 1458a_100000210174_100009816328 [0,2,0,0,0,0|2,0,0]=4 15844 B13R0.493 CCC(=O)CCC(C)CCCC(C)C 1458a_100000210414_100009816328 [0,2,0,0,0,0|1,0,0]=3 15845 B13R0.493 CCC(=O)COC(C)CCCC(C)C 7a_200011218570_100000747405 [0,2,0,0,0,0|2,0,0]=4 15846 B13R0.493 CNC(=O)CCC(=O)CCCC(C)C 1458a_100011309844_100011214892 [0,2,0,0,0,0|1,0,1]=4 15847 B13R0.493 CNC(=O)CCC(=O)CCCC(C)O 1458a_100011309844_200000718107 [0,2,0,0,0,0|1,0,1]=4 15848 B13R0.493 CNC(=O)CCN(C)CCCC(C)C 2230a_100000750875_100011214892 [0,2,0,0,0,0|2,0,0]=4 15849 B13R0.493 CNC(=O)CCN(C)CCCC(C)C 269982a_100000750875_100011214892 [0,2,0,0,0,0|2,0,0]=4 15850 B13R0.493 CNC(=O)CCN(C)CCCC(C)O 2230a_100000750875_200000718107 [0,2,0,0,0,0|2,0,0]=4 15851 B13R0.493 CNC(=O)CCN(C)CCCC(C)O 269982a_100000750875_200000718107 [0,2,0,0,0,0|2,0,0]=4 15852 B13R0.493 CNC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000183359 [0,2,0,0,0,0|2,0,0]=4 15853 B13R0.493 CNC(=O)CNC(C)CCCC(C)C 270004a_100000693194_100000753411 [0,2,0,0,0,0|2,0,0]=4 15854 B13R0.493 CNC(=O)COC(C)CCCC(C)C 34a_200011218570_100000183359 [0,2,0,0,0,0|2,0,0]=4 15855 B13R0.493 CNC(=O)COC(C)CCCC(C)C 7a_200011218570_100000183359 [0,2,0,0,0,0|2,0,0]=4 15856 B13R0.493 COC(=O)CCC(=O)CCCC(=O)C 1458a_100000187943_100011215641 [0,2,0,0,0,0|0,0,2]=4 15857 B13R0.493 COC(=O)CCC(=O)CCCC(C)C 1458a_100000187943_100011214892 [0,2,0,0,0,0|0,0,1]=3 15858 B13R0.493 COC(=O)CCC(=O)CCCC(C)O 1458a_100000187943_200000718107 [0,2,0,0,0,0|0,0,1]=3 15859 B13R0.493 COC(=O)CCC(=O)CCCN(C)C 1458a_100000187943_100000695564 [0,2,0,0,0,0|1,0,1]=4 15860 B13R0.493 COC(=O)CCC(=O)CCOC(C)C 1458a_100000187943_100000211751 [0,2,0,0,0,0|1,0,1]=4 15861 B13R0.493 COC(=O)CCC(=O)CCSC(C)C 1458a_100000187943_100000730970 [0,2,0,0,0,0|1,0,1]=4 15862 B13R0.493 COC(=O)CCC(=O)CNCC(C)C 2230a_100000210953_100000691467 [0,2,0,0,0,0|1,0,1]=4 15863 B13R0.493 COC(=O)CCC(=O)CNCC(C)C 34a_100000210953_100000691467 [0,2,0,0,0,0|1,0,1]=4 15864 B13R0.493 COC(=O)CCC(=O)CNCC(C)O 2230a_100000210904_100000691467 [0,2,0,0,0,0|1,0,1]=4 15865 B13R0.493 COC(=O)CCC(=O)CNCC(C)O 34a_100000210904_100000691467 [0,2,0,0,0,0|1,0,1]=4 15866 B13R0.493 COC(=O)CCC(=O)COCC(C)Br 34a_100012180447_100000691467 [0,2,0,0,0,0|1,0,1]=4 15867 B13R0.493 COC(=O)CCC(=O)COCC(C)C 34a_100000210257_100000691467 [0,2,0,0,0,0|1,0,1]=4 15868 B13R0.493 COC(=O)CCC(=O)COCC(C)F 34a_100015925927_100000691467 [0,2,0,0,0,0|1,0,1]=4 15869 B13R0.493 COC(=O)CCC(=O)COC[C@@H](C)Cl 34a_100016084084_100000691467 [0,2,0,0,0,0|1,0,1]=4 15870 B13R0.493 COC(=O)CCC(=O)COC[C@@H](C)N 34a_100000737577_100000691467 [0,2,0,0,0,0|1,0,1]=4 15871 B13R0.493 COC(=O)CCC(=O)CSCC(C)C 62a_100000210624_100000691467 [0,2,0,0,0,0|1,0,1]=4 15872 B13R0.493 COC(=O)CCC(=O)CSCC(C)C 62a_100000691467_100000210760 [0,2,0,0,0,0|1,0,1]=4 15873 B13R0.493 COC(=O)CCC(=O)CSCC(C)O 62a_100000691467_100011218427 [0,2,0,0,0,0|1,0,1]=4 15874 B13R0.493 COC(=O)CCC(=O)CSCC(C)O 62a_100011218427_100000691467 [0,2,0,0,0,0|1,0,1]=4 15875 B13R0.493 COC(=O)CCC(=O)CSC[C@@H](C)O 62a_100000691467_100009817552 [0,2,0,0,0,0|1,0,1]=4 15876 B13R0.493 COC(=O)CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000691467 [0,2,0,0,0,0|1,0,1]=4 15877 B13R0.493 COC(=O)CCC(=O)NCCC(C)C 11a_100000210545_100000187943 [0,2,0,0,0,0|1,0,1]=4 15878 B13R0.493 COC(=O)CCC(=O)NCCC(C)C 1626a_100000210545_100000187943 [0,2,0,0,0,0|1,0,1]=4 15879 B13R0.493 COC(=O)CCC(=O)NCCC(C)C 240690a_100000210545_100000187943 [0,2,0,0,0,0|1,0,1]=4 15880 B13R0.493 COC(=O)CCC(=O)NCCC(C)C 527a_100000210545_100000187943 [0,2,0,0,0,0|1,0,1]=4 15881 B13R0.493 COC(=O)CCC(=O)NCCC(C)O 240690a_200000755665_100000187943 [0,2,0,0,0,0|1,0,1]=4 15882 B13R0.493 COC(=O)CCC(=O)NCCC(C)O 527a_200000755665_100000187943 [0,2,0,0,0,0|1,0,1]=4 15883 B13R0.493 COC(=O)CCN(C)CCCC(=O)C 269982a_100025711912_100011215641 [0,2,0,0,0,0|1,0,1]=4 15884 B13R0.493 COC(=O)CCN(C)CCCC(C)C 269982a_100025711912_100011214892 [0,2,0,0,0,0|1,0,0]=3 15885 B13R0.493 COC(=O)CCN(C)CCCC(C)O 269982a_100025711912_200000718107 [0,2,0,0,0,0|1,0,0]=3 15886 B13R0.493 COC(=O)CCN(C)CCCN(C)C 269982a_100000225831_100000204255 [0,2,0,0,0,0|2,0,0]=4 15887 B13R0.493 COC(=O)CCN(C)CCCN(C)C 269982a_100025711912_100000757444 [0,2,0,0,0,0|2,0,0]=4 15888 B13R0.493 COC(=O)CCN(C)CCOC(C)C 269982a_100025711912_100000211751 [0,2,0,0,0,0|2,0,0]=4 15889 B13R0.493 COC(=O)CCN(C)CCSC(C)C 269982a_100025711912_100000730970 [0,2,0,0,0,0|2,0,0]=4 15890 B13R0.493 COC(=O)CNC(=O)CCCC(C)C 188690a_100000185156_100011216857 [0,2,0,0,0,0|1,0,1]=4 15891 B13R0.493 COC(=O)CNC(=O)CCCC(C)O 188690a_100000185156_100000761597 [0,2,0,0,0,0|1,0,1]=4 15892 B13R0.493 COC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000747449 [0,2,0,0,0,0|1,0,0]=3 15893 B13R0.493 COC(=O)COC(C)CCCC(C)C 34a_200011218570_100000747449 [0,2,0,0,0,0|1,0,0]=3 15894 B13R0.493 COC(=O)COC(C)CCCC(C)C 7a_200011218570_100000747449 [0,2,0,0,0,0|1,0,0]=3 15895 B13R0.493 COC(=O)NCC(=O)CCCC(C)C 1458a_100000215747_100011214892 [0,2,0,0,0,0|1,0,1]=4 15896 B13R0.493 COC(=O)NCC(=O)CCCC(C)O 1458a_100000215747_200000718107 [0,2,0,0,0,0|1,0,1]=4 15897 B13R0.961 CCC(=O)COC(C)CCC(C)CC 7a_200011216552_100000747405 [0,2,0,0,0,0|2,0,0]=4 15898 B13R0.961 CCC(C)CCC(=O)NCC(=O)OC 188690a_100000185156_100000701222 [0,2,0,0,0,0|1,0,1]=4 15899 B13R0.961 CCC(C)CCC(C)OCC(=O)NC 7a_200011216552_100000183359 [0,2,0,0,0,0|2,0,0]=4 15900 B13R0.961 CCC(C)CCC(C)OCC(=O)OC 7a_200011216552_100000747449 [0,2,0,0,0,0|1,0,0]=3 15901 B13R0.961 CCC(C)CNC(=O)CCC(=O)OC 11a_100020588543_100000187943 [0,2,0,0,0,0|1,0,1]=4 15902 B13R0.961 CCC(C)CNC(=O)CCC(=O)OC 1626a_100020588543_100000187943 [0,2,0,0,0,0|1,0,1]=4 15903 B13R0.961 CCC(C)CNC(=O)CCC(=O)OC 240690a_100020588543_100000187943 [0,2,0,0,0,0|1,0,1]=4 15904 B13R0.961 CCC(C)CNC(=O)CCC(=O)OC 527a_100020588543_100000187943 [0,2,0,0,0,0|1,0,1]=4 15905 B13R0.961 CCC(C)NCC(=O)CCC(=O)OC 2230a_100000209981_100000691467 [0,2,0,0,0,0|1,0,1]=4 15906 B13R0.961 CCC(C)OCC(=O)CCC(=O)OC 7a_100000210228_100000691467 [0,2,0,0,0,0|1,0,1]=4 15907 B13R0.961 CCC(C)SCC(=O)CCC(=O)OC 62a_100000691467_100000758301 [0,2,0,0,0,0|1,0,1]=4 15908 B13R0.961 CCC(C)SCC(=O)CCC(=O)OC 62a_100000758301_100000691467 [0,2,0,0,0,0|1,0,1]=4 15909 B13R0.961 CCC(O)CCC(=O)NCC(=O)OC 188690a_100000185156_203496584001 [0,2,0,0,0,0|1,0,1]=4 15910 B13R0.961 CCC(O)CNC(=O)CCC(=O)OC 11a_100011218483_100000187943 [0,2,0,0,0,0|1,0,1]=4 15911 B13R0.961 CCC(O)CNC(=O)CCC(=O)OC 240690a_100011218483_100000187943 [0,2,0,0,0,0|1,0,1]=4 15912 B13R0.961 CCC(O)CNC(=O)CCC(=O)OC 527a_100011218483_100000187943 [0,2,0,0,0,0|1,0,1]=4 15913 B13R0.1052 C#CC(CCCCC)OCC(=O)CC 7a_100011216489_100000747405 [0,2,0,0,0,0|2,0,0]=4 15914 B13R0.1052 C#CC(CCCCC)OCC(=O)NC 34a_100011216489_100000183359 [0,2,0,0,0,0|2,0,0]=4 15915 B13R0.1052 C#CC(CCCCC)OCC(=O)NC 7a_100011216489_100000183359 [0,2,0,0,0,0|2,0,0]=4 15916 B13R0.1052 C#CC(CCCCC)OCC(=O)OC 34a_100011216489_100000747449 [0,2,0,0,0,0|1,0,0]=3 15917 B13R0.1052 C#CC(CCCCC)OCC(=O)OC 7a_100011216489_100000747449 [0,2,0,0,0,0|1,0,0]=3 15918 B13R0.1052 C=CC(CCCCC)OCC(=O)CC 7a_100011216863_100000747405 [0,2,0,0,0,0|2,0,0]=4 15919 B13R0.1052 C=CC(CCCCC)OCC(=O)NC 34a_100011216863_100000183359 [0,2,0,0,0,0|2,0,0]=4 15920 B13R0.1052 C=CC(CCCCC)OCC(=O)NC 7a_100011216863_100000183359 [0,2,0,0,0,0|2,0,0]=4 15921 B13R0.1052 C=CC(CCCCC)OCC(=O)OC 34a_100011216863_100000747449 [0,2,0,0,0,0|1,0,0]=3 15922 B13R0.1052 C=CC(CCCCC)OCC(=O)OC 7a_100011216863_100000747449 [0,2,0,0,0,0|1,0,0]=3 15923 B13R0.1052 CCCCCC(CC)NCC(=O)NC 270004a_100000693194_100011215316 [0,2,0,0,0,0|2,0,0]=4 15924 B13R0.1052 CCCCCC(CC)OCC(=O)CC 7a_100011215405_100000747405 [0,2,0,0,0,0|2,0,0]=4 15925 B13R0.1052 CCCCCC(CC)OCC(=O)NC 34a_100011215405_100000183359 [0,2,0,0,0,0|2,0,0]=4 15926 B13R0.1052 CCCCCC(CC)OCC(=O)NC 7a_100011215405_100000183359 [0,2,0,0,0,0|2,0,0]=4 15927 B13R0.1052 CCCCCC(CC)OCC(=O)OC 34a_100011215405_100000747449 [0,2,0,0,0,0|1,0,0]=3 15928 B13R0.1052 CCCCCC(CC)OCC(=O)OC 7a_100011215405_100000747449 [0,2,0,0,0,0|1,0,0]=3 15929 B13R0.1052 CCCCCN(CC)CCC(=O)OC 2230a_100000229097_100000210326 [0,2,0,0,0,0|1,0,0]=3 15930 B13R0.1052 CCCCCN(CC)CCC(=O)OC 269982a_100000229097_100000210215 [0,2,0,0,0,0|1,0,0]=3 15931 B13R0.1052 CCN(CCCCF)CCC(=O)OC 2230a_100000229097_100000729493 [0,2,0,0,0,0|2,0,0]=4 15932 B13R0.1052 CCN(CCCCF)CCC(=O)OC 269982a_100000229097_100000729493 [0,2,0,0,0,0|2,0,0]=4 15933 B13R0.1052 CCN(CCCCO)CCC(=O)OC 2230a_100000229097_100000210776 [0,2,0,0,0,0|2,0,0]=4 15934 B13R0.1052 CCN(CCCCO)CCC(=O)OC 2230a_100011217355_100000204255 [0,2,0,0,0,0|2,0,0]=4 15935 B13R0.1052 CCN(CCCCO)CCC(=O)OC 269982a_100000229097_100000210776 [0,2,0,0,0,0|2,0,0]=4 15936 B13R0.1052 CCN(CCCCO)CCC(=O)OC 269982a_100011217355_100000204255 [0,2,0,0,0,0|2,0,0]=4 15937 B13R0.1052 CCN(CCCOC)CCC(=O)OC 2230a_100000229097_100000740836 [0,2,0,0,0,0|2,0,0]=4 15938 B13R0.1052 CCN(CCCOC)CCC(=O)OC 269982a_100000229097_100000740836 [0,2,0,0,0,0|2,0,0]=4 15939 B13R0.1052 CCOCCN(CC)CCC(=O)OC 2230a_100000229097_100011215890 [0,2,0,0,0,0|2,0,0]=4 15940 B13R0.1052 CCOCCN(CC)CCC(=O)OC 269982a_100000229097_100011215890 [0,2,0,0,0,0|2,0,0]=4 15941 B13R0.1052 CCSCCN(CC)CCC(=O)OC 2230a_100000229097_100000757381 [0,2,0,0,0,0|2,0,0]=4 15942 B13R0.1052 CCSCCN(CC)CCC(=O)OC 269982a_100000229097_100000757381 [0,2,0,0,0,0|2,0,0]=4 15943 B13R0.1170 C#CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100010269958 [0,2,0,0,0,0|0,0,2]=4 15944 B13R0.1170 C#CCCCCN(C)CCC(=O)OC 269982a_100025711912_100010269958 [0,2,0,0,0,0|0,0,2]=4 15945 B13R0.1170 C=CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100011215482 [0,2,0,0,0,0|0,0,2]=4 15946 B13R0.1170 C=CCCCCN(C)CCC(=O)OC 2230a_100012000471_100000204255 [0,2,0,0,0,0|0,0,2]=4 15947 B13R0.1170 C=CCCCCN(C)CCC(=O)OC 269982a_100012000471_100000204255 [0,2,0,0,0,0|0,0,2]=4 15948 B13R0.1170 C=CCCCCN(C)CCC(=O)OC 269982a_100025711912_100011215482 [0,2,0,0,0,0|0,0,2]=4 15949 B13R0.1170 CC/C=C\CCC(=O)CCC(=O)OC 1458a_100000187943_100015370543 [0,2,0,0,0,0|0,0,2]=4 15950 B13R0.1170 CC/C=C\CCN(C)CCC(=O)OC 269982a_100025711912_100015370543 [0,2,0,0,0,0|0,0,2]=4 15951 B13R0.1170 CCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210757 [0,2,0,0,0,0|1,0,0]=3 15952 B13R0.1170 CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210757 [0,2,0,0,0,0|0,0,0]=2 15953 B13R0.1170 CCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210757 [0,2,0,0,0,0|2,0,0]=4 15954 B13R0.1170 CCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210757 [0,2,0,0,0,0|1,0,1]=4 15955 B13R0.1170 CCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210757 [0,2,0,0,0,0|0,0,1]=3 15956 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 11a_100000693194_100102632555 [0,2,0,0,0,0|1,0,1]=4 15957 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 240690a_100000693194_100102632555 [0,2,0,0,0,0|1,0,1]=4 15958 B13R0.1170 CCCCCCC(=O)NCC(=O)NC 527a_100000693194_100102632555 [0,2,0,0,0,0|1,0,1]=4 15959 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100102632555 [0,2,0,0,0,0|0,0,1]=3 15960 B13R0.1170 CCCCCCC(C)NCC(=O)NC 2230a_100000210919_100000183359 [0,2,0,0,0,0|1,0,0]=3 15961 B13R0.1170 CCCCCCC(C)NCC(=O)NC 2230a_100000693194_100011215978 [0,2,0,0,0,0|1,0,0]=3 15962 B13R0.1170 CCCCCCC(C)NCC(=O)NC 270004a_100000693194_100000210826 [0,2,0,0,0,0|1,0,0]=3 15963 B13R0.1170 CCCCCCC(C)NCC(=O)NC 34a_100000210919_100000183359 [0,2,0,0,0,0|1,0,0]=3 15964 B13R0.1170 CCCCCCC(C)NCC(=O)OC 2230a_100000210919_100000747449 [0,2,0,0,0,0|0,0,0]=2 15965 B13R0.1170 CCCCCCC(C)NCC(=O)OC 34a_100000210919_100000747449 [0,2,0,0,0,0|0,0,0]=2 15966 B13R0.1170 CCCCCCC(C)NC[C@@H](C)OC 2230a_100020591295_100011215978 [0,2,0,0,0,0|1,0,1]=4 15967 B13R0.1170 CCCCCCC(C)NC[C@@H](C)OC 270004a_100020591295_100000210826 [0,2,0,0,0,0|1,0,1]=4 15968 B13R0.1170 CCCCCCC(C)OCC(=O)CC 34a_100000725409_100011215978 [0,2,0,0,0,0|1,0,0]=3 15969 B13R0.1170 CCCCCCC(C)OCC(=O)CC 7a_100000210265_100000747405 [0,2,0,0,0,0|1,0,0]=3 15970 B13R0.1170 CCCCCCC(C)OCC(=O)NC 34a_100000210265_100000183359 [0,2,0,0,0,0|1,0,0]=3 15971 B13R0.1170 CCCCCCC(C)OCC(=O)NC 34a_100000750040_100011215978 [0,2,0,0,0,0|1,0,0]=3 15972 B13R0.1170 CCCCCCC(C)OCC(=O)NC 7a_100000210265_100000183359 [0,2,0,0,0,0|1,0,0]=3 15973 B13R0.1170 CCCCCCC(C)OCC(=O)OC 34a_100000210265_100000747449 [0,2,0,0,0,0|0,0,0]=2 15974 B13R0.1170 CCCCCCC(C)OCC(=O)OC 7a_100000210265_100000747449 [0,2,0,0,0,0|0,0,0]=2 15975 B13R0.1170 CCCCCCC(C)OCC(C)OC 34a_100000690652_100011215978 [0,2,0,0,0,0|1,0,1]=4 15976 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100000747405_100011215978 [0,2,0,0,0,0|1,0,0]=3 15977 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100011215978_100000747405 [0,2,0,0,0,0|1,0,0]=3 15978 B13R0.1170 CCCCCCC(C)SCC(=O)NC 62a_100000183359_100011215978 [0,2,0,0,0,0|1,0,0]=3 15979 B13R0.1170 CCCCCCC(C)SCC(=O)NC 62a_100011215978_100000183359 [0,2,0,0,0,0|1,0,0]=3 15980 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100000747449_100011215978 [0,2,0,0,0,0|0,0,0]=2 15981 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100011215978_100000747449 [0,2,0,0,0,0|0,0,0]=2 15982 B13R0.1170 CCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210314 [0,2,0,0,0,0|1,0,0]=3 15983 B13R0.1170 CCCCCCN(C)CCC(=O)NC 2230a_106256046315_100000737683 [0,2,0,0,0,0|1,0,0]=3 15984 B13R0.1170 CCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210757 [0,2,0,0,0,0|1,0,0]=3 15985 B13R0.1170 CCCCCCN(C)CCC(=O)NC 269982a_106256046315_100000737683 [0,2,0,0,0,0|1,0,0]=3 15986 B13R0.1170 CCCCCCN(C)CCC(=O)OC 2230a_106256046315_100000204255 [0,2,0,0,0,0|0,0,0]=2 15987 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210757 [0,2,0,0,0,0|0,0,0]=2 15988 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_106256046315_100000204255 [0,2,0,0,0,0|0,0,0]=2 15989 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 11a_100000209983_100011309844 [0,2,0,0,0,0|1,0,1]=4 15990 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 1626a_100000209983_100011309844 [0,2,0,0,0,0|1,0,1]=4 15991 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 240690a_100000209983_100011309844 [0,2,0,0,0,0|1,0,1]=4 15992 B13R0.1170 CCCCCNC(=O)CCC(=O)NC 527a_100000209983_100011309844 [0,2,0,0,0,0|1,0,1]=4 15993 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 11a_100000209983_100000187943 [0,2,0,0,0,0|0,0,1]=3 15994 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 1626a_100000209983_100000187943 [0,2,0,0,0,0|0,0,1]=3 15995 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 240690a_100000209983_100000187943 [0,2,0,0,0,0|0,0,1]=3 15996 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 527a_100000209983_100000187943 [0,2,0,0,0,0|0,0,1]=3 15997 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 11a_100000209983_100000215747 [0,2,0,0,0,0|1,0,1]=4 15998 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 1626a_100000209983_100000215747 [0,2,0,0,0,0|1,0,1]=4 15999 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 240690a_100000209983_100000215747 [0,2,0,0,0,0|1,0,1]=4 16000 B13R0.1170 CCCCCNC(=O)CNC(=O)OC 527a_100000209983_100000215747 [0,2,0,0,0,0|1,0,1]=4 16001 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 2230a_100000102301_100000691467 [0,2,0,0,0,0|0,0,1]=3 16002 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 7a_106832991798_100000691467 [0,2,0,0,0,0|0,0,1]=3 16003 B13R0.1170 CCCCNCC(=O)NCC(=O)OC 2230a_100000102301_100000182966 [0,2,0,0,0,0|1,0,1]=4 16004 B13R0.1170 CCCCNCC(=O)NCC(=O)OC 7a_106832991798_100000182966 [0,2,0,0,0,0|1,0,1]=4 16005 B13R0.1170 CCCCNN=C(C)CCC(=O)OC 4a_100025702795_100000756497 [0,2,0,0,0,0|1,0,1]=4 16006 B13R0.1170 CCCCOCC(=O)CCC(=O)NC 1458a_100011309844_100011995733 [0,2,0,0,0,0|1,0,1]=4 16007 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 1458a_100000187943_100011995733 [0,2,0,0,0,0|0,0,1]=3 16008 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 34a_100000210227_100000691467 [0,2,0,0,0,0|0,0,1]=3 16009 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 7a_100000210227_100000691467 [0,2,0,0,0,0|0,0,1]=3 16010 B13R0.1170 CCCCOCC(=O)CNC(=O)OC 1458a_100000215747_100011995733 [0,2,0,0,0,0|1,0,1]=4 16011 B13R0.1170 CCCCOCC(=O)NCC(=O)OC 188690a_100000185156_100000757543 [0,2,0,0,0,0|1,0,1]=4 16012 B13R0.1170 CCCCOCC(=O)NCC(=O)OC 34a_100000210227_100000182966 [0,2,0,0,0,0|1,0,1]=4 16013 B13R0.1170 CCCCOCC(=O)NCC(=O)OC 7a_100000210227_100000182966 [0,2,0,0,0,0|1,0,1]=4 16014 B13R0.1170 CCCCOCC(C)OCC(=O)CC 7a_100011217071_100000747405 [0,2,0,0,0,0|2,0,0]=4 16015 B13R0.1170 CCCCOCC(C)OCC(=O)NC 34a_100011217071_100000183359 [0,2,0,0,0,0|2,0,0]=4 16016 B13R0.1170 CCCCOCC(C)OCC(=O)NC 7a_100011217071_100000183359 [0,2,0,0,0,0|2,0,0]=4 16017 B13R0.1170 CCCCOCC(C)OCC(=O)OC 34a_100011217071_100000747449 [0,2,0,0,0,0|1,0,0]=3 16018 B13R0.1170 CCCCOCC(C)OCC(=O)OC 7a_100011217071_100000747449 [0,2,0,0,0,0|1,0,0]=3 16019 B13R0.1170 CCCCOCN(C)CCC(=O)NC 2230a_100000750875_100011995733 [0,2,0,0,0,0|2,0,0]=4 16020 B13R0.1170 CCCCOCN(C)CCC(=O)NC 269982a_100000750875_100011995733 [0,2,0,0,0,0|2,0,0]=4 16021 B13R0.1170 CCCCOCN(C)CCC(=O)OC 269982a_100025711912_100011995733 [0,2,0,0,0,0|1,0,0]=3 16022 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000210211_100000691467 [0,2,0,0,0,0|0,0,1]=3 16023 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210210 [0,2,0,0,0,0|0,0,1]=3 16024 B13R0.1170 CCCCSCC(=O)NCC(=O)OC 188690a_100000185156_100000191162 [0,2,0,0,0,0|1,0,1]=4 16025 B13R0.1170 CCCCSCC(=O)NCC(=O)OC 62a_100000182966_100000210210 [0,2,0,0,0,0|1,0,1]=4 16026 B13R0.1170 CCCCSCC(=O)NCC(=O)OC 62a_100000210211_100000182966 [0,2,0,0,0,0|1,0,1]=4 16027 B13R0.1170 CCCOCCC(=O)CCC(=O)NC 1458a_100011309844_100011215938 [0,2,0,0,0,0|1,0,1]=4 16028 B13R0.1170 CCCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215938 [0,2,0,0,0,0|0,0,1]=3 16029 B13R0.1170 CCCOCCC(=O)CNC(=O)OC 1458a_100000215747_100011215938 [0,2,0,0,0,0|1,0,1]=4 16030 B13R0.1170 CCCOCCN(C)CCC(=O)NC 2230a_100000750875_100011215938 [0,2,0,0,0,0|2,0,0]=4 16031 B13R0.1170 CCCOCCN(C)CCC(=O)NC 269982a_100000750875_100011215938 [0,2,0,0,0,0|2,0,0]=4 16032 B13R0.1170 CCCOCCN(C)CCC(=O)OC 269982a_100025711912_100011215938 [0,2,0,0,0,0|1,0,0]=3 16033 B13R0.1170 CCOCCCC(=O)CCC(=O)NC 1458a_100011309844_100012232248 [0,2,0,0,0,0|1,0,1]=4 16034 B13R0.1170 CCOCCCC(=O)CCC(=O)OC 1458a_100000187943_100012232248 [0,2,0,0,0,0|0,0,1]=3 16035 B13R0.1170 CCOCCCC(=O)CNC(=O)OC 1458a_100000215747_100012232248 [0,2,0,0,0,0|1,0,1]=4 16036 B13R0.1170 CCOCCCN(C)CCC(=O)NC 2230a_100000750875_100012232248 [0,2,0,0,0,0|2,0,0]=4 16037 B13R0.1170 CCOCCCN(C)CCC(=O)NC 269982a_100000750875_100012232248 [0,2,0,0,0,0|2,0,0]=4 16038 B13R0.1170 CCOCCCN(C)CCC(=O)OC 269982a_100025711912_100012232248 [0,2,0,0,0,0|1,0,0]=3 16039 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 11a_100011200944_100000187943 [0,2,0,0,0,0|1,0,1]=4 16040 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 1626a_102516460346_100000187943 [0,2,0,0,0,0|1,0,1]=4 16041 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 240690a_100011200944_100000187943 [0,2,0,0,0,0|1,0,1]=4 16042 B13R0.1170 CCOCCNC(=O)CCC(=O)OC 527a_100011200944_100000187943 [0,2,0,0,0,0|1,0,1]=4 16043 B13R0.1170 CCOCSCC(=O)CCC(=O)OC 62a_100000691467_100000739092 [0,2,0,0,0,0|1,0,1]=4 16044 B13R0.1170 CCOCSCC(=O)CCC(=O)OC 62a_100000739092_100000691467 [0,2,0,0,0,0|1,0,1]=4 16045 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 11a_100000106463_100000187943 [0,2,0,0,0,0|1,0,1]=4 16046 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 1626a_100000106463_100000187943 [0,2,0,0,0,0|1,0,1]=4 16047 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 240690a_100000106463_100000187943 [0,2,0,0,0,0|1,0,1]=4 16048 B13R0.1170 CCSCCNC(=O)CCC(=O)OC 527a_100000106463_100000187943 [0,2,0,0,0,0|1,0,1]=4 16049 B13R0.1170 CNC(=O)CCC(=O)CCCCCF 1458a_100011309844_100000729378 [0,2,0,0,0,0|1,0,1]=4 16050 B13R0.1170 CNC(=O)CCC(=O)CCCCCO 1458a_100011309844_100000746330 [0,2,0,0,0,0|1,0,1]=4 16051 B13R0.1170 CNC(=O)CCC(=O)CCCCOC 1458a_100011309844_100000755781 [0,2,0,0,0,0|1,0,1]=4 16052 B13R0.1170 CNC(=O)CCN(C)CCCCCF 2230a_100000750875_100000729378 [0,2,0,0,0,0|2,0,0]=4 16053 B13R0.1170 CNC(=O)CCN(C)CCCCCF 269982a_100000750875_100000729378 [0,2,0,0,0,0|2,0,0]=4 16054 B13R0.1170 CNC(=O)CCN(C)CCCCCO 2230a_100000722520_100000737683 [0,2,0,0,0,0|2,0,0]=4 16055 B13R0.1170 CNC(=O)CCN(C)CCCCCO 2230a_100000750875_100000746330 [0,2,0,0,0,0|2,0,0]=4 16056 B13R0.1170 CNC(=O)CCN(C)CCCCCO 269982a_100000722520_100000737683 [0,2,0,0,0,0|2,0,0]=4 16057 B13R0.1170 CNC(=O)CCN(C)CCCCCO 269982a_100000750875_100000746330 [0,2,0,0,0,0|2,0,0]=4 16058 B13R0.1170 CNC(=O)CCN(C)CCCCOC 2230a_100000750875_100000730899 [0,2,0,0,0,0|2,0,0]=4 16059 B13R0.1170 CNC(=O)CCN(C)CCCCOC 269982a_100000750875_100000730899 [0,2,0,0,0,0|2,0,0]=4 16060 B13R0.1170 COC(=O)CCC(=O)CCCCC#N 1458a_100000187943_100000211819 [0,2,0,0,0,0|0,0,2]=4 16061 B13R0.1170 COC(=O)CCC(=O)CCCCCF 1458a_100000187943_100000729378 [0,2,0,0,0,0|0,0,1]=3 16062 B13R0.1170 COC(=O)CCC(=O)CCCCCO 1458a_100000187943_100000746330 [0,2,0,0,0,0|0,0,1]=3 16063 B13R0.1170 COC(=O)CCC(=O)CCOCCO 1458a_100000187943_100011215305 [0,2,0,0,0,0|1,0,1]=4 16064 B13R0.1170 COC(=O)CCC(=O)CNCCCF 2230a_100015189416_100000691467 [0,2,0,0,0,0|1,0,1]=4 16065 B13R0.1170 COC(=O)CCC(=O)CNCCCF 34a_100015189416_100000691467 [0,2,0,0,0,0|1,0,1]=4 16066 B13R0.1170 COC(=O)CCC(=O)CNCCSC 2230a_100020590264_100000691467 [0,2,0,0,0,0|1,0,1]=4 16067 B13R0.1170 COC(=O)CCC(=O)COCCCBr 34a_100011217188_100000691467 [0,2,0,0,0,0|1,0,1]=4 16068 B13R0.1170 COC(=O)CCC(=O)COCCCCl 34a_100000230001_100000691467 [0,2,0,0,0,0|1,0,1]=4 16069 B13R0.1170 COC(=O)CCC(=O)COCCCF 34a_100000759539_100000691467 [0,2,0,0,0,0|1,0,1]=4 16070 B13R0.1170 COC(=O)CCC(=O)COCCCN 34a_100000182051_100000691467 [0,2,0,0,0,0|1,0,1]=4 16071 B13R0.1170 COC(=O)CCC(=O)COCCSC 34a_100000230434_100000691467 [0,2,0,0,0,0|1,0,1]=4 16072 B13R0.1170 COC(=O)CCC(=O)COCCSC 7a_100000230434_100000691467 [0,2,0,0,0,0|1,0,1]=4 16073 B13R0.1170 COC(=O)CCC(=O)CSCCCF 62a_100000691467_100011934791 [0,2,0,0,0,0|1,0,1]=4 16074 B13R0.1170 COC(=O)CCC(=O)CSCCCF 62a_100011934791_100000691467 [0,2,0,0,0,0|1,0,1]=4 16075 B13R0.1170 COC(=O)CCC(=O)CSCCCO 62a_100000691467_100011215043 [0,2,0,0,0,0|1,0,1]=4 16076 B13R0.1170 COC(=O)CCC(=O)CSCCCO 62a_100011215043_100000691467 [0,2,0,0,0,0|1,0,1]=4 16077 B13R0.1170 COC(=O)CCC(=O)CSCCSC 62a_100000212216_100000691467 [0,2,0,0,0,0|1,0,1]=4 16078 B13R0.1170 COC(=O)CCC(=O)CSCCSC 62a_100000691467_100000751147 [0,2,0,0,0,0|1,0,1]=4 16079 B13R0.1170 COC(=O)CCC(=O)NCCCCO 240690a_100000750430_100000187943 [0,2,0,0,0,0|1,0,1]=4 16080 B13R0.1170 COC(=O)CCC(=O)NCCCCO 527a_100000750430_100000187943 [0,2,0,0,0,0|1,0,1]=4 16081 B13R0.1170 COC(=O)CCC(=O)NCCCSC 11a_100000749238_100000187943 [0,2,0,0,0,0|1,0,1]=4 16082 B13R0.1170 COC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000187943 [0,2,0,0,0,0|1,0,1]=4 16083 B13R0.1170 COC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000187943 [0,2,0,0,0,0|1,0,1]=4 16084 B13R0.1170 COC(=O)CCC(=O)NCCCSC 527a_100000749238_100000187943 [0,2,0,0,0,0|1,0,1]=4 16085 B13R0.1170 COC(=O)CCN(C)CCCCC#N 269982a_100025711912_100011219923 [0,2,0,0,0,0|1,0,1]=4 16086 B13R0.1170 COC(=O)CCN(C)CCCCC=O 269982a_100025711912_100000139335 [0,2,0,0,0,0|1,0,1]=4 16087 B13R0.1170 COC(=O)CCN(C)CCCCCF 269982a_100025711912_100000729378 [0,2,0,0,0,0|1,0,0]=3 16088 B13R0.1170 COC(=O)CCN(C)CCCCCO 2230a_100000722520_100000204255 [0,2,0,0,0,0|1,0,0]=3 16089 B13R0.1170 COC(=O)CCN(C)CCCCCO 269982a_100000722520_100000204255 [0,2,0,0,0,0|1,0,0]=3 16090 B13R0.1170 COC(=O)CCN(C)CCCCCO 269982a_100025711912_100000746330 [0,2,0,0,0,0|1,0,0]=3 16091 B13R0.1170 COC(=O)CCN(C)CCOCCO 2230a_100000228057_100000204255 [0,2,0,0,0,0|2,0,0]=4 16092 B13R0.1170 COC(=O)CCN(C)CCOCCO 269982a_100000228057_100000204255 [0,2,0,0,0,0|2,0,0]=4 16093 B13R0.1170 COC(=O)CCN(C)CCOCCO 269982a_100025711912_100011215305 [0,2,0,0,0,0|2,0,0]=4 16094 B13R0.1170 COC(=O)CNC(=O)CCCCCO 188690a_100000185156_100102619762 [0,2,0,0,0,0|1,0,1]=4 16095 B13R0.1170 COC(=O)NCC(=O)CCCCCF 1458a_100000215747_100000729378 [0,2,0,0,0,0|1,0,1]=4 16096 B13R0.1170 COC(=O)NCC(=O)CCCCCO 1458a_100000215747_100000746330 [0,2,0,0,0,0|1,0,1]=4 16097 B13R0.1170 COCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000755781 [0,2,0,0,0,0|0,0,1]=3 16098 B13R0.1170 COCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000755781 [0,2,0,0,0,0|1,0,1]=4 16099 B13R0.1170 COCCCCN(C)CCC(=O)OC 269982a_100025711912_100000730899 [0,2,0,0,0,0|1,0,0]=3 16100 B13R0.1170 COCCCNC(=O)CCC(=O)OC 1626a_100150723488_100000187943 [0,2,0,0,0,0|1,0,1]=4 16101 B13R0.1170 COCCCNC(=O)CCC(=O)OC 240690a_100150723488_100000187943 [0,2,0,0,0,0|1,0,1]=4 16102 B13R0.1170 COCCCNC(=O)CCC(=O)OC 527a_100150723488_100000187943 [0,2,0,0,0,0|1,0,1]=4 16103 B13R0.1170 COCCNCC(=O)CCC(=O)OC 2230a_100000209980_100000691467 [0,2,0,0,0,0|1,0,1]=4 16104 B13R0.1170 COCCOCC(=O)CCC(=O)OC 34a_100000210237_100000691467 [0,2,0,0,0,0|1,0,1]=4 16105 B13R0.1170 COCCOCN(C)CCC(=O)OC 269982a_100025711912_100000231047 [0,2,0,0,0,0|2,0,0]=4 16106 B13R0.1170 COCCSCC(=O)CCC(=O)OC 62a_100000233755_100000691467 [0,2,0,0,0,0|1,0,1]=4 16107 B13R0.1170 COCCSCC(=O)CCC(=O)OC 62a_100000691467_100000233755 [0,2,0,0,0,0|1,0,1]=4 16108 B13R0.1256 CCCCNS(=O)(=O)CCC(=O)OC 270084a_100000102301_100000205946 [0,2,0,0,0,0|2,0,0]=4 16109 B13R0.1256 CCCCNS(=O)(=O)CCC(=O)OC 274078a_100000102301_100000205946 [0,2,0,0,0,0|2,0,0]=4 16110 B13R0.1521 CCCC(=O)CC(=O)CCC(=O)OC 1458a_100000187943_100000747444 [0,2,0,0,0,0|0,0,2]=4 16111 B13R0.1521 CCCC(=O)CC(=O)CCC(=O)OC 1458a_100000211992_100000691467 [0,2,0,0,0,0|0,0,2]=4 16112 B13R0.1521 CCCC(=O)CN(C)CCC(=O)OC 269982a_100025711912_100000747444 [0,2,0,0,0,0|1,0,1]=4 16113 B13R0.1521 CCCC(C)CC(=O)CCC(=O)NC 1458a_100011309844_100011216630 [0,2,0,0,0,0|1,0,1]=4 16114 B13R0.1521 CCCC(C)CC(=O)CCC(=O)OC 1458a_100000187943_100011216630 [0,2,0,0,0,0|0,0,1]=3 16115 B13R0.1521 CCCC(C)CC(=O)CNC(=O)OC 1458a_100000215747_100011216630 [0,2,0,0,0,0|1,0,1]=4 16116 B13R0.1521 CCCC(C)CC(=O)NCC(=O)OC 188690a_100000185156_100000748435 [0,2,0,0,0,0|1,0,1]=4 16117 B13R0.1521 CCCC(C)CN(C)CCC(=O)NC 2230a_100000750875_100011216630 [0,2,0,0,0,0|2,0,0]=4 16118 B13R0.1521 CCCC(C)CN(C)CCC(=O)NC 269982a_100000750875_100011216630 [0,2,0,0,0,0|2,0,0]=4 16119 B13R0.1521 CCCC(C)CN(C)CCC(=O)NC 270004a_100000750875_100000243154 [0,2,0,0,0,0|2,0,0]=4 16120 B13R0.1521 CCCC(C)CN(C)CCC(=O)OC 269982a_100025711912_100011216630 [0,2,0,0,0,0|1,0,0]=3 16121 B13R0.1521 CCCC(C)NC(=O)CCC(=O)OC 11a_100000741246_100000187943 [0,2,0,0,0,0|1,0,1]=4 16122 B13R0.1521 CCCC(C)NC(=O)CCC(=O)OC 1626a_100000741246_100000187943 [0,2,0,0,0,0|1,0,1]=4 16123 B13R0.1521 CCCC(C)NC(=O)CCC(=O)OC 240690a_100000741246_100000187943 [0,2,0,0,0,0|1,0,1]=4 16124 B13R0.1521 CCCC(C)NC(=O)CCC(=O)OC 527a_100000741246_100000187943 [0,2,0,0,0,0|1,0,1]=4 16125 B13R0.1521 CCCN(C)CC(=O)CCC(=O)OC 2230a_100000747261_100000691467 [0,2,0,0,0,0|1,0,1]=4 16126 B13R0.1521 CCCN(C)CC(=O)CCC(=O)OC 269982a_100000747261_100000691467 [0,2,0,0,0,0|1,0,1]=4 16127 B13R0.1521 COCC(O)CN(C)CCC(=O)OC 2230a_100000739405_100000204255 [0,2,0,0,0,0|2,0,0]=4 16128 B13R0.1521 COCC(O)CN(C)CCC(=O)OC 269982a_100000739405_100000204255 [0,2,0,0,0,0|2,0,0]=4 16129 B13R0.204 C=C(C)C(=O)CCCCCC(=O)OC 1458a_100000185857_100009816466 [0,2,0,0,0,0|0,0,2]=4 16130 B13R0.204 CCC(C)CCCOCC(=O)C(C)C 7a_100011216074_100000753385 [0,2,0,0,0,0|2,0,0]=4 16131 B13R0.204 CCC(C)CCCOCC(=O)N(C)C 7a_100011216074_100000692301 [0,2,0,0,0,0|2,0,0]=4 16132 B13R0.204 CCC(C)CCNCCC(=O)N(C)C 2230a_100020591266_100000737620 [0,2,0,0,0,0|2,0,0]=4 16133 B13R0.204 CCC(C)CCOCCC(=O)N(C)C 7a_100011215188_100000737620 [0,2,0,0,0,0|2,0,0]=4 16134 B13R0.204 CCC(C)CNCCCC(=O)N(C)C 2230a_100020588543_100000737642 [0,2,0,0,0,0|2,0,0]=4 16135 B13R0.204 CCC(C)CNCCCC(=O)N(C)C 2230a_200000744827_100000748023 [0,2,0,0,0,0|2,0,0]=4 16136 B13R0.204 CCC(C)CNCCCC(=O)N(C)C 270004a_200000744827_100000243153 [0,2,0,0,0,0|2,0,0]=4 16137 B13R0.204 CCC(C)CSCCCC(=O)N(C)C 62a_100000737642_100000748023 [0,2,0,0,0,0|2,0,0]=4 16138 B13R0.204 CCC(C)CSCCCC(=O)N(C)C 62a_100000748023_100000737642 [0,2,0,0,0,0|2,0,0]=4 16139 B13R0.204 CCC(C)OCCCCC(=O)N(C)C 7a_100000210228_100000752486 [0,2,0,0,0,0|2,0,0]=4 16140 B13R0.204 CCC(C)SCCCCC(=O)N(C)C 62a_100000752486_100000758301 [0,2,0,0,0,0|2,0,0]=4 16141 B13R0.204 CCC(C)SCCCCC(=O)N(C)C 62a_100000758301_100000752486 [0,2,0,0,0,0|2,0,0]=4 16142 B13R0.204 CCC(O)CNCCCC(=O)N(C)C 2230a_100011218483_100000737642 [0,2,0,0,0,0|2,0,0]=4 16143 B13R0.204 CCC(O)CNCCCC(=O)N(C)C 2230a_200000744827_100011218378 [0,2,0,0,0,0|2,0,0]=4 16144 B13R0.204 CCC(O)CSCCCC(=O)N(C)C 62a_100000737642_100011218378 [0,2,0,0,0,0|2,0,0]=4 16145 B13R0.204 CCC(O)CSCCCC(=O)N(C)C 62a_100011218378_100000737642 [0,2,0,0,0,0|2,0,0]=4 16146 B13R0.204 CC[C@H](C)CNCCCC(=O)N(C)C 2230a_200000744827_100009816398 [0,2,0,0,0,0|2,0,0]=4 16147 B13R0.204 CC[C@H](C)COCCCC(=O)N(C)C 7a_100009816381_100000737642 [0,2,0,0,0,0|2,0,0]=4 16148 B13R0.204 CC[C@H](C)CSCCCC(=O)N(C)C 62a_100000737642_100009816398 [0,2,0,0,0,0|2,0,0]=4 16149 B13R0.204 CC[C@H](C)CSCCCC(=O)N(C)C 62a_100009816398_100000737642 [0,2,0,0,0,0|2,0,0]=4 16150 B13R0.204 CNC(=O)CCCNCC(O)C(C)C 2230a_100000759067_100000741757 [0,2,0,0,0,0|2,0,0]=4 16151 B13R0.204 CNC(=O)CCCNCC(O)C(C)C 34a_100000759067_100000741757 [0,2,0,0,0,0|2,0,0]=4 16152 B13R0.204 CNC(=O)CCCOC[C@H](N)C(C)C 34a_100011830312_100000741757 [0,2,0,0,0,0|2,0,0]=4 16153 B13R0.204 CNC(=O)CCOCCC(N)C(C)C 34a_100161115045_100012179268 [0,2,0,0,0,0|2,0,0]=4 16154 B13R0.204 COC(=O)CCCCCC(=O)C(C)C 1458a_100000210198_100009816466 [0,2,0,0,0,0|0,0,1]=3 16155 B13R0.204 COC(=O)CCCCCC(=O)C(C)C 1458a_100009848860_100000210206 [0,2,0,0,0,0|0,0,1]=3 16156 B13R0.204 COC(=O)CCCCCC(=O)C(C)F 1458a_100000062450_100009816466 [0,2,0,0,0,0|0,0,1]=3 16157 B13R0.204 COC(=O)CCCCCC(=O)C(O)O 1458a_100000233687_100009816466 [0,2,0,0,0,0|1,0,1]=4 16158 B13R0.204 COC(=O)CCCCCC(=O)N(C)C 11a_100102631434_100009848860 [0,2,0,0,0,0|1,0,1]=4 16159 B13R0.204 COC(=O)CCCCCC(=O)N(C)C 1626a_100102631434_100009848860 [0,2,0,0,0,0|1,0,1]=4 16160 B13R0.204 COC(=O)CCCCCC(=O)N(C)C 240690a_100102631434_100009848860 [0,2,0,0,0,0|1,0,1]=4 16161 B13R0.204 COC(=O)CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009816466 [0,2,0,0,0,0|0,0,1]=3 16162 B13R0.204 COC(=O)CCCCCC(=O)[C@H](C)O 1458a_217856618621_100009816466 [0,2,0,0,0,0|0,0,1]=3 16163 B13R0.204 COC(=O)CCCCCN(C)C(C)C 269982a_200000211004_100009816466 [0,2,0,0,0,0|1,0,0]=3 16164 B13R0.204 COC(=O)CCCCNC(=O)C(C)C 188690a_100000746077_100000210198 [0,2,0,0,0,0|1,0,1]=4 16165 B13R0.204 COC(=O)CCCCNC(=O)C(C)F 188690a_100000746077_100000062450 [0,2,0,0,0,0|1,0,1]=4 16166 B13R0.204 COC(=O)CCCCNC(=O)[C@@H](C)O 188690a_100000746077_100000717761 [0,2,0,0,0,0|1,0,1]=4 16167 B13R0.204 COC(=O)CCCCNC(=O)[C@H](C)O 188690a_100000746077_217856618621 [0,2,0,0,0,0|1,0,1]=4 16168 B13R0.204 COC(=O)CCCCNC(C)C(C)C 2230a_100000211541_100000204269 [0,2,0,0,0,0|1,0,0]=3 16169 B13R0.204 COC(=O)CCCCOC(C)C(=O)C 34a_100000212229_100000204269 [0,2,0,0,0,0|1,0,1]=4 16170 B13R0.204 COC(=O)CCCCOC(C)C(=O)C 7a_100000059025_100000179758 [0,2,0,0,0,0|1,0,1]=4 16171 B13R0.204 COC(=O)CCCCOC(C)C(C)C 7a_100000748068_100000204269 [0,2,0,0,0,0|1,0,0]=3 16172 B13R0.204 COC(=O)CCCCSC(C)C(=O)C 62a_100000204269_100009814033 [0,2,0,0,0,0|1,0,1]=4 16173 B13R0.204 COC(=O)CCCCSC(C)C(=O)C 62a_100009814033_100000204269 [0,2,0,0,0,0|1,0,1]=4 16174 B13R0.204 COC(=O)CCCNCC(O)C(C)C 2230a_100000759067_100011218270 [0,2,0,0,0,0|1,0,0]=3 16175 B13R0.204 COC(=O)CCCNCC(O)C(C)C 34a_100000759067_100000742333 [0,2,0,0,0,0|1,0,0]=3 16176 B13R0.204 COC(=O)CCCOCC(C)C(=O)C 34a_100000032740_100000742333 [0,2,0,0,0,0|1,0,1]=4 16177 B13R0.204 COC(=O)CCCOCC(C)C(=O)C 7a_100000032740_100011218270 [0,2,0,0,0,0|1,0,1]=4 16178 B13R0.204 COC(=O)CCCOC[C@H](N)C(C)C 34a_100011830312_100000742333 [0,2,0,0,0,0|1,0,0]=3 16179 B13R0.204 COC(=O)CCCSCC(=O)C(C)C 62a_100000753385_100011218270 [0,2,0,0,0,0|1,0,1]=4 16180 B13R0.204 COC(=O)CCCSCC(=O)C(C)C 62a_100011218270_100000753385 [0,2,0,0,0,0|1,0,1]=4 16181 B13R0.204 COC(=O)CCOCCC(N)C(C)C 34a_100161115045_100000742370 [0,2,0,0,0,0|1,0,0]=3 16182 B13R0.204 COC(=O)COCCNC(C)C(C)C 2230a_100000211541_100000090808 [0,2,0,0,0,0|2,0,0]=4 16183 B13R0.204 COC(=O)COCCOC(C)C(C)C 7a_100000748068_100000090808 [0,2,0,0,0,0|2,0,0]=4 16184 B13R0.952 CCC(C)(C)COCCCC(=O)NC 7a_100000765029_100000741757 [0,2,0,0,0,0|2,0,0]=4 16185 B13R0.952 CCC(C)(C)COCCCC(=O)OC 7a_100000765029_100011218270 [0,2,0,0,0,0|1,0,0]=3 16186 B13R0.952 CCC(C)(C)NCCCCC(=O)OC 2230a_100000211385_100000204269 [0,2,0,0,0,0|1,0,0]=3 16187 B13R0.952 CCC(C)(C)NCCOCC(=O)OC 2230a_100000211385_100000090808 [0,2,0,0,0,0|2,0,0]=4 16188 B13R0.952 CCC(C)(C)OCCCCC(=O)OC 7a_100000059025_100000210677 [0,2,0,0,0,0|1,0,0]=3 16189 B13R0.952 CCC(C)(C)OCCCCC(=O)OC 7a_100000210230_100000204269 [0,2,0,0,0,0|1,0,0]=3 16190 B13R0.952 CCC(C)(C)OCCOCC(=O)OC 7a_100000210230_100000090808 [0,2,0,0,0,0|2,0,0]=4 16191 B13R0.952 CCC(C)(C)SCCCCC(=O)OC 62a_100000032637_100000204269 [0,2,0,0,0,0|1,0,0]=3 16192 B13R0.952 CCC(C)(C)SCCCCC(=O)OC 62a_100000204269_100000032637 [0,2,0,0,0,0|1,0,0]=3 16193 B13R0.952 CCC(C)(C)SCCOCC(=O)OC 62a_100000032637_100000090808 [0,2,0,0,0,0|2,0,0]=4 16194 B13R0.952 CCC(C)(C)SCCOCC(=O)OC 62a_100000090808_100000032637 [0,2,0,0,0,0|2,0,0]=4 16195 B13R0.952 CCS(=O)(=O)CCNCCC(=O)OC 2230a_100000751051_100000204255 [0,2,0,0,0,0|2,0,0]=4 16196 B13R0.952 CCS(=O)(=O)CCNCCC(=O)OC 34a_100000751051_100000742370 [0,2,0,0,0,0|2,0,0]=4 16197 B13R0.952 CCS(=O)(=O)CCOCCC(=O)OC 34a_200011216379_100000742370 [0,2,0,0,0,0|2,0,0]=4 16198 B13R0.952 CCS(=O)(=O)CCOCCC(=O)OC 7a_200011216379_100000204255 [0,2,0,0,0,0|2,0,0]=4 16199 B13R0.952 CCS(=O)(=O)CCSCCC(=O)OC 62a_100000204255_100000756660 [0,2,0,0,0,0|2,0,0]=4 16200 B13R0.952 CCS(=O)(=O)CCSCCC(=O)OC 62a_100000756660_100000204255 [0,2,0,0,0,0|2,0,0]=4 16201 B13R0.952 COC(=O)CCCCNC(C)(C)CO 2230a_100000210608_100000204269 [0,2,0,0,0,0|2,0,0]=4 16202 B13R0.952 COC(=O)CCCCOC(C)(C)CCl 7a_100000764493_100000204269 [0,2,0,0,0,0|2,0,0]=4 16203 B13R0.952 COC(=O)CCCCSC(F)(F)CO 62a_100000204269_100011217949 [0,2,0,0,0,0|2,0,0]=4 16204 B13R0.952 COC(=O)CCCCSC(F)(F)CO 62a_100011217949_100000204269 [0,2,0,0,0,0|2,0,0]=4 16205 B13R0.952 COC(=O)CCCNCC(C)(C)CO 2230a_100020635058_100011218270 [0,2,0,0,0,0|2,0,0]=4 16206 B13R0.952 COC(=O)CCCNCC(C)(C)OC 2230a_100000763424_100011218270 [0,2,0,0,0,0|2,0,0]=4 16207 B13R0.952 COC(=O)CCCOCC(C)(C)CCl 7a_100011217199_100011218270 [0,2,0,0,0,0|2,0,0]=4 16208 B13R0.952 COC(=O)CCCOCC(F)(F)CN 34a_100000703232_100000742333 [0,2,0,0,0,0|2,0,0]=4 16209 B13R0.952 COC(=O)CCCSCC(C)(C)CO 62a_100009813988_100011218270 [0,2,0,0,0,0|2,0,0]=4 16210 B13R0.952 COC(=O)CCCSCC(C)(C)CO 62a_100011218270_100009813988 [0,2,0,0,0,0|2,0,0]=4 16211 B13R0.952 COC(=O)CCCSCC(C)(C)OC 62a_100000701081_100011218270 [0,2,0,0,0,0|2,0,0]=4 16212 B13R0.952 COC(=O)CCCSCC(C)(C)OC 62a_100011218270_100000701081 [0,2,0,0,0,0|2,0,0]=4 16213 B13R0.952 COC(=O)CCOCCC(C)(C)OC 7a_100000699976_100000204255 [0,2,0,0,0,0|2,0,0]=4 16214 B13R0.952 COC(=O)CNCCCC(C)(C)CO 2230a_100000039164_100000747449 [0,2,0,0,0,0|2,0,0]=4 16215 B13R0.180 C=C(C)C(=O)NCCCCCC(C)C 1626a_100011290863_100000185857 [0,2,0,0,0,0|2,0,0]=4 16216 B13R0.180 CC(=O)C(=O)COCCCCC(C)C 34a_100011214890_100011261029 [0,2,0,0,0,0|2,0,0]=4 16217 B13R0.180 CC(=O)C(=O)CSCCCCC(C)C 62a_100011216152_100011261029 [0,2,0,0,0,0|2,0,0]=4 16218 B13R0.180 CC(=O)C(=O)CSCCCCC(C)C 62a_100011261029_100011216152 [0,2,0,0,0,0|2,0,0]=4 16219 B13R0.180 CC(Br)COCCCCC(=O)N(C)C 34a_100012180447_100000752486 [0,2,0,0,0,0|2,0,0]=4 16220 B13R0.180 CC(C)CCCCCCC(=O)C(C)C 1458a_100000040743_100000210206 [0,2,0,0,0,0|1,0,0]=3 16221 B13R0.180 CC(C)CCCCCCC(=O)N(C)C 11a_100102631434_100000040743 [0,2,0,0,0,0|1,0,0]=3 16222 B13R0.180 CC(C)CCCCCCC(=O)N(C)C 1626a_100102631434_100000040743 [0,2,0,0,0,0|1,0,0]=3 16223 B13R0.180 CC(C)CCCCCCC(=O)N(C)C 240690a_100102631434_100000040743 [0,2,0,0,0,0|1,0,0]=3 16224 B13R0.180 CC(C)CCCCCCC(=O)N(C)C 527a_100102631434_100000040743 [0,2,0,0,0,0|1,0,0]=3 16225 B13R0.180 CC(C)CCCCCNC(=O)C(C)C 1626a_100011290863_100000210198 [0,2,0,0,0,0|2,0,0]=4 16226 B13R0.180 CC(C)CCCCCNC(=O)C(C)C 240690a_100011290863_100000210198 [0,2,0,0,0,0|2,0,0]=4 16227 B13R0.180 CC(C)CCCCCNC(=O)C(C)C 527a_100011290863_100000210198 [0,2,0,0,0,0|2,0,0]=4 16228 B13R0.180 CC(C)CCCCCNC(=O)C(C)F 1626a_100011290863_100000062450 [0,2,0,0,0,0|2,0,0]=4 16229 B13R0.180 CC(C)CCCCCNC(=O)C(C)F 240690a_100011290863_100000062450 [0,2,0,0,0,0|2,0,0]=4 16230 B13R0.180 CC(C)CCCCCNC(=O)C(C)F 527a_100011290863_100000062450 [0,2,0,0,0,0|2,0,0]=4 16231 B13R0.180 CC(C)CCCCCNC(=O)N(C)C 2708a_100011290863_100102631434 [0,2,0,0,0,0|2,0,0]=4 16232 B13R0.180 CC(C)CCCCCNC(=O)[C@@H](C)O 240690a_100011290863_100000717761 [0,2,0,0,0,0|2,0,0]=4 16233 B13R0.180 CC(C)CCCCCNC(=O)[C@H](C)O 1626a_100011290863_217856618621 [0,2,0,0,0,0|2,0,0]=4 16234 B13R0.180 CC(C)CCCCCNC(=O)[C@H](C)O 240690a_100011290863_217856618621 [0,2,0,0,0,0|2,0,0]=4 16235 B13R0.180 CC(C)CCCCNCC(=O)N(C)C 2230a_100015183351_100011216152 [0,2,0,0,0,0|2,0,0]=4 16236 B13R0.180 CC(C)CCCCOCC(=O)C(C)C 34a_100011214890_100000753385 [0,2,0,0,0,0|2,0,0]=4 16237 B13R0.180 CC(C)CCCCOCC(=O)C(C)C 7a_100011214890_100000753385 [0,2,0,0,0,0|2,0,0]=4 16238 B13R0.180 CC(C)CCCCOCC(=O)N(C)C 34a_100011214890_100000692301 [0,2,0,0,0,0|2,0,0]=4 16239 B13R0.180 CC(C)CCCCOCC(=O)N(C)C 7a_100011214890_100000692301 [0,2,0,0,0,0|2,0,0]=4 16240 B13R0.180 CC(C)CCCCSCC(=O)C(C)C 62a_100000753385_100011216152 [0,2,0,0,0,0|2,0,0]=4 16241 B13R0.180 CC(C)CCCCSCC(=O)C(C)C 62a_100011216152_100000753385 [0,2,0,0,0,0|2,0,0]=4 16242 B13R0.180 CC(C)CCCCSCC(=O)N(C)C 62a_100000692301_100011216152 [0,2,0,0,0,0|2,0,0]=4 16243 B13R0.180 CC(C)CCCCSCC(=O)N(C)C 62a_100011216152_100000692301 [0,2,0,0,0,0|2,0,0]=4 16244 B13R0.180 CC(C)CCCNCCC(=O)N(C)C 2230a_100000738053_100011214892 [0,2,0,0,0,0|2,0,0]=4 16245 B13R0.180 CC(C)CCCNCCC(=O)N(C)C 2230a_200000737386_100000737620 [0,2,0,0,0,0|2,0,0]=4 16246 B13R0.180 CC(C)CCCOCCC(=O)N(C)C 34a_200000747469_100011214892 [0,2,0,0,0,0|2,0,0]=4 16247 B13R0.180 CC(C)CCCOCCC(=O)N(C)C 7a_100000210774_100000737620 [0,2,0,0,0,0|2,0,0]=4 16248 B13R0.180 CC(C)CCCSCCC(=O)N(C)C 62a_100000737620_100011214892 [0,2,0,0,0,0|2,0,0]=4 16249 B13R0.180 CC(C)CCCSCCC(=O)N(C)C 62a_100011214892_100000737620 [0,2,0,0,0,0|2,0,0]=4 16250 B13R0.180 CC(C)CCNCCCC(=O)N(C)C 2230a_200000744827_100000210312 [0,2,0,0,0,0|2,0,0]=4 16251 B13R0.180 CC(C)CCNCCCC(=O)N(C)C 269862a_200000744827_100000185833 [0,2,0,0,0,0|2,0,0]=4 16252 B13R0.180 CC(C)CCOCCCC(=O)N(C)C 7a_100000210254_100000737642 [0,2,0,0,0,0|2,0,0]=4 16253 B13R0.180 CC(C)CCSCCCC(=O)N(C)C 62a_100000210312_100000737642 [0,2,0,0,0,0|2,0,0]=4 16254 B13R0.180 CC(C)CCSCCCC(=O)N(C)C 62a_100000737642_100000210312 [0,2,0,0,0,0|2,0,0]=4 16255 B13R0.180 CC(C)CNCCCCC(=O)N(C)C 34a_100000210953_100000752486 [0,2,0,0,0,0|2,0,0]=4 16256 B13R0.180 CC(C)COCCCCC(=O)N(C)C 34a_100000210257_100000752486 [0,2,0,0,0,0|2,0,0]=4 16257 B13R0.180 CC(C)CSCCCCC(=O)N(C)C 62a_100000210624_100000752486 [0,2,0,0,0,0|2,0,0]=4 16258 B13R0.180 CC(C)CSCCCCC(=O)N(C)C 62a_100000752486_100000210760 [0,2,0,0,0,0|2,0,0]=4 16259 B13R0.180 CC(F)COCCCCC(=O)N(C)C 34a_100015925927_100000752486 [0,2,0,0,0,0|2,0,0]=4 16260 B13R0.180 CC(O)CCCNCCC(=O)N(C)C 2230a_100000738053_200000718107 [0,2,0,0,0,0|2,0,0]=4 16261 B13R0.180 CC(O)CCCOCCC(=O)N(C)C 34a_200000747469_200000718107 [0,2,0,0,0,0|2,0,0]=4 16262 B13R0.180 CC(O)CCCSCCC(=O)N(C)C 62a_100000737620_200000718107 [0,2,0,0,0,0|2,0,0]=4 16263 B13R0.180 CC(O)CCCSCCC(=O)N(C)C 62a_200000718107_100000737620 [0,2,0,0,0,0|2,0,0]=4 16264 B13R0.180 CC(O)CCNCCCC(=O)N(C)C 2230a_200000744827_100012276601 [0,2,0,0,0,0|2,0,0]=4 16265 B13R0.180 CC(O)CCNCCCC(=O)N(C)C 2230a_200000755665_100000737642 [0,2,0,0,0,0|2,0,0]=4 16266 B13R0.180 CC(O)CCSCCCC(=O)N(C)C 62a_100000737642_100012276601 [0,2,0,0,0,0|2,0,0]=4 16267 B13R0.180 CC(O)CCSCCCC(=O)N(C)C 62a_100012276601_100000737642 [0,2,0,0,0,0|2,0,0]=4 16268 B13R0.180 CC(O)CNCCCCC(=O)N(C)C 34a_100000210904_100000752486 [0,2,0,0,0,0|2,0,0]=4 16269 B13R0.180 CC(O)CSCCCCC(=O)N(C)C 62a_100000752486_100011218427 [0,2,0,0,0,0|2,0,0]=4 16270 B13R0.180 CC(O)CSCCCCC(=O)N(C)C 62a_100011218427_100000752486 [0,2,0,0,0,0|2,0,0]=4 16271 B13R0.180 C[C@@H](Cl)COCCCCC(=O)N(C)C 34a_100016084084_100000752486 [0,2,0,0,0,0|2,0,0]=4 16272 B13R0.180 C[C@@H](N)COCCCCC(=O)N(C)C 34a_100000737577_100000752486 [0,2,0,0,0,0|2,0,0]=4 16273 B13R0.180 C[C@@H](O)CSCCCCC(=O)N(C)C 62a_100000752486_100009817552 [0,2,0,0,0,0|2,0,0]=4 16274 B13R0.180 C[C@@H](O)CSCCCCC(=O)N(C)C 62a_100009817552_100000752486 [0,2,0,0,0,0|2,0,0]=4 16275 B13R0.198 C=C(C)CC(=O)CCCCC(=O)OC 1458a_100000695723_100000748629 [0,2,0,0,0,0|0,0,2]=4 16276 B13R0.198 C=C(C)CN(C)CCCCC(=O)OC 2230a_100000225649_100000204269 [0,2,0,0,0,0|1,0,1]=4 16277 B13R0.198 C=C(C)CN(C)CCCCC(=O)OC 269982a_100000225649_100000204269 [0,2,0,0,0,0|1,0,1]=4 16278 B13R0.198 CNC(=O)CCCNC(C)CC(C)C 2230a_100000692259_100000741757 [0,2,0,0,0,0|2,0,0]=4 16279 B13R0.198 CNC(=O)CCCNC(C)CC(C)C 2230a_100000740002_100000731052 [0,2,0,0,0,0|2,0,0]=4 16280 B13R0.198 CNC(=O)CCCNC(C)CC(C)C 34a_100000740002_100000731052 [0,2,0,0,0,0|2,0,0]=4 16281 B13R0.198 CNC(=O)CCCOC(C)CC(C)C 34a_100000211805_100000741757 [0,2,0,0,0,0|2,0,0]=4 16282 B13R0.198 CNC(=O)CCCOC(C)CC(C)C 7a_100000211805_100000741757 [0,2,0,0,0,0|2,0,0]=4 16283 B13R0.198 CNC(=O)CCCSC(C)CC(C)C 62a_100000731052_100000741757 [0,2,0,0,0,0|2,0,0]=4 16284 B13R0.198 CNC(=O)CCCSC(C)CC(C)C 62a_100000741757_100000731052 [0,2,0,0,0,0|2,0,0]=4 16285 B13R0.198 CNC(=O)CCOC[C@@H](N)CC(C)C 34a_100011830311_100012179268 [0,2,0,0,0,0|2,0,0]=4 16286 B13R0.198 CNC(=O)COCC[C@@H](N)CC(C)C 34a_100161151251_100000183359 [0,2,0,0,0,0|2,0,0]=4 16287 B13R0.198 COC(=O)CCCCC(=O)CC(C)C 1458a_100000210554_100000204269 [0,2,0,0,0,0|0,0,1]=3 16288 B13R0.198 COC(=O)CCCCC(=O)CC(C)C 1458a_100000695723_100000210624 [0,2,0,0,0,0|0,0,1]=3 16289 B13R0.198 COC(=O)CCCCC(=O)CC(C)O 1458a_100000695723_100011218427 [0,2,0,0,0,0|0,0,1]=3 16290 B13R0.198 COC(=O)CCCCC(=O)CC(F)F 1458a_100000695723_100011934356 [0,2,0,0,0,0|1,0,1]=4 16291 B13R0.198 COC(=O)CCCCC(=O)CN(C)C 1458a_100000750896_100000204269 [0,2,0,0,0,0|1,0,1]=4 16292 B13R0.198 COC(=O)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000204269 [0,2,0,0,0,0|0,0,1]=3 16293 B13R0.198 COC(=O)CCCCC(=O)C[S+](C)C 1458a_200159257847_100000204269 [0,2,0,0,0,0|1,0,1]=4 16294 B13R0.198 COC(=O)CCCCC(=O)NC(C)C 11a_100138425928_100000695723 [0,2,0,0,0,0|1,0,1]=4 16295 B13R0.198 COC(=O)CCCCC(=O)NC(C)C 1626a_100138425928_100000695723 [0,2,0,0,0,0|1,0,1]=4 16296 B13R0.198 COC(=O)CCCCC(=O)NC(C)C 240690a_100138425928_100000695723 [0,2,0,0,0,0|1,0,1]=4 16297 B13R0.198 COC(=O)CCCCC(=O)NC(C)C 527a_100138425928_100000695723 [0,2,0,0,0,0|1,0,1]=4 16298 B13R0.198 COC(=O)CCCCN(C)CC(C)C 2230a_100000747067_100000204269 [0,2,0,0,0,0|1,0,0]=3 16299 B13R0.198 COC(=O)CCCCN(C)CC(C)C 269982a_100000747067_100000204269 [0,2,0,0,0,0|1,0,0]=3 16300 B13R0.198 COC(=O)CCCCN(C)CC(C)O 2230a_100000227577_100000204269 [0,2,0,0,0,0|1,0,0]=3 16301 B13R0.198 COC(=O)CCCCN(C)CC(C)O 269982a_100000227577_100000204269 [0,2,0,0,0,0|1,0,0]=3 16302 B13R0.198 COC(=O)CCCNC(=O)CC(C)C 188690a_100000184769_100000210554 [0,2,0,0,0,0|1,0,1]=4 16303 B13R0.198 COC(=O)CCCNC(=O)C[C@@H](C)O 188690a_100000184769_100011933948 [0,2,0,0,0,0|1,0,1]=4 16304 B13R0.198 COC(=O)CCCNC(C)CC(C)C 2230a_100000692259_100011218270 [0,2,0,0,0,0|1,0,0]=3 16305 B13R0.198 COC(=O)CCCOC(C)CC(C)C 34a_100000211805_100000742333 [0,2,0,0,0,0|1,0,0]=3 16306 B13R0.198 COC(=O)CCCOC(C)CC(C)C 7a_100000211805_100011218270 [0,2,0,0,0,0|1,0,0]=3 16307 B13R0.198 COC(=O)CCCSC(C)CC(C)C 62a_100000731052_100011218270 [0,2,0,0,0,0|1,0,0]=3 16308 B13R0.198 COC(=O)CCCSC(C)CC(C)C 62a_100011218270_100000731052 [0,2,0,0,0,0|1,0,0]=3 16309 B13R0.198 COC(=O)CCCSC(C)CN(C)C 62a_100011218270_100020606517 [0,2,0,0,0,0|2,0,0]=4 16310 B13R0.198 COC(=O)CCCSC(C)CN(C)C 62a_100020606517_100011218270 [0,2,0,0,0,0|2,0,0]=4 16311 B13R0.198 COC(=O)CCOC[C@@H](N)CC(C)C 34a_100011830311_100000742370 [0,2,0,0,0,0|1,0,0]=3 16312 B13R0.198 COC(=O)CCSCC(C)CN(C)C 62a_100000204255_100015348159 [0,2,0,0,0,0|2,0,0]=4 16313 B13R0.198 COC(=O)CCSCC(C)CN(C)C 62a_100015348159_100000204255 [0,2,0,0,0,0|2,0,0]=4 16314 B13R0.198 COC(=O)COCCC(=O)CC(C)C 1458a_100000210554_100000090808 [0,2,0,0,0,0|1,0,1]=4 16315 B13R0.198 COC(=O)COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000090808 [0,2,0,0,0,0|1,0,1]=4 16316 B13R0.198 COC(=O)COCCN(C)CC(C)C 2230a_100000747067_100000090808 [0,2,0,0,0,0|2,0,0]=4 16317 B13R0.198 COC(=O)COCCN(C)CC(C)O 2230a_100000227577_100000090808 [0,2,0,0,0,0|2,0,0]=4 16318 B13R0.198 COC(=O)COCC[C@@H](N)CC(C)C 34a_100161151251_100000747449 [0,2,0,0,0,0|1,0,0]=3 16319 B13R0.198 COC(=O)NCCCC(=O)CC(C)C 1458a_100000753017_100000210624 [0,2,0,0,0,0|1,0,1]=4 16320 B13R0.198 COC(=O)NCCCC(=O)CC(C)O 1458a_100000753017_100011218427 [0,2,0,0,0,0|1,0,1]=4 16321 B13R0.198 COC(=O)NCCOC(C)CC(C)C 34a_100000757965_100000731052 [0,2,0,0,0,0|2,0,0]=4 16322 B13R0.198 COC(=O)OCCOC(C)CC(C)C 34a_100010262106_100000731052 [0,2,0,0,0,0|2,0,0]=4 16323 B13R0.201 C#CC(=O)CCCCCCC(=O)OC 1458a_100000211873_100009815986 [0,2,0,0,0,0|0,0,2]=4 16324 B13R0.201 C#CC(C)NCCCCCC(=O)OC 2230a_100000707721_100009816466 [0,2,0,0,0,0|1,0,0]=3 16325 B13R0.201 C#CC(C)NCCCCCC(=O)OC 34a_100000707721_100009816466 [0,2,0,0,0,0|1,0,0]=3 16326 B13R0.201 C#CC(C)OCCCCCC(=O)OC 34a_100000074720_200000035995 [0,2,0,0,0,0|1,0,0]=3 16327 B13R0.201 C#CC(C)SCCCCCC(=O)OC 62a_200000035995_100009816466 [0,2,0,0,0,0|1,0,0]=3 16328 B13R0.201 C#C[C@@H](C)OCCCCCC(=O)OC 34a_100009815206_100009816466 [0,2,0,0,0,0|1,0,0]=3 16329 B13R0.201 C#C[C@@H](C)OCCCCCC(=O)OC 7a_100009815206_100009816466 [0,2,0,0,0,0|1,0,0]=3 16330 B13R0.201 C=CC(=O)CCCCCCC(=O)OC 1458a_100000185746_100009815986 [0,2,0,0,0,0|0,0,2]=4 16331 B13R0.201 C=CC(C)COCCCCC(=O)OC 34a_100011215527_100000204269 [0,2,0,0,0,0|1,0,0]=3 16332 B13R0.201 C=CC(C)COCCCCC(=O)OC 7a_100011215527_100000204269 [0,2,0,0,0,0|1,0,0]=3 16333 B13R0.201 C=CC(C)COCCOCC(=O)OC 34a_100011215527_100000090808 [0,2,0,0,0,0|2,0,0]=4 16334 B13R0.201 C=CC(C)COCCOCC(=O)OC 7a_100011215527_100000090808 [0,2,0,0,0,0|2,0,0]=4 16335 B13R0.201 C=CC(C)OCCCCCC(=O)OC 34a_100000695699_100009816466 [0,2,0,0,0,0|1,0,0]=3 16336 B13R0.201 C=CC(C)SCCCCCC(=O)OC 62a_100011215867_100009816466 [0,2,0,0,0,0|1,0,0]=3 16337 B13R0.201 C=CC(O)COCCCCC(=O)OC 34a_100000059025_100000730141 [0,2,0,0,0,0|0,0,2]=4 16338 B13R0.201 C=CC(O)COCCCCC(=O)OC 7a_100000059025_100000730141 [0,2,0,0,0,0|0,0,2]=4 16339 B13R0.201 C=CC(O)CSCCCCC(=O)OC 62a_100000204269_100000730141 [0,2,0,0,0,0|0,0,2]=4 16340 B13R0.201 C=CC(O)CSCCCCC(=O)OC 62a_100000730141_100000204269 [0,2,0,0,0,0|0,0,2]=4 16341 B13R0.201 C=C[C@H](N)COCCCCC(=O)OC 34a_100016989147_100000204269 [0,2,0,0,0,0|0,0,2]=4 16342 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210202 [0,2,0,0,0,0|0,0,0]=2 16343 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000210414_100009815986 [0,2,0,0,0,0|0,0,0]=2 16344 B13R0.201 CCC(=O)COCCCCC(=O)OC 34a_100000725409_100000204269 [0,2,0,0,0,0|0,0,1]=3 16345 B13R0.201 CCC(=O)COCCCCC(=O)OC 7a_100000059025_100000747405 [0,2,0,0,0,0|0,0,1]=3 16346 B13R0.201 CCC(=O)COCCOCC(=O)OC 34a_100000725409_100000090808 [0,2,0,0,0,0|1,0,1]=4 16347 B13R0.201 CCC(=O)CSCCCCC(=O)OC 62a_100000204269_100000747405 [0,2,0,0,0,0|0,0,1]=3 16348 B13R0.201 CCC(=O)CSCCCCC(=O)OC 62a_100000747405_100000204269 [0,2,0,0,0,0|0,0,1]=3 16349 B13R0.201 CCC(=O)CSCCOCC(=O)OC 62a_100000090808_100000747405 [0,2,0,0,0,0|1,0,1]=4 16350 B13R0.201 CCC(=O)CSCCOCC(=O)OC 62a_100000747405_100000090808 [0,2,0,0,0,0|1,0,1]=4 16351 B13R0.201 CCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000210414 [0,2,0,0,0,0|0,0,1]=3 16352 B13R0.201 CCC(=O)NCCNCCC(=O)OC 34a_100132302217_100000742370 [0,2,0,0,0,0|1,0,1]=4 16353 B13R0.201 CCC(=O)NCCOCCC(=O)OC 188690a_100102954618_100000210414 [0,2,0,0,0,0|1,0,1]=4 16354 B13R0.201 CCC(=O)NCCOCCC(=O)OC 34a_200000158885_100000742370 [0,2,0,0,0,0|1,0,1]=4 16355 B13R0.201 CCC(=O)NCCOCCC(=O)OC 7a_200000158885_100000204255 [0,2,0,0,0,0|1,0,1]=4 16356 B13R0.201 CCC(=O)OCCOCCC(=O)OC 7a_200000031056_100000204255 [0,2,0,0,0,0|1,0,1]=4 16357 B13R0.201 CCC(C)CCCOCCC(=O)NC 7a_100011216074_100000737683 [0,2,0,0,0,0|1,0,0]=3 16358 B13R0.201 CCC(C)CCCOCCC(=O)OC 7a_100011216074_100000204255 [0,2,0,0,0,0|0,0,0]=2 16359 B13R0.201 CCC(C)CCNC/C=C/C(=O)OC 2230a_100020591266_100000742655 [0,2,0,0,0,0|0,0,2]=4 16360 B13R0.201 CCC(C)CCNCCCC(=O)NC 2230a_100020591266_100000741757 [0,2,0,0,0,0|1,0,0]=3 16361 B13R0.201 CCC(C)CCNCCCC(=O)OC 2230a_100020591266_100011218270 [0,2,0,0,0,0|0,0,0]=2 16362 B13R0.201 CCC(C)CCOC/C=C/C(=O)OC 7a_100011215188_100000742655 [0,2,0,0,0,0|0,0,2]=4 16363 B13R0.201 CCC(C)CCOCCCC(=O)NC 7a_100011215188_100000741757 [0,2,0,0,0,0|1,0,0]=3 16364 B13R0.201 CCC(C)CCOCCCC(=O)OC 7a_100011215188_100011218270 [0,2,0,0,0,0|0,0,0]=2 16365 B13R0.201 CCC(C)CCOCCOC(=O)NC 7a_100011215188_200011997002 [0,2,0,0,0,0|2,0,0]=4 16366 B13R0.201 CCC(C)CNCCCCC(=O)OC 2230a_100020588543_100000204269 [0,2,0,0,0,0|0,0,0]=2 16367 B13R0.201 CCC(C)CNCCOCC(=O)OC 2230a_100020588543_100000090808 [0,2,0,0,0,0|1,0,0]=3 16368 B13R0.201 CCC(C)COCCCCC(=O)OC 34a_100000059025_100000748023 [0,2,0,0,0,0|0,0,0]=2 16369 B13R0.201 CCC(C)COCCCCC(=O)OC 7a_100000059025_100000748023 [0,2,0,0,0,0|0,0,0]=2 16370 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000204269_100000748023 [0,2,0,0,0,0|0,0,0]=2 16371 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000748023_100000204269 [0,2,0,0,0,0|0,0,0]=2 16372 B13R0.201 CCC(C)CSCCOCC(=O)OC 62a_100000090808_100000748023 [0,2,0,0,0,0|1,0,0]=3 16373 B13R0.201 CCC(C)CSCCOCC(=O)OC 62a_100000748023_100000090808 [0,2,0,0,0,0|1,0,0]=3 16374 B13R0.201 CCC(C)NCCCCCC(=O)OC 2230a_100000209981_100009816466 [0,2,0,0,0,0|0,0,0]=2 16375 B13R0.201 CCC(C)NN=CCCCC(=O)OC 4a_100000718999_100000094087 [0,2,0,0,0,0|1,0,1]=4 16376 B13R0.201 CCC(C)OCCCCCC(=O)OC 34a_100000074720_100011215416 [0,2,0,0,0,0|0,0,0]=2 16377 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000074720_100000758301 [0,2,0,0,0,0|0,0,0]=2 16378 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000210228_100009816466 [0,2,0,0,0,0|0,0,0]=2 16379 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100000758301_100009816466 [0,2,0,0,0,0|0,0,0]=2 16380 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100009816466_100000758301 [0,2,0,0,0,0|0,0,0]=2 16381 B13R0.201 CCC(O)CNCCCCC(=O)OC 2230a_100011218483_100000204269 [0,2,0,0,0,0|0,0,0]=2 16382 B13R0.201 CCC(O)CNCCOCC(=O)OC 2230a_100011218483_100000090808 [0,2,0,0,0,0|1,0,0]=3 16383 B13R0.201 CCC(O)CNN=CCCC(=O)OC 4a_100015206393_100012047195 [0,2,0,0,0,0|1,0,1]=4 16384 B13R0.201 CCC(O)COCCCCC(=O)OC 34a_100000059025_100011218378 [0,2,0,0,0,0|0,0,0]=2 16385 B13R0.201 CCC(O)COCCCCC(=O)OC 7a_100000059025_100011218378 [0,2,0,0,0,0|0,0,0]=2 16386 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100000204269_100011218378 [0,2,0,0,0,0|0,0,0]=2 16387 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100011218378_100000204269 [0,2,0,0,0,0|0,0,0]=2 16388 B13R0.201 CCC(O)CSCCOCC(=O)OC 62a_100000090808_100011218378 [0,2,0,0,0,0|1,0,0]=3 16389 B13R0.201 CCC(O)CSCCOCC(=O)OC 62a_100011218378_100000090808 [0,2,0,0,0,0|1,0,0]=3 16390 B13R0.201 CCN(C)CCCCCCC(=O)OC 2230a_100000225621_100009815986 [0,2,0,0,0,0|0,0,0]=2 16391 B13R0.201 CCN(C)CCCCCCC(=O)OC 269982a_100000225621_100009815986 [0,2,0,0,0,0|0,0,0]=2 16392 B13R0.201 CCN(C)CCCNCCC(=O)NC 2230a_100000738227_100015186262 [0,2,0,0,0,0|2,0,0]=4 16393 B13R0.201 CCN(C)CCCSCCC(=O)NC 62a_100000737683_100015186262 [0,2,0,0,0,0|2,0,0]=4 16394 B13R0.201 CCN(C)CCCSCCC(=O)OC 62a_100000204255_100015186262 [0,2,0,0,0,0|1,0,0]=3 16395 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 34a_100000059025_100009816398 [0,2,0,0,0,0|0,0,0]=2 16396 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100000059025_100009816398 [0,2,0,0,0,0|0,0,0]=2 16397 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100009816381_100000204269 [0,2,0,0,0,0|0,0,0]=2 16398 B13R0.201 CC[C@H](C)COCCOCC(=O)OC 7a_100009816381_100000090808 [0,2,0,0,0,0|1,0,0]=3 16399 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100000204269_100009816398 [0,2,0,0,0,0|0,0,0]=2 16400 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100009816398_100000204269 [0,2,0,0,0,0|0,0,0]=2 16401 B13R0.201 CC[C@H](C)CSCCOCC(=O)OC 62a_100000090808_100009816398 [0,2,0,0,0,0|1,0,0]=3 16402 B13R0.201 CC[C@H](C)CSCCOCC(=O)OC 62a_100009816398_100000090808 [0,2,0,0,0,0|1,0,0]=3 16403 B13R0.201 CNC(=O)CCCCCCC(=O)OC 11a_106832991635_100000036694 [0,2,0,0,0,0|0,0,1]=3 16404 B13R0.201 CNC(=O)CCCCCCC(=O)OC 1626a_100102657272_100000036694 [0,2,0,0,0,0|0,0,1]=3 16405 B13R0.201 CNC(=O)CCCCCCC(=O)OC 240690a_100102657272_100000036694 [0,2,0,0,0,0|0,0,1]=3 16406 B13R0.201 CNC(=O)CCCNCCC(=O)OC 2230a_100000740002_100000204255 [0,2,0,0,0,0|1,0,1]=4 16407 B13R0.201 CNC(=O)CCCNCCC(=O)OC 34a_100000740002_100000742370 [0,2,0,0,0,0|1,0,1]=4 16408 B13R0.201 CNC(=O)CCCNCCC(C)CO 2230a_106354213184_100000741757 [0,2,0,0,0,0|2,0,0]=4 16409 B13R0.201 CNC(=O)CCCNCCC(C)CO 34a_106354213184_100000741757 [0,2,0,0,0,0|2,0,0]=4 16410 B13R0.201 CNC(=O)CCCOCCC(C)OC 7a_100000764861_100000741757 [0,2,0,0,0,0|2,0,0]=4 16411 B13R0.201 CNC(=O)CCCSCCC(=O)OC 62a_100000204255_100000741757 [0,2,0,0,0,0|1,0,1]=4 16412 B13R0.201 CNC(=O)CCCSCCC(=O)OC 62a_100000741757_100000204255 [0,2,0,0,0,0|1,0,1]=4 16413 B13R0.201 CNC(=O)CCNCCCC(=O)OC 2230a_100000738227_100011218270 [0,2,0,0,0,0|1,0,1]=4 16414 B13R0.201 CNC(=O)CCNCCCC(=O)OC 34a_100000738227_100000742333 [0,2,0,0,0,0|1,0,1]=4 16415 B13R0.201 CNC(=O)CCOCCCC(=O)OC 34a_100000754576_100000742333 [0,2,0,0,0,0|1,0,1]=4 16416 B13R0.201 CNC(=O)CCOCCC[C@@H](C)CN 34a_100160569302_100012179268 [0,2,0,0,0,0|2,0,0]=4 16417 B13R0.201 CNC(=O)CCSCCCC(=O)OC 62a_100000737683_100011218270 [0,2,0,0,0,0|1,0,1]=4 16418 B13R0.201 CNC(=O)CCSCCCC(=O)OC 62a_100011218270_100000737683 [0,2,0,0,0,0|1,0,1]=4 16419 B13R0.201 CNC(=O)CNCCCCC(=O)OC 2230a_100000693194_100000204269 [0,2,0,0,0,0|1,0,1]=4 16420 B13R0.201 CNC(=O)COCCCCC(=O)OC 34a_100000059025_100000183359 [0,2,0,0,0,0|1,0,1]=4 16421 B13R0.201 CNC(=O)COCCCCC(=O)OC 34a_100000750040_100000204269 [0,2,0,0,0,0|1,0,1]=4 16422 B13R0.201 CNC(=O)COCCCCC(=O)OC 7a_100000059025_100000183359 [0,2,0,0,0,0|1,0,1]=4 16423 B13R0.201 CNC(=O)CSCCCCC(=O)OC 62a_100000183359_100000204269 [0,2,0,0,0,0|1,0,1]=4 16424 B13R0.201 CNC(=O)CSCCCCC(=O)OC 62a_100000204269_100000183359 [0,2,0,0,0,0|1,0,1]=4 16425 B13R0.201 COC(=O)CCCCCCC(=O)CF 1458a_100000036694_100015361967 [0,2,0,0,0,0|0,0,1]=3 16426 B13R0.201 COC(=O)CCCCCCC(=O)CO 1458a_100000210174_100009815986 [0,2,0,0,0,0|0,0,1]=3 16427 B13R0.201 COC(=O)CCCCCNC(=O)CO 188690a_100000184999_100000210174 [0,2,0,0,0,0|1,0,1]=4 16428 B13R0.201 COC(=O)CCCCCNC(C)C#N 2230a_100000737613_100009816466 [0,2,0,0,0,0|1,0,0]=3 16429 B13R0.201 COC(=O)CCCCCN[C@H](C)CO 2230a_100000737577_100009816466 [0,2,0,0,0,0|1,0,0]=3 16430 B13R0.201 COC(=O)CCCCCOC(C)C#N 34a_100011218135_100009816466 [0,2,0,0,0,0|1,0,0]=3 16431 B13R0.201 COC(=O)CCCCCOC(C)C#N 7a_100000074720_100000703298 [0,2,0,0,0,0|1,0,0]=3 16432 B13R0.201 COC(=O)CCCCCOC(C)CF 34a_100016041109_100009816466 [0,2,0,0,0,0|1,0,0]=3 16433 B13R0.201 COC(=O)CCCCCOC(C)CF 7a_100016041109_100009816466 [0,2,0,0,0,0|1,0,0]=3 16434 B13R0.201 COC(=O)CCCCCOC(C)CN 34a_100000210904_100009816466 [0,2,0,0,0,0|1,0,0]=3 16435 B13R0.201 COC(=O)CCCCCOC(C)CO 34a_100000074720_100012180447 [0,2,0,0,0,0|1,0,0]=3 16436 B13R0.201 COC(=O)CCCCCOC(C)CO 7a_100000074720_100012180447 [0,2,0,0,0,0|1,0,0]=3 16437 B13R0.201 COC(=O)CCCCCSC(C)C#N 62a_100000703298_100009816466 [0,2,0,0,0,0|1,0,0]=3 16438 B13R0.201 COC(=O)CCCCCSC(C)C#N 62a_100009816466_100000703298 [0,2,0,0,0,0|1,0,0]=3 16439 B13R0.201 COC(=O)CCCCCSC(C)CO 62a_100012180447_100009816466 [0,2,0,0,0,0|1,0,0]=3 16440 B13R0.201 COC(=O)CCCCCSC(C)OC 62a_100009816466_100009879195 [0,2,0,0,0,0|1,0,0]=3 16441 B13R0.201 COC(=O)CCCCCSC(C)OC 62a_100009879195_100009816466 [0,2,0,0,0,0|1,0,0]=3 16442 B13R0.201 COC(=O)CCCCCSC(F)C#N 62a_100009816466_200000117898 [0,2,0,0,0,0|1,0,1]=4 16443 B13R0.201 COC(=O)CCCCCSC(F)C#N 62a_200000117898_100009816466 [0,2,0,0,0,0|1,0,1]=4 16444 B13R0.201 COC(=O)CCCCCS[C@H](C)CO 62a_100009816466_100016084084 [0,2,0,0,0,0|1,0,0]=3 16445 B13R0.201 COC(=O)CCCCCS[C@H](C)CO 62a_100016084084_100009816466 [0,2,0,0,0,0|1,0,0]=3 16446 B13R0.201 COC(=O)CCCCNCC(C)CO 34a_100000744482_100000204269 [0,2,0,0,0,0|1,0,0]=3 16447 B13R0.201 COC(=O)CCCCNC[C@@H](C)OC 2230a_100020591295_100000204269 [0,2,0,0,0,0|1,0,0]=3 16448 B13R0.201 COC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100000204269 [0,2,0,0,0,0|1,0,0]=3 16449 B13R0.201 COC(=O)CCCCNC[C@H](O)CO 2230a_100020644852_100000204269 [0,2,0,0,0,0|1,0,0]=3 16450 B13R0.201 COC(=O)CCCCOCC(=O)OC 34a_100000059025_100000747449 [0,2,0,0,0,0|1,0,1]=4 16451 B13R0.201 COC(=O)CCCCOCC(=O)OC 7a_100000059025_100000747449 [0,2,0,0,0,0|1,0,1]=4 16452 B13R0.201 COC(=O)CCCCOCC(C)CN 34a_100000744482_100000204269 [0,2,0,0,0,0|1,0,0]=3 16453 B13R0.201 COC(=O)CCCCOCC(C)OC 34a_100000690652_100000204269 [0,2,0,0,0,0|1,0,0]=3 16454 B13R0.201 COC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100000204269 [0,2,0,0,0,0|1,0,0]=3 16455 B13R0.201 COC(=O)CCCCOCC(O)CO 34a_100000059025_100011219619 [0,2,0,0,0,0|1,0,0]=3 16456 B13R0.201 COC(=O)CCCCOCC(O)CO 7a_100000059025_100011219619 [0,2,0,0,0,0|1,0,0]=3 16457 B13R0.201 COC(=O)CCCCOC[C@@H](C)CO 34a_100000059025_100000059175 [0,2,0,0,0,0|1,0,0]=3 16458 B13R0.201 COC(=O)CCCCOC[C@@H](C)CO 7a_100000059025_100000059175 [0,2,0,0,0,0|1,0,0]=3 16459 B13R0.201 COC(=O)CCCCOC[C@@H](O)CF 34a_100000059025_100015614560 [0,2,0,0,0,0|1,0,0]=3 16460 B13R0.201 COC(=O)CCCCOC[C@@H](O)CF 7a_100000059025_100015614560 [0,2,0,0,0,0|1,0,0]=3 16461 B13R0.201 COC(=O)CCCCOC[C@@H](O)CO 34a_100000059025_100009815848 [0,2,0,0,0,0|1,0,0]=3 16462 B13R0.201 COC(=O)CCCCOC[C@@H](O)CO 7a_100000059025_100009815848 [0,2,0,0,0,0|1,0,0]=3 16463 B13R0.201 COC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100000204269 [0,2,0,0,0,0|1,0,0]=3 16464 B13R0.201 COC(=O)CCCCSCC(=O)OC 62a_100000204269_100000747449 [0,2,0,0,0,0|1,0,1]=4 16465 B13R0.201 COC(=O)CCCCSCC(=O)OC 62a_100000747449_100000204269 [0,2,0,0,0,0|1,0,1]=4 16466 B13R0.201 COC(=O)CCCCSCC(O)CO 62a_100000204269_100011219619 [0,2,0,0,0,0|1,0,0]=3 16467 B13R0.201 COC(=O)CCCCSCC(O)CO 62a_100011219619_100000204269 [0,2,0,0,0,0|1,0,0]=3 16468 B13R0.201 COC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000204269 [0,2,0,0,0,0|1,0,0]=3 16469 B13R0.201 COC(=O)CCCCSC[C@@H](C)CO 62a_100000204269_100000059175 [0,2,0,0,0,0|1,0,0]=3 16470 B13R0.201 COC(=O)CCCCSC[C@@H](O)CF 62a_100000204269_100015614560 [0,2,0,0,0,0|1,0,0]=3 16471 B13R0.201 COC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000204269 [0,2,0,0,0,0|1,0,0]=3 16472 B13R0.201 COC(=O)CCCCSC[C@@H](O)CO 62a_100000204269_100009815848 [0,2,0,0,0,0|1,0,0]=3 16473 B13R0.201 COC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000204269 [0,2,0,0,0,0|1,0,0]=3 16474 B13R0.201 COC(=O)CCCNCCC(C)CO 2230a_106354213184_100011218270 [0,2,0,0,0,0|1,0,0]=3 16475 B13R0.201 COC(=O)CCCNCCC(C)CO 34a_106354213184_100000742333 [0,2,0,0,0,0|1,0,0]=3 16476 B13R0.201 COC(=O)CCCOCCC(C)OC 7a_100000764861_100011218270 [0,2,0,0,0,0|1,0,0]=3 16477 B13R0.201 COC(=O)CCCSCCC(=O)OC 62a_100000204255_100011218270 [0,2,0,0,0,0|1,0,1]=4 16478 B13R0.201 COC(=O)CCCSCCC(=O)OC 62a_100011218270_100000204255 [0,2,0,0,0,0|1,0,1]=4 16479 B13R0.201 COC(=O)CCOCCC[C@@H](C)CN 34a_100160569302_100000742370 [0,2,0,0,0,0|1,0,0]=3 16480 B13R0.201 COC(=O)COCCNCC(C)CO 34a_100000744482_100000090808 [0,2,0,0,0,0|2,0,0]=4 16481 B13R0.201 COC(=O)COCCNC[C@@H](C)OC 2230a_100020591295_100000090808 [0,2,0,0,0,0|2,0,0]=4 16482 B13R0.201 COC(=O)COCCNC[C@@H](F)CO 34a_100015665980_100000090808 [0,2,0,0,0,0|2,0,0]=4 16483 B13R0.201 COC(=O)COCCNC[C@H](O)CO 2230a_100020644852_100000090808 [0,2,0,0,0,0|2,0,0]=4 16484 B13R0.201 COC(=O)COCCOCC(C)CN 34a_100000744482_100000090808 [0,2,0,0,0,0|2,0,0]=4 16485 B13R0.201 COC(=O)COCCOCC(C)OC 34a_100000690652_100000090808 [0,2,0,0,0,0|2,0,0]=4 16486 B13R0.201 COC(=O)COCCOCC(Cl)CCl 34a_100000033668_100000090808 [0,2,0,0,0,0|2,0,0]=4 16487 B13R0.201 COC(=O)COCCOC[C@H](F)CN 34a_100015665980_100000090808 [0,2,0,0,0,0|2,0,0]=4 16488 B13R0.201 COC(=O)COCCSCC(O)CO 62a_100000090808_100011219619 [0,2,0,0,0,0|2,0,0]=4 16489 B13R0.201 COC(=O)COCCSCC(O)CO 62a_100011219619_100000090808 [0,2,0,0,0,0|2,0,0]=4 16490 B13R0.201 COC(=O)COCCSC[C@@H](C)CO 62a_100000059175_100000090808 [0,2,0,0,0,0|2,0,0]=4 16491 B13R0.201 COC(=O)COCCSC[C@@H](C)CO 62a_100000090808_100000059175 [0,2,0,0,0,0|2,0,0]=4 16492 B13R0.201 COC(=O)COCCSC[C@@H](O)CF 62a_100000090808_100015614560 [0,2,0,0,0,0|2,0,0]=4 16493 B13R0.201 COC(=O)COCCSC[C@@H](O)CF 62a_100015614560_100000090808 [0,2,0,0,0,0|2,0,0]=4 16494 B13R0.201 COC(=O)COCCSC[C@@H](O)CO 62a_100000090808_100009815848 [0,2,0,0,0,0|2,0,0]=4 16495 B13R0.201 COC(=O)COCCSC[C@@H](O)CO 62a_100009815848_100000090808 [0,2,0,0,0,0|2,0,0]=4 16496 B13R0.431 CCC(=O)CCCCCC[N+](C)(C)C 1458a_100000210414_100009996864 [0,2,0,0,0,0|2,0,0]=4 16497 B13R0.431 CNC(=O)CCCNCCC(C)(C)C 2230a_100000738805_100000741757 [0,2,0,0,0,0|2,0,0]=4 16498 B13R0.431 CNC(=O)CCCNCCC(C)(C)C 2230a_100000740002_100000755188 [0,2,0,0,0,0|2,0,0]=4 16499 B13R0.431 CNC(=O)CCCNCCC(C)(C)C 34a_100000740002_100000755188 [0,2,0,0,0,0|2,0,0]=4 16500 B13R0.431 CNC(=O)CCCNCCC(C)(C)F 2230a_100016253952_100000741757 [0,2,0,0,0,0|2,0,0]=4 16501 B13R0.431 CNC(=O)CCCNCCC(C)(C)O 2230a_100000740002_100000702414 [0,2,0,0,0,0|2,0,0]=4 16502 B13R0.431 CNC(=O)CCCNCCC(C)(C)O 34a_100000740002_100000702414 [0,2,0,0,0,0|2,0,0]=4 16503 B13R0.431 CNC(=O)CCCOCCC(C)(C)C 7a_100000765024_100000741757 [0,2,0,0,0,0|2,0,0]=4 16504 B13R0.431 CNC(=O)CCCSCCC(C)(C)C 62a_100000741757_100000755188 [0,2,0,0,0,0|2,0,0]=4 16505 B13R0.431 CNC(=O)CCCSCCC(C)(C)C 62a_100000755188_100000741757 [0,2,0,0,0,0|2,0,0]=4 16506 B13R0.431 CNC(=O)CCCSCCC(C)(C)O 62a_100000702414_100000741757 [0,2,0,0,0,0|2,0,0]=4 16507 B13R0.431 CNC(=O)CCCSCCC(C)(C)O 62a_100000741757_100000702414 [0,2,0,0,0,0|2,0,0]=4 16508 B13R0.431 CNC(=O)CCNCCCC(C)(C)O 2230a_100000738227_100009888830 [0,2,0,0,0,0|2,0,0]=4 16509 B13R0.431 CNC(=O)CCNCCCC(C)(C)O 34a_100000738227_100009888830 [0,2,0,0,0,0|2,0,0]=4 16510 B13R0.431 CNC(=O)CCOCCCC(C)(C)O 34a_100000754576_100009888830 [0,2,0,0,0,0|2,0,0]=4 16511 B13R0.431 CNC(=O)CCSCCCC(C)(C)O 62a_100000737683_100009888830 [0,2,0,0,0,0|2,0,0]=4 16512 B13R0.431 CNC(=O)CCSCCCC(C)(C)O 62a_100009888830_100000737683 [0,2,0,0,0,0|2,0,0]=4 16513 B13R0.431 COC(=O)CCCCCNC(C)(C)C 2230a_100000715429_100009816466 [0,2,0,0,0,0|1,0,0]=3 16514 B13R0.431 COC(=O)CCCCCOC(C)(C)C 34a_100000074720_100000210625 [0,2,0,0,0,0|1,0,0]=3 16515 B13R0.431 COC(=O)CCCCCOC(C)(C)C 34a_100015890283_100009816466 [0,2,0,0,0,0|1,0,0]=3 16516 B13R0.431 COC(=O)CCCCCOC(C)(C)C 7a_100015890283_100009816466 [0,2,0,0,0,0|1,0,0]=3 16517 B13R0.431 COC(=O)CCCCCOC(F)(F)F 34a_100000074720_200103152311 [0,2,0,0,0,0|2,0,0]=4 16518 B13R0.431 COC(=O)CCCCCOC(F)(F)F 7a_100000074720_200000243211 [0,2,0,0,0,0|2,0,0]=4 16519 B13R0.431 COC(=O)CCCCCSC(C)(C)C 62a_100000211941_100009816466 [0,2,0,0,0,0|1,0,0]=3 16520 B13R0.431 COC(=O)CCCCCSC(C)(C)C 62a_100009816466_100000211941 [0,2,0,0,0,0|1,0,0]=3 16521 B13R0.431 COC(=O)CCCCCSC(F)(F)F 62a_100009816466_200103152311 [0,2,0,0,0,0|2,0,0]=4 16522 B13R0.431 COC(=O)CCCCCSC(F)(F)F 62a_200000243211_100009816466 [0,2,0,0,0,0|2,0,0]=4 16523 B13R0.431 COC(=O)CCCCNCC(C)(C)C 2230a_100000743828_100000204269 [0,2,0,0,0,0|1,0,0]=3 16524 B13R0.431 COC(=O)CCCCNCC(C)(C)F 2230a_100020643315_100000204269 [0,2,0,0,0,0|1,0,0]=3 16525 B13R0.431 COC(=O)CCCCNCC(C)(C)O 2230a_100000751335_100000204269 [0,2,0,0,0,0|1,0,0]=3 16526 B13R0.431 COC(=O)CCCCNCC(F)(F)F 34a_100000717047_100000204269 [0,2,0,0,0,0|2,0,0]=4 16527 B13R0.431 COC(=O)CCCCOCC(C)(C)C 34a_100000059025_100011219605 [0,2,0,0,0,0|1,0,0]=3 16528 B13R0.431 COC(=O)CCCCOCC(C)(C)F 34a_100000059025_100011997219 [0,2,0,0,0,0|1,0,0]=3 16529 B13R0.431 COC(=O)CCCCOCC(C)(C)F 34a_100000716592_100000204269 [0,2,0,0,0,0|1,0,0]=3 16530 B13R0.431 COC(=O)CCCCOCC(C)(C)O 34a_100000059025_100000764493 [0,2,0,0,0,0|1,0,0]=3 16531 B13R0.431 COC(=O)CCCCOCC(C)(C)O 7a_100000059025_100000764493 [0,2,0,0,0,0|1,0,0]=3 16532 B13R0.431 COC(=O)CCCCOCC(C)(F)F 34a_100000068830_100000204269 [0,2,0,0,0,0|1,0,0]=3 16533 B13R0.431 COC(=O)CCCCOCC(F)(F)Br 34a_100011217949_100000204269 [0,2,0,0,0,0|2,0,0]=4 16534 B13R0.431 COC(=O)CCCCOCC(F)(F)Cl 34a_100000734434_100000204269 [0,2,0,0,0,0|2,0,0]=4 16535 B13R0.431 COC(=O)CCCCOCC(F)(F)F 34a_100000210435_100000204269 [0,2,0,0,0,0|2,0,0]=4 16536 B13R0.431 COC(=O)CCCCOC[Si](C)(C)C 7a_100000059025_100000233785 [0,2,0,0,0,0|1,1,0]=4 16537 B13R0.431 COC(=O)CCCCSCC(C)(C)C 62a_100000204269_100011219605 [0,2,0,0,0,0|1,0,0]=3 16538 B13R0.431 COC(=O)CCCCSCC(C)(C)C 62a_100011219605_100000204269 [0,2,0,0,0,0|1,0,0]=3 16539 B13R0.431 COC(=O)CCCCSCC(C)(C)F 62a_100000204269_100011997219 [0,2,0,0,0,0|1,0,0]=3 16540 B13R0.431 COC(=O)CCCCSCC(C)(C)F 62a_100011997219_100000204269 [0,2,0,0,0,0|1,0,0]=3 16541 B13R0.431 COC(=O)CCCCSCC(C)(C)O 62a_100000204269_100000764493 [0,2,0,0,0,0|1,0,0]=3 16542 B13R0.431 COC(=O)CCCCSCC(C)(C)O 62a_100000764493_100000204269 [0,2,0,0,0,0|1,0,0]=3 16543 B13R0.431 COC(=O)CCCCSCC(F)(F)F 62a_100000204269_100000763148 [0,2,0,0,0,0|2,0,0]=4 16544 B13R0.431 COC(=O)CCCCSCC(F)(F)F 62a_100000763148_100000204269 [0,2,0,0,0,0|2,0,0]=4 16545 B13R0.431 COC(=O)CCCCSC[N+](C)(C)C 62a_100000204269_200000036245 [0,2,0,0,0,0|2,0,0]=4 16546 B13R0.431 COC(=O)CCCCSC[N+](C)(C)C 62a_200000036245_100000204269 [0,2,0,0,0,0|2,0,0]=4 16547 B13R0.431 COC(=O)CCCCSC[Si](C)(C)C 62a_100000037933_100000204269 [0,2,0,0,0,0|1,1,0]=4 16548 B13R0.431 COC(=O)CCCCSC[Si](C)(C)C 62a_100000204269_100000037933 [0,2,0,0,0,0|1,1,0]=4 16549 B13R0.431 COC(=O)CCCNCCC(C)(C)C 2230a_100000738805_100011218270 [0,2,0,0,0,0|1,0,0]=3 16550 B13R0.431 COC(=O)CCCNCCC(C)(C)F 2230a_100016253952_100011218270 [0,2,0,0,0,0|1,0,0]=3 16551 B13R0.431 COC(=O)CCCNCCC(F)(F)F 2230a_100000740434_100011218270 [0,2,0,0,0,0|2,0,0]=4 16552 B13R0.431 COC(=O)CCCNCCC(F)(F)F 34a_100000740434_100000742333 [0,2,0,0,0,0|2,0,0]=4 16553 B13R0.431 COC(=O)CCCNCCS(=O)(=O)C 2230a_100000740961_100011218270 [0,2,0,0,0,0|2,0,0]=4 16554 B13R0.431 COC(=O)CCCNCCS(=O)(=O)C 34a_100000740961_100000742333 [0,2,0,0,0,0|2,0,0]=4 16555 B13R0.431 COC(=O)CCCOCCC(C)(C)C 7a_100000765024_100011218270 [0,2,0,0,0,0|1,0,0]=3 16556 B13R0.431 COC(=O)CCCOCCC(F)(F)F 34a_100000752437_100000742333 [0,2,0,0,0,0|2,0,0]=4 16557 B13R0.431 COC(=O)CCCOCCS(=O)(=O)C 34a_100000211924_100000742333 [0,2,0,0,0,0|2,0,0]=4 16558 B13R0.431 COC(=O)CCCOCCS(=O)(=O)C 7a_100000211924_100011218270 [0,2,0,0,0,0|2,0,0]=4 16559 B13R0.431 COC(=O)CCCOCC[N+](C)(C)C 7a_200020618287_100011218270 [0,2,0,0,0,0|2,0,0]=4 16560 B13R0.431 COC(=O)CCCOCC[Si](C)(C)C 7a_100000039746_100011218270 [0,2,0,0,0,0|1,1,0]=4 16561 B13R0.431 COC(=O)CCCSCCC(C)(C)C 62a_100000755188_100011218270 [0,2,0,0,0,0|1,0,0]=3 16562 B13R0.431 COC(=O)CCCSCCC(C)(C)C 62a_100011218270_100000755188 [0,2,0,0,0,0|1,0,0]=3 16563 B13R0.431 COC(=O)CCCSCCC(C)(C)O 62a_100000702414_100011218270 [0,2,0,0,0,0|1,0,0]=3 16564 B13R0.431 COC(=O)CCCSCCC(C)(C)O 62a_100011218270_100000702414 [0,2,0,0,0,0|1,0,0]=3 16565 B13R0.431 COC(=O)CCCSCCC(F)(F)F 62a_100011218270_100011219754 [0,2,0,0,0,0|2,0,0]=4 16566 B13R0.431 COC(=O)CCCSCCC(F)(F)F 62a_100011219754_100011218270 [0,2,0,0,0,0|2,0,0]=4 16567 B13R0.431 COC(=O)CCCSCCS(=O)(=O)C 62a_100000731031_100011218270 [0,2,0,0,0,0|2,0,0]=4 16568 B13R0.431 COC(=O)CCCSCCS(=O)(=O)C 62a_100011218270_100000230027 [0,2,0,0,0,0|2,0,0]=4 16569 B13R0.431 COC(=O)CCCSCC[N+](C)(C)C 62a_100000085578_100011218270 [0,2,0,0,0,0|2,0,0]=4 16570 B13R0.431 COC(=O)CCCSCC[N+](C)(C)C 62a_100011218270_100000085578 [0,2,0,0,0,0|2,0,0]=4 16571 B13R0.431 COC(=O)CCCSCC[Si](C)(C)C 62a_100011218270_200000733723 [0,2,0,0,0,0|1,1,0]=4 16572 B13R0.431 COC(=O)CCCSCC[Si](C)(C)C 62a_200000733723_100011218270 [0,2,0,0,0,0|1,1,0]=4 16573 B13R0.431 COC(=O)CCNCCCC(F)(F)F 2230a_100000727188_100000204255 [0,2,0,0,0,0|2,0,0]=4 16574 B13R0.431 COC(=O)CCNCCCC(F)(F)F 34a_100000727188_100000742370 [0,2,0,0,0,0|2,0,0]=4 16575 B13R0.431 COC(=O)CCNCCCS(=O)(=O)C 2230a_100000742409_100000204255 [0,2,0,0,0,0|2,0,0]=4 16576 B13R0.431 COC(=O)CCNCCCS(=O)(=O)C 34a_100000742409_100000742370 [0,2,0,0,0,0|2,0,0]=4 16577 B13R0.431 COC(=O)CCNCCOC(C)(C)C 2230a_100000747557_100000204255 [0,2,0,0,0,0|2,0,0]=4 16578 B13R0.431 COC(=O)CCNCCSC(C)(C)C 2230a_100000689375_100000204255 [0,2,0,0,0,0|2,0,0]=4 16579 B13R0.431 COC(=O)CCOCCCC(F)(F)F 34a_100000749235_100000742370 [0,2,0,0,0,0|2,0,0]=4 16580 B13R0.431 COC(=O)CCOCCCS(=O)(=O)C 34a_100000689940_100000742370 [0,2,0,0,0,0|2,0,0]=4 16581 B13R0.431 COC(=O)CCOCCCS(=O)(=O)C 7a_100000689940_100000204255 [0,2,0,0,0,0|2,0,0]=4 16582 B13R0.431 COC(=O)CCOCCC[Si](C)(C)C 7a_200011215415_100000204255 [0,2,0,0,0,0|1,1,0]=4 16583 B13R0.431 COC(=O)CCOCCOC(C)(C)C 34a_100000693234_100000742370 [0,2,0,0,0,0|2,0,0]=4 16584 B13R0.431 COC(=O)CCOCCOC(C)(C)C 7a_100000693234_100000204255 [0,2,0,0,0,0|2,0,0]=4 16585 B13R0.431 COC(=O)CCSCCCC(C)(C)O 62a_100000204255_100009888830 [0,2,0,0,0,0|1,0,0]=3 16586 B13R0.431 COC(=O)CCSCCCC(C)(C)O 62a_100009888830_100000204255 [0,2,0,0,0,0|1,0,0]=3 16587 B13R0.431 COC(=O)CCSCCCC(F)(F)F 62a_100000204255_100011216173 [0,2,0,0,0,0|2,0,0]=4 16588 B13R0.431 COC(=O)CCSCCCC(F)(F)F 62a_100011216173_100000204255 [0,2,0,0,0,0|2,0,0]=4 16589 B13R0.431 COC(=O)CCSCCCS(=O)(=O)C 62a_100000204255_100000754308 [0,2,0,0,0,0|2,0,0]=4 16590 B13R0.431 COC(=O)CCSCCCS(=O)(=O)C 62a_100000754308_100000204255 [0,2,0,0,0,0|2,0,0]=4 16591 B13R0.431 COC(=O)CCSCCC[N+](C)(C)C 62a_100000204255_100016990835 [0,2,0,0,0,0|2,0,0]=4 16592 B13R0.431 COC(=O)CCSCCC[N+](C)(C)C 62a_100016990835_100000204255 [0,2,0,0,0,0|2,0,0]=4 16593 B13R0.431 COC(=O)CCSCCC[Si](C)(C)C 62a_100000204255_100011219597 [0,2,0,0,0,0|1,1,0]=4 16594 B13R0.431 COC(=O)CCSCCC[Si](C)(C)C 62a_100011219597_100000204255 [0,2,0,0,0,0|1,1,0]=4 16595 B13R0.431 COC(=O)CNCCCOC(C)(C)C 2230a_100011250582_100000747449 [0,2,0,0,0,0|2,0,0]=4 16596 B13R0.431 COC(=O)COCCCCC(F)(F)F 34a_100000749236_100000747449 [0,2,0,0,0,0|2,0,0]=4 16597 B13R0.431 COC(=O)COCCCCC(F)(F)F 7a_100000749236_100000747449 [0,2,0,0,0,0|2,0,0]=4 16598 B13R0.431 COC(=O)COCCCC[Si](C)(C)C 7a_200009881916_100000747449 [0,2,0,0,0,0|1,1,0]=4 16599 B13R0.431 COC(=O)COCCNCC(C)(C)C 2230a_100000743828_100000090808 [0,2,0,0,0,0|2,0,0]=4 16600 B13R0.431 COC(=O)COCCNCC(C)(C)F 2230a_100020643315_100000090808 [0,2,0,0,0,0|2,0,0]=4 16601 B13R0.431 COC(=O)COCCNCC(C)(C)O 2230a_100000751335_100000090808 [0,2,0,0,0,0|2,0,0]=4 16602 B13R0.431 COC(=O)COCCOCC(C)(C)F 34a_100000716592_100000090808 [0,2,0,0,0,0|2,0,0]=4 16603 B13R0.431 COC(=O)COCCOCC(C)(F)F 34a_100000068830_100000090808 [0,2,0,0,0,0|2,0,0]=4 16604 B13R0.431 COC(=O)COCCSCC(C)(C)C 62a_100000090808_100011219605 [0,2,0,0,0,0|2,0,0]=4 16605 B13R0.431 COC(=O)COCCSCC(C)(C)C 62a_100011219605_100000090808 [0,2,0,0,0,0|2,0,0]=4 16606 B13R0.431 COC(=O)COCCSCC(C)(C)F 62a_100000090808_100011997219 [0,2,0,0,0,0|2,0,0]=4 16607 B13R0.431 COC(=O)COCCSCC(C)(C)F 62a_100011997219_100000090808 [0,2,0,0,0,0|2,0,0]=4 16608 B13R0.431 COC(=O)COCCSCC(C)(C)O 62a_100000090808_100000764493 [0,2,0,0,0,0|2,0,0]=4 16609 B13R0.431 COC(=O)COCCSCC(C)(C)O 62a_100000764493_100000090808 [0,2,0,0,0,0|2,0,0]=4 16610 B13R0.431 COC(=O)CSCCCCC(F)(F)F 62a_100000692467_100000747449 [0,2,0,0,0,0|2,0,0]=4 16611 B13R0.431 COC(=O)CSCCCCC(F)(F)F 62a_100000747449_100000692467 [0,2,0,0,0,0|2,0,0]=4 16612 B13R0.431 COC(=O)NCCOCCC(C)(C)C 34a_100000757965_100000755188 [0,2,0,0,0,0|2,0,0]=4 16613 B13R0.431 COC(=O)NCCOCCC(C)(C)O 34a_100000757965_100000702414 [0,2,0,0,0,0|2,0,0]=4 16614 B13R0.431 COC(=O)OCCOCCC(C)(C)C 34a_100010262106_100000755188 [0,2,0,0,0,0|2,0,0]=4 16615 B13R0.431 COC(=O)OCCOCCC(C)(C)O 34a_100010262106_100000702414 [0,2,0,0,0,0|2,0,0]=4 16616 B13R0.431 COC(=O)OCSCCCC(C)(C)O 62a_100009888830_100000139417 [0,2,0,0,0,0|2,0,0]=4 16617 B13R0.113 C#CCCC(=O)CCCCC(=O)OC 1458a_100000692101_100000204269 [0,2,0,0,0,0|0,0,2]=4 16618 B13R0.113 C#CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000753159 [0,2,0,0,0,0|0,0,2]=4 16619 B13R0.113 C/C=C/CC(=O)CCCCC(=O)OC 1458a_100000695723_100102629194 [0,2,0,0,0,0|0,0,2]=4 16620 B13R0.113 C=CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000754431 [0,2,0,0,0,0|0,0,2]=4 16621 B13R0.113 C=CCCC(=O)CCCCC(=O)OC 1458a_100000749702_100000204269 [0,2,0,0,0,0|0,0,2]=4 16622 B13R0.113 C=CCCC(C)OCCCC(=O)OC 34a_100000765329_100000742333 [0,2,0,0,0,0|0,0,2]=4 16623 B13R0.113 C=CCCC(C)OCCCC(=O)OC 7a_100000765329_100011218270 [0,2,0,0,0,0|0,0,2]=4 16624 B13R0.113 C=CCCN(C)CCCCC(=O)OC 2230a_100020639649_100000204269 [0,2,0,0,0,0|0,0,2]=4 16625 B13R0.113 C=CCCN(C)CCCCC(=O)OC 269982a_100020639649_100000204269 [0,2,0,0,0,0|0,0,2]=4 16626 B13R0.113 CC#CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000748600 [0,2,0,0,0,0|0,0,2]=4 16627 B13R0.113 CC=CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000070051 [0,2,0,0,0,0|0,0,2]=4 16628 B13R0.113 CC=CCC(=O)CCCCC(=O)OC 1458a_100121576822_100000204269 [0,2,0,0,0,0|0,0,2]=4 16629 B13R0.113 CCC#CC(=O)CCCCC(=O)OC 1458a_100011827653_100000204269 [0,2,0,0,0,0|0,0,2]=4 16630 B13R0.113 CCC#CC(C)OCCCC(=O)OC 34a_100000033903_100000742333 [0,2,0,0,0,0|0,0,2]=4 16631 B13R0.113 CCC#CC(C)OCCCC(=O)OC 7a_100000033903_100011218270 [0,2,0,0,0,0|0,0,2]=4 16632 B13R0.113 CCC=CC(=O)CCCCC(=O)OC 1458a_100000212282_100000204269 [0,2,0,0,0,0|0,0,2]=4 16633 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000210183_100000204269 [0,2,0,0,0,0|0,0,0]=2 16634 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210211 [0,2,0,0,0,0|0,0,0]=2 16635 B13R0.113 CCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210211 [0,2,0,0,0,0|0,0,1]=3 16636 B13R0.113 CCCCC(=O)CCOCC(=O)OC 1458a_100000210183_100000090808 [0,2,0,0,0,0|0,0,1]=3 16637 B13R0.113 CCCCC(=O)NCCCC(=O)NC 11a_100000740002_100000210183 [0,2,0,0,0,0|1,0,1]=4 16638 B13R0.113 CCCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210183 [0,2,0,0,0,0|1,0,1]=4 16639 B13R0.113 CCCCC(=O)NCCCC(=O)NC 527a_100000740002_100000210183 [0,2,0,0,0,0|1,0,1]=4 16640 B13R0.113 CCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210183 [0,2,0,0,0,0|0,0,1]=3 16641 B13R0.113 CCCCC(C)COCCC(=O)NC 34a_100011995851_100012179268 [0,2,0,0,0,0|1,0,0]=3 16642 B13R0.113 CCCCC(C)COCCC(=O)NC 7a_100011995851_100000737683 [0,2,0,0,0,0|1,0,0]=3 16643 B13R0.113 CCCCC(C)COCCC(=O)OC 34a_100011995851_100000742370 [0,2,0,0,0,0|0,0,0]=2 16644 B13R0.113 CCCCC(C)COCCC(=O)OC 7a_100011995851_100000204255 [0,2,0,0,0,0|0,0,0]=2 16645 B13R0.113 CCCCC(C)NC/C=C/C(=O)OC 2230a_100000126638_100000742655 [0,2,0,0,0,0|0,0,2]=4 16646 B13R0.113 CCCCC(C)NCCCC(=O)NC 2230a_100000126638_100000741757 [0,2,0,0,0,0|1,0,0]=3 16647 B13R0.113 CCCCC(C)NCCCC(=O)NC 2230a_100000740002_200011215066 [0,2,0,0,0,0|1,0,0]=3 16648 B13R0.113 CCCCC(C)NCCCC(=O)NC 270004a_100000740002_100000210087 [0,2,0,0,0,0|1,0,0]=3 16649 B13R0.113 CCCCC(C)NCCCC(=O)NC 34a_100000740002_200011215066 [0,2,0,0,0,0|1,0,0]=3 16650 B13R0.113 CCCCC(C)NCCCC(=O)OC 2230a_100000126638_100011218270 [0,2,0,0,0,0|0,0,0]=2 16651 B13R0.113 CCCCC(C)NCCNC(=O)CC 270004a_100132302217_100000210087 [0,2,0,0,0,0|2,0,0]=4 16652 B13R0.113 CCCCC(C)NCCNC(=O)CC 34a_100132302217_200011215066 [0,2,0,0,0,0|2,0,0]=4 16653 B13R0.113 CCCCC(C)NCCNC(=O)NC 34a_100015205895_200011215066 [0,2,0,0,0,0|2,0,0]=4 16654 B13R0.113 CCCCC(C)OC/C=C/C(=O)OC 34a_100000687866_100000742655 [0,2,0,0,0,0|0,0,2]=4 16655 B13R0.113 CCCCC(C)OC/C=C/C(=O)OC 7a_100000687866_100000742655 [0,2,0,0,0,0|0,0,2]=4 16656 B13R0.113 CCCCC(C)OCCCC(=O)NC 34a_100000687866_100000741757 [0,2,0,0,0,0|1,0,0]=3 16657 B13R0.113 CCCCC(C)OCCCC(=O)NC 7a_100000687866_100000741757 [0,2,0,0,0,0|1,0,0]=3 16658 B13R0.113 CCCCC(C)OCCCC(=O)NN 34a_100000211488_200011215066 [0,2,0,0,0,0|2,0,0]=4 16659 B13R0.113 CCCCC(C)OCCCC(=O)OC 34a_100000687866_100000742333 [0,2,0,0,0,0|0,0,0]=2 16660 B13R0.113 CCCCC(C)OCCCC(=O)OC 7a_100000687866_100011218270 [0,2,0,0,0,0|0,0,0]=2 16661 B13R0.113 CCCCC(C)OCCNC(=O)CC 34a_200000158885_200011215066 [0,2,0,0,0,0|2,0,0]=4 16662 B13R0.113 CCCCC(C)OCCNC(=O)CC 7a_200000158885_200011215066 [0,2,0,0,0,0|2,0,0]=4 16663 B13R0.113 CCCCC(C)OCCNC(=O)OC 34a_100000757965_200011215066 [0,2,0,0,0,0|1,0,0]=3 16664 B13R0.113 CCCCC(C)OCCOC(=O)CC 7a_200000031056_200011215066 [0,2,0,0,0,0|2,0,0]=4 16665 B13R0.113 CCCCC(C)OCCOC(=O)NC 34a_100000687866_200011997002 [0,2,0,0,0,0|2,0,0]=4 16666 B13R0.113 CCCCC(C)OCCOC(=O)NC 7a_100000687866_200011997002 [0,2,0,0,0,0|2,0,0]=4 16667 B13R0.113 CCCCC(C)OCCOC(=O)OC 34a_100010262106_200011215066 [0,2,0,0,0,0|1,0,0]=3 16668 B13R0.113 CCCCC(C)SC/C=C/C(=O)OC 62a_100000742655_200011215066 [0,2,0,0,0,0|0,0,2]=4 16669 B13R0.113 CCCCC(C)SC/C=C/C(=O)OC 62a_200011215066_100000742655 [0,2,0,0,0,0|0,0,2]=4 16670 B13R0.113 CCCCC(C)SCCCC(=O)NC 62a_100000741757_200011215066 [0,2,0,0,0,0|1,0,0]=3 16671 B13R0.113 CCCCC(C)SCCCC(=O)NC 62a_200011215066_100000741757 [0,2,0,0,0,0|1,0,0]=3 16672 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_100011218270_200011215066 [0,2,0,0,0,0|0,0,0]=2 16673 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_200011215066_100011218270 [0,2,0,0,0,0|0,0,0]=2 16674 B13R0.113 CCCCC(C)SCCOC(=O)NC 62a_200011215066_200011997002 [0,2,0,0,0,0|2,0,0]=4 16675 B13R0.113 CCCCC(C)SCCOC(=O)NC 62a_200011997002_200011215066 [0,2,0,0,0,0|2,0,0]=4 16676 B13R0.113 CCCCN(C)CCCCC(=O)OC 2230a_100000207549_100000204269 [0,2,0,0,0,0|0,0,0]=2 16677 B13R0.113 CCCCN(C)CCCCC(=O)OC 269982a_100000207549_100000204269 [0,2,0,0,0,0|0,0,0]=2 16678 B13R0.113 CCCCN(C)CCOCC(=O)OC 2230a_100000207549_100000090808 [0,2,0,0,0,0|1,0,0]=3 16679 B13R0.113 CCCC[C@H](N)COCCC(=O)NC 34a_100011934283_100012179268 [0,2,0,0,0,0|1,0,0]=3 16680 B13R0.113 CCCC[C@H](N)COCCC(=O)OC 34a_100011934283_100000742370 [0,2,0,0,0,0|0,0,0]=2 16681 B13R0.113 CCCNC(=O)CCCCC(=O)OC 11a_100020643023_100000695723 [0,2,0,0,0,0|0,0,1]=3 16682 B13R0.113 CCCNC(=O)CCCCC(=O)OC 1626a_100020643023_100000695723 [0,2,0,0,0,0|0,0,1]=3 16683 B13R0.113 CCCNC(=O)CCCCC(=O)OC 240690a_100020643023_100000695723 [0,2,0,0,0,0|0,0,1]=3 16684 B13R0.113 CCCNC(=O)CCCCC(=O)OC 527a_100020643023_100000695723 [0,2,0,0,0,0|0,0,1]=3 16685 B13R0.113 CCCNC(=O)CCCNC(=O)OC 11a_100020643023_100000753017 [0,2,0,0,0,0|1,0,1]=4 16686 B13R0.113 CCCNC(=O)CCCNC(=O)OC 1626a_100020643023_100000753017 [0,2,0,0,0,0|1,0,1]=4 16687 B13R0.113 CCCNC(=O)CCCNC(=O)OC 240690a_100020643023_100000753017 [0,2,0,0,0,0|1,0,1]=4 16688 B13R0.113 CCCNC(=O)CCCNC(=O)OC 527a_100020643023_100000753017 [0,2,0,0,0,0|1,0,1]=4 16689 B13R0.113 CCCNC(=O)CNCCC(=O)OC 2230a_100000174927_100000204255 [0,2,0,0,0,0|1,0,1]=4 16690 B13R0.113 CCCNC(=O)CSCCC(=O)OC 62a_100000183358_100000204255 [0,2,0,0,0,0|1,0,1]=4 16691 B13R0.113 CCCNC(=O)CSCCC(=O)OC 62a_100000204255_100000183358 [0,2,0,0,0,0|1,0,1]=4 16692 B13R0.113 CCCOC(=O)CSCCC(=O)OC 62a_100000204255_200011215008 [0,2,0,0,0,0|1,0,1]=4 16693 B13R0.113 CCCOC(=O)CSCCC(=O)OC 62a_200011215008_100000204255 [0,2,0,0,0,0|1,0,1]=4 16694 B13R0.113 CCCOC(C)CNCCC(=O)NC 2230a_100015185124_100000737683 [0,2,0,0,0,0|2,0,0]=4 16695 B13R0.113 CCCOC(C)CNCCC(=O)NC 34a_100015185124_100012179268 [0,2,0,0,0,0|2,0,0]=4 16696 B13R0.113 CCCOC(C)CNCCC(=O)OC 2230a_100015185124_100000204255 [0,2,0,0,0,0|1,0,0]=3 16697 B13R0.113 CCCOC(C)CNCCC(=O)OC 34a_100015185124_100000742370 [0,2,0,0,0,0|1,0,0]=3 16698 B13R0.113 CCNCC(=O)NCCCC(=O)OC 2230a_100015525214_100000230218 [0,2,0,0,0,0|1,0,1]=4 16699 B13R0.113 CCNN=C(C)CCCCC(=O)OC 4a_100000756455_100010369326 [0,2,0,0,0,0|1,0,1]=4 16700 B13R0.113 CCNNC(=O)CCCCC(=O)OC 22a_100000756455_100000695723 [0,2,0,0,0,0|1,0,1]=4 16701 B13R0.113 CCOCC(=O)CCCCC(=O)OC 1458a_100000211967_100000204269 [0,2,0,0,0,0|0,0,1]=3 16702 B13R0.113 CCOCC(=O)CCOCC(=O)OC 1458a_100000211967_100000090808 [0,2,0,0,0,0|1,0,1]=4 16703 B13R0.113 CCOCC(=O)NCCCC(=O)OC 188690a_100000184769_100000211967 [0,2,0,0,0,0|1,0,1]=4 16704 B13R0.113 CCOCC(=O)NCCCC(=O)OC 34a_100121572206_100000230218 [0,2,0,0,0,0|1,0,1]=4 16705 B13R0.113 CCOCC(C)OCCCC(=O)NC 34a_100000718985_100000741757 [0,2,0,0,0,0|2,0,0]=4 16706 B13R0.113 CCOCC(C)OCCCC(=O)NC 7a_100000718985_100000741757 [0,2,0,0,0,0|2,0,0]=4 16707 B13R0.113 CCOCC(C)OCCCC(=O)OC 34a_100000718985_100000742333 [0,2,0,0,0,0|1,0,0]=3 16708 B13R0.113 CCOCC(C)OCCCC(=O)OC 7a_100000718985_100011218270 [0,2,0,0,0,0|1,0,0]=3 16709 B13R0.113 CCOCC(O)CNCCC(=O)NC 2230a_102515437182_100000737683 [0,2,0,0,0,0|2,0,0]=4 16710 B13R0.113 CCOCC(O)CNCCC(=O)NC 34a_102515437182_100012179268 [0,2,0,0,0,0|2,0,0]=4 16711 B13R0.113 CCOCC(O)CNCCC(=O)OC 2230a_102515437182_100000204255 [0,2,0,0,0,0|1,0,0]=3 16712 B13R0.113 CCOCC(O)CNCCC(=O)OC 34a_102515437182_100000742370 [0,2,0,0,0,0|1,0,0]=3 16713 B13R0.113 CCSCC(=O)CCCCC(=O)OC 1458a_100000230394_100000204269 [0,2,0,0,0,0|0,0,1]=3 16714 B13R0.113 CCSCC(=O)CCOCC(=O)OC 1458a_100000230394_100000090808 [0,2,0,0,0,0|1,0,1]=4 16715 B13R0.113 CCSCC(=O)NCCCC(=O)OC 188690a_100000184769_100000230394 [0,2,0,0,0,0|1,0,1]=4 16716 B13R0.113 CCSCC(=O)NCCCC(=O)OC 62a_100000210202_100000230218 [0,2,0,0,0,0|1,0,1]=4 16717 B13R0.113 CCSCC(=O)NCCCC(=O)OC 62a_100000230218_100000210202 [0,2,0,0,0,0|1,0,1]=4 16718 B13R0.113 CCSCC(C)NCCCC(=O)NC 270004a_100000740002_200011216171 [0,2,0,0,0,0|2,0,0]=4 16719 B13R0.113 CNC(=O)CCCNC(C)CCOC 270004a_100000740002_100000742357 [0,2,0,0,0,0|2,0,0]=4 16720 B13R0.113 CNC(=O)CCCNC(C)CCSC 270004a_100000740002_100011217047 [0,2,0,0,0,0|2,0,0]=4 16721 B13R0.113 CNC(=O)CCCOC(C)CCCCl 34a_200000718107_100000741757 [0,2,0,0,0,0|2,0,0]=4 16722 B13R0.113 CNC(=O)CCCOC(C)CCCCl 7a_200000718107_100000741757 [0,2,0,0,0,0|2,0,0]=4 16723 B13R0.113 CNC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100000737683 [0,2,0,0,0,0|2,0,0]=4 16724 B13R0.113 CNC(=O)CCNC[C@H](C)CCCO 34a_100160569302_100012179268 [0,2,0,0,0,0|2,0,0]=4 16725 B13R0.113 CNC(=O)CCOC[C@@H](N)CCSC 34a_100011827619_100012179268 [0,2,0,0,0,0|2,0,0]=4 16726 B13R0.113 COC(=O)CCCCC(=O)CCC#N 1458a_100000695723_100011215226 [0,2,0,0,0,0|0,0,2]=4 16727 B13R0.113 COC(=O)CCCCC(=O)CCC#N 1458a_100011934036_100000204269 [0,2,0,0,0,0|0,0,2]=4 16728 B13R0.113 COC(=O)CCCCC(=O)CCCF 1458a_100000695723_100011934791 [0,2,0,0,0,0|0,0,1]=3 16729 B13R0.113 COC(=O)CCCCC(=O)CCCO 1458a_100000695723_100011215043 [0,2,0,0,0,0|0,0,1]=3 16730 B13R0.113 COC(=O)CCCCC(=O)CCSC 1458a_100000174002_100000204269 [0,2,0,0,0,0|0,0,1]=3 16731 B13R0.113 COC(=O)CCCCC(=O)CCSC 1458a_100000695723_100000751147 [0,2,0,0,0,0|0,0,1]=3 16732 B13R0.113 COC(=O)CCCCC(=O)NCCF 11a_100000724931_100000695723 [0,2,0,0,0,0|1,0,1]=4 16733 B13R0.113 COC(=O)CCCCC(=O)NCCF 1626a_100000724931_100000695723 [0,2,0,0,0,0|1,0,1]=4 16734 B13R0.113 COC(=O)CCCCC(=O)NCCF 240690a_100000724931_100000695723 [0,2,0,0,0,0|1,0,1]=4 16735 B13R0.113 COC(=O)CCCCC(=O)NCCF 527a_100000724931_100000695723 [0,2,0,0,0,0|1,0,1]=4 16736 B13R0.113 COC(=O)CCCCC(=O)NCCO 240690a_100000210304_100000695723 [0,2,0,0,0,0|1,0,1]=4 16737 B13R0.113 COC(=O)CCCCC(=O)NCCO 527a_100000210304_100000695723 [0,2,0,0,0,0|1,0,1]=4 16738 B13R0.113 COC(=O)CCCCN(C)CCC#N 2230a_100000184479_100000204269 [0,2,0,0,0,0|1,0,1]=4 16739 B13R0.113 COC(=O)CCCCN(C)CCCO 2230a_100000213112_100000204269 [0,2,0,0,0,0|1,0,0]=3 16740 B13R0.113 COC(=O)CCCCN(C)CCCO 269982a_100000213112_100000204269 [0,2,0,0,0,0|1,0,0]=3 16741 B13R0.113 COC(=O)CCCCN(C)CCSC 2230a_100000686725_100000204269 [0,2,0,0,0,0|1,0,0]=3 16742 B13R0.113 COC(=O)CCCCN(C)CCSC 269982a_100000686725_100000204269 [0,2,0,0,0,0|1,0,0]=3 16743 B13R0.113 COC(=O)CCCNC(=O)CCSC 188690a_100000184769_100000174002 [0,2,0,0,0,0|1,0,1]=4 16744 B13R0.113 COC(=O)CCCOC(C)CCCCl 34a_200000718107_100000742333 [0,2,0,0,0,0|1,0,0]=3 16745 B13R0.113 COC(=O)CCCOC(C)CCCCl 7a_200000718107_100011218270 [0,2,0,0,0,0|1,0,0]=3 16746 B13R0.113 COC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100000204255 [0,2,0,0,0,0|1,0,0]=3 16747 B13R0.113 COC(=O)CCNC[C@H](C)CCCO 34a_100160569302_100000742370 [0,2,0,0,0,0|1,0,0]=3 16748 B13R0.113 COC(=O)CCOC[C@@H](N)CCSC 34a_100011827619_100000742370 [0,2,0,0,0,0|1,0,0]=3 16749 B13R0.113 COC(=O)COCCC(=O)CCSC 1458a_100000174002_100000090808 [0,2,0,0,0,0|1,0,1]=4 16750 B13R0.113 COC(=O)COCCN(C)CCCO 2230a_100000213112_100000090808 [0,2,0,0,0,0|2,0,0]=4 16751 B13R0.113 COC(=O)COCCN(C)CCSC 2230a_100000686725_100000090808 [0,2,0,0,0,0|2,0,0]=4 16752 B13R0.113 COC(=O)NCCCC(=O)CCCF 1458a_100000753017_100011934791 [0,2,0,0,0,0|1,0,1]=4 16753 B13R0.113 COC(=O)NCCCC(=O)CCCO 1458a_100000753017_100011215043 [0,2,0,0,0,0|1,0,1]=4 16754 B13R0.113 COC(=O)NCCCC(=O)CCSC 1458a_100000753017_100000751147 [0,2,0,0,0,0|1,0,1]=4 16755 B13R0.113 COCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000233755 [0,2,0,0,0,0|0,0,1]=3 16756 B13R0.113 COCCC(=O)CCCCC(=O)OC 1458a_100000749529_100000204269 [0,2,0,0,0,0|0,0,1]=3 16757 B13R0.113 COCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000233755 [0,2,0,0,0,0|1,0,1]=4 16758 B13R0.113 COCCC(=O)CCOCC(=O)OC 1458a_100000749529_100000090808 [0,2,0,0,0,0|1,0,1]=4 16759 B13R0.113 COCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000749529 [0,2,0,0,0,0|1,0,1]=4 16760 B13R0.113 COCCN(C)CCCCC(=O)OC 2230a_100000743101_100000204269 [0,2,0,0,0,0|1,0,0]=3 16761 B13R0.113 COCCN(C)CCCCC(=O)OC 269982a_100000743101_100000204269 [0,2,0,0,0,0|1,0,0]=3 16762 B13R0.113 COCCN(C)CCOCC(=O)OC 2230a_100000743101_100000090808 [0,2,0,0,0,0|2,0,0]=4 16763 B13R0.113 COCO[C@H](C)COCCC(=O)OC 34a_100016172286_100000742370 [0,2,0,0,0,0|2,0,0]=4 16764 B13R0.113 COCO[C@H](C)COCCC(=O)OC 7a_100016172286_100000204255 [0,2,0,0,0,0|2,0,0]=4 16765 B13R0.147 C#CC(=O)CCCCCCC#CCC 1458a_100000211873_200000036426 [0,2,0,0,0,0|1,0,1]=4 16766 B13R0.147 C#CC(=O)CCCCCCCCC=C 1458a_100000211873_100011933949 [0,2,0,0,0,0|1,0,1]=4 16767 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,2,0,0,0,0|1,0,1]=4 16768 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [0,2,0,0,0,0|1,0,1]=4 16769 B13R0.147 C#CCCCCCCCCC(=O)CC 1458a_100000029693_100000210202 [0,2,0,0,0,0|1,0,0]=3 16770 B13R0.147 C#CCCCCCCCCC(=O)CF 1458a_100000029693_100015361967 [0,2,0,0,0,0|2,0,0]=4 16771 B13R0.147 C#CCCCCCCCCC(=O)NC 11a_106832991635_100000029693 [0,2,0,0,0,0|1,0,0]=3 16772 B13R0.147 C#CCCCCCCCCC(=O)NC 1626a_100102657272_100000029693 [0,2,0,0,0,0|1,0,0]=3 16773 B13R0.147 C#CCCCCCCCCC(=O)NC 240690a_100102657272_100000029693 [0,2,0,0,0,0|1,0,0]=3 16774 B13R0.147 C#CCCCCCCCCC(=O)NC 527a_100102657272_100000029693 [0,2,0,0,0,0|1,0,0]=3 16775 B13R0.147 C#CCCCCCCNCC(=O)NC 2230a_100000693194_100012276617 [0,2,0,0,0,0|1,0,1]=4 16776 B13R0.147 C#CCCCCCCOCC(=O)CC 34a_100000725409_100012276617 [0,2,0,0,0,0|1,0,1]=4 16777 B13R0.147 C#CCCCCCCOCC(=O)CC 7a_100011217361_100000747405 [0,2,0,0,0,0|1,0,1]=4 16778 B13R0.147 C#CCCCCCCOCC(=O)NC 34a_100000750040_100012276617 [0,2,0,0,0,0|1,0,1]=4 16779 B13R0.147 C#CCCCCCCOCC(=O)NC 34a_100011217361_100000183359 [0,2,0,0,0,0|1,0,1]=4 16780 B13R0.147 C#CCCCCCCOCC(=O)NC 7a_100011217361_100000183359 [0,2,0,0,0,0|1,0,1]=4 16781 B13R0.147 C#CCCCCCCOCC(=O)OC 34a_100011217361_100000747449 [0,2,0,0,0,0|0,0,1]=3 16782 B13R0.147 C#CCCCCCCOCC(=O)OC 7a_100011217361_100000747449 [0,2,0,0,0,0|0,0,1]=3 16783 B13R0.147 C#CCCCCCCSCC(=O)CC 62a_100000747405_100012276617 [0,2,0,0,0,0|1,0,1]=4 16784 B13R0.147 C#CCCCCCCSCC(=O)CC 62a_100012276617_100000747405 [0,2,0,0,0,0|1,0,1]=4 16785 B13R0.147 C#CCCCCCCSCC(=O)NC 62a_100000183359_100012276617 [0,2,0,0,0,0|1,0,1]=4 16786 B13R0.147 C#CCCCCCCSCC(=O)NC 62a_100012276617_100000183359 [0,2,0,0,0,0|1,0,1]=4 16787 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100000747449_100012276617 [0,2,0,0,0,0|0,0,1]=3 16788 B13R0.147 C#CCCCCCCSCC(=O)OC 62a_100012276617_100000747449 [0,2,0,0,0,0|0,0,1]=3 16789 B13R0.147 C#CCCCCCNCCC(=O)NC 2230a_100000738227_100012094781 [0,2,0,0,0,0|1,0,1]=4 16790 B13R0.147 C#CCCCCCNCCC(=O)NC 34a_100000738227_100012094781 [0,2,0,0,0,0|1,0,1]=4 16791 B13R0.147 C#CCCCCCOCCC(=O)NC 34a_100000754576_100012094781 [0,2,0,0,0,0|1,0,1]=4 16792 B13R0.147 C#CCCCCCOCCC(=O)NC 34a_100000766912_100012179268 [0,2,0,0,0,0|1,0,1]=4 16793 B13R0.147 C#CCCCCCOCCC(=O)NC 7a_100000766912_100000737683 [0,2,0,0,0,0|1,0,1]=4 16794 B13R0.147 C#CCCCCCOCCC(=O)OC 34a_100000766912_100000742370 [0,2,0,0,0,0|0,0,1]=3 16795 B13R0.147 C#CCCCCCOCCC(=O)OC 7a_100000766912_100000204255 [0,2,0,0,0,0|0,0,1]=3 16796 B13R0.147 C#CCCCCCSCCC(=O)NC 62a_100000737683_100012094781 [0,2,0,0,0,0|1,0,1]=4 16797 B13R0.147 C#CCCCCCSCCC(=O)NC 62a_100012094781_100000737683 [0,2,0,0,0,0|1,0,1]=4 16798 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100000204255_100012094781 [0,2,0,0,0,0|0,0,1]=3 16799 B13R0.147 C#CCCCCCSCCC(=O)OC 62a_100012094781_100000204255 [0,2,0,0,0,0|0,0,1]=3 16800 B13R0.147 C#CCCCCCSCOC(=O)OC 62a_100012094781_100000139417 [0,2,0,0,0,0|0,0,2]=4 16801 B13R0.147 C#CCCCCNCCCC(=O)NC 2230a_100000706060_100000741757 [0,2,0,0,0,0|1,0,1]=4 16802 B13R0.147 C#CCCCCNCCCC(=O)NC 2230a_100000740002_100010269958 [0,2,0,0,0,0|1,0,1]=4 16803 B13R0.147 C#CCCCCNCCCC(=O)NC 34a_100000706060_100000741757 [0,2,0,0,0,0|1,0,1]=4 16804 B13R0.147 C#CCCCCNCCCC(=O)NC 34a_100000740002_100010269958 [0,2,0,0,0,0|1,0,1]=4 16805 B13R0.147 C#CCCCCNCCCC(=O)OC 2230a_100000706060_100011218270 [0,2,0,0,0,0|0,0,1]=3 16806 B13R0.147 C#CCCCCNCCCC(=O)OC 34a_100000706060_100000742333 [0,2,0,0,0,0|0,0,1]=3 16807 B13R0.147 C#CCCCCOCCCC(=O)NC 34a_100000766709_100000741757 [0,2,0,0,0,0|1,0,1]=4 16808 B13R0.147 C#CCCCCOCCCC(=O)NC 7a_100000766709_100000741757 [0,2,0,0,0,0|1,0,1]=4 16809 B13R0.147 C#CCCCCOCCCC(=O)OC 34a_100000766709_100000742333 [0,2,0,0,0,0|0,0,1]=3 16810 B13R0.147 C#CCCCCOCCCC(=O)OC 7a_100000766709_100011218270 [0,2,0,0,0,0|0,0,1]=3 16811 B13R0.147 C#CCCCCOCCNC(=O)OC 34a_100000757965_100010269958 [0,2,0,0,0,0|0,0,2]=4 16812 B13R0.147 C#CCCCCOCCOC(=O)OC 34a_100010262106_100010269958 [0,2,0,0,0,0|0,0,2]=4 16813 B13R0.147 C#CCCCCSCCCC(=O)NC 62a_100000741757_100010269958 [0,2,0,0,0,0|1,0,1]=4 16814 B13R0.147 C#CCCCCSCCCC(=O)NC 62a_100010269958_100000741757 [0,2,0,0,0,0|1,0,1]=4 16815 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100010269958_100011218270 [0,2,0,0,0,0|0,0,1]=3 16816 B13R0.147 C#CCCCCSCCCC(=O)OC 62a_100011218270_100010269958 [0,2,0,0,0,0|0,0,1]=3 16817 B13R0.147 C#CCCCNCCCCC(=O)OC 34a_100000718082_100000204269 [0,2,0,0,0,0|0,0,1]=3 16818 B13R0.147 C#CCCCNCCOCC(=O)OC 34a_100000718082_100000090808 [0,2,0,0,0,0|0,0,2]=4 16819 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000059025_100000695029 [0,2,0,0,0,0|0,0,1]=3 16820 B13R0.147 C#CCCCOCCCCC(=O)OC 34a_100000215630_100000204269 [0,2,0,0,0,0|0,0,1]=3 16821 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000059025_100011215417 [0,2,0,0,0,0|0,0,1]=3 16822 B13R0.147 C#CCCCOCCCCC(=O)OC 7a_100000215630_100000204269 [0,2,0,0,0,0|0,0,1]=3 16823 B13R0.147 C#CCCCOCCOCC(=O)OC 34a_100000215630_100000090808 [0,2,0,0,0,0|0,0,2]=4 16824 B13R0.147 C#CCCCOCCOCC(=O)OC 7a_100000215630_100000090808 [0,2,0,0,0,0|0,0,2]=4 16825 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100000204269_100011215417 [0,2,0,0,0,0|0,0,1]=3 16826 B13R0.147 C#CCCCSCCCCC(=O)OC 62a_100011215417_100000204269 [0,2,0,0,0,0|0,0,1]=3 16827 B13R0.147 C#CCCCSCCOCC(=O)OC 62a_100000090808_100011215417 [0,2,0,0,0,0|0,0,2]=4 16828 B13R0.147 C#CCCCSCCOCC(=O)OC 62a_100011215417_100000090808 [0,2,0,0,0,0|0,0,2]=4 16829 B13R0.147 C#CCCNCCCCCC(=O)OC 34a_100000755551_100009816466 [0,2,0,0,0,0|0,0,1]=3 16830 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100000074720_100000688953 [0,2,0,0,0,0|0,0,1]=3 16831 B13R0.147 C#CCCOCCCCCC(=O)OC 34a_100011215631_100009816466 [0,2,0,0,0,0|0,0,1]=3 16832 B13R0.147 C#CCCOCCCCCC(=O)OC 7a_100000074720_100000688953 [0,2,0,0,0,0|0,0,1]=3 16833 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100000688953_100009816466 [0,2,0,0,0,0|0,0,1]=3 16834 B13R0.147 C#CCCSCCCCCC(=O)OC 62a_100009816466_100000688953 [0,2,0,0,0,0|0,0,1]=3 16835 B13R0.147 C#CCNCCCCCCC(=O)OC 34a_100000212058_100009815986 [0,2,0,0,0,0|0,0,1]=3 16836 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100000210247_100009815986 [0,2,0,0,0,0|0,0,1]=3 16837 B13R0.147 C#CCOCCCCCCC(=O)OC 34a_100009863599_100000184674 [0,2,0,0,0,0|0,0,1]=3 16838 B13R0.147 C#CCOCCCCCCC(=O)OC 7a_100009863599_100000038162 [0,2,0,0,0,0|0,0,1]=3 16839 B13R0.147 C#CCOCCNCCCC(=O)OC 2230a_100000700922_100011218270 [0,2,0,0,0,0|0,0,2]=4 16840 B13R0.147 C#CCOCCNCCCC(=O)OC 34a_100000700922_100000742333 [0,2,0,0,0,0|0,0,2]=4 16841 B13R0.147 C#CCOCCOCCCC(=O)OC 34a_100000054580_100000742333 [0,2,0,0,0,0|0,0,2]=4 16842 B13R0.147 C#CCOCCOCCCC(=O)OC 7a_100000054580_100011218270 [0,2,0,0,0,0|0,0,2]=4 16843 B13R0.147 C#CCOCCSCCCC(=O)OC 62a_100010402529_100011218270 [0,2,0,0,0,0|0,0,2]=4 16844 B13R0.147 C#CCOCCSCCCC(=O)OC 62a_100011218270_100010402529 [0,2,0,0,0,0|0,0,2]=4 16845 B13R0.147 C#CCSCCCCCCC(=O)OC 62a_100000038162_100009815986 [0,2,0,0,0,0|0,0,1]=3 16846 B13R0.147 C/C=C/CCOCCCCC(=O)OC 34a_100016278192_100000204269 [0,2,0,0,0,0|0,0,1]=3 16847 B13R0.147 C/C=C/CCOCCOCC(=O)OC 34a_100016278192_100000090808 [0,2,0,0,0,0|0,0,2]=4 16848 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100000074720_100102629194 [0,2,0,0,0,0|0,0,1]=3 16849 B13R0.147 C/C=C/COCCCCCC(=O)OC 34a_100016270725_100009816466 [0,2,0,0,0,0|0,0,1]=3 16850 B13R0.147 C/C=C/COCCCCCC(=O)OC 7a_100000074720_100102629194 [0,2,0,0,0,0|0,0,1]=3 16851 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100009816466_100102629194 [0,2,0,0,0,0|0,0,1]=3 16852 B13R0.147 C/C=C/CSCCCCCC(=O)OC 62a_100102629194_100009816466 [0,2,0,0,0,0|0,0,1]=3 16853 B13R0.147 C=CC(=O)CCCCCCC#CCC 1458a_100000185746_200000036426 [0,2,0,0,0,0|1,0,1]=4 16854 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,2,0,0,0,0|1,0,1]=4 16855 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,2,0,0,0,0|1,0,1]=4 16856 B13R0.147 C=CC(=O)NCCCCCCCCC 1626a_100000212291_100000185746 [0,2,0,0,0,0|1,0,1]=4 16857 B13R0.147 C=CC(=O)NCCCCCCCCC 240690a_100000212291_200121576911 [0,2,0,0,0,0|1,0,1]=4 16858 B13R0.147 C=CC(=O)NCCCCCCCCO 240690a_102515433106_200121576911 [0,2,0,0,0,0|1,0,1]=4 16859 B13R0.147 C=CC(=O)NCCCCOCCCC 34a_100014118770_100000210210 [0,2,0,0,0,0|1,0,1]=4 16860 B13R0.147 C=CC(=O)NCCNCCCCCC 2230a_114873766552_100000210314 [0,2,0,0,0,0|1,0,1]=4 16861 B13R0.147 C=CC(=O)NCCOCCCCCC 34a_100011304386_100000210314 [0,2,0,0,0,0|1,0,1]=4 16862 B13R0.147 C=CC(=O)OCCCCCCNCC 2230a_100015525214_100009894100 [0,2,0,0,0,0|1,0,1]=4 16863 B13R0.147 C=CC(=O)OCCCCCCOCC 34a_100121572206_100009894100 [0,2,0,0,0,0|1,0,1]=4 16864 B13R0.147 C=CC(=O)OCCCCCCSCC 62a_100000210202_100009894100 [0,2,0,0,0,0|1,0,1]=4 16865 B13R0.147 C=CC(=O)OCCCCCCSCC 62a_100009894100_100000210202 [0,2,0,0,0,0|1,0,1]=4 16866 B13R0.147 C=CC(=O)OCCCCCOCCC 7a_200011023508_100000210303 [0,2,0,0,0,0|1,0,1]=4 16867 B13R0.147 C=CC(=O)OCCNCCCCCC 2230a_100000210581_100009813456 [0,2,0,0,0,0|1,0,1]=4 16868 B13R0.147 C=CC(=O)OCCOCCCCCC 34a_100000210259_100009813456 [0,2,0,0,0,0|1,0,1]=4 16869 B13R0.147 C=CC(=O)OCCOCCCCCC 7a_100000210259_100009813456 [0,2,0,0,0,0|1,0,1]=4 16870 B13R0.147 C=CC(=O)OCCSCCCCCC 62a_100000210314_100009813456 [0,2,0,0,0,0|1,0,1]=4 16871 B13R0.147 C=CC(=O)OCCSCCCCCC 62a_100009813456_100000210757 [0,2,0,0,0,0|1,0,1]=4 16872 B13R0.147 C=CCCCCCCCCC(=O)C=C 1458a_100000185746_100011933949 [0,2,0,0,0,0|1,0,1]=4 16873 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,2,0,0,0,0|1,0,0]=3 16874 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,2,0,0,0,0|1,0,0]=3 16875 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [0,2,0,0,0,0|2,0,0]=4 16876 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,2,0,0,0,0|2,0,0]=4 16877 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [0,2,0,0,0,0|1,0,0]=3 16878 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [0,2,0,0,0,0|1,0,0]=3 16879 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [0,2,0,0,0,0|1,0,0]=3 16880 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [0,2,0,0,0,0|1,0,0]=3 16881 B13R0.147 C=CCCCCCCNCC(=O)NC 2230a_100000693194_100011215473 [0,2,0,0,0,0|1,0,1]=4 16882 B13R0.147 C=CCCCCCCOCC(=O)CC 34a_100000725409_100011215473 [0,2,0,0,0,0|1,0,1]=4 16883 B13R0.147 C=CCCCCCCOCC(=O)CC 7a_200011216477_100000747405 [0,2,0,0,0,0|1,0,1]=4 16884 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_100000750040_100011215473 [0,2,0,0,0,0|1,0,1]=4 16885 B13R0.147 C=CCCCCCCOCC(=O)NC 34a_200011216477_100000183359 [0,2,0,0,0,0|1,0,1]=4 16886 B13R0.147 C=CCCCCCCOCC(=O)NC 7a_200011216477_100000183359 [0,2,0,0,0,0|1,0,1]=4 16887 B13R0.147 C=CCCCCCCOCC(=O)OC 34a_200011216477_100000747449 [0,2,0,0,0,0|0,0,1]=3 16888 B13R0.147 C=CCCCCCCOCC(=O)OC 7a_200011216477_100000747449 [0,2,0,0,0,0|0,0,1]=3 16889 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100000747405_100011215473 [0,2,0,0,0,0|1,0,1]=4 16890 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100011215473_100000747405 [0,2,0,0,0,0|1,0,1]=4 16891 B13R0.147 C=CCCCCCCSCC(=O)NC 62a_100000183359_100011215473 [0,2,0,0,0,0|1,0,1]=4 16892 B13R0.147 C=CCCCCCCSCC(=O)NC 62a_100011215473_100000183359 [0,2,0,0,0,0|1,0,1]=4 16893 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100000747449_100011215473 [0,2,0,0,0,0|0,0,1]=3 16894 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100011215473_100000747449 [0,2,0,0,0,0|0,0,1]=3 16895 B13R0.147 C=CCCCCCNCCC(=O)NC 2230a_100000738227_100000700193 [0,2,0,0,0,0|1,0,1]=4 16896 B13R0.147 C=CCCCCCNCCC(=O)NC 34a_100000738227_100000700193 [0,2,0,0,0,0|1,0,1]=4 16897 B13R0.147 C=CCCCCCOCCC(=O)NC 34a_100000754576_100000700193 [0,2,0,0,0,0|1,0,1]=4 16898 B13R0.147 C=CCCCCCOCCC(=O)NC 34a_100011216702_100012179268 [0,2,0,0,0,0|1,0,1]=4 16899 B13R0.147 C=CCCCCCOCCC(=O)NC 7a_100011216702_100000737683 [0,2,0,0,0,0|1,0,1]=4 16900 B13R0.147 C=CCCCCCOCCC(=O)OC 34a_100011216702_100000742370 [0,2,0,0,0,0|0,0,1]=3 16901 B13R0.147 C=CCCCCCOCCC(=O)OC 7a_100011216702_100000204255 [0,2,0,0,0,0|0,0,1]=3 16902 B13R0.147 C=CCCCCCSCCC(=O)NC 62a_100000700193_100000737683 [0,2,0,0,0,0|1,0,1]=4 16903 B13R0.147 C=CCCCCCSCCC(=O)NC 62a_100000737683_100000700193 [0,2,0,0,0,0|1,0,1]=4 16904 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000204255_100000700193 [0,2,0,0,0,0|0,0,1]=3 16905 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000700193_100000204255 [0,2,0,0,0,0|0,0,1]=3 16906 B13R0.147 C=CCCCCCSCOC(=O)OC 62a_100000700193_100000139417 [0,2,0,0,0,0|0,0,2]=4 16907 B13R0.147 C=CCCCCNCCCC(=O)NC 2230a_100000703577_100000741757 [0,2,0,0,0,0|1,0,1]=4 16908 B13R0.147 C=CCCCCNCCCC(=O)NC 2230a_100000740002_100011215482 [0,2,0,0,0,0|1,0,1]=4 16909 B13R0.147 C=CCCCCNCCCC(=O)NC 34a_100000703577_100000741757 [0,2,0,0,0,0|1,0,1]=4 16910 B13R0.147 C=CCCCCNCCCC(=O)NC 34a_100000740002_100011215482 [0,2,0,0,0,0|1,0,1]=4 16911 B13R0.147 C=CCCCCNCCCC(=O)OC 2230a_100000703577_100011218270 [0,2,0,0,0,0|0,0,1]=3 16912 B13R0.147 C=CCCCCNCCCC(=O)OC 34a_100000703577_100000742333 [0,2,0,0,0,0|0,0,1]=3 16913 B13R0.147 C=CCCCCOCCCC(=O)NC 34a_100000766645_100000741757 [0,2,0,0,0,0|1,0,1]=4 16914 B13R0.147 C=CCCCCOCCCC(=O)NC 7a_100000766645_100000741757 [0,2,0,0,0,0|1,0,1]=4 16915 B13R0.147 C=CCCCCOCCCC(=O)OC 34a_100000766645_100000742333 [0,2,0,0,0,0|0,0,1]=3 16916 B13R0.147 C=CCCCCOCCCC(=O)OC 7a_100000766645_100011218270 [0,2,0,0,0,0|0,0,1]=3 16917 B13R0.147 C=CCCCCOCCNC(=O)OC 34a_100000757965_100011215482 [0,2,0,0,0,0|0,0,2]=4 16918 B13R0.147 C=CCCCCOCCOC(=O)OC 34a_100010262106_100011215482 [0,2,0,0,0,0|0,0,2]=4 16919 B13R0.147 C=CCCCCSCCCC(=O)NC 62a_100000741757_100011215482 [0,2,0,0,0,0|1,0,1]=4 16920 B13R0.147 C=CCCCCSCCCC(=O)NC 62a_100011215482_100000741757 [0,2,0,0,0,0|1,0,1]=4 16921 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011215482_100011218270 [0,2,0,0,0,0|0,0,1]=3 16922 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011218270_100011215482 [0,2,0,0,0,0|0,0,1]=3 16923 B13R0.147 C=CCCCNCCCCC(=O)OC 2230a_100000700776_100000204269 [0,2,0,0,0,0|0,0,1]=3 16924 B13R0.147 C=CCCCNCCCCC(=O)OC 34a_100000700776_100000204269 [0,2,0,0,0,0|0,0,1]=3 16925 B13R0.147 C=CCCCNCCOCC(=O)OC 2230a_100000700776_100000090808 [0,2,0,0,0,0|0,0,2]=4 16926 B13R0.147 C=CCCCNCCOCC(=O)OC 34a_100000700776_100000090808 [0,2,0,0,0,0|0,0,2]=4 16927 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000059025_100000757094 [0,2,0,0,0,0|0,0,1]=3 16928 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000758997_100000204269 [0,2,0,0,0,0|0,0,1]=3 16929 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000059025_100000757094 [0,2,0,0,0,0|0,0,1]=3 16930 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000758997_100000204269 [0,2,0,0,0,0|0,0,1]=3 16931 B13R0.147 C=CCCCOCCOCC(=O)OC 34a_100000758997_100000090808 [0,2,0,0,0,0|0,0,2]=4 16932 B13R0.147 C=CCCCOCCOCC(=O)OC 7a_100000758997_100000090808 [0,2,0,0,0,0|0,0,2]=4 16933 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100000204269_100000757094 [0,2,0,0,0,0|0,0,1]=3 16934 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100011713584_100000204269 [0,2,0,0,0,0|0,0,1]=3 16935 B13R0.147 C=CCCCSCCOCC(=O)OC 62a_100000090808_100000757094 [0,2,0,0,0,0|0,0,2]=4 16936 B13R0.147 C=CCCCSCCOCC(=O)OC 62a_100011713584_100000090808 [0,2,0,0,0,0|0,0,2]=4 16937 B13R0.147 C=CCCNCCCCCC(=O)OC 2230a_100015191253_100009816466 [0,2,0,0,0,0|0,0,1]=3 16938 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100000074720_100000754431 [0,2,0,0,0,0|0,0,1]=3 16939 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100011205117_100009816466 [0,2,0,0,0,0|0,0,1]=3 16940 B13R0.147 C=CCCOCCCCCC(=O)OC 7a_100000074720_100000754431 [0,2,0,0,0,0|0,0,1]=3 16941 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100000754431_100009816466 [0,2,0,0,0,0|0,0,1]=3 16942 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100009816466_100000754431 [0,2,0,0,0,0|0,0,1]=3 16943 B13R0.147 C=CCNCCCCCCC(=O)OC 2230a_100020586998_100009815986 [0,2,0,0,0,0|0,0,1]=3 16944 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_100009863599_100015514636 [0,2,0,0,0,0|0,0,1]=3 16945 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_200000210373_100009815986 [0,2,0,0,0,0|0,0,1]=3 16946 B13R0.147 C=CCOCCCCCCC(=O)OC 7a_100009863599_100015514636 [0,2,0,0,0,0|0,0,1]=3 16947 B13R0.147 C=CCOCCOCCCC(=O)OC 34a_100000037705_100000742333 [0,2,0,0,0,0|0,0,2]=4 16948 B13R0.147 C=CCOCCOCCCC(=O)OC 7a_100000037705_100011218270 [0,2,0,0,0,0|0,0,2]=4 16949 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100000210623_100009815986 [0,2,0,0,0,0|0,0,1]=3 16950 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100009815986_100000210623 [0,2,0,0,0,0|0,0,1]=3 16951 B13R0.147 C=COCCCCOCCC(=O)OC 34a_100000031558_100000742370 [0,2,0,0,0,0|0,0,2]=4 16952 B13R0.147 C=COCCCCOCCC(=O)OC 7a_100000031558_100000204255 [0,2,0,0,0,0|0,0,2]=4 16953 B13R0.147 C=COCCCNCCCC(=O)OC 2230a_100000210767_100011218270 [0,2,0,0,0,0|0,0,2]=4 16954 B13R0.147 C=COCCCNCCCC(=O)OC 34a_100000210767_100000742333 [0,2,0,0,0,0|0,0,2]=4 16955 B13R0.147 C=COCCOCCCCC(=O)OC 34a_100000033082_100000204269 [0,2,0,0,0,0|0,0,2]=4 16956 B13R0.147 C=COCCOCCCCC(=O)OC 34a_100000059025_100000039644 [0,2,0,0,0,0|0,0,2]=4 16957 B13R0.147 C=COCCOCCCCC(=O)OC 7a_100000059025_100000039644 [0,2,0,0,0,0|0,0,2]=4 16958 B13R0.147 C=COCCSCCCCC(=O)OC 62a_100000039644_100000204269 [0,2,0,0,0,0|0,0,2]=4 16959 B13R0.147 C=COCCSCCCCC(=O)OC 62a_100000204269_100000039644 [0,2,0,0,0,0|0,0,2]=4 16960 B13R0.147 CC#CCCCCCCCC(=O)CC 1458a_100000066323_100000210202 [0,2,0,0,0,0|1,0,0]=3 16961 B13R0.147 CC#CCCCCCCCC(=O)CF 1458a_100000066323_100015361967 [0,2,0,0,0,0|2,0,0]=4 16962 B13R0.147 CC#CCCCCCCCC(=O)NC 11a_106832991635_100000066323 [0,2,0,0,0,0|1,0,0]=3 16963 B13R0.147 CC#CCCCCCCCC(=O)NC 1626a_100102657272_100000066323 [0,2,0,0,0,0|1,0,0]=3 16964 B13R0.147 CC#CCCCCCCCC(=O)NC 240690a_100102657272_100000066323 [0,2,0,0,0,0|1,0,0]=3 16965 B13R0.147 CC#CCCCCCCCC(=O)NC 527a_100102657272_100000066323 [0,2,0,0,0,0|1,0,0]=3 16966 B13R0.147 CC#CCCOCCCCC(=O)OC 34a_100000750427_100000204269 [0,2,0,0,0,0|0,0,1]=3 16967 B13R0.147 CC#CCCOCCOCC(=O)OC 34a_100000750427_100000090808 [0,2,0,0,0,0|0,0,2]=4 16968 B13R0.147 CC#CCNCCCCCC(=O)OC 2230a_100000685387_100009816466 [0,2,0,0,0,0|0,0,1]=3 16969 B13R0.147 CC#CCNCCCCCC(=O)OC 34a_100000685387_100009816466 [0,2,0,0,0,0|0,0,1]=3 16970 B13R0.147 CC#CCOCCCCCC(=O)OC 34a_100000074720_100000748600 [0,2,0,0,0,0|0,0,1]=3 16971 B13R0.147 CC#CCOCCCCCC(=O)OC 34a_100000761923_100009816466 [0,2,0,0,0,0|0,0,1]=3 16972 B13R0.147 CC#CCOCCCCCC(=O)OC 7a_100000074720_100000748600 [0,2,0,0,0,0|0,0,1]=3 16973 B13R0.147 CC#CCSCCCCCC(=O)OC 62a_100000748600_100009816466 [0,2,0,0,0,0|0,0,1]=3 16974 B13R0.147 CC#CCSCCCCCC(=O)OC 62a_100009816466_100000748600 [0,2,0,0,0,0|0,0,1]=3 16975 B13R0.147 CC/C=C/CCCOCCC(=O)NC 34a_100016287902_100012179268 [0,2,0,0,0,0|1,0,1]=4 16976 B13R0.147 CC/C=C/CCCOCCC(=O)NC 7a_100016287902_100000737683 [0,2,0,0,0,0|1,0,1]=4 16977 B13R0.147 CC/C=C/CCCOCCC(=O)OC 34a_100016287902_100000742370 [0,2,0,0,0,0|0,0,1]=3 16978 B13R0.147 CC/C=C/CCCOCCC(=O)OC 7a_100016287902_100000204255 [0,2,0,0,0,0|0,0,1]=3 16979 B13R0.147 CC/C=C\CCCCOCC(=O)CC 7a_100016287862_100000747405 [0,2,0,0,0,0|1,0,1]=4 16980 B13R0.147 CC/C=C\CCCCOCC(=O)NC 34a_100016287862_100000183359 [0,2,0,0,0,0|1,0,1]=4 16981 B13R0.147 CC/C=C\CCCCOCC(=O)NC 7a_100016287862_100000183359 [0,2,0,0,0,0|1,0,1]=4 16982 B13R0.147 CC/C=C\CCCCOCC(=O)OC 34a_100016287862_100000747449 [0,2,0,0,0,0|0,0,1]=3 16983 B13R0.147 CC/C=C\CCCCOCC(=O)OC 7a_100016287862_100000747449 [0,2,0,0,0,0|0,0,1]=3 16984 B13R0.147 CC/C=C\CCNCCCC(=O)NC 2230a_100000740002_100015370543 [0,2,0,0,0,0|1,0,1]=4 16985 B13R0.147 CC/C=C\CCNCCCC(=O)NC 34a_100000740002_100015370543 [0,2,0,0,0,0|1,0,1]=4 16986 B13R0.147 CC/C=C\CCOCCCC(=O)NC 34a_100016288707_100000741757 [0,2,0,0,0,0|1,0,1]=4 16987 B13R0.147 CC/C=C\CCOCCCC(=O)NC 7a_100016288707_100000741757 [0,2,0,0,0,0|1,0,1]=4 16988 B13R0.147 CC/C=C\CCOCCCC(=O)OC 34a_100016288707_100000742333 [0,2,0,0,0,0|0,0,1]=3 16989 B13R0.147 CC/C=C\CCOCCCC(=O)OC 7a_100016288707_100011218270 [0,2,0,0,0,0|0,0,1]=3 16990 B13R0.147 CC/C=C\CCOCCNC(=O)OC 34a_100000757965_100015370543 [0,2,0,0,0,0|0,0,2]=4 16991 B13R0.147 CC/C=C\CCOCCOC(=O)OC 34a_100010262106_100015370543 [0,2,0,0,0,0|0,0,2]=4 16992 B13R0.147 CC/C=C\CCSCCCC(=O)NC 62a_100000741757_100015370543 [0,2,0,0,0,0|1,0,1]=4 16993 B13R0.147 CC/C=C\CCSCCCC(=O)NC 62a_100015370543_100000741757 [0,2,0,0,0,0|1,0,1]=4 16994 B13R0.147 CC/C=C\CCSCCCC(=O)OC 62a_100011218270_100015370543 [0,2,0,0,0,0|0,0,1]=3 16995 B13R0.147 CC/C=C\CCSCCCC(=O)OC 62a_100015370543_100011218270 [0,2,0,0,0,0|0,0,1]=3 16996 B13R0.147 CC/C=C\COCCCCC(=O)OC 34a_100000059025_100103147603 [0,2,0,0,0,0|0,0,1]=3 16997 B13R0.147 CC/C=C\COCCCCC(=O)OC 34a_100016268518_100000204269 [0,2,0,0,0,0|0,0,1]=3 16998 B13R0.147 CC/C=C\COCCCCC(=O)OC 7a_100000059025_100103147603 [0,2,0,0,0,0|0,0,1]=3 16999 B13R0.147 CC/C=C\COCCOCC(=O)OC 34a_100016268518_100000090808 [0,2,0,0,0,0|0,0,2]=4 17000 B13R0.147 CC/C=C\CSCCCCC(=O)OC 62a_100000204269_100103147603 [0,2,0,0,0,0|0,0,1]=3 17001 B13R0.147 CC/C=C\CSCCCCC(=O)OC 62a_100103147603_100000204269 [0,2,0,0,0,0|0,0,1]=3 17002 B13R0.147 CC/C=C\CSCCOCC(=O)OC 62a_100000090808_100103147603 [0,2,0,0,0,0|0,0,2]=4 17003 B13R0.147 CC/C=C\CSCCOCC(=O)OC 62a_100103147603_100000090808 [0,2,0,0,0,0|0,0,2]=4 17004 B13R0.147 CC=C=CCCOCCCC(=O)OC 34a_100011020354_100000742333 [0,2,0,0,0,0|0,0,2]=4 17005 B13R0.147 CC=CCCCOCCCC(=O)NC 34a_100020645299_100000741757 [0,2,0,0,0,0|1,0,1]=4 17006 B13R0.147 CC=CCCCOCCCC(=O)OC 34a_100020645299_100000742333 [0,2,0,0,0,0|0,0,1]=3 17007 B13R0.147 CC=CCOCCCCCC(=O)OC 34a_100000074720_100000070051 [0,2,0,0,0,0|0,0,1]=3 17008 B13R0.147 CC=CCOCCCCCC(=O)OC 7a_100000074720_100000070051 [0,2,0,0,0,0|0,0,1]=3 17009 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100000070051_100009816466 [0,2,0,0,0,0|0,0,1]=3 17010 B13R0.147 CC=CCSCCCCCC(=O)OC 62a_100009816466_100000070051 [0,2,0,0,0,0|0,0,1]=3 17011 B13R0.147 CCC#CCCCCCCC(=O)CC 1458a_100000210414_200000036426 [0,2,0,0,0,0|1,0,0]=3 17012 B13R0.147 CCC#CCCCCCCC(=O)CO 1458a_100000210174_200000036426 [0,2,0,0,0,0|2,0,0]=4 17013 B13R0.147 CCC#CCCOCCCC(=O)NC 34a_100000036655_100000741757 [0,2,0,0,0,0|1,0,1]=4 17014 B13R0.147 CCC#CCCOCCCC(=O)NC 7a_100000036655_100000741757 [0,2,0,0,0,0|1,0,1]=4 17015 B13R0.147 CCC#CCCOCCCC(=O)OC 34a_100000036655_100000742333 [0,2,0,0,0,0|0,0,1]=3 17016 B13R0.147 CCC#CCCOCCCC(=O)OC 7a_100000036655_100011218270 [0,2,0,0,0,0|0,0,1]=3 17017 B13R0.147 CCC#CCOCCCCC(=O)OC 34a_100000032950_100000204269 [0,2,0,0,0,0|0,0,1]=3 17018 B13R0.147 CCC#CCOCCCCC(=O)OC 34a_100000059025_100009813939 [0,2,0,0,0,0|0,0,1]=3 17019 B13R0.147 CCC#CCOCCCCC(=O)OC 7a_100000059025_100009813939 [0,2,0,0,0,0|0,0,1]=3 17020 B13R0.147 CCC#CCOCCOCC(=O)OC 34a_100000032950_100000090808 [0,2,0,0,0,0|0,0,2]=4 17021 B13R0.147 CCC#CCSCCCCC(=O)OC 62a_100000204269_100009813939 [0,2,0,0,0,0|0,0,1]=3 17022 B13R0.147 CCC#CCSCCCCC(=O)OC 62a_100009813939_100000204269 [0,2,0,0,0,0|0,0,1]=3 17023 B13R0.147 CCC#CCSCCOCC(=O)OC 62a_100000090808_100009813939 [0,2,0,0,0,0|0,0,2]=4 17024 B13R0.147 CCC#CCSCCOCC(=O)OC 62a_100009813939_100000090808 [0,2,0,0,0,0|0,0,2]=4 17025 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,2,0,0,0,0|1,0,0]=3 17026 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,2,0,0,0,0|1,0,0]=3 17027 B13R0.147 CCC(=O)CCOCCOCCOC 1458a_100000210414_100013367474 [0,2,0,0,0,0|2,0,0]=4 17028 B13R0.147 CCC(=O)CCOCCOCCOC 1458a_100012278103_100000210202 [0,2,0,0,0,0|2,0,0]=4 17029 B13R0.147 CCC(=O)COCCCCCCCBr 7a_100000760002_100000747405 [0,2,0,0,0,0|1,0,0]=3 17030 B13R0.147 CCC(=O)COCCCCCCCO 34a_100000725409_100000760002 [0,2,0,0,0,0|1,0,0]=3 17031 B13R0.147 CCC(=O)COCCCCCCOC 34a_100000725409_100011998445 [0,2,0,0,0,0|1,0,0]=3 17032 B13R0.147 CCC(=O)COCCCCCCOC 7a_200012092642_100000747405 [0,2,0,0,0,0|1,0,0]=3 17033 B13R0.147 CCC(=O)COCCCOCCOC 34a_100000725409_100011216529 [0,2,0,0,0,0|2,0,0]=4 17034 B13R0.147 CCC(=O)CSCCCCCCC#N 62a_100000747405_100009813337 [0,2,0,0,0,0|1,0,1]=4 17035 B13R0.147 CCC(=O)CSCCCCCCC#N 62a_100009813337_100000747405 [0,2,0,0,0,0|1,0,1]=4 17036 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000747405_100000760002 [0,2,0,0,0,0|1,0,0]=3 17037 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000760002_100000747405 [0,2,0,0,0,0|1,0,0]=3 17038 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100000747405_100011998445 [0,2,0,0,0,0|1,0,0]=3 17039 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100011998445_100000747405 [0,2,0,0,0,0|1,0,0]=3 17040 B13R0.147 CCC(=O)CSCCCOCCOC 62a_100000747405_100011216529 [0,2,0,0,0,0|2,0,0]=4 17041 B13R0.147 CCC(=O)CSCCCOCCOC 62a_100011216529_100000747405 [0,2,0,0,0,0|2,0,0]=4 17042 B13R0.147 CCC(=O)NCCCCCCCCO 240690a_102515433106_100000210414 [0,2,0,0,0,0|1,0,0]=3 17043 B13R0.147 CCC(=O)NCCNCCCCCF 34a_100132302217_100000729378 [0,2,0,0,0,0|2,0,0]=4 17044 B13R0.147 CCC(=O)NCCNCCCCCO 34a_100132302217_100000746330 [0,2,0,0,0,0|2,0,0]=4 17045 B13R0.147 CCC(=O)NCCNCCCCOC 34a_100132302217_100000755781 [0,2,0,0,0,0|2,0,0]=4 17046 B13R0.147 CCC(=O)NCCOCCCCCF 34a_200000158885_100000729378 [0,2,0,0,0,0|2,0,0]=4 17047 B13R0.147 CCC(=O)NCCOCCCCCF 7a_200000158885_100000729378 [0,2,0,0,0,0|2,0,0]=4 17048 B13R0.147 CCC(=O)NCCOCCCCCO 34a_200000158885_100000746330 [0,2,0,0,0,0|2,0,0]=4 17049 B13R0.147 CCC(=O)NCCOCCCCCO 7a_200000158885_100000746330 [0,2,0,0,0,0|2,0,0]=4 17050 B13R0.147 CCC(=O)NCCOCCCCOC 34a_200000158885_100000755781 [0,2,0,0,0,0|2,0,0]=4 17051 B13R0.147 CCC(=O)NCCOCCCCOC 7a_200000158885_100000730899 [0,2,0,0,0,0|2,0,0]=4 17052 B13R0.147 CCC(=O)OCCOCCCCCF 7a_200000031056_100000729378 [0,2,0,0,0,0|2,0,0]=4 17053 B13R0.147 CCC(=O)OCCOCCCCCO 7a_200000031056_100000746330 [0,2,0,0,0,0|2,0,0]=4 17054 B13R0.147 CCC(=O)OCCOCCCCOC 7a_200000031056_100000730899 [0,2,0,0,0,0|2,0,0]=4 17055 B13R0.147 CCC/C=C/COCCCC(=O)NC 34a_100016278788_100000741757 [0,2,0,0,0,0|1,0,1]=4 17056 B13R0.147 CCC/C=C/COCCCC(=O)NC 7a_100016278788_100000741757 [0,2,0,0,0,0|1,0,1]=4 17057 B13R0.147 CCC/C=C/COCCCC(=O)OC 34a_100016278788_100000742333 [0,2,0,0,0,0|0,0,1]=3 17058 B13R0.147 CCC/C=C/COCCCC(=O)OC 7a_100016278788_100011218270 [0,2,0,0,0,0|0,0,1]=3 17059 B13R0.147 CCCC#CCCOCCC(=O)NC 34a_100000042726_100012179268 [0,2,0,0,0,0|1,0,1]=4 17060 B13R0.147 CCCC#CCCOCCC(=O)NC 7a_100000042726_100000737683 [0,2,0,0,0,0|1,0,1]=4 17061 B13R0.147 CCCC#CCCOCCC(=O)OC 34a_100000042726_100000742370 [0,2,0,0,0,0|0,0,1]=3 17062 B13R0.147 CCCC#CCCOCCC(=O)OC 7a_100000042726_100000204255 [0,2,0,0,0,0|0,0,1]=3 17063 B13R0.147 CCCC#CCOCCCC(=O)NC 34a_100000034806_100000741757 [0,2,0,0,0,0|1,0,1]=4 17064 B13R0.147 CCCC#CCOCCCC(=O)NC 7a_100000034806_100000741757 [0,2,0,0,0,0|1,0,1]=4 17065 B13R0.147 CCCC#CCOCCCC(=O)OC 34a_100000034806_100000742333 [0,2,0,0,0,0|0,0,1]=3 17066 B13R0.147 CCCC#CCOCCCC(=O)OC 7a_100000034806_100011218270 [0,2,0,0,0,0|0,0,1]=3 17067 B13R0.147 CCCC/C=C/COCCC(=O)NC 34a_200016272032_100012179268 [0,2,0,0,0,0|1,0,1]=4 17068 B13R0.147 CCCC/C=C/COCCC(=O)NC 7a_200016272032_100000737683 [0,2,0,0,0,0|1,0,1]=4 17069 B13R0.147 CCCC/C=C/COCCC(=O)OC 34a_200016272032_100000742370 [0,2,0,0,0,0|0,0,1]=3 17070 B13R0.147 CCCC/C=C/COCCC(=O)OC 7a_200016272032_100000204255 [0,2,0,0,0,0|0,0,1]=3 17071 B13R0.147 CCCC/C=C\CCOCC(=O)CC 7a_200016286491_100000747405 [0,2,0,0,0,0|1,0,1]=4 17072 B13R0.147 CCCC/C=C\CCOCC(=O)NC 34a_200016286491_100000183359 [0,2,0,0,0,0|1,0,1]=4 17073 B13R0.147 CCCC/C=C\CCOCC(=O)NC 7a_200016286491_100000183359 [0,2,0,0,0,0|1,0,1]=4 17074 B13R0.147 CCCC/C=C\CCOCC(=O)OC 34a_200016286491_100000747449 [0,2,0,0,0,0|0,0,1]=3 17075 B13R0.147 CCCC/C=C\CCOCC(=O)OC 7a_200016286491_100000747449 [0,2,0,0,0,0|0,0,1]=3 17076 B13R0.147 CCCCC#CCCOCC(=O)CC 7a_100000037610_100000747405 [0,2,0,0,0,0|1,0,1]=4 17077 B13R0.147 CCCCC#CCCOCC(=O)NC 34a_100000037610_100000183359 [0,2,0,0,0,0|1,0,1]=4 17078 B13R0.147 CCCCC#CCCOCC(=O)NC 7a_100000037610_100000183359 [0,2,0,0,0,0|1,0,1]=4 17079 B13R0.147 CCCCC#CCCOCC(=O)OC 34a_100000037610_100000747449 [0,2,0,0,0,0|0,0,1]=3 17080 B13R0.147 CCCCC#CCCOCC(=O)OC 7a_100000037610_100000747449 [0,2,0,0,0,0|0,0,1]=3 17081 B13R0.147 CCCCC#CCOCCC(=O)NC 34a_200000034558_100012179268 [0,2,0,0,0,0|1,0,1]=4 17082 B13R0.147 CCCCC#CCOCCC(=O)NC 7a_200000034558_100000737683 [0,2,0,0,0,0|1,0,1]=4 17083 B13R0.147 CCCCC#CCOCCC(=O)OC 34a_200000034558_100000742370 [0,2,0,0,0,0|0,0,1]=3 17084 B13R0.147 CCCCC#CCOCCC(=O)OC 7a_200000034558_100000204255 [0,2,0,0,0,0|0,0,1]=3 17085 B13R0.147 CCCCC/C=C/COCC(=O)CC 7a_100016258190_100000747405 [0,2,0,0,0,0|1,0,1]=4 17086 B13R0.147 CCCCC/C=C/COCC(=O)NC 34a_100016258190_100000183359 [0,2,0,0,0,0|1,0,1]=4 17087 B13R0.147 CCCCC/C=C/COCC(=O)NC 7a_100016258190_100000183359 [0,2,0,0,0,0|1,0,1]=4 17088 B13R0.147 CCCCC/C=C/COCC(=O)OC 34a_100016258190_100000747449 [0,2,0,0,0,0|0,0,1]=3 17089 B13R0.147 CCCCC/C=C/COCC(=O)OC 7a_100016258190_100000747449 [0,2,0,0,0,0|0,0,1]=3 17090 B13R0.147 CCCCCC#CCNCC(=O)NC 2230a_100000693194_100009816472 [0,2,0,0,0,0|1,0,1]=4 17091 B13R0.147 CCCCCC#CCOCC(=O)CC 34a_100000725409_100009816472 [0,2,0,0,0,0|1,0,1]=4 17092 B13R0.147 CCCCCC#CCOCC(=O)CC 7a_200000033628_100000747405 [0,2,0,0,0,0|1,0,1]=4 17093 B13R0.147 CCCCCC#CCOCC(=O)NC 34a_100000750040_100009816472 [0,2,0,0,0,0|1,0,1]=4 17094 B13R0.147 CCCCCC#CCOCC(=O)NC 34a_200000033628_100000183359 [0,2,0,0,0,0|1,0,1]=4 17095 B13R0.147 CCCCCC#CCOCC(=O)NC 7a_200000033628_100000183359 [0,2,0,0,0,0|1,0,1]=4 17096 B13R0.147 CCCCCC#CCOCC(=O)OC 34a_200000033628_100000747449 [0,2,0,0,0,0|0,0,1]=3 17097 B13R0.147 CCCCCC#CCOCC(=O)OC 7a_200000033628_100000747449 [0,2,0,0,0,0|0,0,1]=3 17098 B13R0.147 CCCCCC#CCSCC(=O)CC 62a_100000747405_100009816472 [0,2,0,0,0,0|1,0,1]=4 17099 B13R0.147 CCCCCC#CCSCC(=O)CC 62a_100009816472_100000747405 [0,2,0,0,0,0|1,0,1]=4 17100 B13R0.147 CCCCCC#CCSCC(=O)NC 62a_100000183359_100009816472 [0,2,0,0,0,0|1,0,1]=4 17101 B13R0.147 CCCCCC#CCSCC(=O)NC 62a_100009816472_100000183359 [0,2,0,0,0,0|1,0,1]=4 17102 B13R0.147 CCCCCC#CCSCC(=O)OC 62a_100000747449_100009816472 [0,2,0,0,0,0|0,0,1]=3 17103 B13R0.147 CCCCCC#CCSCC(=O)OC 62a_100009816472_100000747449 [0,2,0,0,0,0|0,0,1]=3 17104 B13R0.147 CCCCCCCC=NNC(=O)CC 4a_100000183195_100000210592 [0,2,0,0,0,0|1,0,1]=4 17105 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [0,2,0,0,0,0|1,0,0]=3 17106 B13R0.147 CCCCCCCCC=CC(=O)CF 1458a_100015345288_100015361967 [0,2,0,0,0,0|2,0,0]=4 17107 B13R0.147 CCCCCCCCC=CC(=O)NC 11a_106832991635_100015345288 [0,2,0,0,0,0|1,0,0]=3 17108 B13R0.147 CCCCCCCCC=CC(=O)NC 1626a_100102657272_100015345288 [0,2,0,0,0,0|1,0,0]=3 17109 B13R0.147 CCCCCCCCC=CC(=O)NC 240690a_100102657272_100015345288 [0,2,0,0,0,0|1,0,0]=3 17110 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,2,0,0,0,0|1,0,0]=3 17111 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,2,0,0,0,0|1,0,0]=3 17112 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,2,0,0,0,0|2,0,0]=4 17113 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,2,0,0,0,0|2,0,0]=4 17114 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,2,0,0,0,0|1,0,0]=3 17115 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,2,0,0,0,0|1,0,0]=3 17116 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,2,0,0,0,0|1,0,0]=3 17117 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [0,2,0,0,0,0|1,0,1]=4 17118 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [0,2,0,0,0,0|1,0,1]=4 17119 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [0,2,0,0,0,0|1,0,1]=4 17120 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [0,2,0,0,0,0|1,0,1]=4 17121 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 17122 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 17123 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 17124 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 17125 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,2,0,0,0,0|2,0,0]=4 17126 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,2,0,0,0,0|2,0,0]=4 17127 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100000212291_106832991635 [0,2,0,0,0,0|1,0,0]=3 17128 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100102657272_100000212291 [0,2,0,0,0,0|1,0,0]=3 17129 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100000212291_100102657272 [0,2,0,0,0,0|1,0,0]=3 17130 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100102657272_100000212291 [0,2,0,0,0,0|1,0,0]=3 17131 B13R0.147 CCCCCCCCCNC(=O)NC 512a_100000212291_100102657272 [0,2,0,0,0,0|1,0,0]=3 17132 B13R0.147 CCCCCCCCCNC(=O)NC 512a_106832991638_100000212291 [0,2,0,0,0,0|1,0,0]=3 17133 B13R0.147 CCCCCCCCCSC(C)OC 62a_100009879195_100000210670 [0,2,0,0,0,0|1,0,1]=4 17134 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000229939_100000183359 [0,2,0,0,0,0|1,0,0]=3 17135 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000693194_100000210759 [0,2,0,0,0,0|1,0,0]=3 17136 B13R0.147 CCCCCCCCNCC(=O)NC 34a_100000229939_100000183359 [0,2,0,0,0,0|1,0,0]=3 17137 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,2,0,0,0,0|0,0,0]=2 17138 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,2,0,0,0,0|0,0,0]=2 17139 B13R0.147 CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210759 [0,2,0,0,0,0|1,0,1]=4 17140 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [0,2,0,0,0,0|1,0,0]=3 17141 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [0,2,0,0,0,0|1,0,0]=3 17142 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [0,2,0,0,0,0|1,0,0]=3 17143 B13R0.147 CCCCCCCCOCC(=O)CF 1458a_100000759886_100015361967 [0,2,0,0,0,0|2,0,0]=4 17144 B13R0.147 CCCCCCCCOCC(=O)NC 11a_106832991635_100000759886 [0,2,0,0,0,0|1,0,0]=3 17145 B13R0.147 CCCCCCCCOCC(=O)NC 1626a_100102657272_100000759886 [0,2,0,0,0,0|1,0,0]=3 17146 B13R0.147 CCCCCCCCOCC(=O)NC 240690a_100102657272_100000759886 [0,2,0,0,0,0|1,0,0]=3 17147 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000210232_100000183359 [0,2,0,0,0,0|1,0,0]=3 17148 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000750040_100000210759 [0,2,0,0,0,0|1,0,0]=3 17149 B13R0.147 CCCCCCCCOCC(=O)NC 527a_100102657272_100000759886 [0,2,0,0,0,0|1,0,0]=3 17150 B13R0.147 CCCCCCCCOCC(=O)NC 7a_100000210232_100000183359 [0,2,0,0,0,0|1,0,0]=3 17151 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,2,0,0,0,0|0,0,0]=2 17152 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,2,0,0,0,0|0,0,0]=2 17153 B13R0.147 CCCCCCCCOCC(C)OC 34a_100000690652_100000210759 [0,2,0,0,0,0|1,0,1]=4 17154 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000210759_100000747405 [0,2,0,0,0,0|1,0,0]=3 17155 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000747405_100000210317 [0,2,0,0,0,0|1,0,0]=3 17156 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000183359_100000210317 [0,2,0,0,0,0|1,0,0]=3 17157 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000210759_100000183359 [0,2,0,0,0,0|1,0,0]=3 17158 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,2,0,0,0,0|0,0,0]=2 17159 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,2,0,0,0,0|0,0,0]=2 17160 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000229938_100000737683 [0,2,0,0,0,0|1,0,0]=3 17161 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000738227_100000210681 [0,2,0,0,0,0|1,0,0]=3 17162 B13R0.147 CCCCCCCNCCC(=O)NC 34a_100000738227_100000210614 [0,2,0,0,0,0|1,0,0]=3 17163 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,2,0,0,0,0|0,0,0]=2 17164 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000210272_100012179268 [0,2,0,0,0,0|1,0,0]=3 17165 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000754576_100000210614 [0,2,0,0,0,0|1,0,0]=3 17166 B13R0.147 CCCCCCCOCCC(=O)NC 7a_100000210272_100000737683 [0,2,0,0,0,0|1,0,0]=3 17167 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,2,0,0,0,0|0,0,0]=2 17168 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,2,0,0,0,0|0,0,0]=2 17169 B13R0.147 CCCCCCCOCCC(C)OC 7a_100000764861_100000210614 [0,2,0,0,0,0|1,0,1]=4 17170 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000210614_100000737683 [0,2,0,0,0,0|1,0,0]=3 17171 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000737683_100000210316 [0,2,0,0,0,0|1,0,0]=3 17172 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,2,0,0,0,0|0,0,0]=2 17173 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,2,0,0,0,0|0,0,0]=2 17174 B13R0.147 CCCCCCCSCOC(=O)OC 62a_100000210614_100000139417 [0,2,0,0,0,0|0,0,0]=2 17175 B13R0.147 CCCCCCNC/C=C/C(=O)OC 2230a_100000210581_100000742655 [0,2,0,0,0,0|0,0,1]=3 17176 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000210581_100000741757 [0,2,0,0,0,0|1,0,0]=3 17177 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000740002_100000210314 [0,2,0,0,0,0|1,0,0]=3 17178 B13R0.147 CCCCCCNCCCC(=O)NC 34a_100000740002_100000210314 [0,2,0,0,0,0|1,0,0]=3 17179 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,2,0,0,0,0|0,0,0]=2 17180 B13R0.147 CCCCCCNCCNC(=O)CC 34a_100132302217_100000210314 [0,2,0,0,0,0|1,0,0]=3 17181 B13R0.147 CCCCCCNCCNC(=O)NC 34a_100015205895_100000210314 [0,2,0,0,0,0|1,0,0]=3 17182 B13R0.147 CCCCCCOC/C=C/C(=O)OC 34a_100000210259_100000742655 [0,2,0,0,0,0|0,0,1]=3 17183 B13R0.147 CCCCCCOC/C=C/C(=O)OC 7a_100000210259_100000742655 [0,2,0,0,0,0|0,0,1]=3 17184 B13R0.147 CCCCCCOCCCC(=O)NC 34a_100000210259_100000741757 [0,2,0,0,0,0|1,0,0]=3 17185 B13R0.147 CCCCCCOCCCC(=O)NC 7a_100000210259_100000741757 [0,2,0,0,0,0|1,0,0]=3 17186 B13R0.147 CCCCCCOCCCC(=O)NN 34a_100000211488_100000210314 [0,2,0,0,0,0|2,0,0]=4 17187 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,2,0,0,0,0|0,0,0]=2 17188 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,2,0,0,0,0|0,0,0]=2 17189 B13R0.147 CCCCCCOCCNC(=O)CC 34a_200000158885_100000210314 [0,2,0,0,0,0|1,0,0]=3 17190 B13R0.147 CCCCCCOCCNC(=O)CC 7a_200000158885_100000210314 [0,2,0,0,0,0|1,0,0]=3 17191 B13R0.147 CCCCCCOCCNC(=O)OC 34a_100000757965_100000210314 [0,2,0,0,0,0|0,0,0]=2 17192 B13R0.147 CCCCCCOCCOC(=O)CC 7a_200000031056_100000210314 [0,2,0,0,0,0|1,0,0]=3 17193 B13R0.147 CCCCCCOCCOC(=O)NC 34a_100000210259_200011997002 [0,2,0,0,0,0|1,0,0]=3 17194 B13R0.147 CCCCCCOCCOC(=O)NC 7a_100000210259_200011997002 [0,2,0,0,0,0|1,0,0]=3 17195 B13R0.147 CCCCCCOCCOC(=O)OC 34a_100010262106_100000210314 [0,2,0,0,0,0|0,0,0]=2 17196 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000210314_100000742655 [0,2,0,0,0,0|0,0,1]=3 17197 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210757 [0,2,0,0,0,0|0,0,1]=3 17198 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000210314_100000741757 [0,2,0,0,0,0|1,0,0]=3 17199 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000741757_100000210757 [0,2,0,0,0,0|1,0,0]=3 17200 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,2,0,0,0,0|0,0,0]=2 17201 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,2,0,0,0,0|0,0,0]=2 17202 B13R0.147 CCCCCCSCCOC(=O)NC 62a_100000210314_200011997002 [0,2,0,0,0,0|1,0,0]=3 17203 B13R0.147 CCCCCCSCCOC(=O)NC 62a_200011997002_100000210757 [0,2,0,0,0,0|1,0,0]=3 17204 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,2,0,0,0,0|0,0,0]=2 17205 B13R0.147 CCCCCNCCOCC(=O)NC 34a_100000224656_100000183359 [0,2,0,0,0,0|1,0,0]=3 17206 B13R0.147 CCCCCNCCOCC(=O)OC 2230a_100000209983_100000090808 [0,2,0,0,0,0|0,0,0]=2 17207 B13R0.147 CCCCCNCCOCC(=O)OC 34a_100000224656_100000747449 [0,2,0,0,0,0|0,0,0]=2 17208 B13R0.147 CCCCCNN=CCCC(=O)OC 4a_100000694160_100012047195 [0,2,0,0,0,0|0,0,1]=3 17209 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,2,0,0,0,0|0,0,0]=2 17210 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,2,0,0,0,0|0,0,0]=2 17211 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,2,0,0,0,0|0,0,0]=2 17212 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,2,0,0,0,0|0,0,0]=2 17213 B13R0.147 CCCCCOCCOCC(=O)CC 7a_100011215259_100000747405 [0,2,0,0,0,0|1,0,0]=3 17214 B13R0.147 CCCCCOCCOCC(=O)NC 34a_100011215259_100000183359 [0,2,0,0,0,0|1,0,0]=3 17215 B13R0.147 CCCCCOCCOCC(=O)NC 7a_100011215259_100000183359 [0,2,0,0,0,0|1,0,0]=3 17216 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,2,0,0,0,0|0,0,0]=2 17217 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,2,0,0,0,0|0,0,0]=2 17218 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,2,0,0,0,0|0,0,0]=2 17219 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,2,0,0,0,0|0,0,0]=2 17220 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,2,0,0,0,0|0,0,0]=2 17221 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,2,0,0,0,0|0,0,0]=2 17222 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000090808_100000210326 [0,2,0,0,0,0|0,0,0]=2 17223 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000210326_100000090808 [0,2,0,0,0,0|0,0,0]=2 17224 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,2,0,0,0,0|0,0,0]=2 17225 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,2,0,0,0,0|0,0,0]=2 17226 B13R0.147 CCCCNN=CCCCC(=O)OC 4a_100025702795_100000094087 [0,2,0,0,0,0|0,0,1]=3 17227 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,2,0,0,0,0|0,0,0]=2 17228 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,2,0,0,0,0|0,0,0]=2 17229 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,2,0,0,0,0|0,0,0]=2 17230 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,2,0,0,0,0|0,0,0]=2 17231 B13R0.147 CCCCOCCCNCC(=O)NC 2230a_200000211371_100000183359 [0,2,0,0,0,0|1,0,0]=3 17232 B13R0.147 CCCCOCCCNCC(=O)NC 34a_200000211371_100000183359 [0,2,0,0,0,0|1,0,0]=3 17233 B13R0.147 CCCCOCCCNCC(=O)OC 2230a_200000211371_100000747449 [0,2,0,0,0,0|0,0,0]=2 17234 B13R0.147 CCCCOCCCNCC(=O)OC 34a_200000211371_100000747449 [0,2,0,0,0,0|0,0,0]=2 17235 B13R0.147 CCCCOCCCOCC(=O)CC 7a_200011215613_100000747405 [0,2,0,0,0,0|1,0,0]=3 17236 B13R0.147 CCCCOCCCOCC(=O)NC 34a_200011215613_100000183359 [0,2,0,0,0,0|1,0,0]=3 17237 B13R0.147 CCCCOCCCOCC(=O)NC 7a_200011215613_100000183359 [0,2,0,0,0,0|1,0,0]=3 17238 B13R0.147 CCCCOCCCOCC(=O)OC 34a_200011215613_100000747449 [0,2,0,0,0,0|0,0,0]=2 17239 B13R0.147 CCCCOCCCOCC(=O)OC 7a_200011215613_100000747449 [0,2,0,0,0,0|0,0,0]=2 17240 B13R0.147 CCCCOCCNCCC(=O)NC 2230a_100000738227_100000743108 [0,2,0,0,0,0|1,0,0]=3 17241 B13R0.147 CCCCOCCNCCC(=O)NC 34a_100000738227_100000743108 [0,2,0,0,0,0|1,0,0]=3 17242 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000210238_100012179268 [0,2,0,0,0,0|1,0,0]=3 17243 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000754576_100000743108 [0,2,0,0,0,0|1,0,0]=3 17244 B13R0.147 CCCCOCCOCCC(=O)NC 7a_100000210238_100000737683 [0,2,0,0,0,0|1,0,0]=3 17245 B13R0.147 CCCCOCCOCCC(=O)OC 34a_100000210238_100000742370 [0,2,0,0,0,0|0,0,0]=2 17246 B13R0.147 CCCCOCCOCCC(=O)OC 7a_100000210238_100000204255 [0,2,0,0,0,0|0,0,0]=2 17247 B13R0.147 CCCCOCCOCCC(C)OC 7a_100000764861_100000743108 [0,2,0,0,0,0|1,0,1]=4 17248 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000737683_100000743108 [0,2,0,0,0,0|1,0,0]=3 17249 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000743108_100000737683 [0,2,0,0,0,0|1,0,0]=3 17250 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000204255_100000743108 [0,2,0,0,0,0|0,0,0]=2 17251 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000743108_100000204255 [0,2,0,0,0,0|0,0,0]=2 17252 B13R0.147 CCCCOCCSCOC(=O)OC 62a_100000743108_100000139417 [0,2,0,0,0,0|1,0,0]=3 17253 B13R0.147 CCCCOCNCCCC(=O)NC 2230a_100000740002_100011995733 [0,2,0,0,0,0|1,0,0]=3 17254 B13R0.147 CCCCOCNCCCC(=O)NC 34a_100000740002_100011995733 [0,2,0,0,0,0|1,0,0]=3 17255 B13R0.147 CCCCOCNCCNC(=O)CC 34a_100132302217_100011995733 [0,2,0,0,0,0|2,0,0]=4 17256 B13R0.147 CCCCOCNCCNC(=O)NC 34a_100015205895_100011995733 [0,2,0,0,0,0|2,0,0]=4 17257 B13R0.147 CCCCOCOCCCC(=O)NN 34a_100000211488_100011995733 [0,2,0,0,0,0|2,0,0]=4 17258 B13R0.147 CCCCOCOCCNC(=O)CC 34a_200000158885_100011995733 [0,2,0,0,0,0|2,0,0]=4 17259 B13R0.147 CCCCOCOCCNC(=O)OC 34a_100000757965_100011995733 [0,2,0,0,0,0|1,0,0]=3 17260 B13R0.147 CCCCOCOCCOC(=O)OC 34a_100010262106_100011995733 [0,2,0,0,0,0|1,0,0]=3 17261 B13R0.147 CCCCOCSC/C=C/C(=O)OC 62a_100000742655_100011995733 [0,2,0,0,0,0|0,0,2]=4 17262 B13R0.147 CCCCOCSC/C=C/C(=O)OC 62a_100011995733_100000742655 [0,2,0,0,0,0|0,0,2]=4 17263 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100000741757_100011995733 [0,2,0,0,0,0|1,0,0]=3 17264 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100011995733_100000741757 [0,2,0,0,0,0|1,0,0]=3 17265 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011218270_100011995733 [0,2,0,0,0,0|0,0,0]=2 17266 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011995733_100011218270 [0,2,0,0,0,0|0,0,0]=2 17267 B13R0.147 CCCCOCSCCOC(=O)NC 62a_100011995733_200011997002 [0,2,0,0,0,0|2,0,0]=4 17268 B13R0.147 CCCCOCSCCOC(=O)NC 62a_200011997002_100011995733 [0,2,0,0,0,0|2,0,0]=4 17269 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,2,0,0,0,0|0,0,0]=2 17270 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,2,0,0,0,0|0,0,0]=2 17271 B13R0.147 CCCCSCCNCCC(=O)NC 2230a_100025743550_100000737683 [0,2,0,0,0,0|1,0,0]=3 17272 B13R0.147 CCCCSCCNCCC(=O)OC 2230a_100025743550_100000204255 [0,2,0,0,0,0|0,0,0]=2 17273 B13R0.147 CCCCSCCOCCC(=O)NC 34a_200000230436_100012179268 [0,2,0,0,0,0|1,0,0]=3 17274 B13R0.147 CCCCSCCOCCC(=O)NC 7a_200000230436_100000737683 [0,2,0,0,0,0|1,0,0]=3 17275 B13R0.147 CCCCSCCOCCC(=O)OC 34a_200000230436_100000742370 [0,2,0,0,0,0|0,0,0]=2 17276 B13R0.147 CCCCSCCOCCC(=O)OC 7a_200000230436_100000204255 [0,2,0,0,0,0|0,0,0]=2 17277 B13R0.147 CCCNN=CCCCCC(=O)OC 4a_100000740057_100000052768 [0,2,0,0,0,0|0,0,1]=3 17278 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,2,0,0,0,0|0,0,0]=2 17279 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,2,0,0,0,0|0,0,0]=2 17280 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,2,0,0,0,0|0,0,0]=2 17281 B13R0.147 CCCOCCCNCCC(=O)NC 2230a_100011217757_100000737683 [0,2,0,0,0,0|1,0,0]=3 17282 B13R0.147 CCCOCCCNCCC(=O)NC 34a_100011217757_100012179268 [0,2,0,0,0,0|1,0,0]=3 17283 B13R0.147 CCCOCCCNCCC(=O)OC 2230a_100011217757_100000204255 [0,2,0,0,0,0|0,0,0]=2 17284 B13R0.147 CCCOCCCNCCC(=O)OC 34a_100011217757_100000742370 [0,2,0,0,0,0|0,0,0]=2 17285 B13R0.147 CCCOCCNC/C=C/C(=O)OC 2230a_100161115042_100000742655 [0,2,0,0,0,0|0,0,2]=4 17286 B13R0.147 CCCOCCNC/C=C/C(=O)OC 34a_100161115042_100000742655 [0,2,0,0,0,0|0,0,2]=4 17287 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100000740002_100011215938 [0,2,0,0,0,0|1,0,0]=3 17288 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100161115042_100000741757 [0,2,0,0,0,0|1,0,0]=3 17289 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100000740002_100011215938 [0,2,0,0,0,0|1,0,0]=3 17290 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100161115042_100000741757 [0,2,0,0,0,0|1,0,0]=3 17291 B13R0.147 CCCOCCNCCCC(=O)OC 2230a_100161115042_100011218270 [0,2,0,0,0,0|0,0,0]=2 17292 B13R0.147 CCCOCCNCCCC(=O)OC 34a_100161115042_100000742333 [0,2,0,0,0,0|0,0,0]=2 17293 B13R0.147 CCCOCCNCCNC(=O)CC 34a_100132302217_100011215938 [0,2,0,0,0,0|2,0,0]=4 17294 B13R0.147 CCCOCCNCCNC(=O)NC 34a_100015205895_100011215938 [0,2,0,0,0,0|2,0,0]=4 17295 B13R0.147 CCCOCCNCCOC(=O)NC 34a_100161115042_200011997002 [0,2,0,0,0,0|2,0,0]=4 17296 B13R0.147 CCCOCCOC/C=C/C(=O)OC 34a_100000752267_100000742655 [0,2,0,0,0,0|0,0,2]=4 17297 B13R0.147 CCCOCCOC/C=C/C(=O)OC 7a_100000752267_100000742655 [0,2,0,0,0,0|0,0,2]=4 17298 B13R0.147 CCCOCCOCCCC(=O)NC 34a_100000752267_100000741757 [0,2,0,0,0,0|1,0,0]=3 17299 B13R0.147 CCCOCCOCCCC(=O)NC 7a_100000752267_100000741757 [0,2,0,0,0,0|1,0,0]=3 17300 B13R0.147 CCCOCCOCCCC(=O)NN 34a_100000211488_100011215938 [0,2,0,0,0,0|2,0,0]=4 17301 B13R0.147 CCCOCCOCCCC(=O)OC 34a_100000752267_100000742333 [0,2,0,0,0,0|0,0,0]=2 17302 B13R0.147 CCCOCCOCCCC(=O)OC 7a_100000752267_100011218270 [0,2,0,0,0,0|0,0,0]=2 17303 B13R0.147 CCCOCCOCCNC(=O)CC 11a_200011904461_100000210414 [0,2,0,0,0,0|2,0,0]=4 17304 B13R0.147 CCCOCCOCCNC(=O)CC 1626a_200011904461_100000210414 [0,2,0,0,0,0|2,0,0]=4 17305 B13R0.147 CCCOCCOCCNC(=O)CC 240690a_200011904461_100000210414 [0,2,0,0,0,0|2,0,0]=4 17306 B13R0.147 CCCOCCOCCNC(=O)CC 34a_200000158885_100011215938 [0,2,0,0,0,0|2,0,0]=4 17307 B13R0.147 CCCOCCOCCNC(=O)CC 7a_200000158885_100011215938 [0,2,0,0,0,0|2,0,0]=4 17308 B13R0.147 CCCOCCOCCNC(=O)NC 2708a_100102657272_200011904461 [0,2,0,0,0,0|2,0,0]=4 17309 B13R0.147 CCCOCCOCCNC(=O)NC 2708a_200011904461_106832991635 [0,2,0,0,0,0|2,0,0]=4 17310 B13R0.147 CCCOCCOCCNC(=O)NC 273464a_100102657272_200011904461 [0,2,0,0,0,0|2,0,0]=4 17311 B13R0.147 CCCOCCOCCNC(=O)NC 273464a_200011904461_100102657272 [0,2,0,0,0,0|2,0,0]=4 17312 B13R0.147 CCCOCCOCCNC(=O)NC 512a_200011904461_100102657272 [0,2,0,0,0,0|2,0,0]=4 17313 B13R0.147 CCCOCCOCCNC(=O)OC 34a_100000757965_100011215938 [0,2,0,0,0,0|1,0,0]=3 17314 B13R0.147 CCCOCCOCCOC(=O)CC 7a_200000031056_100011215938 [0,2,0,0,0,0|2,0,0]=4 17315 B13R0.147 CCCOCCOCCOC(=O)NC 34a_100000752267_200011997002 [0,2,0,0,0,0|2,0,0]=4 17316 B13R0.147 CCCOCCOCCOC(=O)NC 7a_100000752267_200011997002 [0,2,0,0,0,0|2,0,0]=4 17317 B13R0.147 CCCOCCOCCOC(=O)OC 34a_100010262106_100011215938 [0,2,0,0,0,0|1,0,0]=3 17318 B13R0.147 CCCOCCSC/C=C/C(=O)OC 62a_100000742655_100011215938 [0,2,0,0,0,0|0,0,2]=4 17319 B13R0.147 CCCOCCSC/C=C/C(=O)OC 62a_100011215938_100000742655 [0,2,0,0,0,0|0,0,2]=4 17320 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100000741757_100011215938 [0,2,0,0,0,0|1,0,0]=3 17321 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100011215938_100000741757 [0,2,0,0,0,0|1,0,0]=3 17322 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011215938_100011218270 [0,2,0,0,0,0|0,0,0]=2 17323 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011218270_100011215938 [0,2,0,0,0,0|0,0,0]=2 17324 B13R0.147 CCCOCCSCCOC(=O)NC 62a_100011215938_200011997002 [0,2,0,0,0,0|2,0,0]=4 17325 B13R0.147 CCCOCCSCCOC(=O)NC 62a_200011997002_100011215938 [0,2,0,0,0,0|2,0,0]=4 17326 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,2,0,0,0,0|0,0,0]=2 17327 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,2,0,0,0,0|0,0,0]=2 17328 B13R0.147 CCCSCCNC/C=C/C(=O)OC 2230a_100020603323_100000742655 [0,2,0,0,0,0|0,0,2]=4 17329 B13R0.147 CCCSCCNCCCC(=O)NC 2230a_100020603323_100000741757 [0,2,0,0,0,0|1,0,0]=3 17330 B13R0.147 CCCSCCNCCCC(=O)OC 2230a_100020603323_100011218270 [0,2,0,0,0,0|0,0,0]=2 17331 B13R0.147 CCCSCCOC/C=C/C(=O)OC 34a_200000230433_100000742655 [0,2,0,0,0,0|0,0,2]=4 17332 B13R0.147 CCCSCCOC/C=C/C(=O)OC 7a_200000230433_100000742655 [0,2,0,0,0,0|0,0,2]=4 17333 B13R0.147 CCCSCCOCCCC(=O)NC 34a_200000230433_100000741757 [0,2,0,0,0,0|1,0,0]=3 17334 B13R0.147 CCCSCCOCCCC(=O)NC 7a_200000230433_100000741757 [0,2,0,0,0,0|1,0,0]=3 17335 B13R0.147 CCCSCCOCCCC(=O)OC 34a_200000230433_100000742333 [0,2,0,0,0,0|0,0,0]=2 17336 B13R0.147 CCCSCCOCCCC(=O)OC 7a_200000230433_100011218270 [0,2,0,0,0,0|0,0,0]=2 17337 B13R0.147 CCCSCCOCCOC(=O)NC 34a_200000230433_200011997002 [0,2,0,0,0,0|2,0,0]=4 17338 B13R0.147 CCCSCCOCCOC(=O)NC 7a_200000230433_200011997002 [0,2,0,0,0,0|2,0,0]=4 17339 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,2,0,0,0,0|0,0,0]=2 17340 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,2,0,0,0,0|0,0,0]=2 17341 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,2,0,0,0,0|0,0,0]=2 17342 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,2,0,0,0,0|0,0,0]=2 17343 B13R0.147 CCOCCCNC/C=C/C(=O)OC 2230a_100000210961_100000742655 [0,2,0,0,0,0|0,0,2]=4 17344 B13R0.147 CCOCCCNC/C=C/C(=O)OC 34a_100000210961_100000742655 [0,2,0,0,0,0|0,0,2]=4 17345 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000210961_100000741757 [0,2,0,0,0,0|1,0,0]=3 17346 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000740002_100012232248 [0,2,0,0,0,0|1,0,0]=3 17347 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000210961_100000741757 [0,2,0,0,0,0|1,0,0]=3 17348 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000740002_100012232248 [0,2,0,0,0,0|1,0,0]=3 17349 B13R0.147 CCOCCCNCCCC(=O)OC 2230a_100000210961_100011218270 [0,2,0,0,0,0|0,0,0]=2 17350 B13R0.147 CCOCCCNCCCC(=O)OC 34a_100000210961_100000742333 [0,2,0,0,0,0|0,0,0]=2 17351 B13R0.147 CCOCCCNCCNC(=O)CC 34a_100132302217_100012232248 [0,2,0,0,0,0|2,0,0]=4 17352 B13R0.147 CCOCCCNCCNC(=O)NC 34a_100015205895_100012232248 [0,2,0,0,0,0|2,0,0]=4 17353 B13R0.147 CCOCCCNCCOC(=O)NC 34a_100000210961_200011997002 [0,2,0,0,0,0|2,0,0]=4 17354 B13R0.147 CCOCCCOC/C=C/C(=O)OC 34a_100000757476_100000742655 [0,2,0,0,0,0|0,0,2]=4 17355 B13R0.147 CCOCCCOC/C=C/C(=O)OC 7a_100000757476_100000742655 [0,2,0,0,0,0|0,0,2]=4 17356 B13R0.147 CCOCCCOCCCC(=O)NC 34a_100000757476_100000741757 [0,2,0,0,0,0|1,0,0]=3 17357 B13R0.147 CCOCCCOCCCC(=O)NC 7a_100000757476_100000741757 [0,2,0,0,0,0|1,0,0]=3 17358 B13R0.147 CCOCCCOCCCC(=O)NN 34a_100000211488_100012232248 [0,2,0,0,0,0|2,0,0]=4 17359 B13R0.147 CCOCCCOCCCC(=O)OC 34a_100000757476_100000742333 [0,2,0,0,0,0|0,0,0]=2 17360 B13R0.147 CCOCCCOCCCC(=O)OC 7a_100000757476_100011218270 [0,2,0,0,0,0|0,0,0]=2 17361 B13R0.147 CCOCCCOCCNC(=O)CC 34a_200000158885_100012232248 [0,2,0,0,0,0|2,0,0]=4 17362 B13R0.147 CCOCCCOCCNC(=O)CC 7a_200000158885_100012232248 [0,2,0,0,0,0|2,0,0]=4 17363 B13R0.147 CCOCCCOCCNC(=O)OC 34a_100000757965_100012232248 [0,2,0,0,0,0|1,0,0]=3 17364 B13R0.147 CCOCCCOCCOC(=O)CC 7a_200000031056_100012232248 [0,2,0,0,0,0|2,0,0]=4 17365 B13R0.147 CCOCCCOCCOC(=O)NC 34a_100000757476_200011997002 [0,2,0,0,0,0|2,0,0]=4 17366 B13R0.147 CCOCCCOCCOC(=O)NC 7a_100000757476_200011997002 [0,2,0,0,0,0|2,0,0]=4 17367 B13R0.147 CCOCCCOCCOC(=O)OC 34a_100010262106_100012232248 [0,2,0,0,0,0|1,0,0]=3 17368 B13R0.147 CCOCCCSC/C=C/C(=O)OC 62a_100000742655_100012232248 [0,2,0,0,0,0|0,0,2]=4 17369 B13R0.147 CCOCCCSC/C=C/C(=O)OC 62a_100012232248_100000742655 [0,2,0,0,0,0|0,0,2]=4 17370 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100000741757_100012232248 [0,2,0,0,0,0|1,0,0]=3 17371 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100012232248_100000741757 [0,2,0,0,0,0|1,0,0]=3 17372 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100011218270_100012232248 [0,2,0,0,0,0|0,0,0]=2 17373 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100012232248_100011218270 [0,2,0,0,0,0|0,0,0]=2 17374 B13R0.147 CCOCCCSCCOC(=O)NC 62a_100012232248_200011997002 [0,2,0,0,0,0|2,0,0]=4 17375 B13R0.147 CCOCCCSCCOC(=O)NC 62a_200011997002_100012232248 [0,2,0,0,0,0|2,0,0]=4 17376 B13R0.147 CCOCCNCCCCC(=O)OC 2230a_102516460346_100000204269 [0,2,0,0,0,0|0,0,0]=2 17377 B13R0.147 CCOCCNCCCCC(=O)OC 34a_102516460346_100000204269 [0,2,0,0,0,0|0,0,0]=2 17378 B13R0.147 CCOCCNCCOCC(=O)OC 2230a_102516460346_100000090808 [0,2,0,0,0,0|1,0,0]=3 17379 B13R0.147 CCOCCNCCOCC(=O)OC 34a_102516460346_100000090808 [0,2,0,0,0,0|1,0,0]=3 17380 B13R0.147 CCOCCNN=CCCC(=O)OC 4a_100000732670_100012047195 [0,2,0,0,0,0|1,0,1]=4 17381 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000059025_100000210147 [0,2,0,0,0,0|0,0,0]=2 17382 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000210136_100000204269 [0,2,0,0,0,0|0,0,0]=2 17383 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000059025_100011215890 [0,2,0,0,0,0|0,0,0]=2 17384 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000210136_100000204269 [0,2,0,0,0,0|0,0,0]=2 17385 B13R0.147 CCOCCOCCNCC(=O)NC 2230a_100000693194_100011211534 [0,2,0,0,0,0|2,0,0]=4 17386 B13R0.147 CCOCCOCCNCC(=O)NC 2230a_100102712874_100000183359 [0,2,0,0,0,0|2,0,0]=4 17387 B13R0.147 CCOCCOCCNCC(=O)NC 34a_100102712874_100000183359 [0,2,0,0,0,0|2,0,0]=4 17388 B13R0.147 CCOCCOCCNCC(=O)OC 2230a_100102712874_100000747449 [0,2,0,0,0,0|1,0,0]=3 17389 B13R0.147 CCOCCOCCNCC(=O)OC 34a_100102712874_100000747449 [0,2,0,0,0,0|1,0,0]=3 17390 B13R0.147 CCOCCOCCOCC(=O)CC 34a_100000725409_100011211534 [0,2,0,0,0,0|2,0,0]=4 17391 B13R0.147 CCOCCOCCOCC(=O)CC 7a_100000210240_100000747405 [0,2,0,0,0,0|2,0,0]=4 17392 B13R0.147 CCOCCOCCOCC(=O)NC 34a_100000210240_100000183359 [0,2,0,0,0,0|2,0,0]=4 17393 B13R0.147 CCOCCOCCOCC(=O)NC 34a_100000750040_100011211534 [0,2,0,0,0,0|2,0,0]=4 17394 B13R0.147 CCOCCOCCOCC(=O)NC 7a_100000210240_100000183359 [0,2,0,0,0,0|2,0,0]=4 17395 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210136_100000090808 [0,2,0,0,0,0|1,0,0]=3 17396 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100000210240_100000747449 [0,2,0,0,0,0|1,0,0]=3 17397 B13R0.147 CCOCCOCCOCC(=O)OC 34a_100011023656_100000210202 [0,2,0,0,0,0|1,0,0]=3 17398 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210136_100000090808 [0,2,0,0,0,0|1,0,0]=3 17399 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100000210240_100000747449 [0,2,0,0,0,0|1,0,0]=3 17400 B13R0.147 CCOCCOCCOCC(=O)OC 7a_100011023656_100000210202 [0,2,0,0,0,0|1,0,0]=3 17401 B13R0.147 CCOCCOCCSCC(=O)CC 62a_100000747405_100011211534 [0,2,0,0,0,0|2,0,0]=4 17402 B13R0.147 CCOCCOCCSCC(=O)CC 62a_100011211534_100000747405 [0,2,0,0,0,0|2,0,0]=4 17403 B13R0.147 CCOCCOCCSCC(=O)NC 62a_100000183359_100011211534 [0,2,0,0,0,0|2,0,0]=4 17404 B13R0.147 CCOCCOCCSCC(=O)NC 62a_100011211534_100000183359 [0,2,0,0,0,0|2,0,0]=4 17405 B13R0.147 CCOCCOCCSCC(=O)OC 62a_100000747449_100011211534 [0,2,0,0,0,0|1,0,0]=3 17406 B13R0.147 CCOCCOCCSCC(=O)OC 62a_100011211534_100000747449 [0,2,0,0,0,0|1,0,0]=3 17407 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000204269_100011215890 [0,2,0,0,0,0|0,0,0]=2 17408 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000210147_100000204269 [0,2,0,0,0,0|0,0,0]=2 17409 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000090808_100011215890 [0,2,0,0,0,0|1,0,0]=3 17410 B13R0.147 CCOCCSCCOCC(=O)OC 62a_100000210147_100000090808 [0,2,0,0,0,0|1,0,0]=3 17411 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100000739092_100009816466 [0,2,0,0,0,0|0,0,0]=2 17412 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100009816466_100000739092 [0,2,0,0,0,0|0,0,0]=2 17413 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,2,0,0,0,0|0,0,0]=2 17414 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,2,0,0,0,0|0,0,0]=2 17415 B13R0.147 CCSCCCOC/C=C/C(=O)OC 34a_100011216438_100000742655 [0,2,0,0,0,0|0,0,2]=4 17416 B13R0.147 CCSCCCOC/C=C/C(=O)OC 7a_100011216438_100000742655 [0,2,0,0,0,0|0,0,2]=4 17417 B13R0.147 CCSCCCOCCCC(=O)NC 34a_100011216438_100000741757 [0,2,0,0,0,0|1,0,0]=3 17418 B13R0.147 CCSCCCOCCCC(=O)NC 7a_100011216438_100000741757 [0,2,0,0,0,0|1,0,0]=3 17419 B13R0.147 CCSCCCOCCCC(=O)OC 34a_100011216438_100000742333 [0,2,0,0,0,0|0,0,0]=2 17420 B13R0.147 CCSCCCOCCCC(=O)OC 7a_100011216438_100011218270 [0,2,0,0,0,0|0,0,0]=2 17421 B13R0.147 CCSCCCOCCOC(=O)NC 34a_100011216438_200011997002 [0,2,0,0,0,0|2,0,0]=4 17422 B13R0.147 CCSCCCOCCOC(=O)NC 7a_100011216438_200011997002 [0,2,0,0,0,0|2,0,0]=4 17423 B13R0.147 CCSCCNCCCCC(=O)OC 2230a_100000106463_100000204269 [0,2,0,0,0,0|0,0,0]=2 17424 B13R0.147 CCSCCNCCOCC(=O)OC 2230a_100000106463_100000090808 [0,2,0,0,0,0|1,0,0]=3 17425 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000059025_100000757381 [0,2,0,0,0,0|0,0,0]=2 17426 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000212035_100000204269 [0,2,0,0,0,0|0,0,0]=2 17427 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000059025_100000757381 [0,2,0,0,0,0|0,0,0]=2 17428 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000212035_100000204269 [0,2,0,0,0,0|0,0,0]=2 17429 B13R0.147 CCSCCOCCOCC(=O)OC 34a_100000212035_100000090808 [0,2,0,0,0,0|1,0,0]=3 17430 B13R0.147 CCSCCOCCOCC(=O)OC 7a_100000212035_100000090808 [0,2,0,0,0,0|1,0,0]=3 17431 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000204269_100000757381 [0,2,0,0,0,0|0,0,0]=2 17432 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000757381_100000204269 [0,2,0,0,0,0|0,0,0]=2 17433 B13R0.147 CCSCCSCCOCC(=O)OC 62a_100000090808_100000757381 [0,2,0,0,0,0|1,0,0]=3 17434 B13R0.147 CCSCCSCCOCC(=O)OC 62a_100000757381_100000090808 [0,2,0,0,0,0|1,0,0]=3 17435 B13R0.147 CNC(=O)C=CCCCCCCCO 1626a_100102657272_100016988705 [0,2,0,0,0,0|1,0,1]=4 17436 B13R0.147 CNC(=O)C=CCCCCCCCO 240690a_100102657272_100016988705 [0,2,0,0,0,0|1,0,1]=4 17437 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [0,2,0,0,0,0|1,0,0]=3 17438 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [0,2,0,0,0,0|1,0,0]=3 17439 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [0,2,0,0,0,0|1,0,0]=3 17440 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [0,2,0,0,0,0|1,0,0]=3 17441 B13R0.147 CNC(=O)CCCNCCCCC#N 2230a_100000740002_100000211819 [0,2,0,0,0,0|1,0,1]=4 17442 B13R0.147 CNC(=O)CCCNCCCCC=O 2230a_100000740002_100000139335 [0,2,0,0,0,0|1,0,1]=4 17443 B13R0.147 CNC(=O)CCCNCCCCCF 2230a_100000740002_100000729378 [0,2,0,0,0,0|1,0,0]=3 17444 B13R0.147 CNC(=O)CCCNCCCCCF 34a_100000740002_100000729378 [0,2,0,0,0,0|1,0,0]=3 17445 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000740002_100000746330 [0,2,0,0,0,0|1,0,0]=3 17446 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000762737_100000741757 [0,2,0,0,0,0|1,0,0]=3 17447 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000740002_100000746330 [0,2,0,0,0,0|1,0,0]=3 17448 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000762737_100000741757 [0,2,0,0,0,0|1,0,0]=3 17449 B13R0.147 CNC(=O)CCCNCCCCOC 2230a_100000740002_100000730899 [0,2,0,0,0,0|1,0,0]=3 17450 B13R0.147 CNC(=O)CCCNCCCCOC 34a_100000740002_100000755781 [0,2,0,0,0,0|1,0,0]=3 17451 B13R0.147 CNC(=O)CCCNCCOCCO 2230a_100000211614_100000741757 [0,2,0,0,0,0|2,0,0]=4 17452 B13R0.147 CNC(=O)CCCNCCOCCO 2230a_100000740002_100011215305 [0,2,0,0,0,0|2,0,0]=4 17453 B13R0.147 CNC(=O)CCCNCCOCCO 34a_100000211614_100000741757 [0,2,0,0,0,0|2,0,0]=4 17454 B13R0.147 CNC(=O)CCCNCCOCCO 34a_100000740002_100000692535 [0,2,0,0,0,0|2,0,0]=4 17455 B13R0.147 CNC(=O)CCCNCCSCCO 2230a_100011219999_100000741757 [0,2,0,0,0,0|2,0,0]=4 17456 B13R0.147 CNC(=O)CCCNCOCCOC 2230a_100000740002_100000231047 [0,2,0,0,0,0|2,0,0]=4 17457 B13R0.147 CNC(=O)CCCOCCCCCBr 34a_100000746331_100000741757 [0,2,0,0,0,0|1,0,0]=3 17458 B13R0.147 CNC(=O)CCCOCCCCCBr 7a_100000746331_100000741757 [0,2,0,0,0,0|1,0,0]=3 17459 B13R0.147 CNC(=O)CCCOCCCCCCl 34a_100000746330_100000741757 [0,2,0,0,0,0|1,0,0]=3 17460 B13R0.147 CNC(=O)CCCOCCCCCCl 7a_100000746330_100000741757 [0,2,0,0,0,0|1,0,0]=3 17461 B13R0.147 CNC(=O)CCCOCCCCCI 34a_200012148887_100000741757 [0,2,0,0,0,0|1,0,0]=3 17462 B13R0.147 CNC(=O)CCCOCCCCCI 7a_200012148887_100000741757 [0,2,0,0,0,0|1,0,0]=3 17463 B13R0.147 CNC(=O)CCCOCCCCCN 34a_100000762737_100000741757 [0,2,0,0,0,0|1,0,0]=3 17464 B13R0.147 CNC(=O)CCCOCCCCOC 34a_100000740925_100000741757 [0,2,0,0,0,0|1,0,0]=3 17465 B13R0.147 CNC(=O)CCCOCCCCSC 34a_100011217163_100000741757 [0,2,0,0,0,0|1,0,0]=3 17466 B13R0.147 CNC(=O)CCCOCCCCSC 7a_100011217163_100000741757 [0,2,0,0,0,0|1,0,0]=3 17467 B13R0.147 CNC(=O)CCCOCCOCCBr 34a_100000692535_100000741757 [0,2,0,0,0,0|2,0,0]=4 17468 B13R0.147 CNC(=O)CCCOCCOCCBr 7a_100000692535_100000741757 [0,2,0,0,0,0|2,0,0]=4 17469 B13R0.147 CNC(=O)CCCOCCOCCCl 34a_100011215305_100000741757 [0,2,0,0,0,0|2,0,0]=4 17470 B13R0.147 CNC(=O)CCCOCCOCCCl 7a_100011215305_100000741757 [0,2,0,0,0,0|2,0,0]=4 17471 B13R0.147 CNC(=O)CCCOCCOCCF 34a_200015357709_100000741757 [0,2,0,0,0,0|2,0,0]=4 17472 B13R0.147 CNC(=O)CCCOCCOCCF 7a_200015357709_100000741757 [0,2,0,0,0,0|2,0,0]=4 17473 B13R0.147 CNC(=O)CCCOCCOCCI 34a_100012149058_100000741757 [0,2,0,0,0,0|2,0,0]=4 17474 B13R0.147 CNC(=O)CCCOCCOCCI 7a_100012149058_100000741757 [0,2,0,0,0,0|2,0,0]=4 17475 B13R0.147 CNC(=O)CCCOCCOCCN 34a_100000211614_100000741757 [0,2,0,0,0,0|2,0,0]=4 17476 B13R0.147 CNC(=O)CCCSCCCCC#N 62a_100000741757_100000211819 [0,2,0,0,0,0|1,0,1]=4 17477 B13R0.147 CNC(=O)CCCSCCCCC#N 62a_100011219923_100000741757 [0,2,0,0,0,0|1,0,1]=4 17478 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000139335_100000741757 [0,2,0,0,0,0|1,0,1]=4 17479 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000741757_100000139335 [0,2,0,0,0,0|1,0,1]=4 17480 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000729378_100000741757 [0,2,0,0,0,0|1,0,0]=3 17481 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000741757_100000729378 [0,2,0,0,0,0|1,0,0]=3 17482 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000741757_100000746330 [0,2,0,0,0,0|1,0,0]=3 17483 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000746330_100000741757 [0,2,0,0,0,0|1,0,0]=3 17484 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000730899_100000741757 [0,2,0,0,0,0|1,0,0]=3 17485 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000741757_100000730899 [0,2,0,0,0,0|1,0,0]=3 17486 B13R0.147 CNC(=O)CCCSCCOCCO 62a_100000741757_100011215305 [0,2,0,0,0,0|2,0,0]=4 17487 B13R0.147 CNC(=O)CCCSCCOCCO 62a_100011215305_100000741757 [0,2,0,0,0,0|2,0,0]=4 17488 B13R0.147 CNC(=O)CCCSCOCCOC 62a_100000231047_100000741757 [0,2,0,0,0,0|2,0,0]=4 17489 B13R0.147 CNC(=O)CCCSCOCCOC 62a_100000741757_100000231047 [0,2,0,0,0,0|2,0,0]=4 17490 B13R0.147 CNC(=O)CCNCCCCCC#N 2230a_100000738227_100009813376 [0,2,0,0,0,0|1,0,1]=4 17491 B13R0.147 CNC(=O)CCNCCCCCC=O 2230a_100000738227_100000139337 [0,2,0,0,0,0|1,0,1]=4 17492 B13R0.147 CNC(=O)CCNCCCCCCF 2230a_100000738227_100015922095 [0,2,0,0,0,0|1,0,0]=3 17493 B13R0.147 CNC(=O)CCNCCCCCCF 34a_100000738227_100015922095 [0,2,0,0,0,0|1,0,0]=3 17494 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000686447_100000737683 [0,2,0,0,0,0|1,0,0]=3 17495 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000738227_100000766143 [0,2,0,0,0,0|1,0,0]=3 17496 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000686447_100012179268 [0,2,0,0,0,0|1,0,0]=3 17497 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000738227_100000766143 [0,2,0,0,0,0|1,0,0]=3 17498 B13R0.147 CNC(=O)CCNCCCCCOC 2230a_100000747528_100000737683 [0,2,0,0,0,0|1,0,0]=3 17499 B13R0.147 CNC(=O)CCNCCCCCOC 34a_100000747528_100012179268 [0,2,0,0,0,0|1,0,0]=3 17500 B13R0.147 CNC(=O)CCNCCOCCOC 2230a_100000738227_100000695917 [0,2,0,0,0,0|2,0,0]=4 17501 B13R0.147 CNC(=O)CCNCCOCCOC 2230a_100000745349_100000737683 [0,2,0,0,0,0|2,0,0]=4 17502 B13R0.147 CNC(=O)CCNCCOCCOC 34a_100000738227_100000695917 [0,2,0,0,0,0|2,0,0]=4 17503 B13R0.147 CNC(=O)CCNCCOCCOC 34a_100000745349_100012179268 [0,2,0,0,0,0|2,0,0]=4 17504 B13R0.147 CNC(=O)CCOCCCCCCBr 34a_100011215345_100012179268 [0,2,0,0,0,0|1,0,0]=3 17505 B13R0.147 CNC(=O)CCOCCCCCCBr 7a_100011215345_100000737683 [0,2,0,0,0,0|1,0,0]=3 17506 B13R0.147 CNC(=O)CCOCCCCCCCl 34a_100000766143_100012179268 [0,2,0,0,0,0|1,0,0]=3 17507 B13R0.147 CNC(=O)CCOCCCCCCCl 7a_100000766143_100000737683 [0,2,0,0,0,0|1,0,0]=3 17508 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000732779_100012179268 [0,2,0,0,0,0|1,0,0]=3 17509 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000754576_100015922095 [0,2,0,0,0,0|1,0,0]=3 17510 B13R0.147 CNC(=O)CCOCCCCCCF 7a_100000732779_100000737683 [0,2,0,0,0,0|1,0,0]=3 17511 B13R0.147 CNC(=O)CCOCCCCCCN 34a_100000686447_100012179268 [0,2,0,0,0,0|1,0,0]=3 17512 B13R0.147 CNC(=O)CCOCCCCCCO 34a_100000754576_100000766143 [0,2,0,0,0,0|1,0,0]=3 17513 B13R0.147 CNC(=O)CCOCCOCCOC 11a_106832991635_100012278103 [0,2,0,0,0,0|2,0,0]=4 17514 B13R0.147 CNC(=O)CCOCCOCCOC 1626a_100102657272_100012278103 [0,2,0,0,0,0|2,0,0]=4 17515 B13R0.147 CNC(=O)CCOCCOCCOC 240690a_100102657272_100012278103 [0,2,0,0,0,0|2,0,0]=4 17516 B13R0.147 CNC(=O)CCOCCOCCOC 34a_100000754576_100000695917 [0,2,0,0,0,0|2,0,0]=4 17517 B13R0.147 CNC(=O)CCOCCOCCOC 34a_100011215163_100012179268 [0,2,0,0,0,0|2,0,0]=4 17518 B13R0.147 CNC(=O)CCOCCOCCOC 527a_100102657272_100012278103 [0,2,0,0,0,0|2,0,0]=4 17519 B13R0.147 CNC(=O)CCOCCOCCOC 7a_100011215163_100000737683 [0,2,0,0,0,0|2,0,0]=4 17520 B13R0.147 CNC(=O)CCSCCCCCC#N 62a_100000737683_100009813376 [0,2,0,0,0,0|1,0,1]=4 17521 B13R0.147 CNC(=O)CCSCCCCCC#N 62a_100009813376_100000737683 [0,2,0,0,0,0|1,0,1]=4 17522 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000139337_100000737683 [0,2,0,0,0,0|1,0,1]=4 17523 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000737683_100000139337 [0,2,0,0,0,0|1,0,1]=4 17524 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100000737683_100015922095 [0,2,0,0,0,0|1,0,0]=3 17525 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100015922095_100000737683 [0,2,0,0,0,0|1,0,0]=3 17526 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000737683_100000766143 [0,2,0,0,0,0|1,0,0]=3 17527 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000766143_100000737683 [0,2,0,0,0,0|1,0,0]=3 17528 B13R0.147 CNC(=O)CCSCCOCCOC 62a_100000695917_100000737683 [0,2,0,0,0,0|2,0,0]=4 17529 B13R0.147 CNC(=O)CCSCCOCCOC 62a_100000737683_100000695917 [0,2,0,0,0,0|2,0,0]=4 17530 B13R0.147 CNC(=O)CNCCCCCCC#N 2230a_100000693194_100009813337 [0,2,0,0,0,0|1,0,1]=4 17531 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100000693194_100000760002 [0,2,0,0,0,0|1,0,0]=3 17532 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100011996573_100000183359 [0,2,0,0,0,0|1,0,0]=3 17533 B13R0.147 CNC(=O)CNCCCCCCCO 34a_100011996573_100000183359 [0,2,0,0,0,0|1,0,0]=3 17534 B13R0.147 CNC(=O)CNCCCCCCOC 2230a_100000693194_100011998445 [0,2,0,0,0,0|1,0,0]=3 17535 B13R0.147 CNC(=O)CNCCCOCCCO 2230a_100011310245_100000183359 [0,2,0,0,0,0|2,0,0]=4 17536 B13R0.147 CNC(=O)CNCCCOCCCO 34a_100011310245_100000183359 [0,2,0,0,0,0|2,0,0]=4 17537 B13R0.147 CNC(=O)CNCCCOCCOC 2230a_100000206027_100000183359 [0,2,0,0,0,0|2,0,0]=4 17538 B13R0.147 CNC(=O)CNCCCOCCOC 2230a_100000693194_100011216529 [0,2,0,0,0,0|2,0,0]=4 17539 B13R0.147 CNC(=O)CNCCCOCCOC 34a_100000206027_100000183359 [0,2,0,0,0,0|2,0,0]=4 17540 B13R0.147 CNC(=O)COCCCCCCCBr 34a_100000760002_100000183359 [0,2,0,0,0,0|1,0,0]=3 17541 B13R0.147 CNC(=O)COCCCCCCCBr 7a_100000760002_100000183359 [0,2,0,0,0,0|1,0,0]=3 17542 B13R0.147 CNC(=O)COCCCCCCCN 34a_100011996573_100000183359 [0,2,0,0,0,0|1,0,0]=3 17543 B13R0.147 CNC(=O)COCCCCCCCO 34a_100000750040_100000760002 [0,2,0,0,0,0|1,0,0]=3 17544 B13R0.147 CNC(=O)COCCCCCCOC 34a_100000750040_100011998445 [0,2,0,0,0,0|1,0,0]=3 17545 B13R0.147 CNC(=O)COCCCCCCOC 34a_200012092642_100000183359 [0,2,0,0,0,0|1,0,0]=3 17546 B13R0.147 CNC(=O)COCCCCCCOC 7a_200012092642_100000183359 [0,2,0,0,0,0|1,0,0]=3 17547 B13R0.147 CNC(=O)COCCCOCCCN 34a_100011310245_100000183359 [0,2,0,0,0,0|2,0,0]=4 17548 B13R0.147 CNC(=O)COCCCOCCOC 34a_100000750040_100011216529 [0,2,0,0,0,0|2,0,0]=4 17549 B13R0.147 CNC(=O)CSCCCCCCC#N 62a_100000183359_100009813337 [0,2,0,0,0,0|1,0,1]=4 17550 B13R0.147 CNC(=O)CSCCCCCCC#N 62a_100009813337_100000183359 [0,2,0,0,0,0|1,0,1]=4 17551 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000183359_100000760002 [0,2,0,0,0,0|1,0,0]=3 17552 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000760002_100000183359 [0,2,0,0,0,0|1,0,0]=3 17553 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100000183359_100011998445 [0,2,0,0,0,0|1,0,0]=3 17554 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100011998445_100000183359 [0,2,0,0,0,0|1,0,0]=3 17555 B13R0.147 CNC(=O)CSCCCOCCOC 62a_100000183359_100011216529 [0,2,0,0,0,0|2,0,0]=4 17556 B13R0.147 CNC(=O)CSCCCOCCOC 62a_100011216529_100000183359 [0,2,0,0,0,0|2,0,0]=4 17557 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_100102657272_102515433106 [0,2,0,0,0,0|1,0,0]=3 17558 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_102515433106_106832991635 [0,2,0,0,0,0|1,0,0]=3 17559 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_100102657272_102515433106 [0,2,0,0,0,0|1,0,0]=3 17560 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_102515433106_100102657272 [0,2,0,0,0,0|1,0,0]=3 17561 B13R0.147 CNC(=O)NCCCCCCCCO 512a_102515433106_100102657272 [0,2,0,0,0,0|1,0,0]=3 17562 B13R0.147 CNC(=O)NCCCCCCCCO 512a_106832991638_102515433106 [0,2,0,0,0,0|1,0,0]=3 17563 B13R0.147 CNC(=O)NCCNCCCCCF 34a_100015205895_100000729378 [0,2,0,0,0,0|2,0,0]=4 17564 B13R0.147 CNC(=O)NCCNCCCCCO 34a_100015205895_100000746330 [0,2,0,0,0,0|2,0,0]=4 17565 B13R0.147 CNC(=O)NCCNCCCCOC 34a_100015205895_100000755781 [0,2,0,0,0,0|2,0,0]=4 17566 B13R0.147 CNC(=O)OCCNCCCCCO 34a_100000762737_200011997002 [0,2,0,0,0,0|2,0,0]=4 17567 B13R0.147 CNC(=O)OCCOCCCCCBr 34a_100000746331_200011997002 [0,2,0,0,0,0|2,0,0]=4 17568 B13R0.147 CNC(=O)OCCOCCCCCBr 7a_100000746331_200011997002 [0,2,0,0,0,0|2,0,0]=4 17569 B13R0.147 CNC(=O)OCCOCCCCCCl 34a_100000746330_200011997002 [0,2,0,0,0,0|2,0,0]=4 17570 B13R0.147 CNC(=O)OCCOCCCCCCl 7a_100000746330_200011997002 [0,2,0,0,0,0|2,0,0]=4 17571 B13R0.147 CNC(=O)OCCOCCCCCI 34a_200012148887_200011997002 [0,2,0,0,0,0|2,0,0]=4 17572 B13R0.147 CNC(=O)OCCOCCCCCI 7a_200012148887_200011997002 [0,2,0,0,0,0|2,0,0]=4 17573 B13R0.147 CNC(=O)OCCOCCCCCN 34a_100000762737_200011997002 [0,2,0,0,0,0|2,0,0]=4 17574 B13R0.147 CNC(=O)OCCOCCCCOC 34a_100000740925_200011997002 [0,2,0,0,0,0|2,0,0]=4 17575 B13R0.147 CNC(=O)OCCOCCCCSC 34a_100011217163_200011997002 [0,2,0,0,0,0|2,0,0]=4 17576 B13R0.147 CNC(=O)OCCOCCCCSC 7a_100011217163_200011997002 [0,2,0,0,0,0|2,0,0]=4 17577 B13R0.147 CNC(=O)OCCSCCCCCF 62a_100000729378_200011997002 [0,2,0,0,0,0|2,0,0]=4 17578 B13R0.147 CNC(=O)OCCSCCCCCF 62a_200011997002_100000729378 [0,2,0,0,0,0|2,0,0]=4 17579 B13R0.147 CNC(=O)OCCSCCCCCO 62a_100000746330_200011997002 [0,2,0,0,0,0|2,0,0]=4 17580 B13R0.147 CNC(=O)OCCSCCCCCO 62a_200011997002_100000746330 [0,2,0,0,0,0|2,0,0]=4 17581 B13R0.147 CNC(=O)OCCSCCCCOC 62a_100000730899_200011997002 [0,2,0,0,0,0|2,0,0]=4 17582 B13R0.147 CNC(=O)OCCSCCCCOC 62a_200011997002_100000730899 [0,2,0,0,0,0|2,0,0]=4 17583 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,2,0,0,0,0|0,0,0]=2 17584 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,2,0,0,0,0|0,0,0]=2 17585 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,2,0,0,0,0|0,0,0]=2 17586 B13R0.147 CNCCCCCOCCC(=O)NC 34a_100000722520_100012179268 [0,2,0,0,0,0|1,0,0]=3 17587 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,2,0,0,0,0|0,0,0]=2 17588 B13R0.147 CNCCCOCCCCC(=O)OC 34a_100000213112_100000204269 [0,2,0,0,0,0|0,0,0]=2 17589 B13R0.147 CNCCCOCCOCC(=O)OC 34a_100000213112_100000090808 [0,2,0,0,0,0|1,0,0]=3 17590 B13R0.147 CNCCOCCOCCC(=O)NC 34a_100000228057_100012179268 [0,2,0,0,0,0|2,0,0]=4 17591 B13R0.147 CNCCOCCOCCC(=O)OC 34a_100000228057_100000742370 [0,2,0,0,0,0|1,0,0]=3 17592 B13R0.147 COC(=O)/C=C/CNCCCCCO 2230a_100000762737_100000742655 [0,2,0,0,0,0|0,0,2]=4 17593 B13R0.147 COC(=O)/C=C/CNCCCCCO 34a_100000762737_100000742655 [0,2,0,0,0,0|0,0,2]=4 17594 B13R0.147 COC(=O)/C=C/COCCCCCBr 34a_100000746331_100000742655 [0,2,0,0,0,0|0,0,2]=4 17595 B13R0.147 COC(=O)/C=C/COCCCCCBr 7a_100000746331_100000742655 [0,2,0,0,0,0|0,0,2]=4 17596 B13R0.147 COC(=O)/C=C/COCCCCCCl 34a_100000746330_100000742655 [0,2,0,0,0,0|0,0,2]=4 17597 B13R0.147 COC(=O)/C=C/COCCCCCCl 7a_100000746330_100000742655 [0,2,0,0,0,0|0,0,2]=4 17598 B13R0.147 COC(=O)/C=C/COCCCCCI 34a_200012148887_100000742655 [0,2,0,0,0,0|0,0,2]=4 17599 B13R0.147 COC(=O)/C=C/COCCCCCI 7a_200012148887_100000742655 [0,2,0,0,0,0|0,0,2]=4 17600 B13R0.147 COC(=O)/C=C/COCCCCCN 34a_100000762737_100000742655 [0,2,0,0,0,0|0,0,2]=4 17601 B13R0.147 COC(=O)/C=C/COCCCCSC 34a_100011217163_100000742655 [0,2,0,0,0,0|0,0,2]=4 17602 B13R0.147 COC(=O)/C=C/COCCCCSC 7a_100011217163_100000742655 [0,2,0,0,0,0|0,0,2]=4 17603 B13R0.147 COC(=O)/C=C/CSCCCCCF 62a_100000729378_100000742655 [0,2,0,0,0,0|0,0,2]=4 17604 B13R0.147 COC(=O)/C=C/CSCCCCCF 62a_100000742655_100000729378 [0,2,0,0,0,0|0,0,2]=4 17605 B13R0.147 COC(=O)/C=C/CSCCCCCO 62a_100000742655_100000746330 [0,2,0,0,0,0|0,0,2]=4 17606 B13R0.147 COC(=O)/C=C/CSCCCCCO 62a_100000746330_100000742655 [0,2,0,0,0,0|0,0,2]=4 17607 B13R0.147 COC(=O)CCCCC=NNCCO 4a_100000210001_100000052768 [0,2,0,0,0,0|1,0,1]=4 17608 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,2,0,0,0,0|0,0,0]=2 17609 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,2,0,0,0,0|0,0,0]=2 17610 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,2,0,0,0,0|0,0,0]=2 17611 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,2,0,0,0,0|0,0,0]=2 17612 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,2,0,0,0,0|0,0,0]=2 17613 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,2,0,0,0,0|0,0,0]=2 17614 B13R0.147 COC(=O)CCCCCCCOCF 34a_100011022521_100015361967 [0,2,0,0,0,0|0,0,0]=2 17615 B13R0.147 COC(=O)CCCCCCCOCF 7a_100011022521_100015361967 [0,2,0,0,0,0|0,0,0]=2 17616 B13R0.147 COC(=O)CCCCCCCSCF 62a_100010004213_100015361967 [0,2,0,0,0,0|0,0,0]=2 17617 B13R0.147 COC(=O)CCCCCCCSCF 62a_100015361967_100010004213 [0,2,0,0,0,0|0,0,0]=2 17618 B13R0.147 COC(=O)CCCCCCNCCF 34a_100000724931_100009815986 [0,2,0,0,0,0|0,0,0]=2 17619 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,2,0,0,0,0|0,0,0]=2 17620 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,2,0,0,0,0|0,0,0]=2 17621 B13R0.147 COC(=O)CCCCCCOCC#N 7a_100009863599_100011215382 [0,2,0,0,0,0|0,0,1]=3 17622 B13R0.147 COC(=O)CCCCCCOCC=O 34a_100009863599_200009817547 [0,2,0,0,0,0|0,0,1]=3 17623 B13R0.147 COC(=O)CCCCCCOCC=O 7a_100009863599_200015260668 [0,2,0,0,0,0|0,0,1]=3 17624 B13R0.147 COC(=O)CCCCCCOCCBr 34a_100000211926_100009815986 [0,2,0,0,0,0|0,0,0]=2 17625 B13R0.147 COC(=O)CCCCCCOCCF 34a_100009863599_100011217306 [0,2,0,0,0,0|0,0,0]=2 17626 B13R0.147 COC(=O)CCCCCCOCCF 7a_100009863599_100011217306 [0,2,0,0,0,0|0,0,0]=2 17627 B13R0.147 COC(=O)CCCCCCOCCN 34a_100000210304_100009815986 [0,2,0,0,0,0|0,0,0]=2 17628 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,2,0,0,0,0|0,0,0]=2 17629 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,2,0,0,0,0|0,0,0]=2 17630 B13R0.147 COC(=O)CCCCCCOCSC 34a_100009863599_100011218213 [0,2,0,0,0,0|0,0,0]=2 17631 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100009815986_100011215382 [0,2,0,0,0,0|0,0,1]=3 17632 B13R0.147 COC(=O)CCCCCCSCC#N 62a_100011215382_100009815986 [0,2,0,0,0,0|0,0,1]=3 17633 B13R0.147 COC(=O)CCCCCCSCC=O 62a_100009815986_200015260668 [0,2,0,0,0,0|0,0,1]=3 17634 B13R0.147 COC(=O)CCCCCCSCC=O 62a_200015260668_100009815986 [0,2,0,0,0,0|0,0,1]=3 17635 B13R0.147 COC(=O)CCCCCCSCCF 62a_100009815986_100011217306 [0,2,0,0,0,0|0,0,0]=2 17636 B13R0.147 COC(=O)CCCCCCSCCF 62a_100011217306_100009815986 [0,2,0,0,0,0|0,0,0]=2 17637 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,2,0,0,0,0|0,0,0]=2 17638 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,2,0,0,0,0|0,0,0]=2 17639 B13R0.147 COC(=O)CCCCCCSCSC 62a_100009815986_100011218213 [0,2,0,0,0,0|0,0,0]=2 17640 B13R0.147 COC(=O)CCCCCCSCSC 62a_100011218213_100009815986 [0,2,0,0,0,0|0,0,0]=2 17641 B13R0.147 COC(=O)CCCCCNCCCF 2230a_100015189416_100009816466 [0,2,0,0,0,0|0,0,0]=2 17642 B13R0.147 COC(=O)CCCCCNCCCF 34a_100015189416_100009816466 [0,2,0,0,0,0|0,0,0]=2 17643 B13R0.147 COC(=O)CCCCCNCCSC 2230a_100020590264_100009816466 [0,2,0,0,0,0|0,0,0]=2 17644 B13R0.147 COC(=O)CCCCCOCCC#N 7a_100000074720_100000184422 [0,2,0,0,0,0|0,0,1]=3 17645 B13R0.147 COC(=O)CCCCCOCCCBr 34a_100011217188_100009816466 [0,2,0,0,0,0|0,0,0]=2 17646 B13R0.147 COC(=O)CCCCCOCCCCl 34a_100000230001_100009816466 [0,2,0,0,0,0|0,0,0]=2 17647 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000074720_100011934791 [0,2,0,0,0,0|0,0,0]=2 17648 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000759539_100009816466 [0,2,0,0,0,0|0,0,0]=2 17649 B13R0.147 COC(=O)CCCCCOCCCF 7a_100000074720_100011934791 [0,2,0,0,0,0|0,0,0]=2 17650 B13R0.147 COC(=O)CCCCCOCCCN 34a_100000182051_100009816466 [0,2,0,0,0,0|0,0,0]=2 17651 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,2,0,0,0,0|0,0,0]=2 17652 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,2,0,0,0,0|0,0,0]=2 17653 B13R0.147 COC(=O)CCCCCOCCON 34a_100000700252_100009816466 [0,2,0,0,0,0|1,0,0]=3 17654 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000074720_100000212216 [0,2,0,0,0,0|0,0,0]=2 17655 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000230434_100009816466 [0,2,0,0,0,0|0,0,0]=2 17656 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000074720_100000212216 [0,2,0,0,0,0|0,0,0]=2 17657 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000230434_100009816466 [0,2,0,0,0,0|0,0,0]=2 17658 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100009816466_100011215226 [0,2,0,0,0,0|0,0,1]=3 17659 B13R0.147 COC(=O)CCCCCSCCC#N 62a_100011215226_100009816466 [0,2,0,0,0,0|0,0,1]=3 17660 B13R0.147 COC(=O)CCCCCSCCCF 62a_100009816466_100011934791 [0,2,0,0,0,0|0,0,0]=2 17661 B13R0.147 COC(=O)CCCCCSCCCF 62a_100011934791_100009816466 [0,2,0,0,0,0|0,0,0]=2 17662 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,2,0,0,0,0|0,0,0]=2 17663 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,2,0,0,0,0|0,0,0]=2 17664 B13R0.147 COC(=O)CCCCCSCCSC 62a_100000212216_100009816466 [0,2,0,0,0,0|0,0,0]=2 17665 B13R0.147 COC(=O)CCCCCSCCSC 62a_100009816466_100000751147 [0,2,0,0,0,0|0,0,0]=2 17666 B13R0.147 COC(=O)CCCCCSCSC#N 62a_100000211825_100009816466 [0,2,0,0,0,0|1,0,1]=4 17667 B13R0.147 COC(=O)CCCCCSCSC#N 62a_100009816466_100000211825 [0,2,0,0,0,0|1,0,1]=4 17668 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,2,0,0,0,0|0,0,0]=2 17669 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,2,0,0,0,0|0,0,0]=2 17670 B13R0.147 COC(=O)CCCCNCCCSC 2230a_100000749238_100000204269 [0,2,0,0,0,0|0,0,0]=2 17671 B13R0.147 COC(=O)CCCCOCC#CCCl 34a_200000047223_100000204269 [0,2,0,0,0,0|0,0,2]=4 17672 B13R0.147 COC(=O)CCCCOCC#CCO 34a_100000059025_200000047223 [0,2,0,0,0,0|0,0,2]=4 17673 B13R0.147 COC(=O)CCCCOCC#CCO 7a_100000059025_200000047223 [0,2,0,0,0,0|0,0,2]=4 17674 B13R0.147 COC(=O)CCCCOCCCC#N 7a_100000059025_100000687738 [0,2,0,0,0,0|0,0,1]=3 17675 B13R0.147 COC(=O)CCCCOCCCC=O 7a_100000059025_200011292268 [0,2,0,0,0,0|0,0,1]=3 17676 B13R0.147 COC(=O)CCCCOCCCCBr 34a_100011216708_100000204269 [0,2,0,0,0,0|0,0,0]=2 17677 B13R0.147 COC(=O)CCCCOCCCCCl 34a_100000210776_100000204269 [0,2,0,0,0,0|0,0,0]=2 17678 B13R0.147 COC(=O)CCCCOCCCCCl 7a_100000210776_100000204269 [0,2,0,0,0,0|0,0,0]=2 17679 B13R0.147 COC(=O)CCCCOCCCCF 34a_100000059025_100000729493 [0,2,0,0,0,0|0,0,0]=2 17680 B13R0.147 COC(=O)CCCCOCCCCF 34a_100011995726_100000204269 [0,2,0,0,0,0|0,0,0]=2 17681 B13R0.147 COC(=O)CCCCOCCCCF 7a_100000059025_100000729493 [0,2,0,0,0,0|0,0,0]=2 17682 B13R0.147 COC(=O)CCCCOCCCCF 7a_100011995726_100000204269 [0,2,0,0,0,0|0,0,0]=2 17683 B13R0.147 COC(=O)CCCCOCCCCI 34a_200012148704_100000204269 [0,2,0,0,0,0|0,0,0]=2 17684 B13R0.147 COC(=O)CCCCOCCCCN 34a_100000750430_100000204269 [0,2,0,0,0,0|0,0,0]=2 17685 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,2,0,0,0,0|0,0,0]=2 17686 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,2,0,0,0,0|0,0,0]=2 17687 B13R0.147 COC(=O)CCCCOCCCSC 34a_100000690336_100000204269 [0,2,0,0,0,0|0,0,0]=2 17688 B13R0.147 COC(=O)CCCCOCCCSC 7a_100000690336_100000204269 [0,2,0,0,0,0|0,0,0]=2 17689 B13R0.147 COC(=O)CCCCSCC#CCO 62a_100000204269_200000047223 [0,2,0,0,0,0|0,0,2]=4 17690 B13R0.147 COC(=O)CCCCSCC#CCO 62a_200000047223_100000204269 [0,2,0,0,0,0|0,0,2]=4 17691 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000204269_100000687738 [0,2,0,0,0,0|0,0,1]=3 17692 B13R0.147 COC(=O)CCCCSCCCC#N 62a_100000687738_100000204269 [0,2,0,0,0,0|0,0,1]=3 17693 B13R0.147 COC(=O)CCCCSCCCC=O 62a_100000204269_200011292268 [0,2,0,0,0,0|0,0,1]=3 17694 B13R0.147 COC(=O)CCCCSCCCC=O 62a_200011292268_100000204269 [0,2,0,0,0,0|0,0,1]=3 17695 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000204269_100000729493 [0,2,0,0,0,0|0,0,0]=2 17696 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000729493_100000204269 [0,2,0,0,0,0|0,0,0]=2 17697 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,2,0,0,0,0|0,0,0]=2 17698 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,2,0,0,0,0|0,0,0]=2 17699 B13R0.147 COC(=O)CCCCSCCSC#N 62a_100000034367_100000204269 [0,2,0,0,0,0|1,0,1]=4 17700 B13R0.147 COC(=O)CCCCSCCSC#N 62a_100000204269_100000034367 [0,2,0,0,0,0|1,0,1]=4 17701 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,2,0,0,0,0|0,0,0]=2 17702 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,2,0,0,0,0|0,0,0]=2 17703 B13R0.147 COC(=O)CCCNCCCN=[N+]=[N-] 2230a_100000744732_100011218270 [0,2,0,0,0,0|2,0,0]=4 17704 B13R0.147 COC(=O)CCCNCCOCCO 2230a_100000211614_100011218270 [0,2,0,0,0,0|1,0,0]=3 17705 B13R0.147 COC(=O)CCCNCCOCCO 34a_100000211614_100000742333 [0,2,0,0,0,0|1,0,0]=3 17706 B13R0.147 COC(=O)CCCNCCSCCO 2230a_100011219999_100011218270 [0,2,0,0,0,0|1,0,0]=3 17707 B13R0.147 COC(=O)CCCOCCCCCBr 34a_100000746331_100000742333 [0,2,0,0,0,0|0,0,0]=2 17708 B13R0.147 COC(=O)CCCOCCCCCBr 7a_100000746331_100011218270 [0,2,0,0,0,0|0,0,0]=2 17709 B13R0.147 COC(=O)CCCOCCCCCCl 34a_100000746330_100000742333 [0,2,0,0,0,0|0,0,0]=2 17710 B13R0.147 COC(=O)CCCOCCCCCCl 7a_100000746330_100011218270 [0,2,0,0,0,0|0,0,0]=2 17711 B13R0.147 COC(=O)CCCOCCCCCI 34a_200012148887_100000742333 [0,2,0,0,0,0|0,0,0]=2 17712 B13R0.147 COC(=O)CCCOCCCCCI 7a_200012148887_100011218270 [0,2,0,0,0,0|0,0,0]=2 17713 B13R0.147 COC(=O)CCCOCCCCCN 34a_100000762737_100000742333 [0,2,0,0,0,0|0,0,0]=2 17714 B13R0.147 COC(=O)CCCOCCCCSC 34a_100011217163_100000742333 [0,2,0,0,0,0|0,0,0]=2 17715 B13R0.147 COC(=O)CCCOCCCCSC 7a_100011217163_100011218270 [0,2,0,0,0,0|0,0,0]=2 17716 B13R0.147 COC(=O)CCCOCCOCCBr 34a_100000692535_100000742333 [0,2,0,0,0,0|1,0,0]=3 17717 B13R0.147 COC(=O)CCCOCCOCCBr 7a_100000692535_100011218270 [0,2,0,0,0,0|1,0,0]=3 17718 B13R0.147 COC(=O)CCCOCCOCCCl 34a_100011215305_100000742333 [0,2,0,0,0,0|1,0,0]=3 17719 B13R0.147 COC(=O)CCCOCCOCCCl 7a_100011215305_100011218270 [0,2,0,0,0,0|1,0,0]=3 17720 B13R0.147 COC(=O)CCCOCCOCCF 34a_200015357709_100000742333 [0,2,0,0,0,0|1,0,0]=3 17721 B13R0.147 COC(=O)CCCOCCOCCF 7a_200015357709_100011218270 [0,2,0,0,0,0|1,0,0]=3 17722 B13R0.147 COC(=O)CCCOCCOCCI 34a_100012149058_100000742333 [0,2,0,0,0,0|1,0,0]=3 17723 B13R0.147 COC(=O)CCCOCCOCCI 7a_100012149058_100011218270 [0,2,0,0,0,0|1,0,0]=3 17724 B13R0.147 COC(=O)CCCOCCOCCN 34a_100000211614_100000742333 [0,2,0,0,0,0|1,0,0]=3 17725 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011218270_100000211819 [0,2,0,0,0,0|0,0,1]=3 17726 B13R0.147 COC(=O)CCCSCCCCC#N 62a_100011219923_100011218270 [0,2,0,0,0,0|0,0,1]=3 17727 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100000139335_100011218270 [0,2,0,0,0,0|0,0,1]=3 17728 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100011218270_100000139335 [0,2,0,0,0,0|0,0,1]=3 17729 B13R0.147 COC(=O)CCCSCCCCCF 62a_100000729378_100011218270 [0,2,0,0,0,0|0,0,0]=2 17730 B13R0.147 COC(=O)CCCSCCCCCF 62a_100011218270_100000729378 [0,2,0,0,0,0|0,0,0]=2 17731 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,2,0,0,0,0|0,0,0]=2 17732 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,2,0,0,0,0|0,0,0]=2 17733 B13R0.147 COC(=O)CCCSCCOCC#N 62a_100011218270_200000047693 [0,2,0,0,0,0|1,0,1]=4 17734 B13R0.147 COC(=O)CCCSCCOCC#N 62a_200000047693_100011218270 [0,2,0,0,0,0|1,0,1]=4 17735 B13R0.147 COC(=O)CCCSCCOCCO 62a_100011215305_100011218270 [0,2,0,0,0,0|1,0,0]=3 17736 B13R0.147 COC(=O)CCCSCCOCCO 62a_100011218270_100011215305 [0,2,0,0,0,0|1,0,0]=3 17737 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,2,0,0,0,0|0,0,0]=2 17738 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,2,0,0,0,0|0,0,0]=2 17739 B13R0.147 COC(=O)CCNCCCCN=[N+]=[N-] 2230a_100000101370_100000204255 [0,2,0,0,0,0|2,0,0]=4 17740 B13R0.147 COC(=O)CCOCCCCCCBr 34a_100011215345_100000742370 [0,2,0,0,0,0|0,0,0]=2 17741 B13R0.147 COC(=O)CCOCCCCCCBr 7a_100011215345_100000204255 [0,2,0,0,0,0|0,0,0]=2 17742 B13R0.147 COC(=O)CCOCCCCCCCl 34a_100000766143_100000742370 [0,2,0,0,0,0|0,0,0]=2 17743 B13R0.147 COC(=O)CCOCCCCCCCl 7a_100000766143_100000204255 [0,2,0,0,0,0|0,0,0]=2 17744 B13R0.147 COC(=O)CCOCCCCCCF 34a_100000732779_100000742370 [0,2,0,0,0,0|0,0,0]=2 17745 B13R0.147 COC(=O)CCOCCCCCCF 7a_100000732779_100000204255 [0,2,0,0,0,0|0,0,0]=2 17746 B13R0.147 COC(=O)CCOCCCCCCN 34a_100000686447_100000742370 [0,2,0,0,0,0|0,0,0]=2 17747 B13R0.147 COC(=O)CCOCCOCCO[13CH3] 34a_100010982084_200025704644 [0,2,0,0,0,0|1,0,0]=3 17748 B13R0.147 COC(=O)CCOCCOCCO[13CH3] 7a_100010982084_200025704644 [0,2,0,0,0,0|1,0,0]=3 17749 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100000204255_100009813376 [0,2,0,0,0,0|0,0,1]=3 17750 B13R0.147 COC(=O)CCSCCCCCC#N 62a_100009813376_100000204255 [0,2,0,0,0,0|0,0,1]=3 17751 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000139337_100000204255 [0,2,0,0,0,0|0,0,1]=3 17752 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000204255_100000139337 [0,2,0,0,0,0|0,0,1]=3 17753 B13R0.147 COC(=O)CCSCCCCCCF 62a_100000204255_100015922095 [0,2,0,0,0,0|0,0,0]=2 17754 B13R0.147 COC(=O)CCSCCCCCCF 62a_100015922095_100000204255 [0,2,0,0,0,0|0,0,0]=2 17755 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,2,0,0,0,0|0,0,0]=2 17756 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,2,0,0,0,0|0,0,0]=2 17757 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,2,0,0,0,0|0,0,0]=2 17758 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,2,0,0,0,0|0,0,0]=2 17759 B13R0.147 COC(=O)CNCCCOCCCO 2230a_100011310245_100000747449 [0,2,0,0,0,0|1,0,0]=3 17760 B13R0.147 COC(=O)CNCCCOCCCO 34a_100011310245_100000747449 [0,2,0,0,0,0|1,0,0]=3 17761 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,2,0,0,0,0|0,0,0]=2 17762 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,2,0,0,0,0|0,0,0]=2 17763 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,2,0,0,0,0|0,0,0]=2 17764 B13R0.147 COC(=O)COCCCOCCCN 34a_100011310245_100000747449 [0,2,0,0,0,0|1,0,0]=3 17765 B13R0.147 COC(=O)COCCNCCCCO 2230a_100000750430_100000090808 [0,2,0,0,0,0|1,0,0]=3 17766 B13R0.147 COC(=O)COCCNCCCCO 34a_100000750430_100000090808 [0,2,0,0,0,0|1,0,0]=3 17767 B13R0.147 COC(=O)COCCNCCCSC 2230a_100000749238_100000090808 [0,2,0,0,0,0|1,0,0]=3 17768 B13R0.147 COC(=O)COCCOCCCCBr 34a_100011216708_100000090808 [0,2,0,0,0,0|1,0,0]=3 17769 B13R0.147 COC(=O)COCCOCCCCCl 34a_100000210776_100000090808 [0,2,0,0,0,0|1,0,0]=3 17770 B13R0.147 COC(=O)COCCOCCCCCl 7a_100000210776_100000090808 [0,2,0,0,0,0|1,0,0]=3 17771 B13R0.147 COC(=O)COCCOCCCCF 34a_100011995726_100000090808 [0,2,0,0,0,0|1,0,0]=3 17772 B13R0.147 COC(=O)COCCOCCCCF 7a_100011995726_100000090808 [0,2,0,0,0,0|1,0,0]=3 17773 B13R0.147 COC(=O)COCCOCCCCI 34a_200012148704_100000090808 [0,2,0,0,0,0|1,0,0]=3 17774 B13R0.147 COC(=O)COCCOCCCCN 34a_100000750430_100000090808 [0,2,0,0,0,0|1,0,0]=3 17775 B13R0.147 COC(=O)COCCOCCCSC 34a_100000690336_100000090808 [0,2,0,0,0,0|1,0,0]=3 17776 B13R0.147 COC(=O)COCCOCCCSC 7a_100000690336_100000090808 [0,2,0,0,0,0|1,0,0]=3 17777 B13R0.147 COC(=O)COCCOCCOCF 34a_100011023656_100015361967 [0,2,0,0,0,0|2,0,0]=4 17778 B13R0.147 COC(=O)COCCOCCOCF 7a_100011023656_100015361967 [0,2,0,0,0,0|2,0,0]=4 17779 B13R0.147 COC(=O)COCCSCCCC#N 62a_100000090808_100000687738 [0,2,0,0,0,0|1,0,1]=4 17780 B13R0.147 COC(=O)COCCSCCCC#N 62a_100000687738_100000090808 [0,2,0,0,0,0|1,0,1]=4 17781 B13R0.147 COC(=O)COCCSCCCC=O 62a_100000090808_200011292268 [0,2,0,0,0,0|1,0,1]=4 17782 B13R0.147 COC(=O)COCCSCCCC=O 62a_200011292268_100000090808 [0,2,0,0,0,0|1,0,1]=4 17783 B13R0.147 COC(=O)COCCSCCCCF 62a_100000090808_100000729493 [0,2,0,0,0,0|1,0,0]=3 17784 B13R0.147 COC(=O)COCCSCCCCF 62a_100000729493_100000090808 [0,2,0,0,0,0|1,0,0]=3 17785 B13R0.147 COC(=O)COCCSCCCCO 62a_100000090808_100000210776 [0,2,0,0,0,0|1,0,0]=3 17786 B13R0.147 COC(=O)COCCSCCCCO 62a_100000210776_100000090808 [0,2,0,0,0,0|1,0,0]=3 17787 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100000747449_100009813337 [0,2,0,0,0,0|0,0,1]=3 17788 B13R0.147 COC(=O)CSCCCCCCC#N 62a_100009813337_100000747449 [0,2,0,0,0,0|0,0,1]=3 17789 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,2,0,0,0,0|0,0,0]=2 17790 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,2,0,0,0,0|0,0,0]=2 17791 B13R0.147 COC(=O)NCCOCCCCCF 34a_100000757965_100000729378 [0,2,0,0,0,0|1,0,0]=3 17792 B13R0.147 COC(=O)NCCOCCCCCO 34a_100000757965_100000746330 [0,2,0,0,0,0|1,0,0]=3 17793 B13R0.147 COC(=O)NCCOCCOCCO 34a_100000757965_100000692535 [0,2,0,0,0,0|2,0,0]=4 17794 B13R0.147 COC(=O)OCCOCCCCCF 34a_100010262106_100000729378 [0,2,0,0,0,0|1,0,0]=3 17795 B13R0.147 COC(=O)OCCOCCCCCO 34a_100010262106_100000746330 [0,2,0,0,0,0|1,0,0]=3 17796 B13R0.147 COC(=O)OCCOCCOCCO 34a_100010262106_100000692535 [0,2,0,0,0,0|2,0,0]=4 17797 B13R0.147 COC(=O)OCSCCCCCC#N 62a_100009813376_100000139417 [0,2,0,0,0,0|1,0,1]=4 17798 B13R0.147 COC(=O)OCSCCCCCC=O 62a_100000139337_100000139417 [0,2,0,0,0,0|1,0,1]=4 17799 B13R0.147 COC(=O)OCSCCCCCCF 62a_100015922095_100000139417 [0,2,0,0,0,0|1,0,0]=3 17800 B13R0.147 COC(=O)OCSCCCCCCO 62a_100000766143_100000139417 [0,2,0,0,0,0|1,0,0]=3 17801 B13R0.147 COC(C)CCOCCCCCCF 7a_100000764861_100015922095 [0,2,0,0,0,0|1,0,1]=4 17802 B13R0.147 COC(C)CCOCCCCCCO 7a_100000764861_100000766143 [0,2,0,0,0,0|1,0,1]=4 17803 B13R0.147 COC(C)COCCCCCCCO 34a_100000690652_100000760002 [0,2,0,0,0,0|1,0,1]=4 17804 B13R0.147 COC(C)SCCCCCCCCO 62a_100000033203_100009879195 [0,2,0,0,0,0|1,0,1]=4 17805 B13R0.147 COC(C)SCCCCCCCCO 62a_100009879195_100000033203 [0,2,0,0,0,0|1,0,1]=4 17806 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,2,0,0,0,0|0,0,0]=2 17807 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,2,0,0,0,0|0,0,0]=2 17808 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,2,0,0,0,0|0,0,0]=2 17809 B13R0.147 COCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011998445 [0,2,0,0,0,0|1,0,1]=4 17810 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,2,0,0,0,0|0,0,0]=2 17811 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,2,0,0,0,0|0,0,0]=2 17812 B13R0.147 COCCCCCCOCC(C)OC 34a_100000690652_100011998445 [0,2,0,0,0,0|1,0,1]=4 17813 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,2,0,0,0,0|0,0,0]=2 17814 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,2,0,0,0,0|0,0,0]=2 17815 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,2,0,0,0,0|0,0,0]=2 17816 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,2,0,0,0,0|0,0,0]=2 17817 B13R0.147 COCCCCOC/C=C/C(=O)OC 34a_100000740925_100000742655 [0,2,0,0,0,0|0,0,2]=4 17818 B13R0.147 COCCCCOCCCC(=O)NN 34a_100000211488_100000755781 [0,2,0,0,0,0|2,0,0]=4 17819 B13R0.147 COCCCCOCCCC(=O)OC 34a_100000740925_100000742333 [0,2,0,0,0,0|0,0,0]=2 17820 B13R0.147 COCCCCOCCNC(=O)OC 34a_100000757965_100000755781 [0,2,0,0,0,0|1,0,0]=3 17821 B13R0.147 COCCCCOCCOC(=O)OC 34a_100010262106_100000755781 [0,2,0,0,0,0|1,0,0]=3 17822 B13R0.147 COCCCCSC/C=C/C(=O)OC 62a_100000730899_100000742655 [0,2,0,0,0,0|0,0,2]=4 17823 B13R0.147 COCCCCSC/C=C/C(=O)OC 62a_100000742655_100000730899 [0,2,0,0,0,0|0,0,2]=4 17824 B13R0.147 COCCCCSCCCC(=O)OC 62a_100000730899_100011218270 [0,2,0,0,0,0|0,0,0]=2 17825 B13R0.147 COCCCCSCCCC(=O)OC 62a_100011218270_100000730899 [0,2,0,0,0,0|0,0,0]=2 17826 B13R0.147 COCCCNCCCCC(=O)OC 34a_100150723488_100000204269 [0,2,0,0,0,0|0,0,0]=2 17827 B13R0.147 COCCCNCCOCC(=O)OC 34a_100150723488_100000090808 [0,2,0,0,0,0|1,0,0]=3 17828 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000059025_100000740836 [0,2,0,0,0,0|0,0,0]=2 17829 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000740835_100000204269 [0,2,0,0,0,0|0,0,0]=2 17830 B13R0.147 COCCCOCCCCC(=O)OC 7a_100000059025_100000740836 [0,2,0,0,0,0|0,0,0]=2 17831 B13R0.147 COCCCOCCOCC(=O)OC 34a_100000740835_100000090808 [0,2,0,0,0,0|1,0,0]=3 17832 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000204269_100000709357 [0,2,0,0,0,0|0,0,0]=2 17833 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000709357_100000204269 [0,2,0,0,0,0|0,0,0]=2 17834 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000090808_100000709357 [0,2,0,0,0,0|1,0,0]=3 17835 B13R0.147 COCCCSCCOCC(=O)OC 62a_100000709357_100000090808 [0,2,0,0,0,0|1,0,0]=3 17836 B13R0.147 COCCNCCCCCC(=O)OC 2230a_100000209980_100009816466 [0,2,0,0,0,0|0,0,0]=2 17837 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000074720_100011201679 [0,2,0,0,0,0|0,0,0]=2 17838 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000210237_100009816466 [0,2,0,0,0,0|0,0,0]=2 17839 B13R0.147 COCCOCCCCCC(=O)OC 7a_100000074720_100000233755 [0,2,0,0,0,0|0,0,0]=2 17840 B13R0.147 COCCOCCCNCC(=O)OC 2230a_100000206027_100000747449 [0,2,0,0,0,0|1,0,0]=3 17841 B13R0.147 COCCOCCCNCC(=O)OC 34a_100000206027_100000747449 [0,2,0,0,0,0|1,0,0]=3 17842 B13R0.147 COCCOCCCSCC(=O)OC 62a_100000747449_100011216529 [0,2,0,0,0,0|1,0,0]=3 17843 B13R0.147 COCCOCCCSCC(=O)OC 62a_100011216529_100000747449 [0,2,0,0,0,0|1,0,0]=3 17844 B13R0.147 COCCOCCNCCC(=O)OC 2230a_100000745349_100000204255 [0,2,0,0,0,0|1,0,0]=3 17845 B13R0.147 COCCOCCNCCC(=O)OC 34a_100000745349_100000742370 [0,2,0,0,0,0|1,0,0]=3 17846 B13R0.147 COCCOCCOCCC(=O)OC 34a_100010982084_200000210301 [0,2,0,0,0,0|1,0,0]=3 17847 B13R0.147 COCCOCCOCCC(=O)OC 34a_100011215163_100000742370 [0,2,0,0,0,0|1,0,0]=3 17848 B13R0.147 COCCOCCOCCC(=O)OC 7a_100010982084_200000210301 [0,2,0,0,0,0|1,0,0]=3 17849 B13R0.147 COCCOCCOCCC(=O)OC 7a_100011215163_100000204255 [0,2,0,0,0,0|1,0,0]=3 17850 B13R0.147 COCCOCCSCCC(=O)OC 62a_100000204255_100000695917 [0,2,0,0,0,0|1,0,0]=3 17851 B13R0.147 COCCOCCSCCC(=O)OC 62a_100000695917_100000204255 [0,2,0,0,0,0|1,0,0]=3 17852 B13R0.147 COCCOCCSCOC(=O)OC 62a_100000695917_100000139417 [0,2,0,0,0,0|2,0,0]=4 17853 B13R0.147 COCCOCSCCCC(=O)OC 62a_100000231047_100011218270 [0,2,0,0,0,0|1,0,0]=3 17854 B13R0.147 COCCOCSCCCC(=O)OC 62a_100011218270_100000231047 [0,2,0,0,0,0|1,0,0]=3 17855 B13R0.147 COCCSCCCCCC(=O)OC 62a_100000233755_100009816466 [0,2,0,0,0,0|0,0,0]=2 17856 B13R0.147 COCCSCCCCCC(=O)OC 62a_100009816466_100000233755 [0,2,0,0,0,0|0,0,0]=2 17857 B13R0.147 COCSCCCCCCC(=O)OC 62a_100000766300_100009815986 [0,2,0,0,0,0|0,0,0]=2 17858 B13R0.147 COCSCCCCCCC(=O)OC 62a_100009815986_100000766300 [0,2,0,0,0,0|0,0,0]=2 17859 B13R0.147 CO[C@H](C)CNCCCCCCCO 2230a_100020591295_100000760002 [0,2,0,0,0,0|1,0,1]=4 17860 B13R0.147 NNC(=O)CCCOCCCCCF 34a_100000211488_100000729378 [0,2,0,0,0,0|2,0,0]=4 17861 B13R0.147 NNC(=O)CCCOCCCCCO 34a_100000211488_100000746330 [0,2,0,0,0,0|2,0,0]=4 17862 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,2,0,0,0,0|2,0,0]=4 17863 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,2,0,0,0,0|2,0,0]=4 17864 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,2,0,0,0,0|2,0,0]=4 17865 B13R0.150 C#CCCCCCCCC(=O)C(=C)C 1458a_100000185857_100153394163 [0,2,0,0,0,0|1,0,1]=4 17866 B13R0.150 C#CCCCCCCCC(=O)C(C)C 1458a_100000087357_100000210206 [0,2,0,0,0,0|1,0,1]=4 17867 B13R0.150 C#CCCCCCCCC(=O)C(C)C 1458a_100000210198_100153394163 [0,2,0,0,0,0|1,0,1]=4 17868 B13R0.150 C#CCCCCCCCC(=O)C(C)F 1458a_100000062450_100153394163 [0,2,0,0,0,0|1,0,1]=4 17869 B13R0.150 C#CCCCCCCCC(=O)N(C)C 11a_100102631434_100000087357 [0,2,0,0,0,0|1,0,1]=4 17870 B13R0.150 C#CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000087357 [0,2,0,0,0,0|1,0,1]=4 17871 B13R0.150 C#CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000087357 [0,2,0,0,0,0|1,0,1]=4 17872 B13R0.150 C#CCCCCCCCC(=O)N(C)C 527a_100102631434_100000087357 [0,2,0,0,0,0|1,0,1]=4 17873 B13R0.150 C#CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100153394163 [0,2,0,0,0,0|1,0,1]=4 17874 B13R0.150 C#CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100153394163 [0,2,0,0,0,0|1,0,1]=4 17875 B13R0.150 C=C(Br)C(=O)NCCCCCCCC 11a_100000229939_100009813364 [0,2,0,0,0,0|1,0,1]=4 17876 B13R0.150 C=C(Br)C(=O)NCCCCCCCC 1626a_100000229939_100009813364 [0,2,0,0,0,0|1,0,1]=4 17877 B13R0.150 C=C(C)C(=O)CCCC#CCCCC 1458a_100000185857_200000047210 [0,2,0,0,0,0|1,0,1]=4 17878 B13R0.150 C=C(C)C(=O)CCCCCCCCC 1458a_100000185857_100000210670 [0,2,0,0,0,0|1,0,0]=3 17879 B13R0.150 C=C(C)C(=O)CCCCCCCCO 1458a_100000185857_100000033203 [0,2,0,0,0,0|1,0,0]=3 17880 B13R0.150 C=C(C)C(=O)NCCCCCCCC 11a_100000229939_100000185857 [0,2,0,0,0,0|1,0,0]=3 17881 B13R0.150 C=C(C)C(=O)NCCCCCCCC 1626a_100000229939_100000185857 [0,2,0,0,0,0|1,0,0]=3 17882 B13R0.150 C=C(C)C(=O)NCCCNCCCC 2230a_100016987756_100000210211 [0,2,0,0,0,0|2,0,0]=4 17883 B13R0.150 C=C(C)C(=O)NCCCOCCCC 1626a_200000211371_100000185857 [0,2,0,0,0,0|2,0,0]=4 17884 B13R0.150 C=C(C)C(=O)NCCNCCCCC 2230a_100102636416_100000210326 [0,2,0,0,0,0|2,0,0]=4 17885 B13R0.150 C=C(C)C(=O)OCCCCCCNC 2230a_106832991635_200010402237 [0,2,0,0,0,0|2,0,0]=4 17886 B13R0.150 C=C(C)C(=O)OCCCCCCNC 34a_100102657272_200010402237 [0,2,0,0,0,0|2,0,0]=4 17887 B13R0.150 C=C(C)C(=O)OCCCCCCNC 7a_106832991635_200010402237 [0,2,0,0,0,0|2,0,0]=4 17888 B13R0.150 C=C(C)C(=O)OCCCCCCOC 34a_100138415774_200010402237 [0,2,0,0,0,0|2,0,0]=4 17889 B13R0.150 C=C(C)C(=O)OCCCCCCSC 62a_200000210301_200010402237 [0,2,0,0,0,0|2,0,0]=4 17890 B13R0.150 C=C(C)C(=O)OCCCCCCSC 62a_200010402237_200000210301 [0,2,0,0,0,0|2,0,0]=4 17891 B13R0.150 C=C(C)C(=O)OCCCCCCS[13CH3] 62a_200010402237_200025704644 [0,2,0,0,0,0|2,0,0]=4 17892 B13R0.150 C=C(C)C(=O)OCCCCCCS[13CH3] 62a_200025704644_200010402237 [0,2,0,0,0,0|2,0,0]=4 17893 B13R0.150 C=C(C)C(=O)OCCCCOCCC 7a_100000065474_100000210303 [0,2,0,0,0,0|2,0,0]=4 17894 B13R0.150 C=C(C)C(=O)OCCCOCCCC 7a_100000032641_100000210211 [0,2,0,0,0,0|2,0,0]=4 17895 B13R0.150 C=C(C)C(=O)OCCNCCCCC 2230a_100000209983_100009816335 [0,2,0,0,0,0|2,0,0]=4 17896 B13R0.150 C=C(C)C(=O)OCCOCCCCC 34a_100000210253_100009816335 [0,2,0,0,0,0|2,0,0]=4 17897 B13R0.150 C=C(C)C(=O)OCCOCCCCC 7a_100000210253_100009816335 [0,2,0,0,0,0|2,0,0]=4 17898 B13R0.150 C=C(C)C(=O)OCCSCCCCC 62a_100000210326_100009816335 [0,2,0,0,0,0|2,0,0]=4 17899 B13R0.150 C=C(C)C(=O)OCCSCCCCC 62a_100009816335_100000210326 [0,2,0,0,0,0|2,0,0]=4 17900 B13R0.150 C=C(Cl)C(=O)NCCCCCCCC 11a_100000229939_100000039160 [0,2,0,0,0,0|1,0,1]=4 17901 B13R0.150 C=C(Cl)C(=O)NCCCCCCCC 1626a_100000229939_100000039160 [0,2,0,0,0,0|1,0,1]=4 17902 B13R0.150 C=C(F)C(=O)NCCCCCCCC 11a_100000229939_100000036797 [0,2,0,0,0,0|1,0,1]=4 17903 B13R0.150 C=C(F)C(=O)NCCCCCCCC 1626a_100000229939_100000036797 [0,2,0,0,0,0|1,0,1]=4 17904 B13R0.150 C=CCCCCCCCC(=O)C(=C)C 1458a_100000185857_100012355270 [0,2,0,0,0,0|1,0,1]=4 17905 B13R0.150 C=CCCCCCCCC(=O)C(C)C 1458a_100000210198_100012355270 [0,2,0,0,0,0|1,0,1]=4 17906 B13R0.150 C=CCCCCCCCC(=O)C(C)C 1458a_100011216160_100000210206 [0,2,0,0,0,0|1,0,1]=4 17907 B13R0.150 C=CCCCCCCCC(=O)C(C)F 1458a_100000062450_100012355270 [0,2,0,0,0,0|1,0,1]=4 17908 B13R0.150 C=CCCCCCCCC(=O)N(C)C 11a_100102631434_100011216160 [0,2,0,0,0,0|1,0,1]=4 17909 B13R0.150 C=CCCCCCCCC(=O)N(C)C 1626a_100102631434_100011216160 [0,2,0,0,0,0|1,0,1]=4 17910 B13R0.150 C=CCCCCCCCC(=O)N(C)C 240690a_100102631434_100011216160 [0,2,0,0,0,0|1,0,1]=4 17911 B13R0.150 C=CCCCCCCCC(=O)N(C)C 527a_100102631434_100011216160 [0,2,0,0,0,0|1,0,1]=4 17912 B13R0.150 C=CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012355270 [0,2,0,0,0,0|1,0,1]=4 17913 B13R0.150 C=CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012355270 [0,2,0,0,0,0|1,0,1]=4 17914 B13R0.150 CC(=O)C(=O)CNCCCCCCO 34a_100000686447_100011261029 [0,2,0,0,0,0|2,0,0]=4 17915 B13R0.150 CC(=O)C(=O)COCCCCCCBr 34a_100011215345_100011261029 [0,2,0,0,0,0|2,0,0]=4 17916 B13R0.150 CC(=O)C(=O)COCCCCCCCl 34a_100000766143_100011261029 [0,2,0,0,0,0|2,0,0]=4 17917 B13R0.150 CC(=O)C(=O)COCCCCCCF 34a_100000732779_100011261029 [0,2,0,0,0,0|2,0,0]=4 17918 B13R0.150 CC(=O)C(=O)COCCCCCCN 34a_100000686447_100011261029 [0,2,0,0,0,0|2,0,0]=4 17919 B13R0.150 CC(=O)C(=O)CSCCCCCCF 62a_100011261029_100015922095 [0,2,0,0,0,0|2,0,0]=4 17920 B13R0.150 CC(=O)C(=O)CSCCCCCCF 62a_100015922095_100011261029 [0,2,0,0,0,0|2,0,0]=4 17921 B13R0.150 CC(=O)C(=O)CSCCCCCCO 62a_100000766143_100011261029 [0,2,0,0,0,0|2,0,0]=4 17922 B13R0.150 CC(=O)C(=O)CSCCCCCCO 62a_100011261029_100000766143 [0,2,0,0,0,0|2,0,0]=4 17923 B13R0.150 CC(C)C(=O)CCCCCCCCO 1458a_100000210198_100000033203 [0,2,0,0,0,0|1,0,0]=3 17924 B13R0.150 CC(C)C(=O)CNCCCCCCO 2230a_100000686447_100000753385 [0,2,0,0,0,0|2,0,0]=4 17925 B13R0.150 CC(C)C(=O)CNCCCCCCO 34a_100000686447_100000753385 [0,2,0,0,0,0|2,0,0]=4 17926 B13R0.150 CC(C)C(=O)COCCCCCCBr 34a_100011215345_100000753385 [0,2,0,0,0,0|2,0,0]=4 17927 B13R0.150 CC(C)C(=O)COCCCCCCBr 7a_100011215345_100000753385 [0,2,0,0,0,0|2,0,0]=4 17928 B13R0.150 CC(C)C(=O)COCCCCCCCl 34a_100000766143_100000753385 [0,2,0,0,0,0|2,0,0]=4 17929 B13R0.150 CC(C)C(=O)COCCCCCCCl 7a_100000766143_100000753385 [0,2,0,0,0,0|2,0,0]=4 17930 B13R0.150 CC(C)C(=O)COCCCCCCF 34a_100000732779_100000753385 [0,2,0,0,0,0|2,0,0]=4 17931 B13R0.150 CC(C)C(=O)COCCCCCCF 7a_100000732779_100000753385 [0,2,0,0,0,0|2,0,0]=4 17932 B13R0.150 CC(C)C(=O)COCCCCCCN 34a_100000686447_100000753385 [0,2,0,0,0,0|2,0,0]=4 17933 B13R0.150 CC(C)C(=O)CSCCCCCCF 62a_100000753385_100015922095 [0,2,0,0,0,0|2,0,0]=4 17934 B13R0.150 CC(C)C(=O)CSCCCCCCF 62a_100015922095_100000753385 [0,2,0,0,0,0|2,0,0]=4 17935 B13R0.150 CC(C)C(=O)CSCCCCCCO 62a_100000753385_100000766143 [0,2,0,0,0,0|2,0,0]=4 17936 B13R0.150 CC(C)C(=O)CSCCCCCCO 62a_100000766143_100000753385 [0,2,0,0,0,0|2,0,0]=4 17937 B13R0.150 CC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000210198 [0,2,0,0,0,0|2,0,0]=4 17938 B13R0.150 CC(F)C(=O)CCCCCCCCO 1458a_100000062450_100000033203 [0,2,0,0,0,0|1,0,0]=3 17939 B13R0.150 CC(F)C(=O)NCCCCCCCO 240690a_100011996573_100000062450 [0,2,0,0,0,0|2,0,0]=4 17940 B13R0.150 CCCCC#CCCCC(=O)C(C)C 1458a_100000210198_200000047210 [0,2,0,0,0,0|1,0,1]=4 17941 B13R0.150 CCCCC#CCCCC(=O)C(C)F 1458a_100000062450_200000047210 [0,2,0,0,0,0|1,0,1]=4 17942 B13R0.150 CCCCC#CCCCC(=O)[C@@H](C)O 1458a_100000717761_200000047210 [0,2,0,0,0,0|1,0,1]=4 17943 B13R0.150 CCCCC#CCCCC(=O)[C@H](C)O 1458a_217856618621_200000047210 [0,2,0,0,0,0|1,0,1]=4 17944 B13R0.150 CCCCC/C=C/CCC(=O)C(C)C 1458a_200015255902_100000210206 [0,2,0,0,0,0|1,0,1]=4 17945 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 11a_100102631434_200015255902 [0,2,0,0,0,0|1,0,1]=4 17946 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 1626a_100102631434_200015255902 [0,2,0,0,0,0|1,0,1]=4 17947 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 240690a_100102631434_200015255902 [0,2,0,0,0,0|1,0,1]=4 17948 B13R0.150 CCCCC/C=C/CCC(=O)N(C)C 527a_100102631434_200015255902 [0,2,0,0,0,0|1,0,1]=4 17949 B13R0.150 CCCCCC/C=C/CC(=O)C(C)C 1458a_100020681715_100000210206 [0,2,0,0,0,0|1,0,1]=4 17950 B13R0.150 CCCCCC/C=C/CC(=O)N(C)C 11a_100102631434_100020681715 [0,2,0,0,0,0|1,0,1]=4 17951 B13R0.150 CCCCCC/C=C/CC(=O)N(C)C 1626a_100102631434_100020681715 [0,2,0,0,0,0|1,0,1]=4 17952 B13R0.150 CCCCCC/C=C/CC(=O)N(C)C 240690a_100102631434_100020681715 [0,2,0,0,0,0|1,0,1]=4 17953 B13R0.150 CCCCCCCC=CC(=O)C(C)C 1458a_200015332781_100000210206 [0,2,0,0,0,0|1,0,1]=4 17954 B13R0.150 CCCCCCCC=CC(=O)N(C)C 11a_100102631434_200015332781 [0,2,0,0,0,0|1,0,1]=4 17955 B13R0.150 CCCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015332781 [0,2,0,0,0,0|1,0,1]=4 17956 B13R0.150 CCCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015332781 [0,2,0,0,0,0|1,0,1]=4 17957 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210670 [0,2,0,0,0,0|1,0,0]=3 17958 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210558_100000210206 [0,2,0,0,0,0|1,0,0]=3 17959 B13R0.150 CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210670 [0,2,0,0,0,0|1,0,0]=3 17960 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [0,2,0,0,0,0|2,0,0]=4 17961 B13R0.150 CCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210558 [0,2,0,0,0,0|1,0,0]=3 17962 B13R0.150 CCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210558 [0,2,0,0,0,0|1,0,0]=3 17963 B13R0.150 CCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210558 [0,2,0,0,0,0|1,0,0]=3 17964 B13R0.150 CCCCCCCCCC(=O)N(C)C 527a_100102631434_100000210558 [0,2,0,0,0,0|1,0,0]=3 17965 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [0,2,0,0,0,0|1,0,0]=3 17966 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [0,2,0,0,0,0|1,0,0]=3 17967 B13R0.150 CCCCCCCCNC(=O)C(=O)N 240690a_100000229939_100011215815 [0,2,0,0,0,0|2,0,0]=4 17968 B13R0.150 CCCCCCCCNC(=O)C(C)C 11a_100000229939_100000210198 [0,2,0,0,0,0|1,0,0]=3 17969 B13R0.150 CCCCCCCCNC(=O)C(C)C 1626a_100000229939_100000210198 [0,2,0,0,0,0|1,0,0]=3 17970 B13R0.150 CCCCCCCCNC(=O)C(C)C 240690a_100000229939_100000210198 [0,2,0,0,0,0|1,0,0]=3 17971 B13R0.150 CCCCCCCCNC(=O)C(C)C 527a_100000229939_100000210198 [0,2,0,0,0,0|1,0,0]=3 17972 B13R0.150 CCCCCCCCNC(=O)C(C)F 11a_100000229939_100000062450 [0,2,0,0,0,0|1,0,0]=3 17973 B13R0.150 CCCCCCCCNC(=O)C(C)F 1626a_100000229939_100000062450 [0,2,0,0,0,0|1,0,0]=3 17974 B13R0.150 CCCCCCCCNC(=O)C(C)F 240690a_100000229939_100000062450 [0,2,0,0,0,0|1,0,0]=3 17975 B13R0.150 CCCCCCCCNC(=O)C(C)F 527a_100000229939_100000062450 [0,2,0,0,0,0|1,0,0]=3 17976 B13R0.150 CCCCCCCCNC(=O)C(F)F 11a_100000229939_100000210393 [0,2,0,0,0,0|2,0,0]=4 17977 B13R0.150 CCCCCCCCNC(=O)C(F)F 1626a_100000229939_100000210393 [0,2,0,0,0,0|2,0,0]=4 17978 B13R0.150 CCCCCCCCNC(=O)C(F)F 240690a_100000229939_100000210393 [0,2,0,0,0,0|2,0,0]=4 17979 B13R0.150 CCCCCCCCNC(=O)C(F)F 527a_100000229939_100000210393 [0,2,0,0,0,0|2,0,0]=4 17980 B13R0.150 CCCCCCCCNC(=O)C(O)O 240690a_100000229939_100000233687 [0,2,0,0,0,0|2,0,0]=4 17981 B13R0.150 CCCCCCCCNC(=O)N(C)C 2708a_100000229939_100102631434 [0,2,0,0,0,0|1,0,0]=3 17982 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O 240690a_100000229939_100000717761 [0,2,0,0,0,0|1,0,0]=3 17983 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 1626a_100000229939_217856618621 [0,2,0,0,0,0|1,0,0]=3 17984 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 240690a_100000229939_217856618621 [0,2,0,0,0,0|1,0,0]=3 17985 B13R0.150 CCCCCCCNCC(=O)C(C)C 2230a_100000229938_100000753385 [0,2,0,0,0,0|1,0,0]=3 17986 B13R0.150 CCCCCCCNCC(=O)N(C)C 2230a_100000229938_100000185267 [0,2,0,0,0,0|1,0,0]=3 17987 B13R0.150 CCCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210681 [0,2,0,0,0,0|1,0,0]=3 17988 B13R0.150 CCCCCCCOCC(=O)C(=O)C 34a_100000210272_100011261029 [0,2,0,0,0,0|1,0,0]=3 17989 B13R0.150 CCCCCCCOCC(=O)C(C)C 34a_100000210272_100000753385 [0,2,0,0,0,0|1,0,0]=3 17990 B13R0.150 CCCCCCCOCC(=O)C(C)C 7a_100000210272_100000753385 [0,2,0,0,0,0|1,0,0]=3 17991 B13R0.150 CCCCCCCOCC(=O)N(C)C 34a_100000210272_100000692301 [0,2,0,0,0,0|1,0,0]=3 17992 B13R0.150 CCCCCCCOCC(=O)N(C)C 7a_100000210272_100000692301 [0,2,0,0,0,0|1,0,0]=3 17993 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100000210614_100011261029 [0,2,0,0,0,0|1,0,0]=3 17994 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210316 [0,2,0,0,0,0|1,0,0]=3 17995 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000210614_100000753385 [0,2,0,0,0,0|1,0,0]=3 17996 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210316 [0,2,0,0,0,0|1,0,0]=3 17997 B13R0.150 CCCCCCCSCC(=O)N(C)C 62a_100000210614_100000692301 [0,2,0,0,0,0|1,0,0]=3 17998 B13R0.150 CCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210316 [0,2,0,0,0,0|1,0,0]=3 17999 B13R0.150 CCCCCCNCCC(=O)N(C)C 2230a_100000210581_100000737620 [0,2,0,0,0,0|1,0,0]=3 18000 B13R0.150 CCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210314 [0,2,0,0,0,0|1,0,0]=3 18001 B13R0.150 CCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210314 [0,2,0,0,0,0|1,0,0]=3 18002 B13R0.150 CCCCCCOCCC(=O)N(C)C 7a_100000210259_100000737620 [0,2,0,0,0,0|1,0,0]=3 18003 B13R0.150 CCCCCCSCCC(=O)N(C)C 62a_100000210314_100000737620 [0,2,0,0,0,0|1,0,0]=3 18004 B13R0.150 CCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210757 [0,2,0,0,0,0|1,0,0]=3 18005 B13R0.150 CCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210757 [0,2,0,0,0,0|2,0,0]=4 18006 B13R0.150 CCCCCCSCOC(=O)C(C)C 62a_100000210314_100000139345 [0,2,0,0,0,0|2,0,0]=4 18007 B13R0.150 CCCCCNCCCC(=O)N(C)C 2230a_100000209983_100000737642 [0,2,0,0,0,0|1,0,0]=3 18008 B13R0.150 CCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210326 [0,2,0,0,0,0|1,0,0]=3 18009 B13R0.150 CCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210326 [0,2,0,0,0,0|2,0,0]=4 18010 B13R0.150 CCCCCNCCNC(=O)C(C)C 34a_100000752568_100000718602 [0,2,0,0,0,0|2,0,0]=4 18011 B13R0.150 CCCCCOCCCC(=O)N(C)C 7a_100000210253_100000737642 [0,2,0,0,0,0|1,0,0]=3 18012 B13R0.150 CCCCCSCCCC(=O)N(C)C 62a_100000210326_100000737642 [0,2,0,0,0,0|1,0,0]=3 18013 B13R0.150 CCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210326 [0,2,0,0,0,0|1,0,0]=3 18014 B13R0.150 CCCCNCCCCC(=O)N(C)C 7a_106832991798_100000752486 [0,2,0,0,0,0|1,0,0]=3 18015 B13R0.150 CCCCOCCCCC(=O)N(C)C 34a_100000210227_100000752486 [0,2,0,0,0,0|1,0,0]=3 18016 B13R0.150 CCCCOCCCCC(=O)N(C)C 7a_100000210227_100000752486 [0,2,0,0,0,0|1,0,0]=3 18017 B13R0.150 CCCCOCCCNC(=O)C(C)C 1626a_200000211371_100000210198 [0,2,0,0,0,0|2,0,0]=4 18018 B13R0.150 CCCCOCCCNC(=O)C(C)C 240690a_200000211371_100000210198 [0,2,0,0,0,0|2,0,0]=4 18019 B13R0.150 CCCCOCCCNC(=O)C(C)C 527a_200000211371_100000210198 [0,2,0,0,0,0|2,0,0]=4 18020 B13R0.150 CCCCOCCCNC(=O)C(C)F 1626a_200000211371_100000062450 [0,2,0,0,0,0|2,0,0]=4 18021 B13R0.150 CCCCOCCCNC(=O)C(C)F 240690a_200000211371_100000062450 [0,2,0,0,0,0|2,0,0]=4 18022 B13R0.150 CCCCOCCCNC(=O)C(C)F 527a_200000211371_100000062450 [0,2,0,0,0,0|2,0,0]=4 18023 B13R0.150 CCCCOCCCNC(=O)N(C)C 2708a_200000211371_100102631434 [0,2,0,0,0,0|2,0,0]=4 18024 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O 240690a_200000211371_100000717761 [0,2,0,0,0,0|2,0,0]=4 18025 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 1626a_200000211371_217856618621 [0,2,0,0,0,0|2,0,0]=4 18026 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 240690a_200000211371_217856618621 [0,2,0,0,0,0|2,0,0]=4 18027 B13R0.150 CCCCOCCNCC(=O)N(C)C 2230a_100015183351_100000743108 [0,2,0,0,0,0|2,0,0]=4 18028 B13R0.150 CCCCOCCOCC(=O)C(=O)C 34a_100000210238_100011261029 [0,2,0,0,0,0|2,0,0]=4 18029 B13R0.150 CCCCOCCOCC(=O)C(C)C 1458a_100011216887_100000210206 [0,2,0,0,0,0|2,0,0]=4 18030 B13R0.150 CCCCOCCOCC(=O)C(C)C 34a_100000210238_100000753385 [0,2,0,0,0,0|2,0,0]=4 18031 B13R0.150 CCCCOCCOCC(=O)C(C)C 7a_100000210238_100000753385 [0,2,0,0,0,0|2,0,0]=4 18032 B13R0.150 CCCCOCCOCC(=O)N(C)C 11a_100102631434_100011216887 [0,2,0,0,0,0|2,0,0]=4 18033 B13R0.150 CCCCOCCOCC(=O)N(C)C 1626a_100102631434_100011216887 [0,2,0,0,0,0|2,0,0]=4 18034 B13R0.150 CCCCOCCOCC(=O)N(C)C 240690a_100102631434_100011216887 [0,2,0,0,0,0|2,0,0]=4 18035 B13R0.150 CCCCOCCOCC(=O)N(C)C 34a_100000210238_100000692301 [0,2,0,0,0,0|2,0,0]=4 18036 B13R0.150 CCCCOCCOCC(=O)N(C)C 527a_100102631434_100011216887 [0,2,0,0,0,0|2,0,0]=4 18037 B13R0.150 CCCCOCCOCC(=O)N(C)C 7a_100000210238_100000692301 [0,2,0,0,0,0|2,0,0]=4 18038 B13R0.150 CCCCOCCSCC(=O)C(=O)C 62a_100000743108_100011261029 [0,2,0,0,0,0|2,0,0]=4 18039 B13R0.150 CCCCOCCSCC(=O)C(=O)C 62a_100011261029_100000743108 [0,2,0,0,0,0|2,0,0]=4 18040 B13R0.150 CCCCOCCSCC(=O)C(C)C 62a_100000743108_100000753385 [0,2,0,0,0,0|2,0,0]=4 18041 B13R0.150 CCCCOCCSCC(=O)C(C)C 62a_100000753385_100000743108 [0,2,0,0,0,0|2,0,0]=4 18042 B13R0.150 CCCCOCCSCC(=O)N(C)C 62a_100000692301_100000743108 [0,2,0,0,0,0|2,0,0]=4 18043 B13R0.150 CCCCOCCSCC(=O)N(C)C 62a_100000743108_100000692301 [0,2,0,0,0,0|2,0,0]=4 18044 B13R0.150 CCCCOCNCCC(=O)N(C)C 2230a_100000738053_100011995733 [0,2,0,0,0,0|2,0,0]=4 18045 B13R0.150 CCCCOCOCCC(=O)N(C)C 34a_200000747469_100011995733 [0,2,0,0,0,0|2,0,0]=4 18046 B13R0.150 CCCCOCSCCC(=O)N(C)C 62a_100000737620_100011995733 [0,2,0,0,0,0|2,0,0]=4 18047 B13R0.150 CCCCOCSCCC(=O)N(C)C 62a_100011995733_100000737620 [0,2,0,0,0,0|2,0,0]=4 18048 B13R0.150 CCCCSCCCCC(=O)N(C)C 62a_100000210211_100000752486 [0,2,0,0,0,0|1,0,0]=3 18049 B13R0.150 CCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210210 [0,2,0,0,0,0|1,0,0]=3 18050 B13R0.150 CCCCSCCNCC(=O)C(C)C 2230a_100025743550_100000753385 [0,2,0,0,0,0|2,0,0]=4 18051 B13R0.150 CCCCSCCNCC(=O)N(C)C 2230a_100025743550_100000185267 [0,2,0,0,0,0|2,0,0]=4 18052 B13R0.150 CCCCSCCOCC(=O)C(=O)C 34a_200000230436_100011261029 [0,2,0,0,0,0|2,0,0]=4 18053 B13R0.150 CCCCSCCOCC(=O)C(C)C 34a_200000230436_100000753385 [0,2,0,0,0,0|2,0,0]=4 18054 B13R0.150 CCCCSCCOCC(=O)C(C)C 7a_200000230436_100000753385 [0,2,0,0,0,0|2,0,0]=4 18055 B13R0.150 CCCCSCCOCC(=O)N(C)C 34a_200000230436_100000692301 [0,2,0,0,0,0|2,0,0]=4 18056 B13R0.150 CCCCSCCOCC(=O)N(C)C 7a_200000230436_100000692301 [0,2,0,0,0,0|2,0,0]=4 18057 B13R0.150 CCCOCCCNCC(=O)C(=O)C 34a_100011217757_100011261029 [0,2,0,0,0,0|2,0,0]=4 18058 B13R0.150 CCCOCCCNCC(=O)C(C)C 2230a_100011217757_100000753385 [0,2,0,0,0,0|2,0,0]=4 18059 B13R0.150 CCCOCCCNCC(=O)C(C)C 34a_100011217757_100000753385 [0,2,0,0,0,0|2,0,0]=4 18060 B13R0.150 CCCOCCCNCC(=O)N(C)C 2230a_100011217757_100000185267 [0,2,0,0,0,0|2,0,0]=4 18061 B13R0.150 CCCOCCCNCC(=O)N(C)C 34a_100011217757_100000692301 [0,2,0,0,0,0|2,0,0]=4 18062 B13R0.150 CCCOCCNCCC(=O)N(C)C 2230a_100000738053_100011215938 [0,2,0,0,0,0|2,0,0]=4 18063 B13R0.150 CCCOCCNCCC(=O)N(C)C 2230a_100161115042_100000737620 [0,2,0,0,0,0|2,0,0]=4 18064 B13R0.150 CCCOCCOCCC(=O)N(C)C 34a_200000747469_100011215938 [0,2,0,0,0,0|2,0,0]=4 18065 B13R0.150 CCCOCCOCCC(=O)N(C)C 7a_100000752267_100000737620 [0,2,0,0,0,0|2,0,0]=4 18066 B13R0.150 CCCOCCSCCC(=O)N(C)C 62a_100000737620_100011215938 [0,2,0,0,0,0|2,0,0]=4 18067 B13R0.150 CCCOCCSCCC(=O)N(C)C 62a_100011215938_100000737620 [0,2,0,0,0,0|2,0,0]=4 18068 B13R0.150 CCCSCCNCCC(=O)N(C)C 2230a_100020603323_100000737620 [0,2,0,0,0,0|2,0,0]=4 18069 B13R0.150 CCCSCCOCCC(=O)N(C)C 7a_200000230433_100000737620 [0,2,0,0,0,0|2,0,0]=4 18070 B13R0.150 CCOCCCNCCC(=O)N(C)C 2230a_100000210961_100000737620 [0,2,0,0,0,0|2,0,0]=4 18071 B13R0.150 CCOCCCNCCC(=O)N(C)C 2230a_100000738053_100012232248 [0,2,0,0,0,0|2,0,0]=4 18072 B13R0.150 CCOCCCOCCC(=O)N(C)C 34a_200000747469_100012232248 [0,2,0,0,0,0|2,0,0]=4 18073 B13R0.150 CCOCCCOCCC(=O)N(C)C 7a_100000757476_100000737620 [0,2,0,0,0,0|2,0,0]=4 18074 B13R0.150 CCOCCCSCCC(=O)N(C)C 62a_100000737620_100012232248 [0,2,0,0,0,0|2,0,0]=4 18075 B13R0.150 CCOCCCSCCC(=O)N(C)C 62a_100012232248_100000737620 [0,2,0,0,0,0|2,0,0]=4 18076 B13R0.150 CCOCCNCCCC(=O)N(C)C 2230a_102516460346_100000737642 [0,2,0,0,0,0|2,0,0]=4 18077 B13R0.150 CCOCCNCCCC(=O)N(C)C 2230a_200000744827_100011215890 [0,2,0,0,0,0|2,0,0]=4 18078 B13R0.150 CCOCCOCCCC(=O)N(C)C 7a_100000210136_100000737642 [0,2,0,0,0,0|2,0,0]=4 18079 B13R0.150 CCOCCSCCCC(=O)N(C)C 62a_100000210147_100000737642 [0,2,0,0,0,0|2,0,0]=4 18080 B13R0.150 CCOCCSCCCC(=O)N(C)C 62a_100000737642_100011215890 [0,2,0,0,0,0|2,0,0]=4 18081 B13R0.150 CCOCSCCCCC(=O)N(C)C 62a_100000739092_100000752486 [0,2,0,0,0,0|2,0,0]=4 18082 B13R0.150 CCOCSCCCCC(=O)N(C)C 62a_100000752486_100000739092 [0,2,0,0,0,0|2,0,0]=4 18083 B13R0.150 CCSCCCOCCC(=O)N(C)C 7a_100011216438_100000737620 [0,2,0,0,0,0|2,0,0]=4 18084 B13R0.150 CCSCCNCCCC(=O)N(C)C 2230a_100000106463_100000737642 [0,2,0,0,0,0|2,0,0]=4 18085 B13R0.150 CCSCCNCCCC(=O)N(C)C 2230a_200000744827_100000757381 [0,2,0,0,0,0|2,0,0]=4 18086 B13R0.150 CCSCCOCCCC(=O)N(C)C 7a_100000212035_100000737642 [0,2,0,0,0,0|2,0,0]=4 18087 B13R0.150 CCSCCSCCCC(=O)N(C)C 62a_100000737642_100000757381 [0,2,0,0,0,0|2,0,0]=4 18088 B13R0.150 CCSCCSCCCC(=O)N(C)C 62a_100000757381_100000737642 [0,2,0,0,0,0|2,0,0]=4 18089 B13R0.150 CN(C)C(=O)CCCCCCCCO 240690a_100102631434_100000015970 [0,2,0,0,0,0|1,0,0]=3 18090 B13R0.150 CN(C)C(=O)CCCCNCCCF 34a_100015189416_100000752486 [0,2,0,0,0,0|2,0,0]=4 18091 B13R0.150 CN(C)C(=O)CCCCOCCCBr 34a_100011217188_100000752486 [0,2,0,0,0,0|2,0,0]=4 18092 B13R0.150 CN(C)C(=O)CCCCOCCCCl 34a_100000230001_100000752486 [0,2,0,0,0,0|2,0,0]=4 18093 B13R0.150 CN(C)C(=O)CCCCOCCCF 34a_100000759539_100000752486 [0,2,0,0,0,0|2,0,0]=4 18094 B13R0.150 CN(C)C(=O)CCCCOCCCN 34a_100000182051_100000752486 [0,2,0,0,0,0|2,0,0]=4 18095 B13R0.150 CN(C)C(=O)CCCCSCCCF 62a_100000752486_100011934791 [0,2,0,0,0,0|2,0,0]=4 18096 B13R0.150 CN(C)C(=O)CCCCSCCCF 62a_100011934791_100000752486 [0,2,0,0,0,0|2,0,0]=4 18097 B13R0.150 CN(C)C(=O)CCCCSCCCO 62a_100000752486_100011215043 [0,2,0,0,0,0|2,0,0]=4 18098 B13R0.150 CN(C)C(=O)CCCCSCCCO 62a_100011215043_100000752486 [0,2,0,0,0,0|2,0,0]=4 18099 B13R0.150 CN(C)C(=O)CCCNCCCCF 2230a_200000744827_100000729493 [0,2,0,0,0,0|2,0,0]=4 18100 B13R0.150 CN(C)C(=O)CCCNCCCCO 2230a_100000750430_100000737642 [0,2,0,0,0,0|2,0,0]=4 18101 B13R0.150 CN(C)C(=O)CCCNCCCCO 2230a_200000744827_100000210776 [0,2,0,0,0,0|2,0,0]=4 18102 B13R0.150 CN(C)C(=O)CCCOCCCCCl 7a_100000210776_100000737642 [0,2,0,0,0,0|2,0,0]=4 18103 B13R0.150 CN(C)C(=O)CCCOCCCCF 7a_100011995726_100000737642 [0,2,0,0,0,0|2,0,0]=4 18104 B13R0.150 CN(C)C(=O)CCCSCCCCF 62a_100000729493_100000737642 [0,2,0,0,0,0|2,0,0]=4 18105 B13R0.150 CN(C)C(=O)CCCSCCCCF 62a_100000737642_100000729493 [0,2,0,0,0,0|2,0,0]=4 18106 B13R0.150 CN(C)C(=O)CCCSCCCCO 62a_100000210776_100000737642 [0,2,0,0,0,0|2,0,0]=4 18107 B13R0.150 CN(C)C(=O)CCCSCCCCO 62a_100000737642_100000210776 [0,2,0,0,0,0|2,0,0]=4 18108 B13R0.150 CN(C)C(=O)CCNCCCCCF 2230a_100000738053_100000729378 [0,2,0,0,0,0|2,0,0]=4 18109 B13R0.150 CN(C)C(=O)CCNCCCCCO 2230a_100000738053_100000746330 [0,2,0,0,0,0|2,0,0]=4 18110 B13R0.150 CN(C)C(=O)CCNCCCCCO 2230a_100000762737_100000737620 [0,2,0,0,0,0|2,0,0]=4 18111 B13R0.150 CN(C)C(=O)CCOCCCCCBr 7a_100000746331_100000737620 [0,2,0,0,0,0|2,0,0]=4 18112 B13R0.150 CN(C)C(=O)CCOCCCCCCl 7a_100000746330_100000737620 [0,2,0,0,0,0|2,0,0]=4 18113 B13R0.150 CN(C)C(=O)CCOCCCCCF 34a_200000747469_100000729378 [0,2,0,0,0,0|2,0,0]=4 18114 B13R0.150 CN(C)C(=O)CCOCCCCCI 7a_200012148887_100000737620 [0,2,0,0,0,0|2,0,0]=4 18115 B13R0.150 CN(C)C(=O)CCOCCCCCO 34a_200000747469_100000746330 [0,2,0,0,0,0|2,0,0]=4 18116 B13R0.150 CN(C)C(=O)CCSCCCCCF 62a_100000729378_100000737620 [0,2,0,0,0,0|2,0,0]=4 18117 B13R0.150 CN(C)C(=O)CCSCCCCCF 62a_100000737620_100000729378 [0,2,0,0,0,0|2,0,0]=4 18118 B13R0.150 CN(C)C(=O)CCSCCCCCO 62a_100000737620_100000746330 [0,2,0,0,0,0|2,0,0]=4 18119 B13R0.150 CN(C)C(=O)CCSCCCCCO 62a_100000746330_100000737620 [0,2,0,0,0,0|2,0,0]=4 18120 B13R0.150 CN(C)C(=O)CNCCCCCCF 2230a_100015183351_100015922095 [0,2,0,0,0,0|2,0,0]=4 18121 B13R0.150 CN(C)C(=O)CNCCCCCCO 2230a_100000686447_100000185267 [0,2,0,0,0,0|2,0,0]=4 18122 B13R0.150 CN(C)C(=O)CNCCCCCCO 2230a_100015183351_100000766143 [0,2,0,0,0,0|2,0,0]=4 18123 B13R0.150 CN(C)C(=O)CNCCCCCCO 34a_100000686447_100000692301 [0,2,0,0,0,0|2,0,0]=4 18124 B13R0.150 CN(C)C(=O)COCCCCCCBr 34a_100011215345_100000692301 [0,2,0,0,0,0|2,0,0]=4 18125 B13R0.150 CN(C)C(=O)COCCCCCCBr 7a_100011215345_100000692301 [0,2,0,0,0,0|2,0,0]=4 18126 B13R0.150 CN(C)C(=O)COCCCCCCCl 34a_100000766143_100000692301 [0,2,0,0,0,0|2,0,0]=4 18127 B13R0.150 CN(C)C(=O)COCCCCCCCl 7a_100000766143_100000692301 [0,2,0,0,0,0|2,0,0]=4 18128 B13R0.150 CN(C)C(=O)COCCCCCCF 34a_100000732779_100000692301 [0,2,0,0,0,0|2,0,0]=4 18129 B13R0.150 CN(C)C(=O)COCCCCCCF 7a_100000732779_100000692301 [0,2,0,0,0,0|2,0,0]=4 18130 B13R0.150 CN(C)C(=O)COCCCCCCN 34a_100000686447_100000692301 [0,2,0,0,0,0|2,0,0]=4 18131 B13R0.150 CN(C)C(=O)CSCCCCCCF 62a_100000692301_100015922095 [0,2,0,0,0,0|2,0,0]=4 18132 B13R0.150 CN(C)C(=O)CSCCCCCCF 62a_100015922095_100000692301 [0,2,0,0,0,0|2,0,0]=4 18133 B13R0.150 CN(C)C(=O)CSCCCCCCO 62a_100000692301_100000766143 [0,2,0,0,0,0|2,0,0]=4 18134 B13R0.150 CN(C)C(=O)CSCCCCCCO 62a_100000766143_100000692301 [0,2,0,0,0,0|2,0,0]=4 18135 B13R0.150 CN(C)C(=O)NCCCCCCCO 2708a_100011996573_100102631434 [0,2,0,0,0,0|2,0,0]=4 18136 B13R0.150 CNCCCCCOCC(=O)C(=O)C 34a_100000722520_100011261029 [0,2,0,0,0,0|2,0,0]=4 18137 B13R0.150 CNCCCCCOCC(=O)C(C)C 34a_100000722520_100000753385 [0,2,0,0,0,0|2,0,0]=4 18138 B13R0.150 CNCCCCCOCC(=O)N(C)C 34a_100000722520_100000692301 [0,2,0,0,0,0|2,0,0]=4 18139 B13R0.150 COCCCCCNCC(=O)C(=O)C 34a_100000747528_100011261029 [0,2,0,0,0,0|2,0,0]=4 18140 B13R0.150 COCCCCCNCC(=O)C(C)C 2230a_100000747528_100000753385 [0,2,0,0,0,0|2,0,0]=4 18141 B13R0.150 COCCCCCNCC(=O)C(C)C 34a_100000747528_100000753385 [0,2,0,0,0,0|2,0,0]=4 18142 B13R0.150 COCCCCCNCC(=O)N(C)C 2230a_100000747528_100000185267 [0,2,0,0,0,0|2,0,0]=4 18143 B13R0.150 COCCCCCNCC(=O)N(C)C 34a_100000747528_100000692301 [0,2,0,0,0,0|2,0,0]=4 18144 B13R0.150 COCCCCNCCC(=O)N(C)C 2230a_100000738053_100000730899 [0,2,0,0,0,0|2,0,0]=4 18145 B13R0.150 COCCCCOCCC(=O)N(C)C 34a_200000747469_100000755781 [0,2,0,0,0,0|2,0,0]=4 18146 B13R0.150 COCCCCSCCC(=O)N(C)C 62a_100000730899_100000737620 [0,2,0,0,0,0|2,0,0]=4 18147 B13R0.150 COCCCCSCCC(=O)N(C)C 62a_100000737620_100000730899 [0,2,0,0,0,0|2,0,0]=4 18148 B13R0.150 COCCCNCCCC(=O)N(C)C 2230a_200000744827_100000740836 [0,2,0,0,0,0|2,0,0]=4 18149 B13R0.150 COCCCSCCCC(=O)N(C)C 62a_100000709357_100000737642 [0,2,0,0,0,0|2,0,0]=4 18150 B13R0.150 COCCCSCCCC(=O)N(C)C 62a_100000737642_100000709357 [0,2,0,0,0,0|2,0,0]=4 18151 B13R0.150 COCCOCCCCC(=O)N(C)C 34a_100000210237_100000752486 [0,2,0,0,0,0|2,0,0]=4 18152 B13R0.150 COCCSCCCCC(=O)N(C)C 62a_100000233755_100000752486 [0,2,0,0,0,0|2,0,0]=4 18153 B13R0.150 COCCSCCCCC(=O)N(C)C 62a_100000752486_100000233755 [0,2,0,0,0,0|2,0,0]=4 18154 B13R0.150 CSCCCCOCCC(=O)N(C)C 7a_100011217163_100000737620 [0,2,0,0,0,0|2,0,0]=4 18155 B13R0.150 CSCCCNCCCC(=O)N(C)C 2230a_100000749238_100000737642 [0,2,0,0,0,0|2,0,0]=4 18156 B13R0.150 CSCCCOCCCC(=O)N(C)C 7a_100000690336_100000737642 [0,2,0,0,0,0|2,0,0]=4 18157 B13R0.150 CSCCOCCCCC(=O)N(C)C 34a_100000230434_100000752486 [0,2,0,0,0,0|2,0,0]=4 18158 B13R0.150 CSCCOCCCCC(=O)N(C)C 7a_100000230434_100000752486 [0,2,0,0,0,0|2,0,0]=4 18159 B13R0.150 CSCCSCCCCC(=O)N(C)C 62a_100000212216_100000752486 [0,2,0,0,0,0|2,0,0]=4 18160 B13R0.150 CSCCSCCCCC(=O)N(C)C 62a_100000752486_100000751147 [0,2,0,0,0,0|2,0,0]=4 18161 B13R0.150 C[C@@H](O)C(=O)CCCCCCCCO 1458a_100000717761_100000033203 [0,2,0,0,0,0|1,0,0]=3 18162 B13R0.150 C[C@@H](O)C(=O)NCCCCCCCO 240690a_100011996573_100000717761 [0,2,0,0,0,0|2,0,0]=4 18163 B13R0.150 C[C@H](O)C(=O)CCCCCCCCO 1458a_217856618621_100000033203 [0,2,0,0,0,0|1,0,0]=3 18164 B13R0.150 C[C@H](O)C(=O)NCCCCCCCO 240690a_100011996573_217856618621 [0,2,0,0,0,0|2,0,0]=4 18165 B13R0.150 O=C(CCCCCCCCO)C(O)O 1458a_100000233687_100000033203 [0,2,0,0,0,0|2,0,0]=4 18166 B13R0.202 C=C(Br)CCOCCCCC(=O)OC 34a_100009813270_100000204269 [0,2,0,0,0,0|0,0,2]=4 18167 B13R0.202 C=C(C)CCOCCCCC(=O)OC 34a_100000059025_100000730704 [0,2,0,0,0,0|0,0,1]=3 18168 B13R0.202 C=C(C)CCOCCCCC(=O)OC 34a_100000764851_100000204269 [0,2,0,0,0,0|0,0,1]=3 18169 B13R0.202 C=C(C)CCOCCCCC(=O)OC 7a_100000059025_100000730704 [0,2,0,0,0,0|0,0,1]=3 18170 B13R0.202 C=C(C)CCOCCOCC(=O)OC 34a_100000764851_100000090808 [0,2,0,0,0,0|1,0,1]=4 18171 B13R0.202 C=C(C)CCSCCCCC(=O)OC 62a_100000204269_100000730704 [0,2,0,0,0,0|0,0,1]=3 18172 B13R0.202 C=C(C)CCSCCCCC(=O)OC 62a_100000730704_100000204269 [0,2,0,0,0,0|0,0,1]=3 18173 B13R0.202 C=C(C)CCSCCOCC(=O)OC 62a_100000090808_100000730704 [0,2,0,0,0,0|1,0,1]=4 18174 B13R0.202 C=C(C)CCSCCOCC(=O)OC 62a_100000730704_100000090808 [0,2,0,0,0,0|1,0,1]=4 18175 B13R0.202 C=C(C)COCCCCCC(=O)OC 34a_100000074720_100000748629 [0,2,0,0,0,0|0,0,1]=3 18176 B13R0.202 C=C(C)COCCCCCC(=O)OC 34a_100000210245_100009816466 [0,2,0,0,0,0|0,0,1]=3 18177 B13R0.202 C=C(C)COCCCCCC(=O)OC 7a_100000074720_100000748629 [0,2,0,0,0,0|0,0,1]=3 18178 B13R0.202 C=C(C)CSCCCCCC(=O)OC 62a_100000748629_100009816466 [0,2,0,0,0,0|0,0,1]=3 18179 B13R0.202 C=C(C)CSCCCCCC(=O)OC 62a_100009816466_100000211660 [0,2,0,0,0,0|0,0,1]=3 18180 B13R0.202 C=C(F)COCCCCCC(=O)OC 34a_100000074720_100009893438 [0,2,0,0,0,0|0,0,2]=4 18181 B13R0.202 C=C(F)COCCCCCC(=O)OC 34a_200010262243_100009816466 [0,2,0,0,0,0|0,0,2]=4 18182 B13R0.202 C=C(F)COCCCCCC(=O)OC 7a_100000074720_100000042424 [0,2,0,0,0,0|0,0,2]=4 18183 B13R0.202 C=C(F)CSCCCCCC(=O)OC 62a_100000042424_100009816466 [0,2,0,0,0,0|0,0,2]=4 18184 B13R0.202 C=C(F)CSCCCCCC(=O)OC 62a_100009816466_100000042424 [0,2,0,0,0,0|0,0,2]=4 18185 B13R0.202 C=CC(=O)NCCCCCCC(C)C 1626a_100000211014_100000185746 [0,2,0,0,0,0|1,0,1]=4 18186 B13R0.202 C=CC(=O)NCCCCCCC(C)C 240690a_100000211014_200121576911 [0,2,0,0,0,0|1,0,1]=4 18187 B13R0.202 CC(C)CCCCCCNC(=O)CO 240690a_100000211014_100000210174 [0,2,0,0,0,0|2,0,0]=4 18188 B13R0.202 CC(C)CCCCCCNC(=O)CO 527a_100000211014_100000210174 [0,2,0,0,0,0|2,0,0]=4 18189 B13R0.202 CC(C)CCCOCCCC(=O)NN 34a_100000211488_100011214892 [0,2,0,0,0,0|2,0,0]=4 18190 B13R0.202 CC(O)CCCOCCCC(=O)NN 34a_100000211488_200000718107 [0,2,0,0,0,0|2,0,0]=4 18191 B13R0.202 CCC(=O)COCCCCCC(C)C 34a_100000725409_100000210682 [0,2,0,0,0,0|1,0,0]=3 18192 B13R0.202 CCC(=O)COCCCCCC(C)C 7a_100011995859_100000747405 [0,2,0,0,0,0|1,0,0]=3 18193 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000210682_100000747405 [0,2,0,0,0,0|1,0,0]=3 18194 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000747405_100000210682 [0,2,0,0,0,0|1,0,0]=3 18195 B13R0.202 CCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210414 [0,2,0,0,0,0|1,0,0]=3 18196 B13R0.202 CCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210414 [0,2,0,0,0,0|1,0,0]=3 18197 B13R0.202 CCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210414 [0,2,0,0,0,0|1,0,0]=3 18198 B13R0.202 CCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210414 [0,2,0,0,0,0|1,0,0]=3 18199 B13R0.202 CCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000210414 [0,2,0,0,0,0|2,0,0]=4 18200 B13R0.202 CCC(=O)NCCNCCCC(C)C 34a_100132302217_100011214892 [0,2,0,0,0,0|2,0,0]=4 18201 B13R0.202 CCC(=O)NCCNCCCC(C)O 34a_100132302217_200000718107 [0,2,0,0,0,0|2,0,0]=4 18202 B13R0.202 CCC(=O)NCCOCCCC(C)C 34a_200000158885_100011214892 [0,2,0,0,0,0|2,0,0]=4 18203 B13R0.202 CCC(=O)NCCOCCCC(C)C 7a_200000158885_100011214892 [0,2,0,0,0,0|2,0,0]=4 18204 B13R0.202 CCC(=O)NCCOCCCC(C)O 34a_200000158885_200000718107 [0,2,0,0,0,0|2,0,0]=4 18205 B13R0.202 CCC(=O)NCCOCCCC(C)O 7a_200000158885_200000718107 [0,2,0,0,0,0|2,0,0]=4 18206 B13R0.202 CCC(=O)OCCOCCCC(C)C 7a_200000031056_100011214892 [0,2,0,0,0,0|2,0,0]=4 18207 B13R0.202 CCC(=O)OCCOCCCC(C)O 7a_200000031056_200000718107 [0,2,0,0,0,0|2,0,0]=4 18208 B13R0.202 CNC(=O)CCCNCCCC(=O)C 34a_100000740002_100000685027 [0,2,0,0,0,0|1,0,1]=4 18209 B13R0.202 CNC(=O)CCCNCCCC(C)C 2230a_100000740002_100011214892 [0,2,0,0,0,0|1,0,0]=3 18210 B13R0.202 CNC(=O)CCCNCCCC(C)C 2230a_200000737386_100000741757 [0,2,0,0,0,0|1,0,0]=3 18211 B13R0.202 CNC(=O)CCCNCCCC(C)C 34a_100000740002_100011214892 [0,2,0,0,0,0|1,0,0]=3 18212 B13R0.202 CNC(=O)CCCNCCCC(C)C 34a_200000737386_100000741757 [0,2,0,0,0,0|1,0,0]=3 18213 B13R0.202 CNC(=O)CCCNCCCC(C)O 2230a_100000740002_200000718107 [0,2,0,0,0,0|1,0,0]=3 18214 B13R0.202 CNC(=O)CCCNCCCC(C)O 34a_100000740002_200000718107 [0,2,0,0,0,0|1,0,0]=3 18215 B13R0.202 CNC(=O)CCCNCCCS(=O)C 2230a_200000753449_100000741757 [0,2,0,0,0,0|2,0,0]=4 18216 B13R0.202 CNC(=O)CCCNCCOC(C)C 2230a_100000701111_100000741757 [0,2,0,0,0,0|2,0,0]=4 18217 B13R0.202 CNC(=O)CCCNCCOC(C)C 2230a_100000740002_100000211751 [0,2,0,0,0,0|2,0,0]=4 18218 B13R0.202 CNC(=O)CCCNCCOC(C)C 34a_100000701111_100000741757 [0,2,0,0,0,0|2,0,0]=4 18219 B13R0.202 CNC(=O)CCCNCCOC(C)C 34a_100000740002_100000211751 [0,2,0,0,0,0|2,0,0]=4 18220 B13R0.202 CNC(=O)CCCNCCSC(C)C 2230a_100000731138_100000741757 [0,2,0,0,0,0|2,0,0]=4 18221 B13R0.202 CNC(=O)CCCNCCSC(C)C 2230a_100000740002_100000730970 [0,2,0,0,0,0|2,0,0]=4 18222 B13R0.202 CNC(=O)CCCNCCSC(C)C 34a_100000731138_100000741757 [0,2,0,0,0,0|2,0,0]=4 18223 B13R0.202 CNC(=O)CCCNCCSC(C)C 34a_100000740002_100000730970 [0,2,0,0,0,0|2,0,0]=4 18224 B13R0.202 CNC(=O)CCCOCCCC(=O)C 34a_100000759063_100000741757 [0,2,0,0,0,0|1,0,1]=4 18225 B13R0.202 CNC(=O)CCCOCCCC(=O)C 7a_100000759063_100000741757 [0,2,0,0,0,0|1,0,1]=4 18226 B13R0.202 CNC(=O)CCCOCCCC(C)C 34a_100000210774_100000741757 [0,2,0,0,0,0|1,0,0]=3 18227 B13R0.202 CNC(=O)CCCOCCCC(C)C 7a_100000210774_100000741757 [0,2,0,0,0,0|1,0,0]=3 18228 B13R0.202 CNC(=O)CCCOCCNC(C)C 34a_100000224655_100000741757 [0,2,0,0,0,0|2,0,0]=4 18229 B13R0.202 CNC(=O)CCCOCCOC(C)C 34a_100000211219_100000741757 [0,2,0,0,0,0|2,0,0]=4 18230 B13R0.202 CNC(=O)CCCOCCOC(C)C 7a_100000211219_100000741757 [0,2,0,0,0,0|2,0,0]=4 18231 B13R0.202 CNC(=O)CCCOCCSC(C)C 34a_200011212901_100000741757 [0,2,0,0,0,0|2,0,0]=4 18232 B13R0.202 CNC(=O)CCCOCCSC(C)C 7a_200011212901_100000741757 [0,2,0,0,0,0|2,0,0]=4 18233 B13R0.202 CNC(=O)CCCSCCCC(=O)C 62a_100000741757_100011215641 [0,2,0,0,0,0|1,0,1]=4 18234 B13R0.202 CNC(=O)CCCSCCCC(=O)C 62a_100011215641_100000741757 [0,2,0,0,0,0|1,0,1]=4 18235 B13R0.202 CNC(=O)CCCSCCCC(C)C 62a_100000741757_100011214892 [0,2,0,0,0,0|1,0,0]=3 18236 B13R0.202 CNC(=O)CCCSCCCC(C)C 62a_100011214892_100000741757 [0,2,0,0,0,0|1,0,0]=3 18237 B13R0.202 CNC(=O)CCCSCCCC(C)O 62a_100000741757_200000718107 [0,2,0,0,0,0|1,0,0]=3 18238 B13R0.202 CNC(=O)CCCSCCCC(C)O 62a_200000718107_100000741757 [0,2,0,0,0,0|1,0,0]=3 18239 B13R0.202 CNC(=O)CCCSCCCN(C)C 62a_100000741757_100000757444 [0,2,0,0,0,0|2,0,0]=4 18240 B13R0.202 CNC(=O)CCCSCCOC(C)C 62a_100000211751_100000741757 [0,2,0,0,0,0|2,0,0]=4 18241 B13R0.202 CNC(=O)CCCSCCOC(C)C 62a_100000741757_100000211751 [0,2,0,0,0,0|2,0,0]=4 18242 B13R0.202 CNC(=O)CCCSCCSC(C)C 62a_100000730970_100000741757 [0,2,0,0,0,0|2,0,0]=4 18243 B13R0.202 CNC(=O)CCCSCCSC(C)C 62a_100000741757_100000730970 [0,2,0,0,0,0|2,0,0]=4 18244 B13R0.202 CNC(=O)CCNCCCCC(=O)C 34a_100000738227_100009817362 [0,2,0,0,0,0|1,0,1]=4 18245 B13R0.202 CNC(=O)CCNCCCCC(C)C 2230a_100000738227_100011216152 [0,2,0,0,0,0|1,0,0]=3 18246 B13R0.202 CNC(=O)CCNCCCCC(C)C 34a_100000738227_100011216152 [0,2,0,0,0,0|1,0,0]=3 18247 B13R0.202 CNC(=O)CCNCCCOC(C)C 2230a_100000737246_100000737683 [0,2,0,0,0,0|2,0,0]=4 18248 B13R0.202 CNC(=O)CCNCCCOC(C)C 34a_100000737246_100012179268 [0,2,0,0,0,0|2,0,0]=4 18249 B13R0.202 CNC(=O)CCOCCCCC(=O)C 34a_100000754576_100009817362 [0,2,0,0,0,0|1,0,1]=4 18250 B13R0.202 CNC(=O)CCOCCCCC(C)C 34a_100000754576_100011216152 [0,2,0,0,0,0|1,0,0]=3 18251 B13R0.202 CNC(=O)CCOCCCCC(C)C 34a_100011214890_100012179268 [0,2,0,0,0,0|1,0,0]=3 18252 B13R0.202 CNC(=O)CCOCCCCC(C)C 7a_100011214890_100000737683 [0,2,0,0,0,0|1,0,0]=3 18253 B13R0.202 CNC(=O)CCOCCCNC(C)C 34a_100000182298_100012179268 [0,2,0,0,0,0|2,0,0]=4 18254 B13R0.202 CNC(=O)CCOCCNCC(C)C 34a_100015185251_100012179268 [0,2,0,0,0,0|2,0,0]=4 18255 B13R0.202 CNC(=O)CCOCCOCC(C)C 34a_100000703358_100012179268 [0,2,0,0,0,0|2,0,0]=4 18256 B13R0.202 CNC(=O)CCOCCOCC(C)C 7a_100000703358_100000737683 [0,2,0,0,0,0|2,0,0]=4 18257 B13R0.202 CNC(=O)CCOCCSCC(C)C 34a_200000230437_100012179268 [0,2,0,0,0,0|2,0,0]=4 18258 B13R0.202 CNC(=O)CCOCCSCC(C)C 7a_200000230437_100000737683 [0,2,0,0,0,0|2,0,0]=4 18259 B13R0.202 CNC(=O)CCSCCCCC(=O)C 62a_100000735457_100000737683 [0,2,0,0,0,0|1,0,1]=4 18260 B13R0.202 CNC(=O)CCSCCCCC(=O)C 62a_100000737683_100000735457 [0,2,0,0,0,0|1,0,1]=4 18261 B13R0.202 CNC(=O)CCSCCCCC(C)C 62a_100000737683_100011216152 [0,2,0,0,0,0|1,0,0]=3 18262 B13R0.202 CNC(=O)CCSCCCCC(C)C 62a_100011216152_100000737683 [0,2,0,0,0,0|1,0,0]=3 18263 B13R0.202 CNC(=O)CCSCCCCN(C)C 62a_100000737683_100000690147 [0,2,0,0,0,0|2,0,0]=4 18264 B13R0.202 CNC(=O)CNCCCCCC(C)C 2230a_100000693194_100000210682 [0,2,0,0,0,0|1,0,0]=3 18265 B13R0.202 CNC(=O)CNCCCCCC(C)C 2230a_100011290863_100000183359 [0,2,0,0,0,0|1,0,0]=3 18266 B13R0.202 CNC(=O)CNCCCCCC(C)C 34a_100011290863_100000183359 [0,2,0,0,0,0|1,0,0]=3 18267 B13R0.202 CNC(=O)CNCCCOCC(C)C 2230a_100000205972_100000183359 [0,2,0,0,0,0|2,0,0]=4 18268 B13R0.202 CNC(=O)CNCCCOCC(C)C 34a_100000205972_100000183359 [0,2,0,0,0,0|2,0,0]=4 18269 B13R0.202 CNC(=O)COCCCCCC(C)C 34a_100000750040_100000210682 [0,2,0,0,0,0|1,0,0]=3 18270 B13R0.202 CNC(=O)COCCCCCC(C)C 34a_100011995859_100000183359 [0,2,0,0,0,0|1,0,0]=3 18271 B13R0.202 CNC(=O)COCCCCCC(C)C 7a_100011995859_100000183359 [0,2,0,0,0,0|1,0,0]=3 18272 B13R0.202 CNC(=O)COCCCCNC(C)C 34a_100011521146_100000183359 [0,2,0,0,0,0|2,0,0]=4 18273 B13R0.202 CNC(=O)CSCCCCCC(C)C 62a_100000183359_100000210682 [0,2,0,0,0,0|1,0,0]=3 18274 B13R0.202 CNC(=O)CSCCCCCC(C)C 62a_100000210682_100000183359 [0,2,0,0,0,0|1,0,0]=3 18275 B13R0.202 CNC(=O)NCCCCCCC(C)C 2708a_100000211014_106832991635 [0,2,0,0,0,0|1,0,0]=3 18276 B13R0.202 CNC(=O)NCCCCCCC(C)C 2708a_100102657272_100000211014 [0,2,0,0,0,0|1,0,0]=3 18277 B13R0.202 CNC(=O)NCCCCCCC(C)C 273464a_100000211014_100102657272 [0,2,0,0,0,0|1,0,0]=3 18278 B13R0.202 CNC(=O)NCCCCCCC(C)C 273464a_100102657272_100000211014 [0,2,0,0,0,0|1,0,0]=3 18279 B13R0.202 CNC(=O)NCCCCCCC(C)C 512a_100000211014_100102657272 [0,2,0,0,0,0|1,0,0]=3 18280 B13R0.202 CNC(=O)NCCCCCCC(C)C 512a_106832991638_100000211014 [0,2,0,0,0,0|1,0,0]=3 18281 B13R0.202 CNC(=O)NCCCCCCN(C)C 2708a_100102657272_200011233508 [0,2,0,0,0,0|2,0,0]=4 18282 B13R0.202 CNC(=O)NCCCCCCN(C)C 2708a_200011233508_106832991635 [0,2,0,0,0,0|2,0,0]=4 18283 B13R0.202 CNC(=O)NCCCCCCN(C)C 273464a_100102657272_200011233508 [0,2,0,0,0,0|2,0,0]=4 18284 B13R0.202 CNC(=O)NCCCCCCN(C)C 273464a_200011233508_100102657272 [0,2,0,0,0,0|2,0,0]=4 18285 B13R0.202 CNC(=O)NCCCCCCN(C)C 512a_106832991638_200011233508 [0,2,0,0,0,0|2,0,0]=4 18286 B13R0.202 CNC(=O)NCCCCCCN(C)C 512a_200011233508_100102657272 [0,2,0,0,0,0|2,0,0]=4 18287 B13R0.202 CNC(=O)NCCNCCCC(C)C 34a_100015205895_100011214892 [0,2,0,0,0,0|2,0,0]=4 18288 B13R0.202 CNC(=O)NCCNCCCC(C)O 34a_100015205895_200000718107 [0,2,0,0,0,0|2,0,0]=4 18289 B13R0.202 CNC(=O)OCCNCCCC(C)C 34a_200000737386_200011997002 [0,2,0,0,0,0|2,0,0]=4 18290 B13R0.202 CNC(=O)OCCOCCCC(C)C 34a_100000210774_200011997002 [0,2,0,0,0,0|2,0,0]=4 18291 B13R0.202 CNC(=O)OCCOCCCC(C)C 7a_100000210774_200011997002 [0,2,0,0,0,0|2,0,0]=4 18292 B13R0.202 CNC(=O)OCCSCCCC(C)C 62a_100011214892_200011997002 [0,2,0,0,0,0|2,0,0]=4 18293 B13R0.202 CNC(=O)OCCSCCCC(C)C 62a_200011997002_100011214892 [0,2,0,0,0,0|2,0,0]=4 18294 B13R0.202 CNC(=O)OCCSCCCC(C)O 62a_200000718107_200011997002 [0,2,0,0,0,0|2,0,0]=4 18295 B13R0.202 CNC(=O)OCCSCCCC(C)O 62a_200011997002_200000718107 [0,2,0,0,0,0|2,0,0]=4 18296 B13R0.202 COC(=O)/C=C/CNCCCC(C)C 2230a_200000737386_100000742655 [0,2,0,0,0,0|0,0,2]=4 18297 B13R0.202 COC(=O)/C=C/CNCCCC(C)C 34a_200000737386_100000742655 [0,2,0,0,0,0|0,0,2]=4 18298 B13R0.202 COC(=O)/C=C/COCCCC(C)C 34a_100000210774_100000742655 [0,2,0,0,0,0|0,0,2]=4 18299 B13R0.202 COC(=O)/C=C/COCCCC(C)C 7a_100000210774_100000742655 [0,2,0,0,0,0|0,0,2]=4 18300 B13R0.202 COC(=O)/C=C/CSCCCC(C)C 62a_100000742655_100011214892 [0,2,0,0,0,0|0,0,2]=4 18301 B13R0.202 COC(=O)/C=C/CSCCCC(C)C 62a_100011214892_100000742655 [0,2,0,0,0,0|0,0,2]=4 18302 B13R0.202 COC(=O)/C=C/CSCCCC(C)O 62a_100000742655_200000718107 [0,2,0,0,0,0|0,0,2]=4 18303 B13R0.202 COC(=O)/C=C/CSCCCC(C)O 62a_200000718107_100000742655 [0,2,0,0,0,0|0,0,2]=4 18304 B13R0.202 COC(=O)CCCC=NNCC(C)O 4a_200000730056_100000094087 [0,2,0,0,0,0|1,0,1]=4 18305 B13R0.202 COC(=O)CCCCC=NNC(C)C 4a_100000741168_100000052768 [0,2,0,0,0,0|1,0,1]=4 18306 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000033222_200000210301 [0,2,0,0,0,0|0,0,0]=2 18307 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000070787_100010004213 [0,2,0,0,0,0|0,0,0]=2 18308 B13R0.202 COC(=O)CCCCCCCC(=O)[13CH3] 1458a_100000033222_200025704644 [0,2,0,0,0,0|0,0,0]=2 18309 B13R0.202 COC(=O)CCCCCCCN(C)C 2230a_100102631434_100010004213 [0,2,0,0,0,0|0,0,0]=2 18310 B13R0.202 COC(=O)CCCCCCCN(C)C 269982a_100102631434_100010004213 [0,2,0,0,0,0|0,0,0]=2 18311 B13R0.202 COC(=O)CCCCCCNC(=O)C 188690a_100000739044_100015343762 [0,2,0,0,0,0|0,0,1]=3 18312 B13R0.202 COC(=O)CCCCCCNC(C)C 2230a_100138425928_100009815986 [0,2,0,0,0,0|0,0,0]=2 18313 B13R0.202 COC(=O)CCCCCCNC(C)C 34a_100138425928_100009815986 [0,2,0,0,0,0|0,0,0]=2 18314 B13R0.202 COC(=O)CCCCCCOC(C)C 34a_100000212225_100009815986 [0,2,0,0,0,0|0,0,0]=2 18315 B13R0.202 COC(=O)CCCCCCOC(C)C 34a_100009863599_100000210206 [0,2,0,0,0,0|0,0,0]=2 18316 B13R0.202 COC(=O)CCCCCCOC(C)C 7a_100009863599_100000210206 [0,2,0,0,0,0|0,0,0]=2 18317 B13R0.202 COC(=O)CCCCCCSC(C)C 62a_100000210206_100009815986 [0,2,0,0,0,0|0,0,0]=2 18318 B13R0.202 COC(=O)CCCCCCSC(C)C 62a_100009815986_100000210206 [0,2,0,0,0,0|0,0,0]=2 18319 B13R0.202 COC(=O)CCCCCNCC(=O)N 2230a_100000711301_100009816466 [0,2,0,0,0,0|1,0,1]=4 18320 B13R0.202 COC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009816466 [0,2,0,0,0,0|1,0,1]=4 18321 B13R0.202 COC(=O)CCCCCNCC(C)C 2230a_100000210953_100009816466 [0,2,0,0,0,0|0,0,0]=2 18322 B13R0.202 COC(=O)CCCCCNCC(C)C 34a_100000210953_100009816466 [0,2,0,0,0,0|0,0,0]=2 18323 B13R0.202 COC(=O)CCCCCNCC(C)O 2230a_100000210904_100009816466 [0,2,0,0,0,0|0,0,0]=2 18324 B13R0.202 COC(=O)CCCCCNCC(C)O 34a_100000210904_100009816466 [0,2,0,0,0,0|0,0,0]=2 18325 B13R0.202 COC(=O)CCCCCNCC(F)F 34a_100000765723_100009816466 [0,2,0,0,0,0|1,0,0]=3 18326 B13R0.202 COC(=O)CCCCCOCC(=O)C 34a_100000211253_100009816466 [0,2,0,0,0,0|0,0,1]=3 18327 B13R0.202 COC(=O)CCCCCOCC(=O)N 34a_100000074720_100000187820 [0,2,0,0,0,0|1,0,1]=4 18328 B13R0.202 COC(=O)CCCCCOCC(=O)N 7a_100000074720_100000187820 [0,2,0,0,0,0|1,0,1]=4 18329 B13R0.202 COC(=O)CCCCCOCC(=O)[O-] 34a_100000074720_100020667443 [0,2,0,0,0,0|1,0,1]=4 18330 B13R0.202 COC(=O)CCCCCOCC(C)Br 34a_100012180447_100009816466 [0,2,0,0,0,0|0,0,0]=2 18331 B13R0.202 COC(=O)CCCCCOCC(C)C 34a_100000074720_100000210624 [0,2,0,0,0,0|0,0,0]=2 18332 B13R0.202 COC(=O)CCCCCOCC(C)C 34a_100000210257_100009816466 [0,2,0,0,0,0|0,0,0]=2 18333 B13R0.202 COC(=O)CCCCCOCC(C)C 7a_100000074720_100000210760 [0,2,0,0,0,0|0,0,0]=2 18334 B13R0.202 COC(=O)CCCCCOCC(C)F 34a_100015925927_100009816466 [0,2,0,0,0,0|0,0,0]=2 18335 B13R0.202 COC(=O)CCCCCOCC(C)O 34a_100000074720_100011218427 [0,2,0,0,0,0|0,0,0]=2 18336 B13R0.202 COC(=O)CCCCCOCC(C)O 7a_100000074720_100011218427 [0,2,0,0,0,0|0,0,0]=2 18337 B13R0.202 COC(=O)CCCCCOCC(F)F 34a_100000074720_100011934356 [0,2,0,0,0,0|1,0,0]=3 18338 B13R0.202 COC(=O)CCCCCOCC(F)F 34a_100000743014_100009816466 [0,2,0,0,0,0|1,0,0]=3 18339 B13R0.202 COC(=O)CCCCCOCC(F)F 7a_100000074720_100011934356 [0,2,0,0,0,0|1,0,0]=3 18340 B13R0.202 COC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_100009816466 [0,2,0,0,0,0|0,0,0]=2 18341 B13R0.202 COC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_100009816466 [0,2,0,0,0,0|0,0,0]=2 18342 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 34a_100000074720_100009817552 [0,2,0,0,0,0|0,0,0]=2 18343 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 7a_100000074720_100009817552 [0,2,0,0,0,0|0,0,0]=2 18344 B13R0.202 COC(=O)CCCCCOC[N+](=O)[O-] 34a_100000074720_100000761209 [0,2,0,0,0,0|2,0,0]=4 18345 B13R0.202 COC(=O)CCCCCSCC(=O)N 62a_100000747473_100009816466 [0,2,0,0,0,0|1,0,1]=4 18346 B13R0.202 COC(=O)CCCCCSCC(=O)N 62a_100009816466_100000747473 [0,2,0,0,0,0|1,0,1]=4 18347 B13R0.202 COC(=O)CCCCCSCC(=O)[O-] 62a_100009816466_100020667443 [0,2,0,0,0,0|1,0,1]=4 18348 B13R0.202 COC(=O)CCCCCSCC(=O)[O-] 62a_100020667443_100009816466 [0,2,0,0,0,0|1,0,1]=4 18349 B13R0.202 COC(=O)CCCCCSCC(C)C 62a_100000210624_100009816466 [0,2,0,0,0,0|0,0,0]=2 18350 B13R0.202 COC(=O)CCCCCSCC(C)C 62a_100009816466_100000210760 [0,2,0,0,0,0|0,0,0]=2 18351 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100009816466_100011218427 [0,2,0,0,0,0|0,0,0]=2 18352 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100011218427_100009816466 [0,2,0,0,0,0|0,0,0]=2 18353 B13R0.202 COC(=O)CCCCCSCC(F)F 62a_100009816466_100011934356 [0,2,0,0,0,0|1,0,0]=3 18354 B13R0.202 COC(=O)CCCCCSCC(F)F 62a_100011934356_100009816466 [0,2,0,0,0,0|1,0,0]=3 18355 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009816466_100009817552 [0,2,0,0,0,0|0,0,0]=2 18356 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100009816466 [0,2,0,0,0,0|0,0,0]=2 18357 B13R0.202 COC(=O)CCCCCSC[N+](=O)[O-] 62a_100009816466_100000761209 [0,2,0,0,0,0|2,0,0]=4 18358 B13R0.202 COC(=O)CCCCNCC=C(C)C 34a_100000718196_100000204269 [0,2,0,0,0,0|0,0,2]=4 18359 B13R0.202 COC(=O)CCCCNCCC(C)O 2230a_200000755665_100000204269 [0,2,0,0,0,0|0,0,0]=2 18360 B13R0.202 COC(=O)CCCCOCC=C(C)C 34a_100000059025_100000761012 [0,2,0,0,0,0|0,0,2]=4 18361 B13R0.202 COC(=O)CCCCOCC=C(C)C 34a_100000753907_100000204269 [0,2,0,0,0,0|0,0,2]=4 18362 B13R0.202 COC(=O)CCCCOCC=C(C)C 7a_100000059025_100000761012 [0,2,0,0,0,0|0,0,2]=4 18363 B13R0.202 COC(=O)CCCCOCCC(=O)C 34a_100000759926_100000204269 [0,2,0,0,0,0|0,0,1]=3 18364 B13R0.202 COC(=O)CCCCOCCC(=O)C 7a_100000059025_100000053229 [0,2,0,0,0,0|0,0,1]=3 18365 B13R0.202 COC(=O)CCCCOCCC(=O)C 7a_100000759926_100000204269 [0,2,0,0,0,0|0,0,1]=3 18366 B13R0.202 COC(=O)CCCCOCCC(=O)N 34a_100000059025_100000731001 [0,2,0,0,0,0|1,0,1]=4 18367 B13R0.202 COC(=O)CCCCOCCC(=O)N 34a_100000757172_100000204269 [0,2,0,0,0,0|1,0,1]=4 18368 B13R0.202 COC(=O)CCCCOCCC(=O)N 7a_100000059025_100000744528 [0,2,0,0,0,0|1,0,1]=4 18369 B13R0.202 COC(=O)CCCCOCCC(=O)N 7a_100000757172_100000204269 [0,2,0,0,0,0|1,0,1]=4 18370 B13R0.202 COC(=O)CCCCOCCC(C)Br 34a_100009893172_100000204269 [0,2,0,0,0,0|0,0,0]=2 18371 B13R0.202 COC(=O)CCCCOCCC(C)C 34a_100000059025_100000210312 [0,2,0,0,0,0|0,0,0]=2 18372 B13R0.202 COC(=O)CCCCOCCC(C)C 34a_100000210254_100000204269 [0,2,0,0,0,0|0,0,0]=2 18373 B13R0.202 COC(=O)CCCCOCCC(C)C 7a_100000059025_100000210626 [0,2,0,0,0,0|0,0,0]=2 18374 B13R0.202 COC(=O)CCCCOCCC(C)C 7a_100000210254_100000204269 [0,2,0,0,0,0|0,0,0]=2 18375 B13R0.202 COC(=O)CCCCOCCC(C)O 34a_100000059025_100012276601 [0,2,0,0,0,0|0,0,0]=2 18376 B13R0.202 COC(=O)CCCCOCCC(C)O 7a_100000059025_100012276601 [0,2,0,0,0,0|0,0,0]=2 18377 B13R0.202 COC(=O)CCCCOCCC(F)F 34a_100103093639_100000204269 [0,2,0,0,0,0|1,0,0]=3 18378 B13R0.202 COC(=O)CCCCOCCN(C)C 7a_100000059025_100000755713 [0,2,0,0,0,0|1,0,0]=3 18379 B13R0.202 COC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100000204269 [0,2,0,0,0,0|0,0,0]=2 18380 B13R0.202 COC(=O)CCCCOCOC(=O)C 34a_100000059025_100009813279 [0,2,0,0,0,0|1,0,1]=4 18381 B13R0.202 COC(=O)CCCCOCOC(C)C 34a_100000059025_100000709892 [0,2,0,0,0,0|1,0,0]=3 18382 B13R0.202 COC(=O)CCCCSCC=C(C)C 62a_100000204269_100000761012 [0,2,0,0,0,0|0,0,2]=4 18383 B13R0.202 COC(=O)CCCCSCC=C(C)C 62a_100000761012_100000204269 [0,2,0,0,0,0|0,0,2]=4 18384 B13R0.202 COC(=O)CCCCSCCC(=O)C 62a_100000053229_100000204269 [0,2,0,0,0,0|0,0,1]=3 18385 B13R0.202 COC(=O)CCCCSCCC(=O)C 62a_100000204269_100000053229 [0,2,0,0,0,0|0,0,1]=3 18386 B13R0.202 COC(=O)CCCCSCCC(=O)N 62a_100000204269_100000744528 [0,2,0,0,0,0|1,0,1]=4 18387 B13R0.202 COC(=O)CCCCSCCC(=O)N 62a_100000744528_100000204269 [0,2,0,0,0,0|1,0,1]=4 18388 B13R0.202 COC(=O)CCCCSCCC(C)C 62a_100000204269_100000210312 [0,2,0,0,0,0|0,0,0]=2 18389 B13R0.202 COC(=O)CCCCSCCC(C)C 62a_100000210312_100000204269 [0,2,0,0,0,0|0,0,0]=2 18390 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100000204269_100012276601 [0,2,0,0,0,0|0,0,0]=2 18391 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100012276601_100000204269 [0,2,0,0,0,0|0,0,0]=2 18392 B13R0.202 COC(=O)CCCCSCCN(C)C 62a_100000204269_100000755713 [0,2,0,0,0,0|1,0,0]=3 18393 B13R0.202 COC(=O)CCCCSCOC(=O)C 62a_100000076356_100000204269 [0,2,0,0,0,0|1,0,1]=4 18394 B13R0.202 COC(=O)CCCCSCOC(=O)C 62a_100000204269_100000076356 [0,2,0,0,0,0|1,0,1]=4 18395 B13R0.202 COC(=O)CCCCSCOC(C)C 62a_100000204269_100000709892 [0,2,0,0,0,0|1,0,0]=3 18396 B13R0.202 COC(=O)CCCCSCOC(C)C 62a_100000709892_100000204269 [0,2,0,0,0,0|1,0,0]=3 18397 B13R0.202 COC(=O)CCCNCCCC(=O)N 34a_100000739312_100000742333 [0,2,0,0,0,0|1,0,1]=4 18398 B13R0.202 COC(=O)CCCNCCCC(C)C 2230a_200000737386_100011218270 [0,2,0,0,0,0|0,0,0]=2 18399 B13R0.202 COC(=O)CCCNCCCC(C)C 34a_200000737386_100000742333 [0,2,0,0,0,0|0,0,0]=2 18400 B13R0.202 COC(=O)CCCNCCCS(=O)C 2230a_200000753449_100011218270 [0,2,0,0,0,0|1,0,0]=3 18401 B13R0.202 COC(=O)CCCNCCNC(=O)C 2230a_100000209853_100011218270 [0,2,0,0,0,0|1,0,1]=4 18402 B13R0.202 COC(=O)CCCNCCOC(C)C 2230a_100000701111_100011218270 [0,2,0,0,0,0|1,0,0]=3 18403 B13R0.202 COC(=O)CCCNCCOC(C)C 34a_100000701111_100000742333 [0,2,0,0,0,0|1,0,0]=3 18404 B13R0.202 COC(=O)CCCNCCSC(C)C 2230a_100000731138_100011218270 [0,2,0,0,0,0|1,0,0]=3 18405 B13R0.202 COC(=O)CCCNCCSC(C)C 34a_100000731138_100000742333 [0,2,0,0,0,0|1,0,0]=3 18406 B13R0.202 COC(=O)CCCOCCCC(=O)C 34a_100000759063_100000742333 [0,2,0,0,0,0|0,0,1]=3 18407 B13R0.202 COC(=O)CCCOCCCC(=O)C 7a_100000759063_100011218270 [0,2,0,0,0,0|0,0,1]=3 18408 B13R0.202 COC(=O)CCCOCCCC(C)C 34a_100000210774_100000742333 [0,2,0,0,0,0|0,0,0]=2 18409 B13R0.202 COC(=O)CCCOCCCC(C)C 7a_100000210774_100011218270 [0,2,0,0,0,0|0,0,0]=2 18410 B13R0.202 COC(=O)CCCOCCC[N+](=O)[O-] 34a_200000037920_100000742333 [0,2,0,0,0,0|2,0,0]=4 18411 B13R0.202 COC(=O)CCCOCCNC(=O)C 34a_100000158858_100000742333 [0,2,0,0,0,0|1,0,1]=4 18412 B13R0.202 COC(=O)CCCOCCNC(C)C 34a_100000224655_100000742333 [0,2,0,0,0,0|1,0,0]=3 18413 B13R0.202 COC(=O)CCCOCCOC(C)C 34a_100000211219_100000742333 [0,2,0,0,0,0|1,0,0]=3 18414 B13R0.202 COC(=O)CCCOCCOC(C)C 7a_100000211219_100011218270 [0,2,0,0,0,0|1,0,0]=3 18415 B13R0.202 COC(=O)CCCOCCSC(C)C 34a_200011212901_100000742333 [0,2,0,0,0,0|1,0,0]=3 18416 B13R0.202 COC(=O)CCCOCCSC(C)C 7a_200011212901_100011218270 [0,2,0,0,0,0|1,0,0]=3 18417 B13R0.202 COC(=O)CCCSCCC=C(C)C 62a_100011217483_100011218270 [0,2,0,0,0,0|0,0,2]=4 18418 B13R0.202 COC(=O)CCCSCCC=C(C)C 62a_100011218270_100011217483 [0,2,0,0,0,0|0,0,2]=4 18419 B13R0.202 COC(=O)CCCSCCCC(=O)C 62a_100011215641_100011218270 [0,2,0,0,0,0|0,0,1]=3 18420 B13R0.202 COC(=O)CCCSCCCC(=O)C 62a_100011218270_100011215641 [0,2,0,0,0,0|0,0,1]=3 18421 B13R0.202 COC(=O)CCCSCCCC(=O)N 62a_100011218270_100102525003 [0,2,0,0,0,0|1,0,1]=4 18422 B13R0.202 COC(=O)CCCSCCCC(=O)N 62a_100102525003_100011218270 [0,2,0,0,0,0|1,0,1]=4 18423 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011214892_100011218270 [0,2,0,0,0,0|0,0,0]=2 18424 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011218270_100011214892 [0,2,0,0,0,0|0,0,0]=2 18425 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_100011218270_200000718107 [0,2,0,0,0,0|0,0,0]=2 18426 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_200000718107_100011218270 [0,2,0,0,0,0|0,0,0]=2 18427 B13R0.202 COC(=O)CCCSCCCN(C)C 62a_100011218270_100000757444 [0,2,0,0,0,0|1,0,0]=3 18428 B13R0.202 COC(=O)CCCSCCNC(=O)C 62a_100000189650_100011218270 [0,2,0,0,0,0|1,0,1]=4 18429 B13R0.202 COC(=O)CCCSCCNC(=O)C 62a_100011218270_100000189650 [0,2,0,0,0,0|1,0,1]=4 18430 B13R0.202 COC(=O)CCCSCCOC(=O)C 62a_100009814007_100011218270 [0,2,0,0,0,0|1,0,1]=4 18431 B13R0.202 COC(=O)CCCSCCOC(=O)C 62a_100011218270_100009814007 [0,2,0,0,0,0|1,0,1]=4 18432 B13R0.202 COC(=O)CCCSCCOC(C)C 62a_100000211751_100011218270 [0,2,0,0,0,0|1,0,0]=3 18433 B13R0.202 COC(=O)CCCSCCOC(C)C 62a_100011218270_100000211751 [0,2,0,0,0,0|1,0,0]=3 18434 B13R0.202 COC(=O)CCCSCCSC(C)C 62a_100000730970_100011218270 [0,2,0,0,0,0|1,0,0]=3 18435 B13R0.202 COC(=O)CCCSCCSC(C)C 62a_100011218270_100000730970 [0,2,0,0,0,0|1,0,0]=3 18436 B13R0.202 COC(=O)CCNCCCCC(=O)N 34a_100000696515_100000742370 [0,2,0,0,0,0|1,0,1]=4 18437 B13R0.202 COC(=O)CCNCCCNC(=O)C 34a_100000736810_100000742370 [0,2,0,0,0,0|1,0,1]=4 18438 B13R0.202 COC(=O)CCNCCCOC(C)C 2230a_100000737246_100000204255 [0,2,0,0,0,0|1,0,0]=3 18439 B13R0.202 COC(=O)CCNCCCOC(C)C 34a_100000737246_100000742370 [0,2,0,0,0,0|1,0,0]=3 18440 B13R0.202 COC(=O)CCOCCCCC(=O)N 34a_100012022536_100000742370 [0,2,0,0,0,0|1,0,1]=4 18441 B13R0.202 COC(=O)CCOCCCCC(=O)N 7a_100012022536_100000204255 [0,2,0,0,0,0|1,0,1]=4 18442 B13R0.202 COC(=O)CCOCCCCC(C)C 34a_100011214890_100000742370 [0,2,0,0,0,0|0,0,0]=2 18443 B13R0.202 COC(=O)CCOCCCCC(C)C 7a_100011214890_100000204255 [0,2,0,0,0,0|0,0,0]=2 18444 B13R0.202 COC(=O)CCOCCCC[N+](=O)[O-] 34a_200015379883_100000742370 [0,2,0,0,0,0|2,0,0]=4 18445 B13R0.202 COC(=O)CCOCCCC[N+](=O)[O-] 7a_200015379883_100000204255 [0,2,0,0,0,0|2,0,0]=4 18446 B13R0.202 COC(=O)CCOCCCNC(=O)C 34a_100000752032_100000742370 [0,2,0,0,0,0|1,0,1]=4 18447 B13R0.202 COC(=O)CCOCCCNC(C)C 34a_100000182298_100000742370 [0,2,0,0,0,0|1,0,0]=3 18448 B13R0.202 COC(=O)CCOCCNCC(C)C 34a_100015185251_100000742370 [0,2,0,0,0,0|1,0,0]=3 18449 B13R0.202 COC(=O)CCOCCOCC(C)C 34a_100000703358_100000742370 [0,2,0,0,0,0|1,0,0]=3 18450 B13R0.202 COC(=O)CCOCCOCC(C)C 7a_100000703358_100000204255 [0,2,0,0,0,0|1,0,0]=3 18451 B13R0.202 COC(=O)CCOCCOCC(F)F 34a_100000704375_100000742370 [0,2,0,0,0,0|2,0,0]=4 18452 B13R0.202 COC(=O)CCOCCOCC(F)F 7a_100000704375_100000204255 [0,2,0,0,0,0|2,0,0]=4 18453 B13R0.202 COC(=O)CCOCCSCC(C)C 34a_200000230437_100000742370 [0,2,0,0,0,0|1,0,0]=3 18454 B13R0.202 COC(=O)CCOCCSCC(C)C 7a_200000230437_100000204255 [0,2,0,0,0,0|1,0,0]=3 18455 B13R0.202 COC(=O)CCSCCCCB(O)O 62a_100000204255_200009817182 [0,2,0,0,0,0|2,0,0]=4 18456 B13R0.202 COC(=O)CCSCCCCB(O)O 62a_200009817182_100000204255 [0,2,0,0,0,0|2,0,0]=4 18457 B13R0.202 COC(=O)CCSCCCCC(=O)C 62a_100000204255_100000735457 [0,2,0,0,0,0|0,0,1]=3 18458 B13R0.202 COC(=O)CCSCCCCC(=O)C 62a_100000735457_100000204255 [0,2,0,0,0,0|0,0,1]=3 18459 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100000204255_100011216152 [0,2,0,0,0,0|0,0,0]=2 18460 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100011216152_100000204255 [0,2,0,0,0,0|0,0,0]=2 18461 B13R0.202 COC(=O)CCSCCCCN(C)C 62a_100000204255_100000690147 [0,2,0,0,0,0|1,0,0]=3 18462 B13R0.202 COC(=O)CCSCCCOC(=O)C 62a_100000042594_100000204255 [0,2,0,0,0,0|1,0,1]=4 18463 B13R0.202 COC(=O)CCSCCCOC(=O)C 62a_100000204255_100000042594 [0,2,0,0,0,0|1,0,1]=4 18464 B13R0.202 COC(=O)CCSCCCOC(=S)C 62a_100000204255_200135323944 [0,2,0,0,0,0|1,0,1]=4 18465 B13R0.202 COC(=O)CCSCCCOC(=S)C 62a_200135323944_100000204255 [0,2,0,0,0,0|1,0,1]=4 18466 B13R0.202 COC(=O)CCSCCCSC(=O)C 62a_100000038929_100000204255 [0,2,0,0,0,0|1,0,1]=4 18467 B13R0.202 COC(=O)CCSCCCSC(=O)C 62a_100000204255_100000038929 [0,2,0,0,0,0|1,0,1]=4 18468 B13R0.202 COC(=O)CCSCCOCC(F)F 62a_100000204255_200012177212 [0,2,0,0,0,0|2,0,0]=4 18469 B13R0.202 COC(=O)CCSCCOCC(F)F 62a_200012177212_100000204255 [0,2,0,0,0,0|2,0,0]=4 18470 B13R0.202 COC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747449 [0,2,0,0,0,0|0,0,0]=2 18471 B13R0.202 COC(=O)CNCCCCCC(C)C 34a_100011290863_100000747449 [0,2,0,0,0,0|0,0,0]=2 18472 B13R0.202 COC(=O)CNCCCCNC(=O)C 2230a_200011368371_100000747449 [0,2,0,0,0,0|1,0,1]=4 18473 B13R0.202 COC(=O)CNCCCCNC(=O)C 34a_200011368371_100000747449 [0,2,0,0,0,0|1,0,1]=4 18474 B13R0.202 COC(=O)CNCCCOCC(C)C 2230a_100000205972_100000747449 [0,2,0,0,0,0|1,0,0]=3 18475 B13R0.202 COC(=O)CNCCCOCC(C)C 34a_100000205972_100000747449 [0,2,0,0,0,0|1,0,0]=3 18476 B13R0.202 COC(=O)COCCCCCC(=O)N 34a_100000123541_100000747449 [0,2,0,0,0,0|1,0,1]=4 18477 B13R0.202 COC(=O)COCCCCCC(=O)N 7a_100000123541_100000747449 [0,2,0,0,0,0|1,0,1]=4 18478 B13R0.202 COC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000747449 [0,2,0,0,0,0|1,0,1]=4 18479 B13R0.202 COC(=O)COCCCCCC(C)C 34a_100011995859_100000747449 [0,2,0,0,0,0|0,0,0]=2 18480 B13R0.202 COC(=O)COCCCCCC(C)C 7a_100011995859_100000747449 [0,2,0,0,0,0|0,0,0]=2 18481 B13R0.202 COC(=O)COCCCCNC(C)C 34a_100011521146_100000747449 [0,2,0,0,0,0|1,0,0]=3 18482 B13R0.202 COC(=O)COCCCCOC(=O)C 34a_100000073216_100000747449 [0,2,0,0,0,0|1,0,1]=4 18483 B13R0.202 COC(=O)COCCCCOC(=O)C 7a_100000073216_100000747449 [0,2,0,0,0,0|1,0,1]=4 18484 B13R0.202 COC(=O)COCCNCCC(C)O 2230a_200000755665_100000090808 [0,2,0,0,0,0|1,0,0]=3 18485 B13R0.202 COC(=O)COCCOCCC(=O)C 34a_100000759926_100000090808 [0,2,0,0,0,0|1,0,1]=4 18486 B13R0.202 COC(=O)COCCOCCC(=O)C 7a_100000759926_100000090808 [0,2,0,0,0,0|1,0,1]=4 18487 B13R0.202 COC(=O)COCCOCCC(C)Br 34a_100009893172_100000090808 [0,2,0,0,0,0|1,0,0]=3 18488 B13R0.202 COC(=O)COCCOCCC(C)C 34a_100000210254_100000090808 [0,2,0,0,0,0|1,0,0]=3 18489 B13R0.202 COC(=O)COCCOCCC(C)C 7a_100000210254_100000090808 [0,2,0,0,0,0|1,0,0]=3 18490 B13R0.202 COC(=O)COCCOCCC(F)F 34a_100103093639_100000090808 [0,2,0,0,0,0|2,0,0]=4 18491 B13R0.202 COC(=O)COCCOCC[C@@H](C)N 34a_100000706166_100000090808 [0,2,0,0,0,0|1,0,0]=3 18492 B13R0.202 COC(=O)COCCSCCC(=O)C 62a_100000053229_100000090808 [0,2,0,0,0,0|1,0,1]=4 18493 B13R0.202 COC(=O)COCCSCCC(=O)C 62a_100000090808_100000053229 [0,2,0,0,0,0|1,0,1]=4 18494 B13R0.202 COC(=O)COCCSCCC(C)C 62a_100000090808_100000210312 [0,2,0,0,0,0|1,0,0]=3 18495 B13R0.202 COC(=O)COCCSCCC(C)C 62a_100000210312_100000090808 [0,2,0,0,0,0|1,0,0]=3 18496 B13R0.202 COC(=O)COCCSCCC(C)O 62a_100000090808_100012276601 [0,2,0,0,0,0|1,0,0]=3 18497 B13R0.202 COC(=O)COCCSCCC(C)O 62a_100012276601_100000090808 [0,2,0,0,0,0|1,0,0]=3 18498 B13R0.202 COC(=O)COCCSCCN(C)C 62a_100000090808_100000755713 [0,2,0,0,0,0|2,0,0]=4 18499 B13R0.202 COC(=O)COCCSCOC(C)C 62a_100000090808_100000709892 [0,2,0,0,0,0|2,0,0]=4 18500 B13R0.202 COC(=O)COCCSCOC(C)C 62a_100000709892_100000090808 [0,2,0,0,0,0|2,0,0]=4 18501 B13R0.202 COC(=O)CSCCCCCB(O)O 62a_100000747449_200009817188 [0,2,0,0,0,0|2,0,0]=4 18502 B13R0.202 COC(=O)CSCCCCCB(O)O 62a_200009817188_100000747449 [0,2,0,0,0,0|2,0,0]=4 18503 B13R0.202 COC(=O)CSCCCCCC(=O)N 62a_100000747449_100009817443 [0,2,0,0,0,0|1,0,1]=4 18504 B13R0.202 COC(=O)CSCCCCCC(=O)N 62a_100009817443_100000747449 [0,2,0,0,0,0|1,0,1]=4 18505 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000210682_100000747449 [0,2,0,0,0,0|0,0,0]=2 18506 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000747449_100000210682 [0,2,0,0,0,0|0,0,0]=2 18507 B13R0.202 COC(=O)CSCCCCOC(=O)C 62a_100000033659_100000747449 [0,2,0,0,0,0|1,0,1]=4 18508 B13R0.202 COC(=O)CSCCCCOC(=O)C 62a_100000747449_100000033659 [0,2,0,0,0,0|1,0,1]=4 18509 B13R0.202 COC(=O)CSCCCCSC(=O)C 62a_100000747449_200010402107 [0,2,0,0,0,0|1,0,1]=4 18510 B13R0.202 COC(=O)CSCCCCSC(=O)C 62a_200010402107_100000747449 [0,2,0,0,0,0|1,0,1]=4 18511 B13R0.202 COC(=O)NCCOCCCC(=O)C 34a_100000757965_100000685027 [0,2,0,0,0,0|1,0,1]=4 18512 B13R0.202 COC(=O)NCCOCCCC(C)C 34a_100000757965_100011214892 [0,2,0,0,0,0|1,0,0]=3 18513 B13R0.202 COC(=O)NCCOCCCC(C)O 34a_100000757965_200000718107 [0,2,0,0,0,0|1,0,0]=3 18514 B13R0.202 COC(=O)NCCOCCOC(C)C 34a_100000757965_100000211751 [0,2,0,0,0,0|2,0,0]=4 18515 B13R0.202 COC(=O)NCCOCCSC(C)C 34a_100000757965_100000730970 [0,2,0,0,0,0|2,0,0]=4 18516 B13R0.202 COC(=O)OCCOCCCC(=O)C 34a_100010262106_100000685027 [0,2,0,0,0,0|1,0,1]=4 18517 B13R0.202 COC(=O)OCCOCCCC(C)C 34a_100010262106_100011214892 [0,2,0,0,0,0|1,0,0]=3 18518 B13R0.202 COC(=O)OCCOCCCC(C)O 34a_100010262106_200000718107 [0,2,0,0,0,0|1,0,0]=3 18519 B13R0.202 COC(=O)OCCOCCOC(C)C 34a_100010262106_100000211751 [0,2,0,0,0,0|2,0,0]=4 18520 B13R0.202 COC(=O)OCCOCCSC(C)C 34a_100010262106_100000730970 [0,2,0,0,0,0|2,0,0]=4 18521 B13R0.202 COC(=O)OCSCCCCC(=O)C 62a_100000735457_100000139417 [0,2,0,0,0,0|1,0,1]=4 18522 B13R0.202 COC(=O)OCSCCCCC(C)C 62a_100011216152_100000139417 [0,2,0,0,0,0|1,0,0]=3 18523 B13R0.202 COC(C)CCOCCCCC(C)C 7a_100000764861_100011216152 [0,2,0,0,0,0|1,0,1]=4 18524 B13R0.202 COC(C)COCCCCCC(C)C 34a_100000690652_100000210682 [0,2,0,0,0,0|1,0,1]=4 18525 B13R0.202 CO[C@H](C)CNCCCCCC(C)C 2230a_100020591295_100000210682 [0,2,0,0,0,0|1,0,1]=4 18526 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 270084a_100000229939_100000211323 [0,2,0,0,0,0|2,0,0]=4 18527 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 274078a_100000229939_100000211323 [0,2,0,0,0,0|2,0,0]=4 18528 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 40a_100000229939_100000053943 [0,2,0,0,0,0|2,0,0]=4 18529 B13R0.1215 CCCCCCCNCC(C)(C)OC 2230a_100000763424_100000210681 [0,2,0,0,0,0|1,0,1]=4 18530 B13R0.1215 CCCCCCCOCC(C)(C)OC 34a_100000210272_100000701081 [0,2,0,0,0,0|1,0,1]=4 18531 B13R0.1215 CCCCCCCSCC(C)(C)OC 62a_100000210614_100000701081 [0,2,0,0,0,0|1,0,1]=4 18532 B13R0.1215 CCCCCCCSCC(C)(C)OC 62a_100000701081_100000210316 [0,2,0,0,0,0|1,0,1]=4 18533 B13R0.1215 CCCCCCNCCS(=O)(=O)CC 2230a_100000210581_100000756660 [0,2,0,0,0,0|2,0,0]=4 18534 B13R0.1215 CCCCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210314 [0,2,0,0,0,0|2,0,0]=4 18535 B13R0.1215 CCCCCCNCCS(=O)(=O)CC 34a_100000751051_100000210314 [0,2,0,0,0,0|2,0,0]=4 18536 B13R0.1215 CCCCCCNCCS(=O)(=O)NC 2230a_100000710037_100000210314 [0,2,0,0,0,0|2,0,0]=4 18537 B13R0.1215 CCCCCCNCCS(=O)(=O)NC 34a_100000710037_100000210314 [0,2,0,0,0,0|2,0,0]=4 18538 B13R0.1215 CCCCCCOCCC(C)(C)OC 7a_100000699976_100000210314 [0,2,0,0,0,0|1,0,1]=4 18539 B13R0.1215 CCCCCCOCCS(=O)(=O)CC 34a_100000210259_100000756660 [0,2,0,0,0,0|2,0,0]=4 18540 B13R0.1215 CCCCCCOCCS(=O)(=O)CC 34a_200011216379_100000210314 [0,2,0,0,0,0|2,0,0]=4 18541 B13R0.1215 CCCCCCOCCS(=O)(=O)CC 7a_100000210259_100000756660 [0,2,0,0,0,0|2,0,0]=4 18542 B13R0.1215 CCCCCCOCCS(=O)(=O)CC 7a_200011216379_100000210314 [0,2,0,0,0,0|2,0,0]=4 18543 B13R0.1215 CCCCCCSCCS(=O)(=O)CC 62a_100000210314_100000756660 [0,2,0,0,0,0|2,0,0]=4 18544 B13R0.1215 CCCCCCSCCS(=O)(=O)CC 62a_100000756660_100000210757 [0,2,0,0,0,0|2,0,0]=4 18545 B13R0.57 CC(C)(C)C(=O)CCCCCCCO 1458a_106744555173_100000760002 [0,2,0,0,0,0|2,0,0]=4 18546 B13R0.57 CC(C)(F)C(=O)CCCCCCCO 1458a_100000765255_100000760002 [0,2,0,0,0,0|2,0,0]=4 18547 B13R0.57 CC(C)(O)C(=O)CCCCCCCO 1458a_100000242741_100000760002 [0,2,0,0,0,0|2,0,0]=4 18548 B13R0.57 CCCCCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210759 [0,2,0,0,0,0|1,0,0]=3 18549 B13R0.57 CCCCCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210759 [0,2,0,0,0,0|1,0,0]=3 18550 B13R0.57 CCCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210759 [0,2,0,0,0,0|1,0,0]=3 18551 B13R0.57 CCCCCCCCC(=O)C(F)(F)F 1458a_100000210188_200000243211 [0,2,0,0,0,0|2,0,0]=4 18552 B13R0.57 CCCCCCCCC(=O)C(F)(F)F 1458a_100015355933_100000210759 [0,2,0,0,0,0|2,0,0]=4 18553 B13R0.57 CCCCCCCNC(=O)C(C)(C)C 11a_100000229938_106744555173 [0,2,0,0,0,0|2,0,0]=4 18554 B13R0.57 CCCCCCCNC(=O)C(C)(C)C 1626a_100000229938_106744555173 [0,2,0,0,0,0|2,0,0]=4 18555 B13R0.57 CCCCCCCNC(=O)C(C)(C)C 240690a_100000229938_106744555173 [0,2,0,0,0,0|2,0,0]=4 18556 B13R0.57 CCCCCCCNC(=O)C(C)(C)C 527a_100000229938_106744555173 [0,2,0,0,0,0|2,0,0]=4 18557 B13R0.57 CCCCCCCNC(=O)C(C)(C)F 11a_100000229938_100000765255 [0,2,0,0,0,0|2,0,0]=4 18558 B13R0.57 CCCCCCCNC(=O)C(C)(C)F 1626a_100000229938_100000765255 [0,2,0,0,0,0|2,0,0]=4 18559 B13R0.57 CCCCCCCNC(=O)C(C)(C)F 240690a_100000229938_100000765255 [0,2,0,0,0,0|2,0,0]=4 18560 B13R0.57 CCCCCCCNC(=O)C(C)(C)F 527a_100000229938_100000765255 [0,2,0,0,0,0|2,0,0]=4 18561 B13R0.57 CCCCCCCNC(=O)C(C)(C)O 240690a_100000229938_100000242741 [0,2,0,0,0,0|2,0,0]=4 18562 B13R0.57 CCCCCCCNC(=O)C(C)(F)F 11a_100000229938_100000042251 [0,2,0,0,0,0|2,0,0]=4 18563 B13R0.57 CCCCCCCNC(=O)C(C)(F)F 1626a_100000229938_100000042251 [0,2,0,0,0,0|2,0,0]=4 18564 B13R0.57 CCCCCCCNC(=O)C(C)(F)F 240690a_100000229938_100000042251 [0,2,0,0,0,0|2,0,0]=4 18565 B13R0.57 CCCCCCCNC(=O)C(C)(F)F 527a_100000229938_100000042251 [0,2,0,0,0,0|2,0,0]=4 18566 B13R0.57 CCCCCCOCC(=O)C(C)(C)C 34a_100000210259_100000229897 [0,2,0,0,0,0|2,0,0]=4 18567 B13R0.57 CCCCCCOCC(=O)C(C)(C)C 34a_200011592769_100000210314 [0,2,0,0,0,0|2,0,0]=4 18568 B13R0.57 CCCCCCOCC(=O)C(C)(C)C 7a_100000210259_100000210923 [0,2,0,0,0,0|2,0,0]=4 18569 B13R0.57 CCCCCCOCC(=O)C(C)(C)C 7a_200011592769_100000210314 [0,2,0,0,0,0|2,0,0]=4 18570 B13R0.57 CCCCCCSCC(=O)C(C)(C)C 62a_100000210314_100000210923 [0,2,0,0,0,0|2,0,0]=4 18571 B13R0.57 CCCCCCSCC(=O)C(C)(C)C 62a_100000210923_100000210757 [0,2,0,0,0,0|2,0,0]=4 18572 B13R0.57 COCCCCCCC(=O)C(C)(C)C 1458a_106744555173_100011998445 [0,2,0,0,0,0|2,0,0]=4 18573 B13R0.57 COCCCCCCC(=O)C(C)(C)F 1458a_100000765255_100011998445 [0,2,0,0,0,0|2,0,0]=4 18574 B13R0.57 COCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100011998445 [0,2,0,0,0,0|2,0,0]=4 18575 B13R0.91 CCCC(=O)CCCCC(=O)N(C)C 1458a_100000211992_100000752486 [0,2,0,0,0,0|1,0,1]=4 18576 B13R0.91 CCCC(C)CCOCC(=O)C(=O)C 34a_100011217855_100011261029 [0,2,0,0,0,0|2,0,0]=4 18577 B13R0.91 CCCC(C)CCOCC(=O)C(C)C 34a_100011217855_100000753385 [0,2,0,0,0,0|2,0,0]=4 18578 B13R0.91 CCCC(C)CCOCC(=O)C(C)C 7a_100011217855_100000753385 [0,2,0,0,0,0|2,0,0]=4 18579 B13R0.91 CCCC(C)CCOCC(=O)N(C)C 34a_100011217855_100000692301 [0,2,0,0,0,0|2,0,0]=4 18580 B13R0.91 CCCC(C)CCOCC(=O)N(C)C 7a_100011217855_100000692301 [0,2,0,0,0,0|2,0,0]=4 18581 B13R0.91 CCCC(C)CNCCC(=O)N(C)C 2230a_100000738053_100011216630 [0,2,0,0,0,0|2,0,0]=4 18582 B13R0.91 CCCC(C)CNCCC(=O)N(C)C 270004a_100000738053_100000243154 [0,2,0,0,0,0|2,0,0]=4 18583 B13R0.91 CCCC(C)COCCC(=O)N(C)C 34a_200000747469_100011216630 [0,2,0,0,0,0|2,0,0]=4 18584 B13R0.91 CCCC(C)COCCC(=O)N(C)C 7a_100000688023_100000737620 [0,2,0,0,0,0|2,0,0]=4 18585 B13R0.91 CCCC(C)CSCCC(=O)N(C)C 62a_100000737620_100011216630 [0,2,0,0,0,0|2,0,0]=4 18586 B13R0.91 CCCC(C)CSCCC(=O)N(C)C 62a_100011216630_100000737620 [0,2,0,0,0,0|2,0,0]=4 18587 B13R0.91 CCCC(C)NCCCC(=O)N(C)C 2230a_100000741246_100000737642 [0,2,0,0,0,0|2,0,0]=4 18588 B13R0.91 CCCC(C)NCCCC(=O)N(C)C 2230a_200000744827_100000766640 [0,2,0,0,0,0|2,0,0]=4 18589 B13R0.91 CCCC(C)NCCCC(=O)N(C)C 270004a_200000744827_100000211909 [0,2,0,0,0,0|2,0,0]=4 18590 B13R0.91 CCCC(C)OCCCC(=O)N(C)C 7a_100000764384_100000737642 [0,2,0,0,0,0|2,0,0]=4 18591 B13R0.91 CCCC(C)SCCCC(=O)N(C)C 62a_100000737642_100000766640 [0,2,0,0,0,0|2,0,0]=4 18592 B13R0.91 CCCC(C)SCCCC(=O)N(C)C 62a_100000766640_100000737642 [0,2,0,0,0,0|2,0,0]=4 18593 B13R0.91 CCCN(C)CCCCC(=O)N(C)C 269982a_100000747261_100000752486 [0,2,0,0,0,0|2,0,0]=4 18594 B13R0.91 CCC[C@H](N)CCOCC(=O)C(=O)C 34a_100015193777_100011261029 [0,2,0,0,0,0|2,0,0]=4 18595 B13R0.91 CCC[C@H](N)CCOCC(=O)C(C)C 34a_100015193777_100000753385 [0,2,0,0,0,0|2,0,0]=4 18596 B13R0.91 CCC[C@H](N)CCOCC(=O)N(C)C 34a_100015193777_100000692301 [0,2,0,0,0,0|2,0,0]=4 18597 B13R0.413 CCCCCCCCS(=O)(=O)N(C)C 270084a_100102631434_100011218563 [0,2,0,0,0,0|2,0,0]=4 18598 B13R0.413 CCCCCCCCS(=O)(=O)N(C)C 274078a_100102631434_100011218563 [0,2,0,0,0,0|2,0,0]=4 18599 B13R0.226 CCCC(C)(C)COCCC(=O)NC 7a_100011995695_100000737683 [0,2,0,0,0,0|2,0,0]=4 18600 B13R0.226 CCCC(C)(C)COCCC(=O)OC 7a_100011995695_100000204255 [0,2,0,0,0,0|1,0,0]=3 18601 B13R0.226 CCCC(C)(C)OCCCC(=O)NC 7a_100000748436_100000741757 [0,2,0,0,0,0|2,0,0]=4 18602 B13R0.226 CCCC(C)(C)OCCCC(=O)OC 7a_100000748436_100011218270 [0,2,0,0,0,0|1,0,0]=3 18603 B13R0.226 CCNC(C)(C)COCCC(=O)OC 7a_100000747347_100000204255 [0,2,0,0,0,0|2,0,0]=4 18604 B13R0.226 CCNS(=O)(=O)CCCCC(=O)OC 270084a_100015525214_100000055593 [0,2,0,0,0,0|2,0,0]=4 18605 B13R0.226 CCNS(=O)(=O)CCCCC(=O)OC 274078a_100015525214_100000055593 [0,2,0,0,0,0|2,0,0]=4 18606 B13R0.226 COC(=O)CCCNC(C)(C)CSC 2230a_100000759623_100011218270 [0,2,0,0,0,0|2,0,0]=4 18607 B13R0.226 COC(=O)CCCNC(C)(C)CSC 7a_100000759623_100011218270 [0,2,0,0,0,0|2,0,0]=4 18608 B13R0.226 COC(=O)CCCOC(C)(C)CCBr 7a_100000702414_100011218270 [0,2,0,0,0,0|2,0,0]=4 18609 B13R0.226 COCC(C)(C)CNCCC(=O)OC 2230a_100000734190_100000204255 [0,2,0,0,0,0|2,0,0]=4 18610 B13R0.226 COCC(C)(C)NCCCC(=O)OC 2230a_100000752728_100011218270 [0,2,0,0,0,0|2,0,0]=4 18611 B13R0.308 C#CC(CCC)OCCCC(=O)NC 34a_200011217317_100000741757 [0,2,0,0,0,0|2,0,0]=4 18612 B13R0.308 C#CC(CCC)OCCCC(=O)NC 7a_200011217317_100000741757 [0,2,0,0,0,0|2,0,0]=4 18613 B13R0.308 C#CC(CCC)OCCCC(=O)OC 34a_200011217317_100000742333 [0,2,0,0,0,0|1,0,0]=3 18614 B13R0.308 C#CC(CCC)OCCCC(=O)OC 7a_200011217317_100011218270 [0,2,0,0,0,0|1,0,0]=3 18615 B13R0.308 C=CC(CCC)OCCCC(=O)NC 34a_100011216692_100000741757 [0,2,0,0,0,0|2,0,0]=4 18616 B13R0.308 C=CC(CCC)OCCCC(=O)NC 7a_100011216692_100000741757 [0,2,0,0,0,0|2,0,0]=4 18617 B13R0.308 C=CC(CCC)OCCCC(=O)OC 34a_100011216692_100000742333 [0,2,0,0,0,0|1,0,0]=3 18618 B13R0.308 C=CC(CCC)OCCCC(=O)OC 7a_100011216692_100011218270 [0,2,0,0,0,0|1,0,0]=3 18619 B13R0.308 CCC(COC)NCCCC(=O)OC 2230a_100000757820_100011218270 [0,2,0,0,0,0|2,0,0]=4 18620 B13R0.308 CCC(COC)OCCCC(=O)OC 7a_200011214946_100011218270 [0,2,0,0,0,0|2,0,0]=4 18621 B13R0.308 CCCC(C#N)OCCCC(=O)NC 34a_100000686963_100000741757 [0,2,0,0,0,0|2,0,0]=4 18622 B13R0.308 CCCC(C#N)OCCCC(=O)NC 7a_100000686963_100000741757 [0,2,0,0,0,0|2,0,0]=4 18623 B13R0.308 CCCC(C#N)OCCCC(=O)OC 34a_100000686963_100000742333 [0,2,0,0,0,0|1,0,0]=3 18624 B13R0.308 CCCC(C#N)OCCCC(=O)OC 7a_100000686963_100011218270 [0,2,0,0,0,0|1,0,0]=3 18625 B13R0.308 CCCC(CC)NCCCC(=O)NC 2230a_100000747048_100000741757 [0,2,0,0,0,0|2,0,0]=4 18626 B13R0.308 CCCC(CC)NCCCC(=O)NC 270004a_100000740002_100000687865 [0,2,0,0,0,0|2,0,0]=4 18627 B13R0.308 CCCC(CC)NCCCC(=O)OC 2230a_100000747048_100011218270 [0,2,0,0,0,0|1,0,0]=3 18628 B13R0.308 CCCC(CC)OCCCC(=O)NC 34a_100000687864_100000741757 [0,2,0,0,0,0|2,0,0]=4 18629 B13R0.308 CCCC(CC)OCCCC(=O)NC 7a_100000687864_100000741757 [0,2,0,0,0,0|2,0,0]=4 18630 B13R0.308 CCCC(CC)OCCCC(=O)OC 34a_100000687864_100000742333 [0,2,0,0,0,0|1,0,0]=3 18631 B13R0.308 CCCC(CC)OCCCC(=O)OC 7a_100000687864_100011218270 [0,2,0,0,0,0|1,0,0]=3 18632 B13R0.308 CCCC(CC)SCCCC(=O)NC 62a_100000741757_100011219200 [0,2,0,0,0,0|2,0,0]=4 18633 B13R0.308 CCCC(CC)SCCCC(=O)NC 62a_100011219200_100000741757 [0,2,0,0,0,0|2,0,0]=4 18634 B13R0.308 CCCC(CC)SCCCC(=O)OC 62a_100011218270_100011219200 [0,2,0,0,0,0|1,0,0]=3 18635 B13R0.308 CCCC(CC)SCCCC(=O)OC 62a_100011219200_100011218270 [0,2,0,0,0,0|1,0,0]=3 18636 B13R0.308 CCCC(CCOCC(=O)CC)SC 7a_100000032865_100000747405 [0,2,0,0,0,0|2,0,0]=4 18637 B13R0.308 CCCC(CCOCC(=O)NC)SC 34a_100000032865_100000183359 [0,2,0,0,0,0|2,0,0]=4 18638 B13R0.308 CCCC(CCOCC(=O)NC)SC 7a_100000032865_100000183359 [0,2,0,0,0,0|2,0,0]=4 18639 B13R0.308 CCCC(CCOCC(=O)OC)SC 34a_100000032865_100000747449 [0,2,0,0,0,0|1,0,0]=3 18640 B13R0.308 CCCC(CCOCC(=O)OC)SC 7a_100000032865_100000747449 [0,2,0,0,0,0|1,0,0]=3 18641 B13R0.308 CCCN(CC)CCCCC(=O)OC 2230a_100000226822_100000204269 [0,2,0,0,0,0|1,0,0]=3 18642 B13R0.308 CCCN(CC)CCCCC(=O)OC 269982a_100000226822_100000204269 [0,2,0,0,0,0|1,0,0]=3 18643 B13R0.308 CCCN(CC)CCOCC(=O)OC 2230a_100000226822_100000090808 [0,2,0,0,0,0|2,0,0]=4 18644 B13R0.308 CCC[C@@H](CO)NCCCC(=O)NC 2230a_100000732646_100000741757 [0,2,0,0,0,0|2,0,0]=4 18645 B13R0.308 CCC[C@@H](CO)NCCCC(=O)NC 34a_100000732646_100000741757 [0,2,0,0,0,0|2,0,0]=4 18646 B13R0.308 CCC[C@@H](CO)NCCCC(=O)OC 2230a_100000732646_100011218270 [0,2,0,0,0,0|1,0,0]=3 18647 B13R0.308 CCC[C@@H](CO)NCCCC(=O)OC 34a_100000732646_100000742333 [0,2,0,0,0,0|1,0,0]=3 18648 B13R0.308 CCN(CCO)CCCCC(=O)OC 2230a_100000210973_100000204269 [0,2,0,0,0,0|2,0,0]=4 18649 B13R0.308 CCN(CCO)CCCCC(=O)OC 269982a_100000210973_100000204269 [0,2,0,0,0,0|2,0,0]=4 18650 B13R0.308 CCOC(CC)CNCCC(=O)OC 2230a_100015183923_100000204255 [0,2,0,0,0,0|2,0,0]=4 18651 B13R0.308 CCOC(CC)CNCCC(=O)OC 34a_100015183923_100000742370 [0,2,0,0,0,0|2,0,0]=4 18652 B13R0.308 COCC(CCl)OCCCC(=O)OC 34a_100011215053_100000742333 [0,2,0,0,0,0|2,0,0]=4 18653 B13R0.308 COCC(CN)OCCCC(=O)OC 34a_100000756049_100000742333 [0,2,0,0,0,0|2,0,0]=4 18654 B13R0.308 COCC(CO)NCCCC(=O)OC 2230a_100000724102_100011218270 [0,2,0,0,0,0|2,0,0]=4 18655 B13R0.308 COCC(CO)NCCCC(=O)OC 34a_100000724102_100000742333 [0,2,0,0,0,0|2,0,0]=4 18656 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [1,0,0,1,0,0|2,0,0]=4 18657 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [1,0,0,1,0,0|2,0,0]=4 18658 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [1,0,0,1,0,0|2,0,0]=4 18659 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [1,0,0,1,0,0|2,0,0]=4 18660 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [1,0,0,1,0,0|2,0,0]=4 18661 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [1,0,0,1,0,0|1,0,0]=3 18662 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [1,0,0,1,0,0|2,0,0]=4 18663 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [1,0,0,1,0,0|2,0,0]=4 18664 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [1,0,0,1,0,0|2,0,0]=4 18665 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [1,0,0,1,0,0|2,0,0]=4 18666 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [1,0,0,1,0,0|2,0,0]=4 18667 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [1,0,0,1,0,0|2,0,0]=4 18668 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [1,0,0,1,0,0|2,0,0]=4 18669 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [1,0,0,1,0,0|2,0,0]=4 18670 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [1,0,0,1,0,0|1,0,0]=3 18671 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [1,0,0,1,0,0|2,0,0]=4 18672 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [1,0,0,1,0,0|2,0,0]=4 18673 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [1,0,0,1,0,0|2,0,0]=4 18674 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [1,0,0,1,0,0|2,0,0]=4 18675 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [1,0,0,1,0,0|2,0,0]=4 18676 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [1,0,0,1,0,0|2,0,0]=4 18677 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [1,0,0,1,0,0|2,0,0]=4 18678 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [1,0,0,1,0,0|2,0,0]=4 18679 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [1,0,0,1,0,0|2,0,0]=4 18680 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [1,0,0,1,0,0|2,0,0]=4 18681 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [1,0,0,1,0,0|2,0,0]=4 18682 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [1,0,0,1,0,0|2,0,0]=4 18683 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [1,0,0,1,0,0|2,0,0]=4 18684 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [1,0,0,1,0,0|2,0,0]=4 18685 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [1,0,0,1,0,0|2,0,0]=4 18686 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [1,0,0,1,0,0|2,0,0]=4 18687 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [1,0,0,1,0,0|2,0,0]=4 18688 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [1,0,0,1,0,0|2,0,0]=4 18689 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [1,0,0,1,0,0|2,0,0]=4 18690 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [1,0,0,1,0,0|2,0,0]=4 18691 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [1,0,0,1,0,0|2,0,0]=4 18692 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [1,0,0,1,0,0|2,0,0]=4 18693 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [1,0,0,1,0,0|2,0,0]=4 18694 B11R1.53 CCC1CCCCC1N(C)C 270004a_100102631434_100000757040 [1,0,0,1,0,0|2,0,0]=4 18695 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [1,0,0,1,0,0|1,0,0]=3 18696 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [1,0,0,1,0,0|1,0,0]=3 18697 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [1,0,0,1,0,0|1,0,0]=3 18698 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [1,0,0,1,0,0|1,0,0]=3 18699 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [1,0,0,1,0,0|1,0,0]=3 18700 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [1,0,0,1,0,0|2,0,0]=4 18701 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [1,0,0,1,0,0|2,0,0]=4 18702 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [1,0,0,1,0,0|2,0,0]=4 18703 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [1,0,0,1,0,0|1,0,0]=3 18704 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [1,0,0,1,0,0|1,0,0]=3 18705 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [1,0,0,1,0,0|2,0,0]=4 18706 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [1,0,0,1,0,0|2,0,0]=4 18707 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [1,0,0,1,0,0|2,0,0]=4 18708 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [1,0,0,1,0,0|2,0,0]=4 18709 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [1,0,0,1,0,0|2,0,0]=4 18710 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [1,0,0,1,0,0|2,0,0]=4 18711 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [1,0,0,1,0,0|2,0,0]=4 18712 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [1,0,0,1,0,0|1,0,0]=3 18713 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [1,0,0,1,0,0|2,0,0]=4 18714 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [1,0,0,1,0,0|1,0,0]=3 18715 B11R1.57 C=C(C)CN1CCCC1CC 2230a_100000754278_100000748629 [1,0,0,1,0,0|2,0,0]=4 18716 B11R1.57 C=C(C)CN1CCCC1CC 269982a_100000754278_100000748629 [1,0,0,1,0,0|2,0,0]=4 18717 B11R1.57 C=C(C)CN1CCCC1CC 34a_100000754278_100000748629 [1,0,0,1,0,0|2,0,0]=4 18718 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [1,0,0,1,0,0|2,0,0]=4 18719 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [1,0,0,1,0,0|2,0,0]=4 18720 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [1,0,0,1,0,0|2,0,0]=4 18721 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [1,0,0,1,0,0|1,0,1]=4 18722 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [1,0,0,1,0,0|1,0,1]=4 18723 B11R1.78 C=C1CC(C1)CNCCCC 2230a_100102567296_100000210211 [1,0,0,1,0,0|2,0,0]=4 18724 B11R1.78 C=C1CC(C1)CNCCCC 34a_100102567296_100000210210 [1,0,0,1,0,0|2,0,0]=4 18725 B11R1.78 C=C1CC(C1)COCCCC 34a_100011011225_100000210210 [1,0,0,1,0,0|2,0,0]=4 18726 B11R1.78 C=C1CC(C1)NCCCCC 2230a_100132301982_100000210326 [1,0,0,1,0,0|2,0,0]=4 18727 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [1,0,0,1,0,0|1,0,0]=3 18728 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [1,0,0,1,0,0|1,0,0]=3 18729 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [1,0,0,1,0,0|1,0,0]=3 18730 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [1,0,0,1,0,0|1,0,0]=3 18731 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [1,0,0,1,0,0|1,0,0]=3 18732 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [1,0,0,1,0,0|1,0,0]=3 18733 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [1,0,0,1,0,0|1,0,0]=3 18734 B11R1.78 CCOCCSC1CC(=O)C1 62a_100009894365_100011215890 [1,0,0,1,0,0|2,0,0]=4 18735 B11R1.78 CCOCSCC1CC(=O)C1 62a_100000739092_100009874392 [1,0,0,1,0,0|2,0,0]=4 18736 B11R1.78 CCOCSCC1CC(=O)C1 62a_100009874392_100000739092 [1,0,0,1,0,0|2,0,0]=4 18737 B11R1.78 CCSCCSC1CC(=O)C1 62a_100009894365_100000757381 [1,0,0,1,0,0|2,0,0]=4 18738 B11R1.78 COCCCSC1CC(=O)C1 62a_100009894365_100000709357 [1,0,0,1,0,0|2,0,0]=4 18739 B11R1.78 COCCNCC1CC(=O)C1 2230a_100000209980_100009874392 [1,0,0,1,0,0|2,0,0]=4 18740 B11R1.78 COCCOCC1CC(=O)C1 34a_100000101936_100011201679 [1,0,0,1,0,0|2,0,0]=4 18741 B11R1.78 COCCSCC1CC(=O)C1 62a_100000233755_100009874392 [1,0,0,1,0,0|2,0,0]=4 18742 B11R1.78 COCCSCC1CC(=O)C1 62a_100009874392_100000233755 [1,0,0,1,0,0|2,0,0]=4 18743 B11R1.78 CSCCNCC1CC(=O)C1 2230a_100020590264_100009874392 [1,0,0,1,0,0|2,0,0]=4 18744 B11R1.78 CSCCOCC1CC(=O)C1 34a_100000101936_100000212216 [1,0,0,1,0,0|2,0,0]=4 18745 B11R1.78 CSCCOCC1CC(=O)C1 7a_100000230434_100009874392 [1,0,0,1,0,0|2,0,0]=4 18746 B11R1.78 CSCCSCC1CC(=O)C1 62a_100000212216_100009874392 [1,0,0,1,0,0|2,0,0]=4 18747 B11R1.78 CSCCSCC1CC(=O)C1 62a_100009874392_100000751147 [1,0,0,1,0,0|2,0,0]=4 18748 B11R1.78 O=C1CC(C1)CNCCCF 2230a_100015189416_100009874392 [1,0,0,1,0,0|2,0,0]=4 18749 B11R1.78 O=C1CC(C1)COCCCF 34a_100000101936_100011934791 [1,0,0,1,0,0|2,0,0]=4 18750 B11R1.78 O=C1CC(C1)COCCCO 34a_100000101936_100000230001 [1,0,0,1,0,0|2,0,0]=4 18751 B11R1.78 O=C1CC(C1)CSCCCF 62a_100009874392_100011934791 [1,0,0,1,0,0|2,0,0]=4 18752 B11R1.78 O=C1CC(C1)CSCCCF 62a_100011934791_100009874392 [1,0,0,1,0,0|2,0,0]=4 18753 B11R1.78 O=C1CC(C1)CSCCCO 62a_100009874392_100011215043 [1,0,0,1,0,0|2,0,0]=4 18754 B11R1.78 O=C1CC(C1)CSCCCO 62a_100011215043_100009874392 [1,0,0,1,0,0|2,0,0]=4 18755 B11R1.78 O=C1CC(C1)SCCCCF 62a_100009894365_100000729493 [1,0,0,1,0,0|2,0,0]=4 18756 B11R1.78 O=C1CC(C1)SCCCCO 62a_100009894365_100000210776 [1,0,0,1,0,0|2,0,0]=4 18757 B11R1.86 C=C(C)CN1CCCCC1C 2230a_100000211376_100000748629 [1,0,0,1,0,0|2,0,0]=4 18758 B11R1.86 C=C(C)CN1CCCCC1C 269982a_100000211376_100000748629 [1,0,0,1,0,0|2,0,0]=4 18759 B11R1.86 C=C(C)CN1CCCCC1C 34a_100000211376_100000748629 [1,0,0,1,0,0|2,0,0]=4 18760 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [1,0,0,1,0,0|1,0,0]=3 18761 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [1,0,0,1,0,0|1,0,0]=3 18762 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [1,0,0,1,0,0|1,0,0]=3 18763 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [1,0,0,1,0,0|1,0,0]=3 18764 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [1,0,0,1,0,0|1,0,0]=3 18765 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [1,0,0,1,0,0|2,0,0]=4 18766 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [1,0,0,1,0,0|2,0,0]=4 18767 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [1,0,0,1,0,0|2,0,0]=4 18768 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [1,0,0,1,0,0|2,0,0]=4 18769 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [1,0,0,1,0,0|2,0,0]=4 18770 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [1,0,0,1,0,0|2,0,0]=4 18771 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [1,0,0,1,0,0|2,0,0]=4 18772 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [1,0,0,1,0,0|2,0,0]=4 18773 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [1,0,0,1,0,0|2,0,0]=4 18774 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [1,0,0,1,0,0|1,0,1]=4 18775 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [1,0,0,1,0,0|1,0,1]=4 18776 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 18777 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 18778 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 18779 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 18780 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 18781 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 18782 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000730704 [1,0,0,1,0,0|2,0,0]=4 18783 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000730704 [1,0,0,1,0,0|2,0,0]=4 18784 B11R1.90 C=C(C)CCN1CCC[C@H]1C 2230a_100015189458_100000730704 [1,0,0,1,0,0|2,0,0]=4 18785 B11R1.90 C=C(C)CCN1CCC[C@H]1C 269982a_100015189458_100000730704 [1,0,0,1,0,0|2,0,0]=4 18786 B11R1.90 C=C(C)CCN1CCC[C@H]1C 34a_100015189458_100000730704 [1,0,0,1,0,0|2,0,0]=4 18787 B11R1.90 C=C(C)COC1CCCC1C 34a_100011216460_100000748629 [1,0,0,1,0,0|2,0,0]=4 18788 B11R1.90 C=C(C)COC1CCCC1C 7a_100011216460_100000748629 [1,0,0,1,0,0|2,0,0]=4 18789 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [1,0,0,1,0,0|1,0,0]=3 18790 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [1,0,0,1,0,0|1,0,0]=3 18791 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [1,0,0,1,0,0|1,0,0]=3 18792 B11R1.90 CC(=O)CCN1CCSC1C 269982a_200011216479_100000053229 [1,0,0,1,0,0|2,0,0]=4 18793 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [1,0,0,1,0,0|2,0,0]=4 18794 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [1,0,0,1,0,0|2,0,0]=4 18795 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [1,0,0,1,0,0|2,0,0]=4 18796 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [1,0,0,1,0,0|2,0,0]=4 18797 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [1,0,0,1,0,0|2,0,0]=4 18798 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [1,0,0,1,0,0|2,0,0]=4 18799 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [1,0,0,1,0,0|2,0,0]=4 18800 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [1,0,0,1,0,0|1,0,1]=4 18801 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 2230a_100015189458_100000744528 [1,0,0,1,0,0|2,0,0]=4 18802 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 269982a_100015189458_100000744528 [1,0,0,1,0,0|2,0,0]=4 18803 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 34a_100015189458_100000731001 [1,0,0,1,0,0|2,0,0]=4 18804 B11R1.90 C[C@H]1CCCN1CCC(=O)N 2230a_100020605311_100000744528 [1,0,0,1,0,0|2,0,0]=4 18805 B11R1.90 C[C@H]1CCCN1CCC(=O)N 269982a_100020605311_100000744528 [1,0,0,1,0,0|2,0,0]=4 18806 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [1,0,0,1,0,0|2,0,0]=4 18807 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [1,0,0,1,0,0|2,0,0]=4 18808 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [1,0,0,1,0,0|2,0,0]=4 18809 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [1,0,0,1,0,0|2,0,0]=4 18810 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [1,0,0,1,0,0|2,0,0]=4 18811 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [1,0,0,1,0,0|2,0,0]=4 18812 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [1,0,0,1,0,0|2,0,0]=4 18813 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [1,0,0,1,0,0|2,0,0]=4 18814 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [1,0,0,1,0,0|0,0,2]=4 18815 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,1,0,0|0,0,0]=2 18816 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,1,0,0|0,0,0]=2 18817 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [1,0,0,1,0,0|1,0,0]=3 18818 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [1,0,0,1,0,0|2,0,0]=4 18819 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [1,0,0,1,0,0|1,0,0]=3 18820 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [1,0,0,1,0,0|1,0,0]=3 18821 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [1,0,0,1,0,0|2,0,0]=4 18822 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [1,0,0,1,0,0|2,0,0]=4 18823 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000070787_100000753993 [1,0,0,1,0,0|2,0,0]=4 18824 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000749337_200000210301 [1,0,0,1,0,0|2,0,0]=4 18825 B11R1.91 CC(=O)CCN1CCOCC1 269982a_100015191051_100000053229 [1,0,0,1,0,0|2,0,0]=4 18826 B11R1.91 CC(=O)CCN1CCSCC1 269982a_100000737611_100000053229 [1,0,0,1,0,0|2,0,0]=4 18827 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [1,0,0,1,0,0|1,0,0]=3 18828 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [1,0,0,1,0,0|1,0,0]=3 18829 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [1,0,0,1,0,0|1,0,0]=3 18830 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [1,0,0,1,0,0|2,0,0]=4 18831 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [1,0,0,1,0,0|2,0,0]=4 18832 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [1,0,0,1,0,0|1,0,0]=3 18833 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [1,0,0,1,0,0|1,0,0]=3 18834 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [1,0,0,1,0,0|1,0,0]=3 18835 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [1,0,0,1,0,0|1,0,0]=3 18836 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [1,0,0,1,0,0|2,0,0]=4 18837 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [1,0,0,1,0,0|2,0,0]=4 18838 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [1,0,0,1,0,0|2,0,0]=4 18839 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [1,0,0,1,0,0|2,0,0]=4 18840 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [1,0,0,1,0,0|2,0,0]=4 18841 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [1,0,0,1,0,0|2,0,0]=4 18842 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [1,0,0,1,0,0|2,0,0]=4 18843 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [1,0,0,1,0,0|2,0,0]=4 18844 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [1,0,0,1,0,0|2,0,0]=4 18845 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [1,0,0,1,0,0|2,0,0]=4 18846 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [1,0,0,1,0,0|2,0,0]=4 18847 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [1,0,0,1,0,0|2,0,0]=4 18848 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [1,0,0,1,0,0|2,0,0]=4 18849 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [1,0,0,1,0,0|2,0,0]=4 18850 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [1,0,0,1,0,0|2,0,0]=4 18851 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [1,0,0,1,0,0|2,0,0]=4 18852 B11R1.91 CN(C)CCC1CCCCC1 2230a_100102631434_100012355289 [1,0,0,1,0,0|2,0,0]=4 18853 B11R1.91 CN(C)CCC1CCCCC1 269982a_100102631434_100011273959 [1,0,0,1,0,0|2,0,0]=4 18854 B11R1.91 CN(C)CCC1CCCCC1 270004a_100102631434_100011713444 [1,0,0,1,0,0|2,0,0]=4 18855 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [1,0,0,1,0,0|2,0,0]=4 18856 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [1,0,0,1,0,0|2,0,0]=4 18857 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [1,0,0,1,0,0|2,0,0]=4 18858 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [1,0,0,1,0,0|2,0,0]=4 18859 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [1,0,0,1,0,0|2,0,0]=4 18860 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [1,0,0,1,0,0|2,0,0]=4 18861 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,0,1,0,0|1,0,0]=3 18862 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [1,0,0,1,0,0|2,0,0]=4 18863 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [1,0,0,1,0,0|2,0,0]=4 18864 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [1,0,0,1,0,0|2,0,0]=4 18865 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [1,0,0,1,0,0|1,0,1]=4 18866 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [1,0,0,1,0,0|1,0,1]=4 18867 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [1,0,0,1,0,0|1,0,1]=4 18868 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [1,0,0,1,0,0|1,0,1]=4 18869 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [1,0,0,1,0,0|0,0,2]=4 18870 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,1,0,0|0,0,0]=2 18871 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [1,0,0,1,0,0|1,0,0]=3 18872 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [1,0,0,1,0,0|2,0,0]=4 18873 B11R1.91 [13CH3]C(=O)CCN1CCOCC1 1458a_100000749337_200025704644 [1,0,0,1,0,0|2,0,0]=4 18874 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [1,0,0,1,0,0|1,0,0]=3 18875 B11R1.102 C=C(C)CCOCC1CC1C 34a_100000744939_100000730704 [1,0,0,1,0,0|2,0,0]=4 18876 B11R1.102 C=C(C)CCOCC1CC1C 7a_100000744939_100000730704 [1,0,0,1,0,0|2,0,0]=4 18877 B11R1.102 CC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000685027 [1,0,0,1,0,0|2,0,0]=4 18878 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [1,0,0,1,0,0|1,0,0]=3 18879 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [1,0,0,1,0,0|2,0,0]=4 18880 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [1,0,0,1,0,0|2,0,0]=4 18881 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [1,0,0,1,0,0|2,0,0]=4 18882 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [1,0,0,1,0,0|2,0,0]=4 18883 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [1,0,0,1,0,0|1,0,1]=4 18884 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [1,0,0,1,0,0|1,0,0]=3 18885 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [1,0,0,1,0,0|1,0,0]=3 18886 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [1,0,0,1,0,0|1,0,0]=3 18887 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [1,0,0,1,0,0|1,0,0]=3 18888 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [1,0,0,1,0,0|1,0,0]=3 18889 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [1,0,0,1,0,0|1,0,0]=3 18890 B11R1.161 CC(=O)NCCN1CCC1C 269982a_100000755817_100000189650 [1,0,0,1,0,0|2,0,0]=4 18891 B11R1.161 CC(=O)OCCN1CCC1C 269982a_100000755817_100009814007 [1,0,0,1,0,0|2,0,0]=4 18892 B11R1.161 CC(=O)OCCN1CCC1C 34a_100000755817_100009814007 [1,0,0,1,0,0|2,0,0]=4 18893 B11R1.161 CC1CCN1CCCC(=O)N 269982a_100000755817_100102525003 [1,0,0,1,0,0|2,0,0]=4 18894 B11R1.161 CC1CCN1CCCC(=O)N 34a_100000755817_100102525003 [1,0,0,1,0,0|2,0,0]=4 18895 B11R1.172 C=C(C)CCNC1CCCC1 2230a_100000211070_100000730704 [1,0,0,1,0,0|2,0,0]=4 18896 B11R1.172 C=C(C)CCNC1CCCC1 34a_100000211070_100000730704 [1,0,0,1,0,0|2,0,0]=4 18897 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000210269_100000730704 [1,0,0,1,0,0|2,0,0]=4 18898 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000764851_100000179811 [1,0,0,1,0,0|2,0,0]=4 18899 B11R1.172 C=C(C)CCOC1CCCC1 7a_100000210269_100000730704 [1,0,0,1,0,0|2,0,0]=4 18900 B11R1.172 C=C(C)CCSC1CCCC1 62a_100000730704_100000179811 [1,0,0,1,0,0|2,0,0]=4 18901 B11R1.172 C=C(C)CCSC1CCCC1 62a_100011217020_100000730704 [1,0,0,1,0,0|2,0,0]=4 18902 B11R1.172 C=C(C)CNCC1CCCC1 2230a_100000737975_100000748629 [1,0,0,1,0,0|2,0,0]=4 18903 B11R1.172 C=C(C)CNCC1CCCC1 34a_100000737975_100000748629 [1,0,0,1,0,0|2,0,0]=4 18904 B11R1.172 C=C(C)COCC1CCCC1 34a_100000210245_100000740388 [1,0,0,1,0,0|2,0,0]=4 18905 B11R1.172 C=C(C)COCC1CCCC1 34a_100000742336_100000748629 [1,0,0,1,0,0|2,0,0]=4 18906 B11R1.172 C=C(C)COCC1CCCC1 7a_100000742336_100000748629 [1,0,0,1,0,0|2,0,0]=4 18907 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000740388_100000211660 [1,0,0,1,0,0|2,0,0]=4 18908 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000748629_100000740388 [1,0,0,1,0,0|2,0,0]=4 18909 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [1,0,0,1,0,0|0,0,0]=2 18910 B11R1.172 CC(=O)CCCC1OCCO1 1458a_100000070787_100000042513 [1,0,0,1,0,0|2,0,0]=4 18911 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [1,0,0,1,0,0|1,0,0]=3 18912 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [1,0,0,1,0,0|1,0,0]=3 18913 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [1,0,0,1,0,0|1,0,0]=3 18914 B11R1.172 CC(=O)CCCN1CCSC1 269982a_100011215254_100011215641 [1,0,0,1,0,0|2,0,0]=4 18915 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [1,0,0,1,0,0|1,0,0]=3 18916 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [1,0,0,1,0,0|1,0,0]=3 18917 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [1,0,0,1,0,0|1,0,0]=3 18918 B11R1.172 CC(=O)CCOC1CCOC1 34a_100000759926_100000690089 [1,0,0,1,0,0|2,0,0]=4 18919 B11R1.172 CC(=O)CCOC1CCOC1 7a_100000759926_100000731011 [1,0,0,1,0,0|2,0,0]=4 18920 B11R1.172 CC(=O)CCOC1CCSC1 7a_100011232664_100000053229 [1,0,0,1,0,0|2,0,0]=4 18921 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [1,0,0,1,0,0|1,0,0]=3 18922 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [1,0,0,1,0,0|1,0,0]=3 18923 B11R1.172 CC(=O)CCSC1CCOC1 62a_100000053229_100000690089 [1,0,0,1,0,0|2,0,0]=4 18924 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [1,0,0,1,0,0|1,0,0]=3 18925 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [1,0,0,1,0,0|2,0,0]=4 18926 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [1,0,0,1,0,0|2,0,0]=4 18927 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [1,0,0,1,0,0|2,0,0]=4 18928 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [1,0,0,1,0,0|1,0,0]=3 18929 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [1,0,0,1,0,0|1,0,0]=3 18930 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [1,0,0,1,0,0|1,0,0]=3 18931 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [1,0,0,1,0,0|1,0,0]=3 18932 B11R1.172 CC(=O)NCCN1CCCC1 2230a_100000188435_100000189650 [1,0,0,1,0,0|2,0,0]=4 18933 B11R1.172 CC(=O)NCCN1CCCC1 240690a_100000212299_100015343762 [1,0,0,1,0,0|2,0,0]=4 18934 B11R1.172 CC(=O)NCCN1CCCC1 269982a_100000188435_100000189650 [1,0,0,1,0,0|2,0,0]=4 18935 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [1,0,0,1,0,0|2,0,0]=4 18936 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [1,0,0,1,0,0|2,0,0]=4 18937 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [1,0,0,1,0,0|2,0,0]=4 18938 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [1,0,0,1,0,0|2,0,0]=4 18939 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [1,0,0,1,0,0|2,0,0]=4 18940 B11R1.172 CN(C)CCCC1CCCC1 2230a_100015186261_200000210301 [1,0,0,1,0,0|2,0,0]=4 18941 B11R1.172 CN(C)CCCC1CCCC1 2230a_100102631434_100011713738 [1,0,0,1,0,0|2,0,0]=4 18942 B11R1.172 CN(C)CCCC1CCCC1 269982a_100015186261_200000210301 [1,0,0,1,0,0|2,0,0]=4 18943 B11R1.172 CN(C)CCCC1CCCC1 269982a_100102631434_100011713738 [1,0,0,1,0,0|2,0,0]=4 18944 B11R1.172 CN(C)CCCC1CCCC1 34a_100015186261_200000210301 [1,0,0,1,0,0|2,0,0]=4 18945 B11R1.172 CN([13CH3])CCCC1CCCC1 2230a_100015186261_200025704644 [1,0,0,1,0,0|2,0,0]=4 18946 B11R1.172 CN([13CH3])CCCC1CCCC1 269982a_100015186261_200025704644 [1,0,0,1,0,0|2,0,0]=4 18947 B11R1.172 CN([13CH3])CCCC1CCCC1 34a_100015186261_200025704644 [1,0,0,1,0,0|2,0,0]=4 18948 B11R1.172 NC(=O)CCCN1CCCC1 269982a_100000188435_100102525003 [1,0,0,1,0,0|2,0,0]=4 18949 B11R1.172 NC(=O)CCNC1CCCC1 2230a_100000211070_100000744528 [1,0,0,1,0,0|2,0,0]=4 18950 B11R1.172 NC(=O)CCNC1CCCC1 34a_100000211070_100000731001 [1,0,0,1,0,0|2,0,0]=4 18951 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [1,0,0,1,0,0|2,0,0]=4 18952 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [1,0,0,1,0,0|2,0,0]=4 18953 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [1,0,0,1,0,0|2,0,0]=4 18954 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [1,0,0,1,0,0|2,0,0]=4 18955 B11R1.172 NC(=O)CCSC1CCCC1 62a_100000744528_100000179811 [1,0,0,1,0,0|2,0,0]=4 18956 B11R1.172 NC(=O)CCSC1CCCC1 62a_100011217020_100000744528 [1,0,0,1,0,0|2,0,0]=4 18957 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000711301_100000740388 [1,0,0,1,0,0|2,0,0]=4 18958 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000737975_100000747473 [1,0,0,1,0,0|2,0,0]=4 18959 B11R1.172 NC(=O)CNCC1CCCC1 34a_100000737975_100000187820 [1,0,0,1,0,0|2,0,0]=4 18960 B11R1.172 NC(=O)COCC1CCCC1 34a_100000742336_100000187820 [1,0,0,1,0,0|2,0,0]=4 18961 B11R1.172 NC(=O)COCC1CCCC1 7a_100000742336_100000187820 [1,0,0,1,0,0|2,0,0]=4 18962 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000740388_100000747473 [1,0,0,1,0,0|2,0,0]=4 18963 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000747473_100000740388 [1,0,0,1,0,0|2,0,0]=4 18964 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [1,0,0,1,0,0|1,0,0]=3 18965 B11R1.172 O=C(O)CNCC1CCCO1 269956a_100016091260_100000183445 [1,0,0,1,0,0|2,0,0]=4 18966 B11R1.172 O=C(O)CNCC1CCOC1 269956a_100016091260_100011261433 [1,0,0,1,0,0|2,0,0]=4 18967 B11R1.172 O=C(O)CONC1CCCC1 269956a_100000106656_100000179811 [1,0,0,1,0,0|2,0,0]=4 18968 B11R1.172 O=C([O-])CNCC1CCCC1 34a_100000737975_100020667443 [1,0,0,1,0,0|1,0,1]=4 18969 B11R1.172 O=C([O-])COCC1CCCC1 34a_100000742336_100020667443 [1,0,0,1,0,0|1,0,1]=4 18970 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100000740388_100020667443 [1,0,0,1,0,0|1,0,1]=4 18971 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100020667443_100000740388 [1,0,0,1,0,0|1,0,1]=4 18972 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [1,0,0,1,0,0|1,0,0]=3 18973 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [1,0,0,1,0,0|2,0,0]=4 18974 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [1,0,0,1,0,0|2,0,0]=4 18975 B11R1.174 C=C(C)CCNCC1CCC1 2230a_100000738700_100000730704 [1,0,0,1,0,0|2,0,0]=4 18976 B11R1.174 C=C(C)CCNCC1CCC1 34a_100000738700_100000730704 [1,0,0,1,0,0|2,0,0]=4 18977 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000760304_100000730704 [1,0,0,1,0,0|2,0,0]=4 18978 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000764851_100000763275 [1,0,0,1,0,0|2,0,0]=4 18979 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000730704_100000763275 [1,0,0,1,0,0|2,0,0]=4 18980 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000763275_100000730704 [1,0,0,1,0,0|2,0,0]=4 18981 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [1,0,0,1,0,0|1,0,0]=3 18982 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [1,0,0,1,0,0|1,0,0]=3 18983 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [1,0,0,1,0,0|1,0,0]=3 18984 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [1,0,0,1,0,0|1,0,0]=3 18985 B11R1.174 CC(=O)CCCOC1COC1 34a_100000759063_100009818527 [1,0,0,1,0,0|2,0,0]=4 18986 B11R1.174 CC(=O)CCCOC1COC1 7a_100000759063_100009818527 [1,0,0,1,0,0|2,0,0]=4 18987 B11R1.174 CC(=O)CCCOC1CSC1 7a_100000072292_100011215641 [1,0,0,1,0,0|2,0,0]=4 18988 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [1,0,0,1,0,0|1,0,0]=3 18989 B11R1.174 CC(=O)CCCSC1COC1 62a_100011215641_100009818527 [1,0,0,1,0,0|2,0,0]=4 18990 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [1,0,0,1,0,0|1,0,0]=3 18991 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [1,0,0,1,0,0|1,0,0]=3 18992 B11R1.174 CC(=O)CCOCC1CCO1 34a_100000759926_100000103362 [1,0,0,1,0,0|2,0,0]=4 18993 B11R1.174 CC(=O)CCOCC1CCO1 7a_100000759926_100000103362 [1,0,0,1,0,0|2,0,0]=4 18994 B11R1.174 CC(=O)CCOCC1COC1 34a_100000759926_100010264016 [1,0,0,1,0,0|2,0,0]=4 18995 B11R1.174 CC(=O)CCOCC1COC1 7a_100000759926_100010264016 [1,0,0,1,0,0|2,0,0]=4 18996 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [1,0,0,1,0,0|1,0,0]=3 18997 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [1,0,0,1,0,0|1,0,0]=3 18998 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000053229_100000103362 [1,0,0,1,0,0|2,0,0]=4 18999 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000103362_100000053229 [1,0,0,1,0,0|2,0,0]=4 19000 B11R1.174 CC(=O)CCSCC1COC1 62a_100000053229_100010264016 [1,0,0,1,0,0|2,0,0]=4 19001 B11R1.174 CC(=O)CCSCC1COC1 62a_100010264016_100000053229 [1,0,0,1,0,0|2,0,0]=4 19002 B11R1.174 CC(=O)NCCNC1CCC1 2230a_100000749019_100000189650 [1,0,0,1,0,0|2,0,0]=4 19003 B11R1.174 CC(=O)NCCOC1CCC1 34a_100000158858_100000749161 [1,0,0,1,0,0|2,0,0]=4 19004 B11R1.174 CC(=O)NCCSC1CCC1 62a_100000189650_100000749161 [1,0,0,1,0,0|2,0,0]=4 19005 B11R1.174 CC(=O)OCCCN1CCC1 269982a_100000754969_100000042594 [1,0,0,1,0,0|2,0,0]=4 19006 B11R1.174 CC(=O)OCCNC1CCC1 34a_100000749019_100009814007 [1,0,0,1,0,0|2,0,0]=4 19007 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [1,0,0,1,0,0|2,0,0]=4 19008 B11R1.174 CC(=O)OCCSC1CCC1 62a_100009814007_100000749161 [1,0,0,1,0,0|2,0,0]=4 19009 B11R1.174 CC(=O)OCNCC1CCC1 34a_100000738700_100009813279 [1,0,0,1,0,0|2,0,0]=4 19010 B11R1.174 CC(=O)OCOCC1CCC1 34a_100000760304_100009813279 [1,0,0,1,0,0|2,0,0]=4 19011 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000076356_100000763275 [1,0,0,1,0,0|2,0,0]=4 19012 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000763275_100000076356 [1,0,0,1,0,0|2,0,0]=4 19013 B11R1.174 CC(=O)SCCCN1CCC1 269982a_100000754969_100000038929 [1,0,0,1,0,0|2,0,0]=4 19014 B11R1.174 CS(=O)CCCNC1CCC1 270004a_200000753449_100000241760 [1,0,0,1,0,0|2,0,0]=4 19015 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000739312_100000749161 [1,0,0,1,0,0|2,0,0]=4 19016 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000749019_100102525003 [1,0,0,1,0,0|2,0,0]=4 19017 B11R1.174 NC(=O)CCCOC1CCC1 34a_100000748187_100102525003 [1,0,0,1,0,0|2,0,0]=4 19018 B11R1.174 NC(=O)CCCSC1CCC1 62a_100102525003_100000749161 [1,0,0,1,0,0|2,0,0]=4 19019 B11R1.174 NC(=O)CCNCC1CCC1 2230a_100000738700_100000744528 [1,0,0,1,0,0|2,0,0]=4 19020 B11R1.174 NC(=O)CCNCC1CCC1 269862a_100000740010_100000753134 [1,0,0,1,0,0|2,0,0]=4 19021 B11R1.174 NC(=O)CCNCC1CCC1 34a_100000738700_100000731001 [1,0,0,1,0,0|2,0,0]=4 19022 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000757172_100000763275 [1,0,0,1,0,0|2,0,0]=4 19023 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000760304_100000731001 [1,0,0,1,0,0|2,0,0]=4 19024 B11R1.174 NC(=O)CCOCC1CCC1 7a_100000757172_100000763275 [1,0,0,1,0,0|2,0,0]=4 19025 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000744528_100000763275 [1,0,0,1,0,0|2,0,0]=4 19026 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000763275_100000744528 [1,0,0,1,0,0|2,0,0]=4 19027 B11R1.174 O=C(O)CONCC1CCC1 269956a_100000106656_100000763275 [1,0,0,1,0,0|2,0,0]=4 19028 B11R1.176 C=C(C)CCNCCC1CC1 34a_100000764129_100000730704 [1,0,0,1,0,0|2,0,0]=4 19029 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000754188_100000730704 [1,0,0,1,0,0|2,0,0]=4 19030 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000764851_100000694398 [1,0,0,1,0,0|2,0,0]=4 19031 B11R1.176 C=C(C)CCOCCC1CC1 7a_100000754188_100000730704 [1,0,0,1,0,0|2,0,0]=4 19032 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000730704_100000764125 [1,0,0,1,0,0|2,0,0]=4 19033 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000764125_100000730704 [1,0,0,1,0,0|2,0,0]=4 19034 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [1,0,0,1,0,0|1,0,0]=3 19035 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [1,0,0,1,0,0|1,0,0]=3 19036 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [1,0,0,1,0,0|1,0,0]=3 19037 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [1,0,0,1,0,0|1,0,0]=3 19038 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [1,0,0,1,0,0|1,0,0]=3 19039 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [1,0,0,1,0,0|1,0,0]=3 19040 B11R1.176 CC(=O)CCCOCC1CO1 34a_100000759063_102125554688 [1,0,0,1,0,0|2,0,0]=4 19041 B11R1.176 CC(=O)CCCOCC1CO1 7a_100000759063_102125554688 [1,0,0,1,0,0|2,0,0]=4 19042 B11R1.176 CC(=O)CCCOCC1CS1 7a_100000759063_100000031435 [1,0,0,1,0,0|2,0,0]=4 19043 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000685027 [1,0,0,1,0,0|2,0,0]=4 19044 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 7a_100000759063_100000745022 [1,0,0,1,0,0|2,0,0]=4 19045 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [1,0,0,1,0,0|1,0,0]=3 19046 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [1,0,0,1,0,0|1,0,0]=3 19047 B11R1.176 CC(=O)CCCSCC1CO1 62a_100011215641_102125554688 [1,0,0,1,0,0|2,0,0]=4 19048 B11R1.176 CC(=O)CCCSCC1CO1 62a_102125554688_100011215641 [1,0,0,1,0,0|2,0,0]=4 19049 B11R1.176 CC(=O)CCCSCC1CS1 62a_100000031435_100011215641 [1,0,0,1,0,0|2,0,0]=4 19050 B11R1.176 CC(=O)CCCSCC1CS1 62a_100011215641_100000031435 [1,0,0,1,0,0|2,0,0]=4 19051 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011215641 [1,0,0,1,0,0|2,0,0]=4 19052 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100011215641_100000745022 [1,0,0,1,0,0|2,0,0]=4 19053 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [1,0,0,1,0,0|1,0,0]=3 19054 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [1,0,0,1,0,0|1,0,0]=3 19055 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [1,0,0,1,0,0|1,0,0]=3 19056 B11R1.176 CC(=O)CCOCCC1CO1 34a_100000759926_100000732470 [1,0,0,1,0,0|2,0,0]=4 19057 B11R1.176 CC(=O)CCOCCC1CO1 7a_100000759926_100000732470 [1,0,0,1,0,0|2,0,0]=4 19058 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [1,0,0,1,0,0|1,0,0]=3 19059 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [1,0,0,1,0,0|1,0,0]=3 19060 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000053229_100000732470 [1,0,0,1,0,0|2,0,0]=4 19061 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000732470_100000053229 [1,0,0,1,0,0|2,0,0]=4 19062 B11R1.176 CC(=O)COCCCC1CO1 34a_100000211253_100000733510 [1,0,0,1,0,0|2,0,0]=4 19063 B11R1.176 CC(=O)NCCCNC1CC1 34a_100000736810_100000211595 [1,0,0,1,0,0|2,0,0]=4 19064 B11R1.176 CC(=O)NCCCOC1CC1 34a_100000752032_100000211595 [1,0,0,1,0,0|2,0,0]=4 19065 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000209853_100000742324 [1,0,0,1,0,0|2,0,0]=4 19066 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000735609_100000189650 [1,0,0,1,0,0|2,0,0]=4 19067 B11R1.176 CC(=O)NCCNCC1CC1 269862a_100000209853_100000741477 [1,0,0,1,0,0|2,0,0]=4 19068 B11R1.176 CC(=O)NCCOCC1CC1 34a_100000158858_100000742324 [1,0,0,1,0,0|2,0,0]=4 19069 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000189650_100000742324 [1,0,0,1,0,0|2,0,0]=4 19070 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000756562_100000189650 [1,0,0,1,0,0|2,0,0]=4 19071 B11R1.176 CC(=O)OCCCNC1CC1 34a_100000212008_100000042594 [1,0,0,1,0,0|2,0,0]=4 19072 B11R1.176 CC(=O)OCCCSC1CC1 62a_100000042594_100000211595 [1,0,0,1,0,0|2,0,0]=4 19073 B11R1.176 CC(=O)OCCNCC1CC1 34a_100000735609_100009814007 [1,0,0,1,0,0|2,0,0]=4 19074 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [1,0,0,1,0,0|2,0,0]=4 19075 B11R1.176 CC(=O)OCCSCC1CC1 62a_100000756562_100009814007 [1,0,0,1,0,0|2,0,0]=4 19076 B11R1.176 CC(=O)OCCSCC1CC1 62a_100009814007_100000742324 [1,0,0,1,0,0|2,0,0]=4 19077 B11R1.176 CC(=O)OCNCCC1CC1 34a_100000764129_100009813279 [1,0,0,1,0,0|2,0,0]=4 19078 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [1,0,0,1,0,0|2,0,0]=4 19079 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000076356_100000764125 [1,0,0,1,0,0|2,0,0]=4 19080 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000764125_100000076356 [1,0,0,1,0,0|2,0,0]=4 19081 B11R1.176 CC(=O)SCCCNC1CC1 34a_100000212008_100000038929 [1,0,0,1,0,0|2,0,0]=4 19082 B11R1.176 CC(=O)SCCCSC1CC1 62a_100000038929_100000211595 [1,0,0,1,0,0|2,0,0]=4 19083 B11R1.176 CC(=O)SCCNCC1CC1 269862a_100020647217_100000741477 [1,0,0,1,0,0|2,0,0]=4 19084 B11R1.176 CS(=O)CCCNCC1CC1 2230a_200000753449_100000742324 [1,0,0,1,0,0|2,0,0]=4 19085 B11R1.176 NC(=O)CCCCNC1CC1 34a_100000696515_100000211595 [1,0,0,1,0,0|2,0,0]=4 19086 B11R1.176 NC(=O)CCCCOC1CC1 34a_100012022536_100000211595 [1,0,0,1,0,0|2,0,0]=4 19087 B11R1.176 NC(=O)CCCNCC1CC1 269862a_100000739312_100000741477 [1,0,0,1,0,0|2,0,0]=4 19088 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000735609_100102525003 [1,0,0,1,0,0|2,0,0]=4 19089 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000739312_100000742324 [1,0,0,1,0,0|2,0,0]=4 19090 B11R1.176 NC(=O)CCCOCC1CC1 34a_100000211283_100102525003 [1,0,0,1,0,0|2,0,0]=4 19091 B11R1.176 NC(=O)CCCSCC1CC1 62a_100000756562_100102525003 [1,0,0,1,0,0|2,0,0]=4 19092 B11R1.176 NC(=O)CCCSCC1CC1 62a_100102525003_100000742324 [1,0,0,1,0,0|2,0,0]=4 19093 B11R1.176 NC(=O)CCNCCC1CC1 34a_100000764129_100000731001 [1,0,0,1,0,0|2,0,0]=4 19094 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [1,0,0,1,0,0|2,0,0]=4 19095 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [1,0,0,1,0,0|2,0,0]=4 19096 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [1,0,0,1,0,0|2,0,0]=4 19097 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [1,0,0,1,0,0|2,0,0]=4 19098 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000744528_100000764125 [1,0,0,1,0,0|2,0,0]=4 19099 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000764125_100000744528 [1,0,0,1,0,0|2,0,0]=4 19100 B11R1.176 O=C(O)CNCCCC1CO1 269956a_100016091260_100000733510 [1,0,0,1,0,0|2,0,0]=4 19101 B11R1.176 O=C(O)COCCNC1CC1 269956a_100000700818_100000211595 [1,0,0,1,0,0|2,0,0]=4 19102 B11R1.176 O=C(O)CONCCC1CC1 269956a_100000106656_100000694398 [1,0,0,1,0,0|2,0,0]=4 19103 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 34a_100012242843_200025704644 [1,0,0,1,0,0|2,0,0]=4 19104 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 7a_100012242843_200025704644 [1,0,0,1,0,0|2,0,0]=4 19105 B11R1.193 CCCC1CCCC1N(C)C 270004a_100102631434_100000723119 [1,0,0,1,0,0|2,0,0]=4 19106 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [1,0,0,1,0,0|2,0,0]=4 19107 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [1,0,0,1,0,0|1,0,0]=3 19108 B11R1.193 CCCN1CCSC1C(=O)O 269956a_100000035718_100000210207 [1,0,0,1,0,0|2,0,0]=4 19109 B11R1.193 CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210207 [1,0,0,1,0,0|2,0,0]=4 19110 B11R1.193 COCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000766300 [1,0,0,1,0,0|2,0,0]=4 19111 B11R1.193 COC[C@@H]1CCCN1C(=O)C 11a_100020646714_100015343762 [1,0,0,1,0,0|2,0,0]=4 19112 B11R1.193 COC[C@@H]1CCCN1C(=O)C 1626a_100020646714_100015343762 [1,0,0,1,0,0|2,0,0]=4 19113 B11R1.193 COC[C@@H]1CCCN1C(=O)C 240690a_100020646714_100015343762 [1,0,0,1,0,0|2,0,0]=4 19114 B11R1.193 COC[C@H]1CCCN1C(=O)C 34a_100012242843_200000210301 [1,0,0,1,0,0|2,0,0]=4 19115 B11R1.193 COC[C@H]1CCCN1C(=O)C 7a_100012242843_200000210301 [1,0,0,1,0,0|2,0,0]=4 19116 B11R1.193 CSCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218213 [1,0,0,1,0,0|2,0,0]=4 19117 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 269956a_100000743916_100011217306 [1,0,0,1,0,0|2,0,0]=4 19118 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [1,0,0,1,0,0|2,0,0]=4 19119 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [1,0,0,1,0,0|1,0,0]=3 19120 B11R1.204 CCOCN1CCC1C(=O)O 269956a_100000021838_100000739092 [1,0,0,1,0,0|2,0,0]=4 19121 B11R1.204 COCCN1CCC1C(=O)O 269956a_100000021838_100000233755 [1,0,0,1,0,0|2,0,0]=4 19122 B11R1.204 CSCCN1CCC1C(=O)O 269956a_100000021838_100000212216 [1,0,0,1,0,0|2,0,0]=4 19123 B11R1.204 O=C(O)C1CCN1CCCF 269956a_100000021838_100011934791 [1,0,0,1,0,0|2,0,0]=4 19124 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [1,0,0,1,0,0|2,0,0]=4 19125 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [1,0,0,1,0,0|0,0,2]=4 19126 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [1,0,0,1,0,0|1,0,0]=3 19127 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [1,0,0,1,0,0|1,0,0]=3 19128 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [1,0,0,1,0,0|1,0,0]=3 19129 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [1,0,0,1,0,0|1,0,0]=3 19130 B11R1.706 CN(C)C1CCCCCCC1 270004a_100102631434_100000210524 [1,0,0,1,0,0|2,0,0]=4 19131 B11R1.742 C=C(C)CN1CCCCCC1 2230a_100000185865_100000748629 [1,0,0,1,0,0|2,0,0]=4 19132 B11R1.742 C=C(C)CN1CCCCCC1 269982a_100000185865_100000748629 [1,0,0,1,0,0|2,0,0]=4 19133 B11R1.742 C=C(C)CN1CCCCCC1 34a_100000185865_100000748629 [1,0,0,1,0,0|2,0,0]=4 19134 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [1,0,0,1,0,0|0,0,2]=4 19135 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [1,0,0,1,0,0|0,0,0]=2 19136 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [1,0,0,1,0,0|0,0,0]=2 19137 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [1,0,0,1,0,0|1,0,0]=3 19138 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [1,0,0,1,0,0|1,0,0]=3 19139 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [1,0,0,1,0,0|1,0,0]=3 19140 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [1,0,0,1,0,0|1,0,0]=3 19141 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [1,0,0,1,0,0|1,0,0]=3 19142 B11R1.742 CN(C)CC1CCCCCC1 2230a_100102631434_200000696569 [1,0,0,1,0,0|2,0,0]=4 19143 B11R1.742 CN(C)CC1CCCCCC1 269982a_100102631434_200000696569 [1,0,0,1,0,0|2,0,0]=4 19144 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [1,0,0,1,0,0|2,0,0]=4 19145 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [1,0,0,1,0,0|2,0,0]=4 19146 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [1,0,0,1,0,0|2,0,0]=4 19147 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [1,0,0,1,0,0|1,0,1]=4 19148 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [1,0,0,1,0,0|1,0,1]=4 19149 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [1,0,0,1,0,0|0,0,2]=4 19150 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [1,0,0,1,0,0|0,0,0]=2 19151 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [1,0,0,1,0,0|1,0,0]=3 19152 B11R1.4 C/C=C/CCOC1CCCC1 34a_100016278192_100000179811 [1,0,0,1,0,0|2,0,0]=4 19153 B11R1.4 C/C=C/CNCC1CCCC1 34a_100000737975_100102629194 [1,0,0,1,0,0|2,0,0]=4 19154 B11R1.4 C/C=C/COCC1CCCC1 34a_100000742336_100102629194 [1,0,0,1,0,0|2,0,0]=4 19155 B11R1.4 C/C=C/COCC1CCCC1 34a_100016270725_100000740388 [1,0,0,1,0,0|2,0,0]=4 19156 B11R1.4 C/C=C/COCC1CCCC1 7a_100000742336_100102629194 [1,0,0,1,0,0|2,0,0]=4 19157 B11R1.4 C/C=C/CSCC1CCCC1 62a_100000740388_100102629194 [1,0,0,1,0,0|2,0,0]=4 19158 B11R1.4 C/C=C/CSCC1CCCC1 62a_100102629194_100000740388 [1,0,0,1,0,0|2,0,0]=4 19159 B11R1.4 CC=CCNCC1CCCC1 2230a_100000737975_100000070051 [1,0,0,1,0,0|2,0,0]=4 19160 B11R1.4 CC=CCNCC1CCCC1 34a_100000737975_100000070051 [1,0,0,1,0,0|2,0,0]=4 19161 B11R1.4 CC=CCOCC1CCCC1 34a_100000742336_100000070051 [1,0,0,1,0,0|2,0,0]=4 19162 B11R1.4 CC=CCOCC1CCCC1 7a_100000742336_100000070051 [1,0,0,1,0,0|2,0,0]=4 19163 B11R1.4 CC=CCSCC1CCCC1 62a_100000070051_100000740388 [1,0,0,1,0,0|2,0,0]=4 19164 B11R1.4 CC=CCSCC1CCCC1 62a_100000740388_100000070051 [1,0,0,1,0,0|2,0,0]=4 19165 B11R1.4 CCCCCCN1CC=CC1 269982a_100015195280_100000210757 [1,0,0,1,0,0|2,0,0]=4 19166 B11R1.4 CCCCCNC1CC=CC1 2230a_100015188752_100000210326 [1,0,0,1,0,0|2,0,0]=4 19167 B11R1.4 CCCCCNC1CCOC1 2230a_100000209983_100000731011 [1,0,0,1,0,0|1,0,1]=4 19168 B11R1.4 CCCCCNC1CCOC1 270004a_100000209983_100000752484 [1,0,0,1,0,0|1,0,1]=4 19169 B11R1.4 CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210326 [1,0,0,1,0,0|1,0,1]=4 19170 B11R1.4 CCCCCN[C@H]1CCOC1 2230a_100015188467_100000210326 [1,0,0,1,0,0|1,0,1]=4 19171 B11R1.4 CCCCCN[C@H]1CCOC1 34a_100015188467_100000718602 [1,0,0,1,0,0|1,0,1]=4 19172 B11R1.4 CCCCCOC1CCOC1 34a_100000210253_100000690089 [1,0,0,1,0,0|1,0,1]=4 19173 B11R1.4 CCCCCOC1CCOC1 7a_100000210253_100000731011 [1,0,0,1,0,0|1,0,1]=4 19174 B11R1.4 CCCCCO[C@H]1CCOC1 34a_100000717292_100000718602 [1,0,0,1,0,0|1,0,1]=4 19175 B11R1.4 CCCCCSC1CCOC1 62a_100000210326_100000690089 [1,0,0,1,0,0|1,0,1]=4 19176 B11R1.4 CCCCNCC1CCOC1 2230a_100000102301_100000702531 [1,0,0,1,0,0|1,0,1]=4 19177 B11R1.4 CCCCNCC1CCOC1 2230a_100000737293_100000210211 [1,0,0,1,0,0|1,0,1]=4 19178 B11R1.4 CCCCNCC1CCOC1 34a_100000737293_100000210210 [1,0,0,1,0,0|1,0,1]=4 19179 B11R1.4 CCCCNCC1CCOC1 7a_106832991798_100000702531 [1,0,0,1,0,0|1,0,1]=4 19180 B11R1.4 CCCCOCC1CC=CC1 34a_100000688395_100000210210 [1,0,0,1,0,0|2,0,0]=4 19181 B11R1.4 CCCCOCC1CCOC1 34a_100000210227_100011261433 [1,0,0,1,0,0|1,0,1]=4 19182 B11R1.4 CCCCOCC1CCOC1 34a_100000740260_100000210210 [1,0,0,1,0,0|1,0,1]=4 19183 B11R1.4 CCCCOCC1CCOC1 7a_100000210227_100000702531 [1,0,0,1,0,0|1,0,1]=4 19184 B11R1.4 CCCCSCC1CCOC1 62a_100000210211_100000702531 [1,0,0,1,0,0|1,0,1]=4 19185 B11R1.4 CCCCSCC1CCOC1 62a_100000702531_100000210210 [1,0,0,1,0,0|1,0,1]=4 19186 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [1,0,0,1,0,0|1,0,1]=4 19187 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [1,0,0,1,0,0|2,0,0]=4 19188 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [1,0,0,1,0,0|2,0,0]=4 19189 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [1,0,0,1,0,0|2,0,0]=4 19190 B11R1.4 CCOCCCC1CCCC1 34a_100011215328_100000210202 [1,0,0,1,0,0|2,0,0]=4 19191 B11R1.4 CCOCCCC1CCCC1 34a_100121572206_100011713738 [1,0,0,1,0,0|2,0,0]=4 19192 B11R1.4 CCOCCCC1CCCC1 7a_100011215328_100000210202 [1,0,0,1,0,0|2,0,0]=4 19193 B11R1.4 CCSCCCC1CCCC1 62a_100000210202_100011713738 [1,0,0,1,0,0|2,0,0]=4 19194 B11R1.4 CCSCCCC1CCCC1 62a_100011713738_100000210202 [1,0,0,1,0,0|2,0,0]=4 19195 B11R1.4 COCCCCN1CCCC1 2230a_100000188435_100000730899 [1,0,0,1,0,0|1,0,1]=4 19196 B11R1.4 COCCCCN1CCCC1 269982a_100000188435_100000730899 [1,0,0,1,0,0|1,0,1]=4 19197 B11R1.4 COCCCNC1CCCC1 2230a_100000211070_100000740836 [1,0,0,1,0,0|1,0,1]=4 19198 B11R1.4 COCCCNC1CCCC1 270004a_100150723488_100000210133 [1,0,0,1,0,0|1,0,1]=4 19199 B11R1.4 COCCCNC1CCCC1 34a_100000211070_100000740836 [1,0,0,1,0,0|1,0,1]=4 19200 B11R1.4 COCCCNC1CCCC1 34a_100150723488_100000179811 [1,0,0,1,0,0|1,0,1]=4 19201 B11R1.4 COCCCOC1CCCC1 34a_100000210269_100000740836 [1,0,0,1,0,0|1,0,1]=4 19202 B11R1.4 COCCCOC1CCCC1 34a_100000740835_100000179811 [1,0,0,1,0,0|1,0,1]=4 19203 B11R1.4 COCCCOC1CCCC1 7a_100000210269_100000740836 [1,0,0,1,0,0|1,0,1]=4 19204 B11R1.4 COCCCSC1CCCC1 62a_100000709357_100000179811 [1,0,0,1,0,0|1,0,1]=4 19205 B11R1.4 COCCCSC1CCCC1 62a_100011217020_100000709357 [1,0,0,1,0,0|1,0,1]=4 19206 B11R1.4 COCCNCC1CCCC1 2230a_100000209980_100000740388 [1,0,0,1,0,0|1,0,1]=4 19207 B11R1.4 COCCNCC1CCCC1 2230a_100000737975_100011201679 [1,0,0,1,0,0|1,0,1]=4 19208 B11R1.4 COCCNCC1CCCC1 269862a_100000209980_100000746403 [1,0,0,1,0,0|1,0,1]=4 19209 B11R1.4 COCCNCC1CCCC1 34a_100000737975_100011201679 [1,0,0,1,0,0|1,0,1]=4 19210 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [1,0,0,1,0,0|1,0,1]=4 19211 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [1,0,0,1,0,0|1,0,1]=4 19212 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [1,0,0,1,0,0|1,0,1]=4 19213 B11R1.4 COCCSCC1CCCC1 62a_100000233755_100000740388 [1,0,0,1,0,0|1,0,1]=4 19214 B11R1.4 COCCSCC1CCCC1 62a_100000740388_100000233755 [1,0,0,1,0,0|1,0,1]=4 19215 B11R1.4 COCNCCC1CCCC1 2230a_100000739158_100000766300 [1,0,0,1,0,0|1,0,1]=4 19216 B11R1.4 COCSCCC1CCCC1 62a_100000760354_100000766300 [1,0,0,1,0,0|1,0,1]=4 19217 B11R1.4 COCSCCC1CCCC1 62a_100000766300_100000760354 [1,0,0,1,0,0|1,0,1]=4 19218 B11R1.17 C/C=C/CN1CCCCC1C 269982a_100000211376_100102629194 [1,0,0,1,0,0|2,0,0]=4 19219 B11R1.17 C/C=C/CN1CCCCC1C 34a_100000211376_100102629194 [1,0,0,1,0,0|2,0,0]=4 19220 B11R1.17 CC1CCCCN1CCO[13CH3] 34a_100011305533_200025704644 [1,0,0,1,0,0|1,0,1]=4 19221 B11R1.17 CC=CCN1CCCCC1C 2230a_100000211376_100000070051 [1,0,0,1,0,0|2,0,0]=4 19222 B11R1.17 CC=CCN1CCCCC1C 34a_100000211376_100000070051 [1,0,0,1,0,0|2,0,0]=4 19223 B11R1.17 COCCC1CCCCN1C 2230a_100015186528_200000210301 [1,0,0,1,0,0|1,0,1]=4 19224 B11R1.17 COCCC1CCCCN1C 269982a_100015186528_200000210301 [1,0,0,1,0,0|1,0,1]=4 19225 B11R1.17 COCCC1CCCCN1C 34a_100015186528_200000210301 [1,0,0,1,0,0|1,0,1]=4 19226 B11R1.17 COCCC1CCCCN1C 34a_100138415774_100000211948 [1,0,0,1,0,0|1,0,1]=4 19227 B11R1.17 COCCC1CCCCN1[13CH3] 2230a_100015186528_200025704644 [1,0,0,1,0,0|1,0,1]=4 19228 B11R1.17 COCCC1CCCCN1[13CH3] 269982a_100015186528_200025704644 [1,0,0,1,0,0|1,0,1]=4 19229 B11R1.17 COCCC1CCCCN1[13CH3] 34a_100015186528_200025704644 [1,0,0,1,0,0|1,0,1]=4 19230 B11R1.17 COCCN1CCCCC1C 2230a_100000211376_100011201679 [1,0,0,1,0,0|1,0,1]=4 19231 B11R1.17 COCCN1CCCCC1C 269982a_100000211376_100000233755 [1,0,0,1,0,0|1,0,1]=4 19232 B11R1.17 COCCN1CCCCC1C 34a_100000211376_100011201679 [1,0,0,1,0,0|1,0,1]=4 19233 B11R1.17 COCCN1CCCCC1C 34a_100011305533_200000210301 [1,0,0,1,0,0|1,0,1]=4 19234 B11R1.17 COCNC1CCCCC1C 2230a_100000211402_100000766300 [1,0,0,1,0,0|1,0,1]=4 19235 B11R1.18 C/C=C/CN1CCCC1CC 269982a_100000754278_100102629194 [1,0,0,1,0,0|2,0,0]=4 19236 B11R1.18 C/C=C/CN1CCCC1CC 34a_100000754278_100102629194 [1,0,0,1,0,0|2,0,0]=4 19237 B11R1.18 CC=CCN1CCCC1CC 2230a_100000754278_100000070051 [1,0,0,1,0,0|2,0,0]=4 19238 B11R1.18 CC=CCN1CCCC1CC 34a_100000754278_100000070051 [1,0,0,1,0,0|2,0,0]=4 19239 B11R1.18 CCC1CCCN1CCOC 2230a_100000754278_100011201679 [1,0,0,1,0,0|1,0,1]=4 19240 B11R1.18 CCC1CCCN1CCOC 269982a_100000754278_100000233755 [1,0,0,1,0,0|1,0,1]=4 19241 B11R1.18 CCC1CCCN1CCOC 34a_100000754278_100011201679 [1,0,0,1,0,0|1,0,1]=4 19242 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [1,0,0,1,0,0|1,0,1]=4 19243 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [1,0,0,1,0,0|1,0,1]=4 19244 B11R1.28 C/C=C/CNC1CCCCC1 34a_100000182618_100102629194 [1,0,0,1,0,0|2,0,0]=4 19245 B11R1.28 C/C=C/COC1CCCCC1 34a_100000210231_100102629194 [1,0,0,1,0,0|2,0,0]=4 19246 B11R1.28 C/C=C/COC1CCCCC1 34a_100016270725_100000210327 [1,0,0,1,0,0|2,0,0]=4 19247 B11R1.28 C/C=C/COC1CCCCC1 7a_100000210231_100102629194 [1,0,0,1,0,0|2,0,0]=4 19248 B11R1.28 C/C=C/CSC1CCCCC1 62a_100000210327_100102629194 [1,0,0,1,0,0|2,0,0]=4 19249 B11R1.28 C/C=C/CSC1CCCCC1 62a_100102629194_100000210327 [1,0,0,1,0,0|2,0,0]=4 19250 B11R1.28 CC=CCNC1CCCCC1 2230a_100000182618_100000070051 [1,0,0,1,0,0|2,0,0]=4 19251 B11R1.28 CC=CCNC1CCCCC1 34a_100000182618_100000070051 [1,0,0,1,0,0|2,0,0]=4 19252 B11R1.28 CC=CCOC1CCCCC1 34a_100000210231_100000070051 [1,0,0,1,0,0|2,0,0]=4 19253 B11R1.28 CC=CCOC1CCCCC1 7a_100000210231_100000070051 [1,0,0,1,0,0|2,0,0]=4 19254 B11R1.28 CC=CCSC1CCCCC1 62a_100000070051_100000210327 [1,0,0,1,0,0|2,0,0]=4 19255 B11R1.28 CC=CCSC1CCCCC1 62a_100000210327_100000070051 [1,0,0,1,0,0|2,0,0]=4 19256 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [1,0,0,1,0,0|2,0,0]=4 19257 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [1,0,0,1,0,0|2,0,0]=4 19258 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [1,0,0,1,0,0|2,0,0]=4 19259 B11R1.28 CCCCCN1CCCOC1 2230a_100000131196_100000210326 [1,0,0,1,0,0|1,0,1]=4 19260 B11R1.28 CCCCCN1CCCOC1 269982a_100000131196_100000210215 [1,0,0,1,0,0|1,0,1]=4 19261 B11R1.28 CCCCCN1CCCOC1 34a_100000131196_100000718602 [1,0,0,1,0,0|1,0,1]=4 19262 B11R1.28 CCCCNC1CCCOC1 2230a_100000719290_100000210211 [1,0,0,1,0,0|1,0,1]=4 19263 B11R1.28 CCCCNC1CCCOC1 270004a_100000102301_100000753404 [1,0,0,1,0,0|1,0,1]=4 19264 B11R1.28 CCCCNC1CCCOC1 34a_100000719290_100000210210 [1,0,0,1,0,0|1,0,1]=4 19265 B11R1.28 CCCCNC1CCCOC1 7a_106832991798_100000693364 [1,0,0,1,0,0|1,0,1]=4 19266 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [1,0,0,1,0,0|2,0,0]=4 19267 B11R1.28 CCCCOC1CCCOC1 34a_100000210227_100000693364 [1,0,0,1,0,0|1,0,1]=4 19268 B11R1.28 CCCCOC1CCCOC1 34a_100000754041_100000210210 [1,0,0,1,0,0|1,0,1]=4 19269 B11R1.28 CCCCOC1CCCOC1 7a_100000210227_100000693364 [1,0,0,1,0,0|1,0,1]=4 19270 B11R1.28 CCCCSC1CCCOC1 62a_100000210211_100000693364 [1,0,0,1,0,0|1,0,1]=4 19271 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [1,0,0,1,0,0|2,0,0]=4 19272 B11R1.28 CCCNCC1CCCOC1 2230a_100000720124_100000210303 [1,0,0,1,0,0|1,0,1]=4 19273 B11R1.28 CCCNCC1CCCOC1 34a_100000720124_100000210303 [1,0,0,1,0,0|1,0,1]=4 19274 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [1,0,0,1,0,0|2,0,0]=4 19275 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [1,0,0,1,0,0|1,0,1]=4 19276 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [1,0,0,1,0,0|1,0,1]=4 19277 B11R1.28 CCCSCC1CCCOC1 62a_100000210303_100000741521 [1,0,0,1,0,0|1,0,1]=4 19278 B11R1.28 CCCSCC1CCCOC1 62a_100000741521_100000210303 [1,0,0,1,0,0|1,0,1]=4 19279 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [1,0,0,1,0,0|2,0,0]=4 19280 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [1,0,0,1,0,0|2,0,0]=4 19281 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [1,0,0,1,0,0|2,0,0]=4 19282 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [1,0,0,1,0,0|2,0,0]=4 19283 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [1,0,0,1,0,0|2,0,0]=4 19284 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [1,0,0,1,0,0|2,0,0]=4 19285 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [1,0,0,1,0,0|2,0,0]=4 19286 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [1,0,0,1,0,0|2,0,0]=4 19287 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [1,0,0,1,0,0|2,0,0]=4 19288 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [1,0,0,1,0,0|1,0,1]=4 19289 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [1,0,0,1,0,0|1,0,1]=4 19290 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [1,0,0,1,0,0|1,0,1]=4 19291 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [1,0,0,1,0,0|1,0,1]=4 19292 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [1,0,0,1,0,0|1,0,1]=4 19293 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [1,0,0,1,0,0|0,0,1]=3 19294 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [1,0,0,1,0,0|0,0,1]=3 19295 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [1,0,0,1,0,0|0,0,1]=3 19296 B11R1.28 COCCCC1CCCCN1 34a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 19297 B11R1.28 COCCCC1CCCNC1 34a_100150707839_200000210301 [1,0,0,1,0,0|1,0,1]=4 19298 B11R1.28 COCCCC1CCNCC1 34a_100016988962_200000210301 [1,0,0,1,0,0|1,0,1]=4 19299 B11R1.28 COCCCN1CCCCC1 34a_100000212458_200000210301 [1,0,0,1,0,0|1,0,1]=4 19300 B11R1.28 COCCCN1CCCCC1 34a_100138415774_100000690320 [1,0,0,1,0,0|1,0,1]=4 19301 B11R1.28 COCCNC1CCCCC1 2230a_100000182618_100011201679 [1,0,0,1,0,0|1,0,1]=4 19302 B11R1.28 COCCNC1CCCCC1 270004a_100000209980_100000210434 [1,0,0,1,0,0|1,0,1]=4 19303 B11R1.28 COCCNC1CCCCC1 34a_100000182618_100011201679 [1,0,0,1,0,0|1,0,1]=4 19304 B11R1.28 COCCNC1CCCCC1 34a_100000200466_200000210301 [1,0,0,1,0,0|1,0,1]=4 19305 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [1,0,0,1,0,0|1,0,1]=4 19306 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [1,0,0,1,0,0|1,0,1]=4 19307 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [1,0,0,1,0,0|1,0,1]=4 19308 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [1,0,0,1,0,0|1,0,1]=4 19309 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [1,0,0,1,0,0|1,0,1]=4 19310 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [1,0,0,1,0,0|1,0,1]=4 19311 B11R1.28 COCCSC1CCCCC1 62a_100000210327_100000233755 [1,0,0,1,0,0|1,0,1]=4 19312 B11R1.28 COCCSC1CCCCC1 62a_100000233755_100000210327 [1,0,0,1,0,0|1,0,1]=4 19313 B11R1.28 COCNCC1CCCCC1 2230a_100000210473_100000766300 [1,0,0,1,0,0|1,0,1]=4 19314 B11R1.28 COCSCC1CCCCC1 62a_100000211423_100000766300 [1,0,0,1,0,0|1,0,1]=4 19315 B11R1.28 COCSCC1CCCCC1 62a_100000766300_100000211423 [1,0,0,1,0,0|1,0,1]=4 19316 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [1,0,0,1,0,0|0,1,1]=4 19317 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [1,0,0,1,0,0|0,1,1]=4 19318 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [1,0,0,1,0,0|1,0,1]=4 19319 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [1,0,0,1,0,0|1,0,1]=4 19320 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [1,0,0,1,0,0|0,0,1]=3 19321 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [1,0,0,1,0,0|0,0,1]=3 19322 B11R1.28 [13CH3]OCCCC1CCCCN1 34a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 19323 B11R1.28 [13CH3]OCCCC1CCCNC1 34a_100150707839_200025704644 [1,0,0,1,0,0|1,0,1]=4 19324 B11R1.28 [13CH3]OCCCC1CCNCC1 34a_100016988962_200025704644 [1,0,0,1,0,0|1,0,1]=4 19325 B11R1.28 [13CH3]OCCCN1CCCCC1 34a_100000212458_200025704644 [1,0,0,1,0,0|1,0,1]=4 19326 B11R1.28 [13CH3]OCCNC1CCCCC1 34a_100000200466_200025704644 [1,0,0,1,0,0|1,0,1]=4 19327 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [1,0,0,1,0,0|1,0,1]=4 19328 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [1,0,0,1,0,0|1,0,1]=4 19329 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [1,0,0,1,0,0|0,1,1]=4 19330 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [1,0,0,1,0,0|0,1,1]=4 19331 B11R1.41 CCC1CCCCN1COC 2230a_100000210034_100000766300 [1,0,0,1,0,0|1,0,1]=4 19332 B11R1.41 CCC1CCCCN1COC 269982a_100000210034_100000766300 [1,0,0,1,0,0|1,0,1]=4 19333 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [1,0,0,1,0,0|1,0,1]=4 19334 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [1,0,0,1,0,0|1,0,1]=4 19335 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [1,0,0,1,0,0|0,0,1]=3 19336 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [1,0,0,1,0,0|0,0,1]=3 19337 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [1,0,0,1,0,0|0,0,1]=3 19338 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [1,0,0,1,0,0|0,0,1]=3 19339 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [1,0,0,1,0,0|2,0,0]=4 19340 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [1,0,0,1,0,0|2,0,0]=4 19341 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [1,0,0,1,0,0|2,0,0]=4 19342 B11R1.41 CCN1CCCCC1COC 2230a_100015184032_100000210202 [1,0,0,1,0,0|1,0,1]=4 19343 B11R1.41 CCN1CCCCC1COC 269982a_100015184032_100000204670 [1,0,0,1,0,0|1,0,1]=4 19344 B11R1.41 CCN1CCCCC1COC 34a_100000225091_200000210301 [1,0,0,1,0,0|1,0,1]=4 19345 B11R1.41 CCN1CCCCC1COC 34a_100015184032_100000210202 [1,0,0,1,0,0|1,0,1]=4 19346 B11R1.41 CCN1CCCCC1COC 7a_100000225091_200000210301 [1,0,0,1,0,0|1,0,1]=4 19347 B11R1.41 CCN1CCCCC1CO[13CH3] 34a_100000225091_200025704644 [1,0,0,1,0,0|1,0,1]=4 19348 B11R1.41 CCN1CCCCC1CO[13CH3] 7a_100000225091_200025704644 [1,0,0,1,0,0|1,0,1]=4 19349 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [1,0,0,1,0,0|2,0,0]=4 19350 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [1,0,0,1,0,0|2,0,0]=4 19351 B11R1.41 CCNC1CCCCC1OC 270004a_100015525214_100000740605 [1,0,0,1,0,0|1,0,1]=4 19352 B11R1.41 CCNC1CCCCC1OC 34a_100011208099_100000210202 [1,0,0,1,0,0|1,0,1]=4 19353 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [1,0,0,1,0,0|2,0,0]=4 19354 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [1,0,0,1,0,0|2,0,0]=4 19355 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [1,0,0,1,0,0|1,0,1]=4 19356 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [1,0,0,1,0,0|1,0,1]=4 19357 B11R1.47 C/C=C/CCOCC1CCC1 34a_100016278192_100000763275 [1,0,0,1,0,0|2,0,0]=4 19358 B11R1.47 CC=CCCCOC1CCC1 34a_100020645299_100000749161 [1,0,0,1,0,0|2,0,0]=4 19359 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [1,0,0,1,0,0|1,0,1]=4 19360 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [1,0,0,1,0,0|1,0,1]=4 19361 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [1,0,0,1,0,0|1,0,1]=4 19362 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [1,0,0,1,0,0|1,0,1]=4 19363 B11R1.47 CCCCCNCC1COC1 2230a_100000209983_100010264016 [1,0,0,1,0,0|1,0,1]=4 19364 B11R1.47 CCCCCNCC1COC1 2230a_100015281925_100000210326 [1,0,0,1,0,0|1,0,1]=4 19365 B11R1.47 CCCCCNCC1COC1 34a_100015281925_100000718602 [1,0,0,1,0,0|1,0,1]=4 19366 B11R1.47 CCCCCOCC1COC1 34a_100000060846_100000718602 [1,0,0,1,0,0|1,0,1]=4 19367 B11R1.47 CCCCCOCC1COC1 34a_100000210253_100010264016 [1,0,0,1,0,0|1,0,1]=4 19368 B11R1.47 CCCCCOCC1COC1 7a_100000210253_100010264016 [1,0,0,1,0,0|1,0,1]=4 19369 B11R1.47 CCCCCSCC1COC1 62a_100000210326_100010264016 [1,0,0,1,0,0|1,0,1]=4 19370 B11R1.47 CCCCCSCC1COC1 62a_100010264016_100000210326 [1,0,0,1,0,0|1,0,1]=4 19371 B11R1.47 CCCCOCCC1COC1 34a_100009855314_100000210210 [1,0,0,1,0,0|1,0,1]=4 19372 B11R1.47 COCCCCNC1CCC1 2230a_100000749019_100000730899 [1,0,0,1,0,0|1,0,1]=4 19373 B11R1.47 COCCCCNC1CCC1 34a_100000749019_100000755781 [1,0,0,1,0,0|1,0,1]=4 19374 B11R1.47 COCCCCOC1CCC1 34a_100000740925_100000749161 [1,0,0,1,0,0|1,0,1]=4 19375 B11R1.47 COCCCCOC1CCC1 34a_100000748187_100000755781 [1,0,0,1,0,0|1,0,1]=4 19376 B11R1.47 COCCCCSC1CCC1 62a_100000730899_100000749161 [1,0,0,1,0,0|1,0,1]=4 19377 B11R1.47 COCCCNCC1CCC1 2230a_100000738700_100000740836 [1,0,0,1,0,0|1,0,1]=4 19378 B11R1.47 COCCCNCC1CCC1 269862a_100150723488_100000753134 [1,0,0,1,0,0|1,0,1]=4 19379 B11R1.47 COCCCNCC1CCC1 34a_100000738700_100000740836 [1,0,0,1,0,0|1,0,1]=4 19380 B11R1.47 COCCCNCC1CCC1 34a_100150723488_100000763275 [1,0,0,1,0,0|1,0,1]=4 19381 B11R1.47 COCCCOCC1CCC1 34a_100000740835_100000763275 [1,0,0,1,0,0|1,0,1]=4 19382 B11R1.47 COCCCOCC1CCC1 34a_100000760304_100000740836 [1,0,0,1,0,0|1,0,1]=4 19383 B11R1.47 COCCCSCC1CCC1 62a_100000709357_100000763275 [1,0,0,1,0,0|1,0,1]=4 19384 B11R1.47 COCCCSCC1CCC1 62a_100000763275_100000709357 [1,0,0,1,0,0|1,0,1]=4 19385 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [1,0,0,1,0,0|2,0,0]=4 19386 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [1,0,0,1,0,0|2,0,0]=4 19387 B11R1.109 CCCN1CCCC1COC 34a_200000694710_200000210301 [1,0,0,1,0,0|1,0,1]=4 19388 B11R1.109 CCCN1CCCC1COC 7a_200000694710_200000210301 [1,0,0,1,0,0|1,0,1]=4 19389 B11R1.109 CCCN1CCCC1CO[13CH3] 34a_200000694710_200025704644 [1,0,0,1,0,0|1,0,1]=4 19390 B11R1.109 CCCN1CCCC1CO[13CH3] 7a_200000694710_200025704644 [1,0,0,1,0,0|1,0,1]=4 19391 B11R1.109 CCCN1CCC[C@H]1COC 2230a_100020646714_100000210303 [1,0,0,1,0,0|1,0,1]=4 19392 B11R1.109 CCCN1CCC[C@H]1COC 269982a_100020646714_100000210303 [1,0,0,1,0,0|1,0,1]=4 19393 B11R1.109 CCCN1CCC[C@H]1COC 34a_100020646714_100000210303 [1,0,0,1,0,0|1,0,1]=4 19394 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [1,0,0,1,0,0|2,0,0]=4 19395 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [1,0,0,1,0,0|2,0,0]=4 19396 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [1,0,0,1,0,0|2,0,0]=4 19397 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [1,0,0,1,0,0|2,0,0]=4 19398 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [1,0,0,1,0,0|2,0,0]=4 19399 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [1,0,0,1,0,0|0,0,1]=3 19400 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [1,0,0,1,0,0|0,0,1]=3 19401 B11R1.117 COCN1CCCCCCC1 2230a_100000211400_100000766300 [1,0,0,1,0,0|1,0,1]=4 19402 B11R1.117 COCN1CCCCCCC1 269982a_100000211400_100000766300 [1,0,0,1,0,0|1,0,1]=4 19403 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [1,0,0,1,0,0|0,0,1]=3 19404 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [1,0,0,1,0,0|0,0,1]=3 19405 B11R1.180 C/C=C/COC1CCCC1C 34a_100011216460_100102629194 [1,0,0,1,0,0|2,0,0]=4 19406 B11R1.180 C/C=C/COC1CCCC1C 7a_100011216460_100102629194 [1,0,0,1,0,0|2,0,0]=4 19407 B11R1.180 CC=CCOC1CCCC1C 34a_100011216460_100000070051 [1,0,0,1,0,0|2,0,0]=4 19408 B11R1.180 CC=CCOC1CCCC1C 7a_100011216460_100000070051 [1,0,0,1,0,0|2,0,0]=4 19409 B11R1.180 COCCCN1CCC[C@@H]1C 2230a_100020605311_100000740836 [1,0,0,1,0,0|1,0,1]=4 19410 B11R1.180 COCCCN1CCC[C@@H]1C 269982a_100020605311_100000740836 [1,0,0,1,0,0|1,0,1]=4 19411 B11R1.180 COCCCN1CCC[C@H]1C 2230a_100015189458_100000740836 [1,0,0,1,0,0|1,0,1]=4 19412 B11R1.180 COCCCN1CCC[C@H]1C 269982a_100015189458_100000740836 [1,0,0,1,0,0|1,0,1]=4 19413 B11R1.180 COCCCN1CCC[C@H]1C 34a_100015189458_100000740836 [1,0,0,1,0,0|1,0,1]=4 19414 B11R1.180 COCCNC1CCCC1C 269862a_100000209980_100000752053 [1,0,0,1,0,0|1,0,1]=4 19415 B11R1.180 COCCOC1CCCC1C 34a_100011216460_100011201679 [1,0,0,1,0,0|1,0,1]=4 19416 B11R1.180 COCCOC1CCCC1C 7a_100011216460_100000233755 [1,0,0,1,0,0|1,0,1]=4 19417 B11R1.190 COCCCCN1CCC1C 269982a_100000755817_100000730899 [1,0,0,1,0,0|1,0,1]=4 19418 B11R1.190 COCCCCN1CCC1C 34a_100000755817_100000755781 [1,0,0,1,0,0|1,0,1]=4 19419 B11R1.203 C/C=C/CN1CCCCCC1 269982a_100000185865_100102629194 [1,0,0,1,0,0|2,0,0]=4 19420 B11R1.203 C/C=C/CN1CCCCCC1 34a_100000185865_100102629194 [1,0,0,1,0,0|2,0,0]=4 19421 B11R1.203 CC=CCN1CCCCCC1 2230a_100000185865_100000070051 [1,0,0,1,0,0|2,0,0]=4 19422 B11R1.203 CC=CCN1CCCCCC1 34a_100000185865_100000070051 [1,0,0,1,0,0|2,0,0]=4 19423 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [1,0,0,1,0,0|2,0,0]=4 19424 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [1,0,0,1,0,0|2,0,0]=4 19425 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [1,0,0,1,0,0|2,0,0]=4 19426 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [1,0,0,1,0,0|2,0,0]=4 19427 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [1,0,0,1,0,0|2,0,0]=4 19428 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [1,0,0,1,0,0|2,0,0]=4 19429 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [1,0,0,1,0,0|2,0,0]=4 19430 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [1,0,0,1,0,0|2,0,0]=4 19431 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [1,0,0,1,0,0|2,0,0]=4 19432 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [1,0,0,1,0,0|1,0,1]=4 19433 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [1,0,0,1,0,0|1,0,1]=4 19434 B11R1.203 COCCN1CCCCCC1 2230a_100000185865_100011201679 [1,0,0,1,0,0|1,0,1]=4 19435 B11R1.203 COCCN1CCCCCC1 269982a_100000185865_100000233755 [1,0,0,1,0,0|1,0,1]=4 19436 B11R1.203 COCCN1CCCCCC1 34a_100000185865_100011201679 [1,0,0,1,0,0|1,0,1]=4 19437 B11R1.203 COCCN1CCCCCC1 34a_100000238007_200000210301 [1,0,0,1,0,0|1,0,1]=4 19438 B11R1.203 COCNC1CCCCCC1 2230a_100000210984_100000766300 [1,0,0,1,0,0|1,0,1]=4 19439 B11R1.203 COCSC1CCCCCC1 62a_100000766300_100011217769 [1,0,0,1,0,0|1,0,1]=4 19440 B11R1.203 COCSC1CCCCCC1 62a_100011217769_100000766300 [1,0,0,1,0,0|1,0,1]=4 19441 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [1,0,0,1,0,0|1,0,1]=4 19442 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [1,0,0,1,0,0|1,0,1]=4 19443 B11R1.203 [13CH3]OCCN1CCCCCC1 34a_100000238007_200025704644 [1,0,0,1,0,0|1,0,1]=4 19444 B11R1.232 CCCCN1CCC1COC 2230a_100015195929_100000210211 [1,0,0,1,0,0|1,0,1]=4 19445 B11R1.232 CCCCN1CCC1COC 269982a_100015195929_100000210211 [1,0,0,1,0,0|1,0,1]=4 19446 B11R1.232 CCCCN1CCC1COC 34a_100015195929_100000210210 [1,0,0,1,0,0|1,0,1]=4 19447 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [1,0,0,1,0,0|2,0,0]=4 19448 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [1,0,0,1,0,0|2,0,0]=4 19449 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [1,0,0,1,0,0|2,0,0]=4 19450 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [1,0,0,1,0,0|1,0,1]=4 19451 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [1,0,0,1,0,0|2,0,0]=4 19452 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [1,0,0,1,0,0|2,0,0]=4 19453 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [1,0,0,1,0,0|2,0,0]=4 19454 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [1,0,0,1,0,0|2,0,0]=4 19455 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [1,0,0,1,0,0|2,0,0]=4 19456 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [1,0,0,1,0,0|2,0,0]=4 19457 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 2230a_200010383782_200025704644 [1,0,0,1,0,0|2,0,0]=4 19458 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 34a_200010383782_200025704644 [1,0,0,1,0,0|2,0,0]=4 19459 B11R1.13 CNCC1CCCC(=O)N1C 2230a_200010383782_200000210301 [1,0,0,1,0,0|2,0,0]=4 19460 B11R1.13 CNCC1CCCC(=O)N1C 34a_200010383782_200000210301 [1,0,0,1,0,0|2,0,0]=4 19461 B11R1.25 C#CC(=O)CCC1CCCC1 1458a_100000211873_100000760354 [1,0,0,1,0,0|1,0,1]=4 19462 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [1,0,0,1,0,0|1,0,1]=4 19463 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [1,0,0,1,0,0|1,0,0]=3 19464 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [1,0,0,1,0,0|1,0,0]=3 19465 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [1,0,0,1,0,0|2,0,0]=4 19466 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [1,0,0,1,0,0|2,0,0]=4 19467 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [1,0,0,1,0,0|2,0,0]=4 19468 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [1,0,0,1,0,0|2,0,0]=4 19469 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [1,0,0,1,0,0|2,0,0]=4 19470 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [1,0,0,1,0,0|2,0,0]=4 19471 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [1,0,0,1,0,0|2,0,0]=4 19472 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [1,0,0,1,0,0|2,0,0]=4 19473 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [1,0,0,1,0,0|2,0,0]=4 19474 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [1,0,0,1,0,0|2,0,0]=4 19475 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [1,0,0,1,0,0|2,0,0]=4 19476 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [1,0,0,1,0,0|2,0,0]=4 19477 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [1,0,0,1,0,0|1,0,0]=3 19478 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [1,0,0,1,0,0|1,0,0]=3 19479 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [1,0,0,1,0,0|1,0,0]=3 19480 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [1,0,0,1,0,0|1,0,0]=3 19481 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [1,0,0,1,0,0|2,0,0]=4 19482 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [1,0,0,1,0,0|2,0,0]=4 19483 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [1,0,0,1,0,0|2,0,0]=4 19484 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [1,0,0,1,0,0|2,0,0]=4 19485 B11R1.25 CNC(=O)CCN1CCCC1 2230a_100000188435_100000737683 [1,0,0,1,0,0|2,0,0]=4 19486 B11R1.25 CNC(=O)CCN1CCCC1 240690a_100102657272_100000738983 [1,0,0,1,0,0|2,0,0]=4 19487 B11R1.25 CNC(=O)CCN1CCCC1 269982a_100000188435_100000737683 [1,0,0,1,0,0|2,0,0]=4 19488 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000211070_100000183359 [1,0,0,1,0,0|2,0,0]=4 19489 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000693194_100000179811 [1,0,0,1,0,0|2,0,0]=4 19490 B11R1.25 CNC(=O)CNC1CCCC1 270004a_100000693194_100000210133 [1,0,0,1,0,0|2,0,0]=4 19491 B11R1.25 CNC(=O)CNC1CCCC1 34a_100000211070_100000183359 [1,0,0,1,0,0|2,0,0]=4 19492 B11R1.25 CNC(=O)COC1CCCC1 11a_106832991635_100000741352 [1,0,0,1,0,0|2,0,0]=4 19493 B11R1.25 CNC(=O)COC1CCCC1 1626a_100102657272_100000741352 [1,0,0,1,0,0|2,0,0]=4 19494 B11R1.25 CNC(=O)COC1CCCC1 240690a_100102657272_100000741352 [1,0,0,1,0,0|2,0,0]=4 19495 B11R1.25 CNC(=O)COC1CCCC1 34a_100000210269_100000183359 [1,0,0,1,0,0|2,0,0]=4 19496 B11R1.25 CNC(=O)COC1CCCC1 34a_100000750040_100000179811 [1,0,0,1,0,0|2,0,0]=4 19497 B11R1.25 CNC(=O)COC1CCCC1 527a_100102657272_100000741352 [1,0,0,1,0,0|2,0,0]=4 19498 B11R1.25 CNC(=O)COC1CCCC1 7a_100000210269_100000183359 [1,0,0,1,0,0|2,0,0]=4 19499 B11R1.25 CNC(=O)CSC1CCCC1 62a_100000183359_100000179811 [1,0,0,1,0,0|2,0,0]=4 19500 B11R1.25 CNC(=O)CSC1CCCC1 62a_100011217020_100000183359 [1,0,0,1,0,0|2,0,0]=4 19501 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100000737975_106832991635 [1,0,0,1,0,0|2,0,0]=4 19502 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100102657272_100000737975 [1,0,0,1,0,0|2,0,0]=4 19503 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100000737975_100102657272 [1,0,0,1,0,0|2,0,0]=4 19504 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100102657272_100000737975 [1,0,0,1,0,0|2,0,0]=4 19505 B11R1.25 CNC(=O)NCC1CCCC1 512a_100000737975_100102657272 [1,0,0,1,0,0|2,0,0]=4 19506 B11R1.25 CNC(=O)NCC1CCCC1 512a_106832991638_100000737975 [1,0,0,1,0,0|2,0,0]=4 19507 B11R1.25 COC(=O)CCN1CCCC1 2230a_100000188435_100000204255 [1,0,0,1,0,0|1,0,0]=3 19508 B11R1.25 COC(=O)CCN1CCCC1 269982a_100000188435_100000204255 [1,0,0,1,0,0|1,0,0]=3 19509 B11R1.25 COC(=O)CCN1CCSC1 2230a_100011215254_100000204255 [1,0,0,1,0,0|2,0,0]=4 19510 B11R1.25 COC(=O)CCN1CCSC1 269982a_100011215254_100000204255 [1,0,0,1,0,0|2,0,0]=4 19511 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [1,0,0,1,0,0|1,0,0]=3 19512 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [1,0,0,1,0,0|1,0,0]=3 19513 B11R1.25 COC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747449 [1,0,0,1,0,0|2,0,0]=4 19514 B11R1.25 COC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747449 [1,0,0,1,0,0|2,0,0]=4 19515 B11R1.25 COC(=O)CN[C@H]1CCOC1 34a_100015188467_100000747449 [1,0,0,1,0,0|2,0,0]=4 19516 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [1,0,0,1,0,0|1,0,0]=3 19517 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [1,0,0,1,0,0|1,0,0]=3 19518 B11R1.25 COC(=O)COC1CCCO1 34a_100000085407_100000747449 [1,0,0,1,0,0|2,0,0]=4 19519 B11R1.25 COC(=O)COC1CCSC1 7a_100011232664_100000747449 [1,0,0,1,0,0|2,0,0]=4 19520 B11R1.25 COC(=O)CO[C@H]1CCOC1 34a_100000717292_100000747449 [1,0,0,1,0,0|2,0,0]=4 19521 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [1,0,0,1,0,0|1,0,0]=3 19522 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [1,0,0,1,0,0|1,0,0]=3 19523 B11R1.25 COC(=O)CSC1CCOC1 62a_100000747449_100000690089 [1,0,0,1,0,0|2,0,0]=4 19524 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [1,0,0,1,0,0|2,0,0]=4 19525 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [1,0,0,1,0,0|2,0,0]=4 19526 B11R1.40 C#CC(=O)CC1CCCCC1 1458a_100000211873_100000211423 [1,0,0,1,0,0|1,0,1]=4 19527 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [1,0,0,1,0,0|1,0,1]=4 19528 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [1,0,0,1,0,0|1,0,0]=3 19529 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [1,0,0,1,0,0|1,0,0]=3 19530 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [1,0,0,1,0,0|2,0,0]=4 19531 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [1,0,0,1,0,0|2,0,0]=4 19532 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [1,0,0,1,0,0|2,0,0]=4 19533 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [1,0,0,1,0,0|2,0,0]=4 19534 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [1,0,0,1,0,0|2,0,0]=4 19535 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [1,0,0,1,0,0|2,0,0]=4 19536 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [1,0,0,1,0,0|2,0,0]=4 19537 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [1,0,0,1,0,0|2,0,0]=4 19538 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [1,0,0,1,0,0|2,0,0]=4 19539 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [1,0,0,1,0,0|2,0,0]=4 19540 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [1,0,0,1,0,0|2,0,0]=4 19541 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [1,0,0,1,0,0|1,0,0]=3 19542 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [1,0,0,1,0,0|1,0,0]=3 19543 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [1,0,0,1,0,0|1,0,0]=3 19544 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [1,0,0,1,0,0|1,0,0]=3 19545 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [1,0,0,1,0,0|2,0,0]=4 19546 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [1,0,0,1,0,0|2,0,0]=4 19547 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [1,0,0,1,0,0|2,0,0]=4 19548 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [1,0,0,1,0,0|2,0,0]=4 19549 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [1,0,0,1,0,0|2,0,0]=4 19550 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [1,0,0,1,0,0|2,0,0]=4 19551 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [1,0,0,1,0,0|2,0,0]=4 19552 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [1,0,0,1,0,0|2,0,0]=4 19553 B11R1.40 CNC(=O)CC1CCOCC1 11a_106832991635_100000757261 [1,0,0,1,0,0|2,0,0]=4 19554 B11R1.40 CNC(=O)CC1CCOCC1 1626a_100102657272_100000757261 [1,0,0,1,0,0|2,0,0]=4 19555 B11R1.40 CNC(=O)CC1CCOCC1 240690a_100102657272_100000757261 [1,0,0,1,0,0|2,0,0]=4 19556 B11R1.40 CNC(=O)CC1CCOCC1 527a_100102657272_100000757261 [1,0,0,1,0,0|2,0,0]=4 19557 B11R1.40 CNC(=O)CN1CCCCC1 11a_106832991635_100000740322 [1,0,0,1,0,0|2,0,0]=4 19558 B11R1.40 CNC(=O)CN1CCCCC1 240690a_100102657272_100000740322 [1,0,0,1,0,0|2,0,0]=4 19559 B11R1.40 CNC(=O)CN1CCCCC1 527a_100102657272_100000740322 [1,0,0,1,0,0|2,0,0]=4 19560 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [1,0,0,1,0,0|2,0,0]=4 19561 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [1,0,0,1,0,0|2,0,0]=4 19562 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [1,0,0,1,0,0|2,0,0]=4 19563 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [1,0,0,1,0,0|2,0,0]=4 19564 B11R1.40 COC(=O)CN1CCCOC1 2230a_100000131196_100000747449 [1,0,0,1,0,0|2,0,0]=4 19565 B11R1.40 COC(=O)CN1CCCOC1 269982a_100000131196_100000747449 [1,0,0,1,0,0|2,0,0]=4 19566 B11R1.40 COC(=O)CN1CCCOC1 34a_100000131196_100000747449 [1,0,0,1,0,0|2,0,0]=4 19567 B11R1.40 COC(=O)CN1CCOCC1 2230a_100015191051_100000747449 [1,0,0,1,0,0|2,0,0]=4 19568 B11R1.40 COC(=O)CN1CCOCC1 269982a_100015191051_100000747449 [1,0,0,1,0,0|2,0,0]=4 19569 B11R1.40 COC(=O)CN1CCOCC1 34a_100015191051_100000747449 [1,0,0,1,0,0|2,0,0]=4 19570 B11R1.40 COC(=O)CN1CCSCC1 2230a_100000737611_100000747449 [1,0,0,1,0,0|2,0,0]=4 19571 B11R1.40 COC(=O)CN1CCSCC1 269982a_100000737611_100000747449 [1,0,0,1,0,0|2,0,0]=4 19572 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [1,0,0,1,0,0|2,0,0]=4 19573 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [1,0,0,1,0,0|2,0,0]=4 19574 B11R1.59 CCC(=O)C1CCCN1CC 1458a_106256033941_100000210202 [1,0,0,1,0,0|2,0,0]=4 19575 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [1,0,0,1,0,0|2,0,0]=4 19576 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [1,0,0,1,0,0|2,0,0]=4 19577 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [1,0,0,1,0,0|2,0,0]=4 19578 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [1,0,0,1,0,0|2,0,0]=4 19579 B11R1.59 CCC1CCCN1C(=O)NC 2708a_100102657272_100000754278 [1,0,0,1,0,0|2,0,0]=4 19580 B11R1.59 CCC1CCCN1C(=O)NC 273464a_100102657272_100000754278 [1,0,0,1,0,0|2,0,0]=4 19581 B11R1.59 CCN1CCCC1C(=O)NC 240690a_100102657272_106256033941 [1,0,0,1,0,0|2,0,0]=4 19582 B11R1.59 CCN1CCCC1C(=O)NC 527a_100102657272_106256033941 [1,0,0,1,0,0|2,0,0]=4 19583 B11R1.59 CCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210202 [1,0,0,1,0,0|2,0,0]=4 19584 B11R1.59 CCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000204670 [1,0,0,1,0,0|2,0,0]=4 19585 B11R1.59 CCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210202 [1,0,0,1,0,0|2,0,0]=4 19586 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [1,0,0,1,0,0|1,0,0]=3 19587 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [1,0,0,1,0,0|1,0,0]=3 19588 B11R1.59 CCN1CCSC1C(=O)OC 2230a_100015296106_100000210202 [1,0,0,1,0,0|2,0,0]=4 19589 B11R1.59 CCN1CCSC1C(=O)OC 269982a_100015296106_100000204670 [1,0,0,1,0,0|2,0,0]=4 19590 B11R1.59 CCN1CSCC1C(=O)OC 269982a_200000724679_100000204670 [1,0,0,1,0,0|2,0,0]=4 19591 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [1,0,0,1,0,0|1,0,0]=3 19592 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [1,0,0,1,0,0|1,0,0]=3 19593 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [1,0,0,1,0,0|1,0,0]=3 19594 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [1,0,0,1,0,0|1,0,0]=3 19595 B11R1.59 COC(=O)[C@@H]1CCCN1CF 269982a_100000752040_100015361967 [1,0,0,1,0,0|2,0,0]=4 19596 B11R1.115 CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210303 [1,0,0,1,0,0|1,0,0]=3 19597 B11R1.115 CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210303 [1,0,0,1,0,0|1,0,0]=3 19598 B11R1.115 COC(=O)[C@@H]1CCN1CCF 2230a_102516456887_100011217306 [1,0,0,1,0,0|2,0,0]=4 19599 B11R1.115 COC(=O)[C@@H]1CCN1CCF 269982a_102516456887_100011217306 [1,0,0,1,0,0|2,0,0]=4 19600 B11R1.115 COC(=O)[C@@H]1CCN1CCO 2230a_102516456887_100000211926 [1,0,0,1,0,0|2,0,0]=4 19601 B11R1.115 COC(=O)[C@@H]1CCN1CCO 269982a_102516456887_100000211926 [1,0,0,1,0,0|2,0,0]=4 19602 B11R1.115 COC(=O)[C@@H]1CCN1CSC 2230a_102516456887_100011218213 [1,0,0,1,0,0|2,0,0]=4 19603 B11R1.115 COC(=O)[C@@H]1CCN1CSC 269982a_102516456887_100011218213 [1,0,0,1,0,0|2,0,0]=4 19604 B11R1.115 COCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000766300 [1,0,0,1,0,0|2,0,0]=4 19605 B11R1.115 COCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000766300 [1,0,0,1,0,0|2,0,0]=4 19606 B11R1.218 CCCCN1CC1C(=O)OC 2230a_200009830135_100000210211 [1,0,0,1,0,0|1,0,0]=3 19607 B11R1.218 COC(=O)C1CN1CCCF 2230a_200009830135_100011934791 [1,0,0,1,0,0|2,0,0]=4 19608 B11R1.218 COC(=O)C1CN1CCCO 2230a_200009830135_100000230001 [1,0,0,1,0,0|2,0,0]=4 19609 B11R1.218 COC(=O)C1CN1CCSC 2230a_200009830135_100000751147 [1,0,0,1,0,0|2,0,0]=4 19610 B11R1.218 COCCN1CC1C(=O)OC 2230a_200009830135_100011201679 [1,0,0,1,0,0|2,0,0]=4 19611 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [1,0,0,1,0,0|2,0,0]=4 19612 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [1,0,0,1,0,0|1,0,0]=3 19613 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [1,0,0,1,0,0|2,0,0]=4 19614 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [1,0,0,1,0,0|2,0,0]=4 19615 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [1,0,0,1,0,0|2,0,0]=4 19616 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [1,0,0,1,0,0|2,0,0]=4 19617 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [1,0,0,1,0,0|2,0,0]=4 19618 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [1,0,0,1,0,0|2,0,0]=4 19619 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [1,0,0,1,0,0|1,0,0]=3 19620 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [1,0,0,1,0,0|1,0,0]=3 19621 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [1,0,0,1,0,0|1,0,0]=3 19622 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [1,0,0,1,0,0|1,0,0]=3 19623 B11R1.222 CNC(=O)C1CCCCN1C 2230a_100011209383_200000210301 [1,0,0,1,0,0|2,0,0]=4 19624 B11R1.222 CNC(=O)C1CCCCN1C 269982a_100011209383_200000210301 [1,0,0,1,0,0|2,0,0]=4 19625 B11R1.222 CNC(=O)C1CCCCN1C 34a_100011209383_200000210301 [1,0,0,1,0,0|2,0,0]=4 19626 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 2230a_100011209383_200025704644 [1,0,0,1,0,0|2,0,0]=4 19627 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 269982a_100011209383_200025704644 [1,0,0,1,0,0|2,0,0]=4 19628 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 34a_100011209383_200025704644 [1,0,0,1,0,0|2,0,0]=4 19629 B11R1.222 CNC(=O)N1CCCCC1C 2708a_100102657272_100000211376 [1,0,0,1,0,0|2,0,0]=4 19630 B11R1.222 CNC(=O)N1CCCCC1C 273464a_100102657272_100000211376 [1,0,0,1,0,0|2,0,0]=4 19631 B11R1.222 CNC(=O)[C@H]1CCCCN1C 11a_106832991635_100000767060 [1,0,0,1,0,0|2,0,0]=4 19632 B11R1.222 CNC(=O)[C@H]1CCCCN1C 1626a_100102657272_100000767060 [1,0,0,1,0,0|2,0,0]=4 19633 B11R1.222 CNC(=O)[C@H]1CCCCN1C 240690a_100102657272_100000767060 [1,0,0,1,0,0|2,0,0]=4 19634 B11R1.222 CNC(=O)[C@H]1CCCCN1C 527a_100102657272_100000767060 [1,0,0,1,0,0|2,0,0]=4 19635 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [1,0,0,1,0,0|1,0,0]=3 19636 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [1,0,0,1,0,0|1,0,0]=3 19637 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [1,0,0,1,0,0|1,0,0]=3 19638 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [1,0,0,1,0,0|1,0,0]=3 19639 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [1,0,0,1,0,0|1,0,0]=3 19640 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [1,0,0,1,0,0|1,0,0]=3 19641 B11R1.222 COC(=O)C1COCCN1C 2230a_100000765174_200000210301 [1,0,0,1,0,0|2,0,0]=4 19642 B11R1.222 COC(=O)C1COCCN1C 34a_100000765174_200000210301 [1,0,0,1,0,0|2,0,0]=4 19643 B11R1.222 COC(=O)C1COCCN1[13CH3] 2230a_100000765174_200025704644 [1,0,0,1,0,0|2,0,0]=4 19644 B11R1.222 COC(=O)C1COCCN1[13CH3] 34a_100000765174_200025704644 [1,0,0,1,0,0|2,0,0]=4 19645 B11R1.223 CNC(=O)CCN1CCC1C 269982a_100000755817_100000737683 [1,0,0,1,0,0|2,0,0]=4 19646 B11R1.223 CNC(=O)CCN1CCC1C 34a_100000755817_100012179268 [1,0,0,1,0,0|2,0,0]=4 19647 B11R1.223 COC(=O)CCN1CCC1C 269982a_100000755817_100000204255 [1,0,0,1,0,0|1,0,0]=3 19648 B11R1.223 COC(=O)CCN1CCC1C 34a_100000755817_100000742370 [1,0,0,1,0,0|1,0,0]=3 19649 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [1,0,0,1,0,0|2,0,0]=4 19650 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [1,0,0,1,0,0|2,0,0]=4 19651 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183359 [1,0,0,1,0,0|2,0,0]=4 19652 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183359 [1,0,0,1,0,0|2,0,0]=4 19653 B11R1.228 CNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183359 [1,0,0,1,0,0|2,0,0]=4 19654 B11R1.228 CNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183359 [1,0,0,1,0,0|2,0,0]=4 19655 B11R1.228 CNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183359 [1,0,0,1,0,0|2,0,0]=4 19656 B11R1.228 COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747449 [1,0,0,1,0,0|1,0,0]=3 19657 B11R1.228 COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747449 [1,0,0,1,0,0|1,0,0]=3 19658 B11R1.228 COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747449 [1,0,0,1,0,0|1,0,0]=3 19659 B11R1.228 COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747449 [1,0,0,1,0,0|1,0,0]=3 19660 B11R1.228 COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000747449 [1,0,0,1,0,0|1,0,0]=3 19661 B11R1.228 COC(=O)CN1CCSC1C 2230a_200011216479_100000747449 [1,0,0,1,0,0|2,0,0]=4 19662 B11R1.228 COC(=O)CN1CCSC1C 269982a_200011216479_100000747449 [1,0,0,1,0,0|2,0,0]=4 19663 B11R1.228 COC(=O)CN1CCSC1C 34a_200011216479_100000747449 [1,0,0,1,0,0|2,0,0]=4 19664 B11R1.228 COC(=O)C[C@H]1CCCN1C 2230a_100025726698_200000210301 [1,0,0,1,0,0|1,0,0]=3 19665 B11R1.228 COC(=O)C[C@H]1CCCN1C 269982a_100025726698_200000210301 [1,0,0,1,0,0|1,0,0]=3 19666 B11R1.228 COC(=O)C[C@H]1CCCN1C 34a_100025726698_200000210301 [1,0,0,1,0,0|1,0,0]=3 19667 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 2230a_100025726698_200025704644 [1,0,0,1,0,0|1,0,0]=3 19668 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 269982a_100025726698_200025704644 [1,0,0,1,0,0|1,0,0]=3 19669 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 34a_100025726698_200025704644 [1,0,0,1,0,0|1,0,0]=3 19670 B11R1.235 CCC(=O)COCC1CC1C 7a_100000744939_100000747405 [1,0,0,1,0,0|2,0,0]=4 19671 B11R1.235 CNC(=O)COCC1CC1C 34a_100000744939_100000183359 [1,0,0,1,0,0|2,0,0]=4 19672 B11R1.235 CNC(=O)COCC1CC1C 7a_100000744939_100000183359 [1,0,0,1,0,0|2,0,0]=4 19673 B11R1.235 COC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000204255 [1,0,0,1,0,0|2,0,0]=4 19674 B11R1.235 COC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000204255 [1,0,0,1,0,0|2,0,0]=4 19675 B11R1.235 COC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000742370 [1,0,0,1,0,0|2,0,0]=4 19676 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [1,0,0,1,0,0|1,0,0]=3 19677 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [1,0,0,1,0,0|1,0,0]=3 19678 B11R1.236 CCC(=O)COCC1CCC1 34a_100000725409_100000763275 [1,0,0,1,0,0|2,0,0]=4 19679 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000747405_100000763275 [1,0,0,1,0,0|2,0,0]=4 19680 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000763275_100000747405 [1,0,0,1,0,0|2,0,0]=4 19681 B11R1.236 CNC(=O)CCCN1CCC1 269982a_100000754969_100000741757 [1,0,0,1,0,0|2,0,0]=4 19682 B11R1.236 CNC(=O)CCNC1CCC1 2230a_100000749019_100000737683 [1,0,0,1,0,0|2,0,0]=4 19683 B11R1.236 CNC(=O)CCNC1CCC1 270004a_100000738227_100000241760 [1,0,0,1,0,0|2,0,0]=4 19684 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000738227_100000749161 [1,0,0,1,0,0|2,0,0]=4 19685 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000749019_100012179268 [1,0,0,1,0,0|2,0,0]=4 19686 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000748187_100012179268 [1,0,0,1,0,0|2,0,0]=4 19687 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000754576_100000749161 [1,0,0,1,0,0|2,0,0]=4 19688 B11R1.236 CNC(=O)CCSC1CCC1 62a_100000737683_100000749161 [1,0,0,1,0,0|2,0,0]=4 19689 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000693194_100000763275 [1,0,0,1,0,0|2,0,0]=4 19690 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000738700_100000183359 [1,0,0,1,0,0|2,0,0]=4 19691 B11R1.236 CNC(=O)CNCC1CCC1 269862a_100000693194_100000753134 [1,0,0,1,0,0|2,0,0]=4 19692 B11R1.236 CNC(=O)CNCC1CCC1 34a_100000738700_100000183359 [1,0,0,1,0,0|2,0,0]=4 19693 B11R1.236 CNC(=O)COCC1CCC1 34a_100000750040_100000763275 [1,0,0,1,0,0|2,0,0]=4 19694 B11R1.236 CNC(=O)COCC1CCC1 34a_100000760304_100000183359 [1,0,0,1,0,0|2,0,0]=4 19695 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000183359_100000763275 [1,0,0,1,0,0|2,0,0]=4 19696 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000763275_100000183359 [1,0,0,1,0,0|2,0,0]=4 19697 B11R1.236 COC(=O)CCCN1CCC1 269982a_100000754969_100011218270 [1,0,0,1,0,0|1,0,0]=3 19698 B11R1.236 COC(=O)CCNC1CCC1 2230a_100000749019_100000204255 [1,0,0,1,0,0|1,0,0]=3 19699 B11R1.236 COC(=O)CCNC1CCC1 34a_100000749019_100000742370 [1,0,0,1,0,0|1,0,0]=3 19700 B11R1.236 COC(=O)CCNC1COC1 2230a_100016991112_100000204255 [1,0,0,1,0,0|2,0,0]=4 19701 B11R1.236 COC(=O)CCOC1CCC1 34a_100000748187_100000742370 [1,0,0,1,0,0|1,0,0]=3 19702 B11R1.236 COC(=O)CCOC1CSC1 7a_100000072292_100000204255 [1,0,0,1,0,0|2,0,0]=4 19703 B11R1.236 COC(=O)CCSC1CCC1 62a_100000204255_100000749161 [1,0,0,1,0,0|1,0,0]=3 19704 B11R1.236 COC(=O)CCSC1COC1 62a_100000204255_100009818527 [1,0,0,1,0,0|2,0,0]=4 19705 B11R1.236 COC(=O)CNCC1CCC1 2230a_100000738700_100000747449 [1,0,0,1,0,0|1,0,0]=3 19706 B11R1.236 COC(=O)CNCC1CCC1 34a_100000738700_100000747449 [1,0,0,1,0,0|1,0,0]=3 19707 B11R1.236 COC(=O)CNCC1COC1 2230a_100015281925_100000747449 [1,0,0,1,0,0|2,0,0]=4 19708 B11R1.236 COC(=O)CNCC1COC1 34a_100015281925_100000747449 [1,0,0,1,0,0|2,0,0]=4 19709 B11R1.236 COC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747449 [1,0,0,1,0,0|2,0,0]=4 19710 B11R1.236 COC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000747449 [1,0,0,1,0,0|2,0,0]=4 19711 B11R1.236 COC(=O)COCC1CCC1 34a_100000760304_100000747449 [1,0,0,1,0,0|1,0,0]=3 19712 B11R1.236 COC(=O)COCC1CCO1 34a_100000039022_100000747449 [1,0,0,1,0,0|2,0,0]=4 19713 B11R1.236 COC(=O)COCC1CNC1 34a_100016987283_100000747449 [1,0,0,1,0,0|2,0,0]=4 19714 B11R1.236 COC(=O)COCC1COC1 34a_100000060846_100000747449 [1,0,0,1,0,0|2,0,0]=4 19715 B11R1.236 COC(=O)CSCC1CCC1 62a_100000747449_100000763275 [1,0,0,1,0,0|1,0,0]=3 19716 B11R1.236 COC(=O)CSCC1CCC1 62a_100000763275_100000747449 [1,0,0,1,0,0|1,0,0]=3 19717 B11R1.236 COC(=O)CSCC1CCO1 62a_100000103362_100000747449 [1,0,0,1,0,0|2,0,0]=4 19718 B11R1.236 COC(=O)CSCC1CCO1 62a_100000747449_100000103362 [1,0,0,1,0,0|2,0,0]=4 19719 B11R1.236 COC(=O)CSCC1COC1 62a_100000747449_100010264016 [1,0,0,1,0,0|2,0,0]=4 19720 B11R1.236 COC(=O)CSCC1COC1 62a_100010264016_100000747449 [1,0,0,1,0,0|2,0,0]=4 19721 B11R1.237 CCC(=O)COCCC1CC1 34a_100000725409_100000694398 [1,0,0,1,0,0|2,0,0]=4 19722 B11R1.237 CCC(=O)COCCC1CC1 7a_100000754188_100000747405 [1,0,0,1,0,0|2,0,0]=4 19723 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000747405_100000764125 [1,0,0,1,0,0|2,0,0]=4 19724 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000764125_100000747405 [1,0,0,1,0,0|2,0,0]=4 19725 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000212008_100000741757 [1,0,0,1,0,0|2,0,0]=4 19726 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000740002_100000211595 [1,0,0,1,0,0|2,0,0]=4 19727 B11R1.237 CNC(=O)CCCSC1CC1 62a_100000741757_100000211595 [1,0,0,1,0,0|2,0,0]=4 19728 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000735609_100000737683 [1,0,0,1,0,0|2,0,0]=4 19729 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000738227_100000742324 [1,0,0,1,0,0|2,0,0]=4 19730 B11R1.237 CNC(=O)CCNCC1CC1 269862a_100000738227_100000741477 [1,0,0,1,0,0|2,0,0]=4 19731 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000735609_100012179268 [1,0,0,1,0,0|2,0,0]=4 19732 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000738227_100000742324 [1,0,0,1,0,0|2,0,0]=4 19733 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000211283_100012179268 [1,0,0,1,0,0|2,0,0]=4 19734 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000754576_100000742324 [1,0,0,1,0,0|2,0,0]=4 19735 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000737683_100000742324 [1,0,0,1,0,0|2,0,0]=4 19736 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000756562_100000737683 [1,0,0,1,0,0|2,0,0]=4 19737 B11R1.237 CNC(=O)CNCCC1CC1 2230a_100000693194_100000694398 [1,0,0,1,0,0|2,0,0]=4 19738 B11R1.237 CNC(=O)CNCCC1CC1 34a_100000764129_100000183359 [1,0,0,1,0,0|2,0,0]=4 19739 B11R1.237 CNC(=O)COCCC1CC1 34a_100000750040_100000694398 [1,0,0,1,0,0|2,0,0]=4 19740 B11R1.237 CNC(=O)COCCC1CC1 34a_100000754188_100000183359 [1,0,0,1,0,0|2,0,0]=4 19741 B11R1.237 CNC(=O)COCCC1CC1 7a_100000754188_100000183359 [1,0,0,1,0,0|2,0,0]=4 19742 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000183359_100000764125 [1,0,0,1,0,0|2,0,0]=4 19743 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000764125_100000183359 [1,0,0,1,0,0|2,0,0]=4 19744 B11R1.237 COC(=O)CCCNC1CC1 34a_100000212008_100000742333 [1,0,0,1,0,0|1,0,0]=3 19745 B11R1.237 COC(=O)CCCSC1CC1 62a_100011218270_100000211595 [1,0,0,1,0,0|1,0,0]=3 19746 B11R1.237 COC(=O)CCNCC1CC1 2230a_100000735609_100000204255 [1,0,0,1,0,0|1,0,0]=3 19747 B11R1.237 COC(=O)CCNCC1CC1 34a_100000735609_100000742370 [1,0,0,1,0,0|1,0,0]=3 19748 B11R1.237 COC(=O)CCOCC1CC1 34a_100000211283_100000742370 [1,0,0,1,0,0|1,0,0]=3 19749 B11R1.237 COC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000742370 [1,0,0,1,0,0|2,0,0]=4 19750 B11R1.237 COC(=O)CCSCC1CC1 62a_100000204255_100000742324 [1,0,0,1,0,0|1,0,0]=3 19751 B11R1.237 COC(=O)CCSCC1CC1 62a_100000756562_100000204255 [1,0,0,1,0,0|1,0,0]=3 19752 B11R1.237 COC(=O)CCSCC1CO1 62a_100000204255_102125554688 [1,0,0,1,0,0|2,0,0]=4 19753 B11R1.237 COC(=O)CCSCC1CO1 62a_102125554688_100000204255 [1,0,0,1,0,0|2,0,0]=4 19754 B11R1.237 COC(=O)CCSCC1CS1 62a_100000031435_100000204255 [1,0,0,1,0,0|2,0,0]=4 19755 B11R1.237 COC(=O)CCSCC1CS1 62a_100000204255_100000031435 [1,0,0,1,0,0|2,0,0]=4 19756 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000204255_100000745022 [1,0,0,1,0,0|2,0,0]=4 19757 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000204255 [1,0,0,1,0,0|2,0,0]=4 19758 B11R1.237 COC(=O)CNCCC1CC1 34a_100000764129_100000747449 [1,0,0,1,0,0|1,0,0]=3 19759 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [1,0,0,1,0,0|1,0,0]=3 19760 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [1,0,0,1,0,0|1,0,0]=3 19761 B11R1.237 COC(=O)COCC[C@@H]1CO1 34a_100009820653_100000747449 [1,0,0,1,0,0|2,0,0]=4 19762 B11R1.237 COC(=O)CSCCC1CC1 62a_100000747449_100000764125 [1,0,0,1,0,0|1,0,0]=3 19763 B11R1.237 COC(=O)CSCCC1CC1 62a_100000764125_100000747449 [1,0,0,1,0,0|1,0,0]=3 19764 B11R1.237 COC(=O)CSCCC1CO1 62a_100000732470_100000747449 [1,0,0,1,0,0|2,0,0]=4 19765 B11R1.237 COC(=O)CSCCC1CO1 62a_100000747449_100000732470 [1,0,0,1,0,0|2,0,0]=4 19766 B11R1.237 COC(=O)NCCOC1CC1 34a_100000757965_100000211595 [1,0,0,1,0,0|2,0,0]=4 19767 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [1,0,0,1,0,0|2,0,0]=4 19768 B11R1.237 COC(=O)OCSCC1CC1 62a_100000756562_100000139417 [1,0,0,1,0,0|2,0,0]=4 19769 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [1,0,0,1,0,0|1,0,1]=4 19770 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [1,0,0,1,0,0|1,0,1]=4 19771 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [1,0,0,1,0,0|1,0,0]=3 19772 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [1,0,0,1,0,0|1,0,0]=3 19773 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [1,0,0,1,0,0|2,0,0]=4 19774 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [1,0,0,1,0,0|2,0,0]=4 19775 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [1,0,0,1,0,0|2,0,0]=4 19776 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [1,0,0,1,0,0|2,0,0]=4 19777 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [1,0,0,1,0,0|1,0,0]=3 19778 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [1,0,0,1,0,0|1,0,0]=3 19779 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [1,0,0,1,0,0|1,0,0]=3 19780 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [1,0,0,1,0,0|1,0,0]=3 19781 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [1,0,0,1,0,0|2,0,0]=4 19782 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [1,0,0,1,0,0|2,0,0]=4 19783 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [1,0,0,1,0,0|2,0,0]=4 19784 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [1,0,0,1,0,0|2,0,0]=4 19785 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [0,1,0,1,0,0|2,0,0]=4 19786 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [0,1,0,1,0,0|1,0,0]=3 19787 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [0,1,0,1,0,0|2,0,0]=4 19788 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [0,1,0,1,0,0|2,0,0]=4 19789 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [0,1,0,1,0,0|2,0,0]=4 19790 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [0,1,0,1,0,0|2,0,0]=4 19791 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [0,1,0,1,0,0|2,0,0]=4 19792 B13R1.6 CCCCOCC1COCC(=O)N1 34a_200000101122_100000210210 [0,1,0,1,0,0|2,0,0]=4 19793 B13R1.6 CCCCOCN1CCOC(=O)C1 2230a_100000131268_100011995733 [0,1,0,1,0,0|2,0,0]=4 19794 B13R1.6 CCCOCCN1CCOC(=O)C1 2230a_100000131268_100011215938 [0,1,0,1,0,0|2,0,0]=4 19795 B13R1.6 CCOCCCN1CCOC(=O)C1 2230a_100000131268_100012232248 [0,1,0,1,0,0|2,0,0]=4 19796 B13R1.6 COCCCCN1CCOC(=O)C1 2230a_100000131268_100000730899 [0,1,0,1,0,0|2,0,0]=4 19797 B13R1.6 O=C1CN(CCO1)CCCCCF 2230a_100000131268_100000729378 [0,1,0,1,0,0|2,0,0]=4 19798 B13R1.6 O=C1CN(CCO1)CCCCCO 2230a_100000131268_100000746330 [0,1,0,1,0,0|2,0,0]=4 19799 B13R1.42 C#CCC(=O)CCC1CCCCC1 1458a_100000211375_100000184674 [0,1,0,1,0,0|1,0,1]=4 19800 B13R1.42 C#CCC(=O)CCC1CCCCC1 1458a_100011220946_100011273959 [0,1,0,1,0,0|1,0,1]=4 19801 B13R1.42 C=CCC(=O)CCC1CCCCC1 1458a_100000210193_100011273959 [0,1,0,1,0,0|1,0,1]=4 19802 B13R1.42 C=CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210623 [0,1,0,1,0,0|1,0,1]=4 19803 B13R1.42 C=COC(=O)CNC1CCCCC1 2230a_100000182618_100000036128 [0,1,0,1,0,0|1,0,1]=4 19804 B13R1.42 C=COC(=O)CNC1CCCCC1 34a_100000182618_100000036128 [0,1,0,1,0,0|1,0,1]=4 19805 B13R1.42 C=COC(=O)COC1CCCCC1 34a_100000210231_100000036128 [0,1,0,1,0,0|1,0,1]=4 19806 B13R1.42 C=COC(=O)CSC1CCCCC1 62a_100000036128_100000210327 [0,1,0,1,0,0|1,0,1]=4 19807 B13R1.42 C=COC(=O)CSC1CCCCC1 62a_100000210327_100000036128 [0,1,0,1,0,0|1,0,1]=4 19808 B13R1.42 CC#CC(=O)CCC1CCCCC1 1458a_100000763181_100011273959 [0,1,0,1,0,0|1,0,0]=3 19809 B13R1.42 CC#CC(=O)CCC1CCOCC1 1458a_100000763181_100011934994 [0,1,0,1,0,0|2,0,0]=4 19810 B13R1.42 CC#CC(=O)CCN1CCCCC1 1458a_100000763181_100000739454 [0,1,0,1,0,0|2,0,0]=4 19811 B13R1.42 CC#CC(=O)COC1CCCCC1 1458a_100000763181_100011935260 [0,1,0,1,0,0|2,0,0]=4 19812 B13R1.42 CC=CC(=O)CCC1CCCCC1 1458a_100000210699_100011273959 [0,1,0,1,0,0|1,0,0]=3 19813 B13R1.42 CC=CC(=O)CCC1CCOCC1 1458a_100000210699_100011934994 [0,1,0,1,0,0|2,0,0]=4 19814 B13R1.42 CC=CC(=O)CCN1CCCCC1 1458a_100000210699_100000739454 [0,1,0,1,0,0|2,0,0]=4 19815 B13R1.42 CC=CC(=O)COC1CCCCC1 1458a_100000210699_100011935260 [0,1,0,1,0,0|2,0,0]=4 19816 B13R1.42 CC=CC(=O)NCC1CCCCC1 11a_100000210473_100000210699 [0,1,0,1,0,0|2,0,0]=4 19817 B13R1.42 CC=CC(=O)NCC1CCCCC1 1626a_100000210473_100000210699 [0,1,0,1,0,0|2,0,0]=4 19818 B13R1.42 CC=CC(=O)NCC1CCCCC1 240690a_100000210473_100000210699 [0,1,0,1,0,0|2,0,0]=4 19819 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [0,1,0,1,0,0|1,0,0]=3 19820 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [0,1,0,1,0,0|1,0,0]=3 19821 B13R1.42 CCCC(=O)CCC1CCOCC1 1458a_100000211992_100011934994 [0,1,0,1,0,0|2,0,0]=4 19822 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000211992_100000739454 [0,1,0,1,0,0|2,0,0]=4 19823 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000743487_100000210303 [0,1,0,1,0,0|2,0,0]=4 19824 B13R1.42 CCCC(=O)CNC1CCCCC1 2230a_100000182618_100000747444 [0,1,0,1,0,0|2,0,0]=4 19825 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100000211992_100011935260 [0,1,0,1,0,0|2,0,0]=4 19826 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100011223303_100000210303 [0,1,0,1,0,0|2,0,0]=4 19827 B13R1.42 CCCC(=O)COC1CCCCC1 7a_100000210231_100000747444 [0,1,0,1,0,0|2,0,0]=4 19828 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000210327_100000747444 [0,1,0,1,0,0|2,0,0]=4 19829 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000747444_100000210327 [0,1,0,1,0,0|2,0,0]=4 19830 B13R1.42 CCCC(=O)NCC1CCCCC1 11a_100000210473_100000211992 [0,1,0,1,0,0|2,0,0]=4 19831 B13R1.42 CCCC(=O)NCC1CCCCC1 1626a_100000210473_100000211992 [0,1,0,1,0,0|2,0,0]=4 19832 B13R1.42 CCCC(=O)NCC1CCCCC1 240690a_100000210473_100000211992 [0,1,0,1,0,0|2,0,0]=4 19833 B13R1.42 CCCC(=O)NCC1CCCCC1 527a_100000210473_100000211992 [0,1,0,1,0,0|2,0,0]=4 19834 B13R1.42 CCNC(=O)CCC1CCCCC1 11a_100015525214_100000211375 [0,1,0,1,0,0|1,0,0]=3 19835 B13R1.42 CCNC(=O)CCC1CCCCC1 240690a_100015525214_100000211375 [0,1,0,1,0,0|1,0,0]=3 19836 B13R1.42 CCNC(=O)CCC1CCCCC1 527a_100015525214_100000211375 [0,1,0,1,0,0|1,0,0]=3 19837 B13R1.42 CCNC(=O)CCN1CCCCC1 240690a_100015525214_100000743487 [0,1,0,1,0,0|2,0,0]=4 19838 B13R1.42 CCNC(=O)CNC1CCCCC1 2230a_100000182618_100000183381 [0,1,0,1,0,0|2,0,0]=4 19839 B13R1.42 CCNC(=O)CNC1CCCCC1 270004a_100016988866_100000210434 [0,1,0,1,0,0|2,0,0]=4 19840 B13R1.42 CCNC(=O)CNC1CCCCC1 34a_100000182618_100000183381 [0,1,0,1,0,0|2,0,0]=4 19841 B13R1.42 CCNC(=O)COC1CCCCC1 11a_100015525214_100011223303 [0,1,0,1,0,0|2,0,0]=4 19842 B13R1.42 CCNC(=O)COC1CCCCC1 240690a_100015525214_100011223303 [0,1,0,1,0,0|2,0,0]=4 19843 B13R1.42 CCNC(=O)COC1CCCCC1 34a_100000210231_100000183381 [0,1,0,1,0,0|2,0,0]=4 19844 B13R1.42 CCNC(=O)COC1CCCCC1 527a_100015525214_100011223303 [0,1,0,1,0,0|2,0,0]=4 19845 B13R1.42 CCNC(=O)COC1CCCCC1 7a_100000210231_100000183381 [0,1,0,1,0,0|2,0,0]=4 19846 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000183381_100000210327 [0,1,0,1,0,0|2,0,0]=4 19847 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000210327_100000183381 [0,1,0,1,0,0|2,0,0]=4 19848 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100000210473_100015525214 [0,1,0,1,0,0|2,0,0]=4 19849 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100015525214_100000210473 [0,1,0,1,0,0|2,0,0]=4 19850 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100000210473_100015525214 [0,1,0,1,0,0|2,0,0]=4 19851 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100015525214_100000210473 [0,1,0,1,0,0|2,0,0]=4 19852 B13R1.42 CCNC(=O)NCC1CCCCC1 512a_100015525214_100000210473 [0,1,0,1,0,0|2,0,0]=4 19853 B13R1.42 CCOC(=O)CCN1CCCOC1 2230a_100000131196_100011206558 [0,1,0,1,0,0|2,0,0]=4 19854 B13R1.42 CCOC(=O)CCN1CCCOC1 269982a_100000131196_100011206558 [0,1,0,1,0,0|2,0,0]=4 19855 B13R1.42 CCOC(=O)CCN1CCCOC1 34a_100000131196_100000765890 [0,1,0,1,0,0|2,0,0]=4 19856 B13R1.42 CCOC(=O)CCN1CCOCC1 2230a_100015191051_100011206558 [0,1,0,1,0,0|2,0,0]=4 19857 B13R1.42 CCOC(=O)CCN1CCOCC1 269982a_100015191051_100011206558 [0,1,0,1,0,0|2,0,0]=4 19858 B13R1.42 CCOC(=O)CCN1CCOCC1 34a_100015191051_100000765890 [0,1,0,1,0,0|2,0,0]=4 19859 B13R1.42 CCOC(=O)CCN1CCSCC1 2230a_100000737611_100011206558 [0,1,0,1,0,0|2,0,0]=4 19860 B13R1.42 CCOC(=O)CCN1CCSCC1 269982a_100000737611_100011206558 [0,1,0,1,0,0|2,0,0]=4 19861 B13R1.42 CCOC(=O)CNC1CCCCC1 2230a_100000182618_100000188475 [0,1,0,1,0,0|1,0,0]=3 19862 B13R1.42 CCOC(=O)CNC1CCCCC1 34a_100000182618_100000188475 [0,1,0,1,0,0|1,0,0]=3 19863 B13R1.42 CCOC(=O)CNC1CCCOC1 2230a_100000719290_100000188475 [0,1,0,1,0,0|2,0,0]=4 19864 B13R1.42 CCOC(=O)CNC1CCCOC1 34a_100000719290_100000188475 [0,1,0,1,0,0|2,0,0]=4 19865 B13R1.42 CCOC(=O)CNC1CCOCC1 2230a_100000741149_100000188475 [0,1,0,1,0,0|2,0,0]=4 19866 B13R1.42 CCOC(=O)CNC1CCOCC1 34a_100000741149_100000188475 [0,1,0,1,0,0|2,0,0]=4 19867 B13R1.42 CCOC(=O)CNC1CCSCC1 2230a_100000748639_100000188475 [0,1,0,1,0,0|2,0,0]=4 19868 B13R1.42 CCOC(=O)CNC1CCSCC1 34a_100000748639_100000188475 [0,1,0,1,0,0|2,0,0]=4 19869 B13R1.42 CCOC(=O)COC1CCCCC1 34a_100000210231_100000188475 [0,1,0,1,0,0|1,0,0]=3 19870 B13R1.42 CCOC(=O)COC1CCCCC1 7a_100000210231_100000188475 [0,1,0,1,0,0|1,0,0]=3 19871 B13R1.42 CCOC(=O)COC1CCCCO1 34a_100000033831_100000188475 [0,1,0,1,0,0|2,0,0]=4 19872 B13R1.42 CCOC(=O)COC1CCCOC1 34a_100000754041_100000188475 [0,1,0,1,0,0|2,0,0]=4 19873 B13R1.42 CCOC(=O)COC1CCCSC1 7a_100015962668_100000188475 [0,1,0,1,0,0|2,0,0]=4 19874 B13R1.42 CCOC(=O)COC1CCOCC1 34a_100000744328_100000188475 [0,1,0,1,0,0|2,0,0]=4 19875 B13R1.42 CCOC(=O)COC1CCSCC1 34a_100000731022_100000188475 [0,1,0,1,0,0|2,0,0]=4 19876 B13R1.42 CCOC(=O)COC1CCSCC1 7a_100000731022_100000188475 [0,1,0,1,0,0|2,0,0]=4 19877 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000188475_100000210327 [0,1,0,1,0,0|1,0,0]=3 19878 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000210327_100000188475 [0,1,0,1,0,0|1,0,0]=3 19879 B13R1.42 CCOC(=O)CSC1CCCOC1 62a_100000188475_100000693364 [0,1,0,1,0,0|2,0,0]=4 19880 B13R1.42 CCOC(=O)CSC1CCOCC1 62a_100000188475_100011324220 [0,1,0,1,0,0|2,0,0]=4 19881 B13R1.42 CCOC(=O)CSC1CCSCC1 62a_100000188475_100000069128 [0,1,0,1,0,0|2,0,0]=4 19882 B13R1.42 CNCC(=O)NCC1CCCCC1 2230a_106832991635_100000183341 [0,1,0,1,0,0|2,0,0]=4 19883 B13R1.42 CNCC(=O)NCC1CCCCC1 34a_100102657272_100000183341 [0,1,0,1,0,0|2,0,0]=4 19884 B13R1.42 CNCC(=O)NCC1CCCCC1 7a_106832991635_100000183341 [0,1,0,1,0,0|2,0,0]=4 19885 B13R1.42 CNNC(=O)CCC1CCCCC1 22a_100016993582_100000211375 [0,1,0,1,0,0|1,0,0]=3 19886 B13R1.42 CNNC(=O)CCN1CCCCC1 22a_100016993582_100000743487 [0,1,0,1,0,0|2,0,0]=4 19887 B13R1.42 CNNC(=O)COC1CCCCC1 22a_100016993582_100011223303 [0,1,0,1,0,0|2,0,0]=4 19888 B13R1.42 CNNC(=O)NCC1CCCCC1 273464a_100000210473_100016993582 [0,1,0,1,0,0|2,0,0]=4 19889 B13R1.42 CNNC(=O)NCC1CCCCC1 512a_100016993582_100000210473 [0,1,0,1,0,0|2,0,0]=4 19890 B13R1.42 COCC(=O)CCC1CCCCC1 1458a_100000210968_100011273959 [0,1,0,1,0,0|0,0,0]=2 19891 B13R1.42 COCC(=O)CCC1CCOCC1 1458a_100000210968_100011934994 [0,1,0,1,0,0|1,0,0]=3 19892 B13R1.42 COCC(=O)CCC1OCCCO1 1458a_100000210968_100000764188 [0,1,0,1,0,0|2,0,0]=4 19893 B13R1.42 COCC(=O)CCN1CCCCC1 1458a_100000210968_100000739454 [0,1,0,1,0,0|1,0,0]=3 19894 B13R1.42 COCC(=O)CCN1CCOCC1 1458a_100000210968_100000753993 [0,1,0,1,0,0|2,0,0]=4 19895 B13R1.42 COCC(=O)COC1CCCCC1 1458a_100000210968_100011935260 [0,1,0,1,0,0|1,0,0]=3 19896 B13R1.42 COCC(=O)NCC1CCCCC1 11a_100000210473_100000210968 [0,1,0,1,0,0|1,0,0]=3 19897 B13R1.42 COCC(=O)NCC1CCCCC1 1626a_100000210473_100000210968 [0,1,0,1,0,0|1,0,0]=3 19898 B13R1.42 COCC(=O)NCC1CCCCC1 240690a_100000210473_100000210968 [0,1,0,1,0,0|1,0,0]=3 19899 B13R1.42 COCC(=O)NCC1CCCCC1 34a_100138415774_100000183341 [0,1,0,1,0,0|1,0,0]=3 19900 B13R1.42 COCC(=O)NCC1CCCCC1 527a_100000210473_100000210968 [0,1,0,1,0,0|1,0,0]=3 19901 B13R1.42 COCC(=O)NCC1CCCCO1 11a_100000174945_100000210968 [0,1,0,1,0,0|2,0,0]=4 19902 B13R1.42 COCC(=O)NCC1CCCCO1 1626a_100000174945_100000210968 [0,1,0,1,0,0|2,0,0]=4 19903 B13R1.42 COCC(=O)NCC1CCCCO1 240690a_100000174945_100000210968 [0,1,0,1,0,0|2,0,0]=4 19904 B13R1.42 COCC(=O)NCC1CCCCO1 527a_100000174945_100000210968 [0,1,0,1,0,0|2,0,0]=4 19905 B13R1.42 COCC(=O)NCC1CCCOC1 11a_100000720124_100000210968 [0,1,0,1,0,0|2,0,0]=4 19906 B13R1.42 COCC(=O)NCC1CCCOC1 1626a_100000720124_100000210968 [0,1,0,1,0,0|2,0,0]=4 19907 B13R1.42 COCC(=O)NCC1CCCOC1 240690a_100000720124_100000210968 [0,1,0,1,0,0|2,0,0]=4 19908 B13R1.42 COCC(=O)NCC1CCCOC1 527a_100000720124_100000210968 [0,1,0,1,0,0|2,0,0]=4 19909 B13R1.42 COCC(=O)NCC1CCOCC1 11a_100000746373_100000210968 [0,1,0,1,0,0|2,0,0]=4 19910 B13R1.42 COCC(=O)NCC1CCOCC1 1626a_100000746373_100000210968 [0,1,0,1,0,0|2,0,0]=4 19911 B13R1.42 COCC(=O)NCC1CCOCC1 240690a_100000746373_100000210968 [0,1,0,1,0,0|2,0,0]=4 19912 B13R1.42 COCC(=O)NCC1CCOCC1 527a_100000746373_100000210968 [0,1,0,1,0,0|2,0,0]=4 19913 B13R1.42 COCC(=O)NCC1CCSCC1 11a_100015188806_100000210968 [0,1,0,1,0,0|2,0,0]=4 19914 B13R1.42 COCC(=O)NCC1CCSCC1 240690a_100015188806_100000210968 [0,1,0,1,0,0|2,0,0]=4 19915 B13R1.42 COCC(=O)NCC1CCSCC1 527a_100015188806_100000210968 [0,1,0,1,0,0|2,0,0]=4 19916 B13R1.42 COCC(=O)NNC1CCCCC1 22a_100000709804_100000210968 [0,1,0,1,0,0|2,0,0]=4 19917 B13R1.42 CSCC(=O)CCC1CCCCC1 1458a_100000184570_100011273959 [0,1,0,1,0,0|0,1,0]=3 19918 B13R1.42 CSCC(=O)CCC1CCOCC1 1458a_100000184570_100011934994 [0,1,0,1,0,0|1,1,0]=4 19919 B13R1.42 CSCC(=O)CCN1CCCCC1 1458a_100000184570_100000739454 [0,1,0,1,0,0|1,1,0]=4 19920 B13R1.42 CSCC(=O)COC1CCCCC1 1458a_100000184570_100011935260 [0,1,0,1,0,0|1,1,0]=4 19921 B13R1.42 CSCC(=O)NCC1CCCCC1 11a_100000210473_100000184570 [0,1,0,1,0,0|1,1,0]=4 19922 B13R1.42 CSCC(=O)NCC1CCCCC1 1626a_100000210473_100000184570 [0,1,0,1,0,0|1,1,0]=4 19923 B13R1.42 CSCC(=O)NCC1CCCCC1 240690a_100000210473_100000184570 [0,1,0,1,0,0|1,1,0]=4 19924 B13R1.42 CSCC(=O)NCC1CCCCC1 527a_100000210473_100000184570 [0,1,0,1,0,0|1,1,0]=4 19925 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_100000183341_200000210301 [0,1,0,1,0,0|1,1,0]=4 19926 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_200000210301_100000183341 [0,1,0,1,0,0|1,1,0]=4 19927 B13R1.42 N#CCC(=O)CCC1CCCCC1 1458a_100000211375_100011214920 [0,1,0,1,0,0|1,0,1]=4 19928 B13R1.42 N#CCC(=O)CCC1CCCCC1 1458a_100051588842_100011273959 [0,1,0,1,0,0|1,0,1]=4 19929 B13R1.42 O=C(C=CBr)CCC1CCCCC1 1458a_100016273825_100011273959 [0,1,0,1,0,0|1,0,1]=4 19930 B13R1.42 O=C(C=CCl)CCC1CCCCC1 1458a_200016279998_100011273959 [0,1,0,1,0,0|1,0,1]=4 19931 B13R1.42 O=C(C=CI)CCC1CCCCC1 1458a_100016256311_100011273959 [0,1,0,1,0,0|1,0,1]=4 19932 B13R1.42 O=C(CCF)CCC1CCCCC1 1458a_100000211375_100011217306 [0,1,0,1,0,0|1,0,0]=3 19933 B13R1.42 O=C(CCF)CCN1CCCCC1 1458a_100000743487_100011217306 [0,1,0,1,0,0|2,0,0]=4 19934 B13R1.42 O=C(CCF)COC1CCCCC1 1458a_100011223303_100011217306 [0,1,0,1,0,0|2,0,0]=4 19935 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100000211375_100000211926 [0,1,0,1,0,0|1,0,0]=3 19936 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100011216618_100011273959 [0,1,0,1,0,0|1,0,0]=3 19937 B13R1.42 O=C(CCO)CCC1CCOCC1 1458a_100011216618_100011934994 [0,1,0,1,0,0|2,0,0]=4 19938 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100000743487_100000211926 [0,1,0,1,0,0|2,0,0]=4 19939 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100011216618_100000739454 [0,1,0,1,0,0|2,0,0]=4 19940 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011216618_100011935260 [0,1,0,1,0,0|2,0,0]=4 19941 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011223303_100000211926 [0,1,0,1,0,0|2,0,0]=4 19942 B13R1.42 O=C(CCO)NCC1CCCCC1 240690a_100000210473_100011216618 [0,1,0,1,0,0|2,0,0]=4 19943 B13R1.42 O=C(CNC1CCCCC1)NCO 2230a_100000182618_100000185155 [0,1,0,1,0,0|2,0,0]=4 19944 B13R1.42 O=C(CNC1CCCCC1)NCO 34a_100000182618_100000185155 [0,1,0,1,0,0|2,0,0]=4 19945 B13R1.42 O=C(COC1CCCCC1)NCO 34a_100000210231_100000185155 [0,1,0,1,0,0|2,0,0]=4 19946 B13R1.42 O=C(COC1CCCCC1)NCO 7a_100000210231_100000185155 [0,1,0,1,0,0|2,0,0]=4 19947 B13R1.42 O=C(CSC1CCCCC1)NCO 62a_100000185155_100000210327 [0,1,0,1,0,0|2,0,0]=4 19948 B13R1.42 O=C(CSC1CCCCC1)NCO 62a_100000210327_100000185155 [0,1,0,1,0,0|2,0,0]=4 19949 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_100000183341_200025704644 [0,1,0,1,0,0|1,1,0]=4 19950 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_200025704644_100000183341 [0,1,0,1,0,0|1,1,0]=4 19951 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210303 [0,1,0,1,0,0|2,0,0]=4 19952 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210303 [0,1,0,1,0,0|2,0,0]=4 19953 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210303 [0,1,0,1,0,0|2,0,0]=4 19954 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210303 [0,1,0,1,0,0|1,0,0]=3 19955 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210303 [0,1,0,1,0,0|1,0,0]=3 19956 B13R1.208 CCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210303 [0,1,0,1,0,0|2,0,0]=4 19957 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCF 2230a_100000703725_100011217306 [0,1,0,1,0,0|2,0,0]=4 19958 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCF 269982a_100000703725_100011217306 [0,1,0,1,0,0|2,0,0]=4 19959 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCO 2230a_100000703725_100000211926 [0,1,0,1,0,0|2,0,0]=4 19960 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCO 269982a_100000703725_100000211926 [0,1,0,1,0,0|2,0,0]=4 19961 B13R1.208 CCOC(=O)[C@@H]1CCCN1COC 2230a_100000703725_100000766300 [0,1,0,1,0,0|2,0,0]=4 19962 B13R1.208 CCOC(=O)[C@@H]1CCCN1COC 269982a_100000703725_100000766300 [0,1,0,1,0,0|2,0,0]=4 19963 B13R1.208 CCOC(=O)[C@@H]1CCCN1CSC 2230a_100000703725_100011218213 [0,1,0,1,0,0|2,0,0]=4 19964 B13R1.208 CCOC(=O)[C@@H]1CCCN1CSC 269982a_100000703725_100011218213 [0,1,0,1,0,0|2,0,0]=4 19965 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCC 7a_200015395474_100000210202 [0,1,0,1,0,0|1,0,0]=3 19966 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCF 7a_200015395474_100015361967 [0,1,0,1,0,0|2,0,0]=4 19967 B13R1.208 COCC(=O)N1CCC[C@H]1COC 11a_100020646714_100000210968 [0,1,0,1,0,0|2,0,0]=4 19968 B13R1.208 COCC(=O)N1CCC[C@H]1COC 1626a_100020646714_100000210968 [0,1,0,1,0,0|2,0,0]=4 19969 B13R1.208 COCC(=O)N1CCC[C@H]1COC 240690a_100020646714_100000210968 [0,1,0,1,0,0|2,0,0]=4 19970 B13R1.223 CCOC(=O)CN1CCC1COC 2230a_100015195929_100000188475 [0,1,0,1,0,0|2,0,0]=4 19971 B13R1.223 CCOC(=O)CN1CCC1COC 269982a_100015195929_100000188475 [0,1,0,1,0,0|2,0,0]=4 19972 B13R1.223 CCOC(=O)CN1CCC1COC 34a_100015195929_100000188475 [0,1,0,1,0,0|2,0,0]=4 19973 B13R1.404 C#CCC(=O)CCCC1CCCC1 1458a_100011220946_100011713738 [0,1,0,1,0,0|1,0,1]=4 19974 B13R1.404 C=CCC(=O)CCCC1CCCC1 1458a_100000210193_100011713738 [0,1,0,1,0,0|1,0,1]=4 19975 B13R1.404 C=COC(=O)CNCC1CCCC1 2230a_100000737975_100000036128 [0,1,0,1,0,0|1,0,1]=4 19976 B13R1.404 C=COC(=O)CNCC1CCCC1 34a_100000737975_100000036128 [0,1,0,1,0,0|1,0,1]=4 19977 B13R1.404 C=COC(=O)COCC1CCCC1 34a_100000742336_100000036128 [0,1,0,1,0,0|1,0,1]=4 19978 B13R1.404 C=COC(=O)CSCC1CCCC1 62a_100000036128_100000740388 [0,1,0,1,0,0|1,0,1]=4 19979 B13R1.404 C=COC(=O)CSCC1CCCC1 62a_100000740388_100000036128 [0,1,0,1,0,0|1,0,1]=4 19980 B13R1.404 CC#CC(=O)CCCC1CCCC1 1458a_100000763181_100011713738 [0,1,0,1,0,0|1,0,0]=3 19981 B13R1.404 CC#CC(=O)CCCN1CCCC1 1458a_100000763181_100011445909 [0,1,0,1,0,0|2,0,0]=4 19982 B13R1.404 CC=CC(=O)CCCC1CCCC1 1458a_100000210699_100011713738 [0,1,0,1,0,0|1,0,0]=3 19983 B13R1.404 CC=CC(=O)CCCN1CCCC1 1458a_100000210699_100011445909 [0,1,0,1,0,0|2,0,0]=4 19984 B13R1.404 CC=CC(=O)NCCC1CCCC1 11a_100000739158_100000210699 [0,1,0,1,0,0|2,0,0]=4 19985 B13R1.404 CC=CC(=O)NCCC1CCCC1 1626a_100000739158_100000210699 [0,1,0,1,0,0|2,0,0]=4 19986 B13R1.404 CC=CC(=O)NCCC1CCCC1 240690a_100000739158_100000210699 [0,1,0,1,0,0|2,0,0]=4 19987 B13R1.404 CCCC(=O)CCCC1CCCC1 1458a_100000211992_100011713738 [0,1,0,1,0,0|1,0,0]=3 19988 B13R1.404 CCCC(=O)CCCN1CCCC1 1458a_100000211992_100011445909 [0,1,0,1,0,0|2,0,0]=4 19989 B13R1.404 CCCC(=O)CCCN1CCCC1 1458a_100000743284_100000210303 [0,1,0,1,0,0|2,0,0]=4 19990 B13R1.404 CCCC(=O)CNCC1CCCC1 2230a_100000737975_100000747444 [0,1,0,1,0,0|2,0,0]=4 19991 B13R1.404 CCCC(=O)COCC1CCCC1 7a_100000742336_100000747444 [0,1,0,1,0,0|2,0,0]=4 19992 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000740388_100000747444 [0,1,0,1,0,0|2,0,0]=4 19993 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000747444_100000740388 [0,1,0,1,0,0|2,0,0]=4 19994 B13R1.404 CCCC(=O)NCCC1CCCC1 11a_100000739158_100000211992 [0,1,0,1,0,0|2,0,0]=4 19995 B13R1.404 CCCC(=O)NCCC1CCCC1 1626a_100000739158_100000211992 [0,1,0,1,0,0|2,0,0]=4 19996 B13R1.404 CCCC(=O)NCCC1CCCC1 240690a_100000739158_100000211992 [0,1,0,1,0,0|2,0,0]=4 19997 B13R1.404 CCCC(=O)NCCC1CCCC1 527a_100000739158_100000211992 [0,1,0,1,0,0|2,0,0]=4 19998 B13R1.404 CCNC(=O)CCCN1CCCC1 240690a_100015525214_100000743284 [0,1,0,1,0,0|2,0,0]=4 19999 B13R1.404 CCNC(=O)CCNC1CCCC1 2230a_100000211070_100000737597 [0,1,0,1,0,0|2,0,0]=4 20000 B13R1.404 CCNC(=O)CCNC1CCCC1 270004a_100025743525_100000210133 [0,1,0,1,0,0|2,0,0]=4 20001 B13R1.404 CCNC(=O)CCNC1CCCC1 34a_100025743525_100000179811 [0,1,0,1,0,0|2,0,0]=4 20002 B13R1.404 CCNC(=O)CCOC1CCCC1 7a_100000210269_100000737597 [0,1,0,1,0,0|2,0,0]=4 20003 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100000737597_100000179811 [0,1,0,1,0,0|2,0,0]=4 20004 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100011217020_100000737597 [0,1,0,1,0,0|2,0,0]=4 20005 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100000737975_100000183381 [0,1,0,1,0,0|2,0,0]=4 20006 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100016988866_100000740388 [0,1,0,1,0,0|2,0,0]=4 20007 B13R1.404 CCNC(=O)CNCC1CCCC1 34a_100000737975_100000183381 [0,1,0,1,0,0|2,0,0]=4 20008 B13R1.404 CCNC(=O)COCC1CCCC1 34a_100000742336_100000183381 [0,1,0,1,0,0|2,0,0]=4 20009 B13R1.404 CCNC(=O)COCC1CCCC1 7a_100000742336_100000183381 [0,1,0,1,0,0|2,0,0]=4 20010 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000183381_100000740388 [0,1,0,1,0,0|2,0,0]=4 20011 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000740388_100000183381 [0,1,0,1,0,0|2,0,0]=4 20012 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100000739158_100015525214 [0,1,0,1,0,0|2,0,0]=4 20013 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100015525214_100000739158 [0,1,0,1,0,0|2,0,0]=4 20014 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100000739158_100015525214 [0,1,0,1,0,0|2,0,0]=4 20015 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100015525214_100000739158 [0,1,0,1,0,0|2,0,0]=4 20016 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100000739158_100015525214 [0,1,0,1,0,0|2,0,0]=4 20017 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100015525214_100000739158 [0,1,0,1,0,0|2,0,0]=4 20018 B13R1.404 CCOC(=O)CCCN1CCCC1 2230a_100000188435_100009991533 [0,1,0,1,0,0|1,0,0]=3 20019 B13R1.404 CCOC(=O)CCCN1CCCC1 269982a_100000188435_100009991533 [0,1,0,1,0,0|1,0,0]=3 20020 B13R1.404 CCOC(=O)CCCN1CCSC1 2230a_100011215254_100009991533 [0,1,0,1,0,0|2,0,0]=4 20021 B13R1.404 CCOC(=O)CCCN1CCSC1 269982a_100011215254_100009991533 [0,1,0,1,0,0|2,0,0]=4 20022 B13R1.404 CCOC(=O)CCNC1CCCC1 2230a_100000211070_100011206558 [0,1,0,1,0,0|1,0,0]=3 20023 B13R1.404 CCOC(=O)CCNC1CCCC1 34a_100000211070_100000765890 [0,1,0,1,0,0|1,0,0]=3 20024 B13R1.404 CCOC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100011206558 [0,1,0,1,0,0|2,0,0]=4 20025 B13R1.404 CCOC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100011206558 [0,1,0,1,0,0|2,0,0]=4 20026 B13R1.404 CCOC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000765890 [0,1,0,1,0,0|2,0,0]=4 20027 B13R1.404 CCOC(=O)CCOC1CCCC1 34a_100000210269_100000765890 [0,1,0,1,0,0|1,0,0]=3 20028 B13R1.404 CCOC(=O)CCOC1CCCC1 7a_100000210269_100011206558 [0,1,0,1,0,0|1,0,0]=3 20029 B13R1.404 CCOC(=O)CCOC1CCCO1 34a_100000085407_100000765890 [0,1,0,1,0,0|2,0,0]=4 20030 B13R1.404 CCOC(=O)CCOC1CCSC1 7a_100011232664_100011206558 [0,1,0,1,0,0|2,0,0]=4 20031 B13R1.404 CCOC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000765890 [0,1,0,1,0,0|2,0,0]=4 20032 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100000765890_100000179811 [0,1,0,1,0,0|1,0,0]=3 20033 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100011217020_100000765890 [0,1,0,1,0,0|1,0,0]=3 20034 B13R1.404 CCOC(=O)CCSC1CCOC1 62a_100000765890_100000690089 [0,1,0,1,0,0|2,0,0]=4 20035 B13R1.404 CCOC(=O)CNCC1CCCC1 2230a_100000737975_100000188475 [0,1,0,1,0,0|1,0,0]=3 20036 B13R1.404 CCOC(=O)CNCC1CCCC1 34a_100000737975_100000188475 [0,1,0,1,0,0|1,0,0]=3 20037 B13R1.404 CCOC(=O)CNCC1CCOC1 2230a_100000737293_100000188475 [0,1,0,1,0,0|2,0,0]=4 20038 B13R1.404 CCOC(=O)CNCC1CCOC1 34a_100000737293_100000188475 [0,1,0,1,0,0|2,0,0]=4 20039 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000188475 [0,1,0,1,0,0|2,0,0]=4 20040 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000188475 [0,1,0,1,0,0|2,0,0]=4 20041 B13R1.404 CCOC(=O)COCC1CCCC1 34a_100000742336_100000188475 [0,1,0,1,0,0|1,0,0]=3 20042 B13R1.404 CCOC(=O)COCC1CCCC1 7a_100000742336_100000188475 [0,1,0,1,0,0|1,0,0]=3 20043 B13R1.404 CCOC(=O)COCC1CCCO1 34a_100000210270_100000188475 [0,1,0,1,0,0|2,0,0]=4 20044 B13R1.404 CCOC(=O)COCC1CCCO1 7a_100000210270_100000188475 [0,1,0,1,0,0|2,0,0]=4 20045 B13R1.404 CCOC(=O)COCC1CCNC1 34a_100000748654_100000188475 [0,1,0,1,0,0|2,0,0]=4 20046 B13R1.404 CCOC(=O)COCC1CCOC1 34a_100000740260_100000188475 [0,1,0,1,0,0|2,0,0]=4 20047 B13R1.404 CCOC(=O)COC[C@H]1CCCN1 34a_100000745186_100000188475 [0,1,0,1,0,0|2,0,0]=4 20048 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000188475_100000740388 [0,1,0,1,0,0|1,0,0]=3 20049 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000740388_100000188475 [0,1,0,1,0,0|1,0,0]=3 20050 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000188475_100000203698 [0,1,0,1,0,0|2,0,0]=4 20051 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000203698_100000188475 [0,1,0,1,0,0|2,0,0]=4 20052 B13R1.404 CCOC(=O)CSCC1CCOC1 62a_100000188475_100000702531 [0,1,0,1,0,0|2,0,0]=4 20053 B13R1.404 CCOC(=O)CSCC1CCOC1 62a_100000702531_100000188475 [0,1,0,1,0,0|2,0,0]=4 20054 B13R1.404 CCOC(=O)NCCN1CCCC1 269982a_100000188435_200011445536 [0,1,0,1,0,0|2,0,0]=4 20055 B13R1.404 CCOC(=O)OCSC1CCCC1 62a_100011217020_100000075025 [0,1,0,1,0,0|2,0,0]=4 20056 B13R1.404 CNNC(=O)CCCN1CCCC1 22a_100016993582_100000743284 [0,1,0,1,0,0|2,0,0]=4 20057 B13R1.404 CNNC(=O)NCCC1CCCC1 273464a_100000739158_100016993582 [0,1,0,1,0,0|2,0,0]=4 20058 B13R1.404 CNNC(=O)NCCC1CCCC1 512a_100000739158_100016993582 [0,1,0,1,0,0|2,0,0]=4 20059 B13R1.404 CNNC(=O)NCCC1CCCC1 512a_100016993582_100000739158 [0,1,0,1,0,0|2,0,0]=4 20060 B13R1.404 COCC(=O)CCCC1CCCC1 1458a_100000210968_100011713738 [0,1,0,1,0,0|0,0,0]=2 20061 B13R1.404 COCC(=O)CCCC1OCCO1 1458a_100000210968_100000042513 [0,1,0,1,0,0|2,0,0]=4 20062 B13R1.404 COCC(=O)CCCN1CCCC1 1458a_100000210968_100011445909 [0,1,0,1,0,0|1,0,0]=3 20063 B13R1.404 COCC(=O)NCCC1CCCC1 11a_100000739158_100000210968 [0,1,0,1,0,0|1,0,0]=3 20064 B13R1.404 COCC(=O)NCCC1CCCC1 1626a_100000739158_100000210968 [0,1,0,1,0,0|1,0,0]=3 20065 B13R1.404 COCC(=O)NCCC1CCCC1 240690a_100000739158_100000210968 [0,1,0,1,0,0|1,0,0]=3 20066 B13R1.404 COCC(=O)NCCC1CCCC1 527a_100000739158_100000210968 [0,1,0,1,0,0|1,0,0]=3 20067 B13R1.404 COCC(=O)NCCN1CCCC1 240690a_100000212299_100000210968 [0,1,0,1,0,0|2,0,0]=4 20068 B13R1.404 COCN(C)CCCC1CCCC1 2230a_100015186261_100000766300 [0,1,0,1,0,0|2,0,0]=4 20069 B13R1.404 COCN(C)CCCC1CCCC1 269982a_100015186261_100000766300 [0,1,0,1,0,0|2,0,0]=4 20070 B13R1.404 CSCC(=O)CCCC1CCCC1 1458a_100000184570_100011713738 [0,1,0,1,0,0|0,1,0]=3 20071 B13R1.404 CSCC(=O)CCCN1CCCC1 1458a_100000184570_100011445909 [0,1,0,1,0,0|1,1,0]=4 20072 B13R1.404 CSCC(=O)NCCC1CCCC1 11a_100000739158_100000184570 [0,1,0,1,0,0|1,1,0]=4 20073 B13R1.404 CSCC(=O)NCCC1CCCC1 1626a_100000739158_100000184570 [0,1,0,1,0,0|1,1,0]=4 20074 B13R1.404 CSCC(=O)NCCC1CCCC1 240690a_100000739158_100000184570 [0,1,0,1,0,0|1,1,0]=4 20075 B13R1.404 CSCC(=O)NCCC1CCCC1 527a_100000739158_100000184570 [0,1,0,1,0,0|1,1,0]=4 20076 B13R1.404 N#CCC(=O)CCCC1CCCC1 1458a_100051588842_100011713738 [0,1,0,1,0,0|1,0,1]=4 20077 B13R1.404 O=C(C=CBr)CCCC1CCCC1 1458a_100016273825_100011713738 [0,1,0,1,0,0|1,0,1]=4 20078 B13R1.404 O=C(C=CCl)CCCC1CCCC1 1458a_200016279998_100011713738 [0,1,0,1,0,0|1,0,1]=4 20079 B13R1.404 O=C(C=CI)CCCC1CCCC1 1458a_100016256311_100011713738 [0,1,0,1,0,0|1,0,1]=4 20080 B13R1.404 O=C(CCF)CCCN1CCCC1 1458a_100000743284_100011217306 [0,1,0,1,0,0|2,0,0]=4 20081 B13R1.404 O=C(CCO)CCCC1CCCC1 1458a_100011216618_100011713738 [0,1,0,1,0,0|1,0,0]=3 20082 B13R1.404 O=C(CCO)CCCN1CCCC1 1458a_100000743284_100000211926 [0,1,0,1,0,0|2,0,0]=4 20083 B13R1.404 O=C(CCO)CCCN1CCCC1 1458a_100011216618_100011445909 [0,1,0,1,0,0|2,0,0]=4 20084 B13R1.404 O=C(CCO)NCCC1CCCC1 240690a_100000739158_100011216618 [0,1,0,1,0,0|2,0,0]=4 20085 B13R1.404 O=C(CNCC1CCCC1)NCO 2230a_100000737975_100000185155 [0,1,0,1,0,0|2,0,0]=4 20086 B13R1.404 O=C(CNCC1CCCC1)NCO 34a_100000737975_100000185155 [0,1,0,1,0,0|2,0,0]=4 20087 B13R1.404 O=C(COCC1CCCC1)NCO 34a_100000742336_100000185155 [0,1,0,1,0,0|2,0,0]=4 20088 B13R1.404 O=C(COCC1CCCC1)NCO 7a_100000742336_100000185155 [0,1,0,1,0,0|2,0,0]=4 20089 B13R1.404 O=C(CSCC1CCCC1)NCO 62a_100000185155_100000740388 [0,1,0,1,0,0|2,0,0]=4 20090 B13R1.404 O=C(CSCC1CCCC1)NCO 62a_100000740388_100000185155 [0,1,0,1,0,0|2,0,0]=4 20091 B13R1.443 C=COC(=O)CN1CCCC1CC 2230a_100000754278_100000036128 [0,1,0,1,0,0|1,0,1]=4 20092 B13R1.443 C=COC(=O)CN1CCCC1CC 269982a_100000754278_100000036128 [0,1,0,1,0,0|1,0,1]=4 20093 B13R1.443 C=COC(=O)CN1CCCC1CC 34a_100000754278_100000036128 [0,1,0,1,0,0|1,0,1]=4 20094 B13R1.443 CCC1CCCN1CC(=O)NCO 2230a_100000754278_100000185155 [0,1,0,1,0,0|2,0,0]=4 20095 B13R1.443 CCC1CCCN1CC(=O)NCO 269982a_100000754278_100000185155 [0,1,0,1,0,0|2,0,0]=4 20096 B13R1.443 CCC1CCCN1CC(=O)NCO 34a_100000754278_100000185155 [0,1,0,1,0,0|2,0,0]=4 20097 B13R1.443 CCCC(=O)CN1CCCC1CC 2230a_100000754278_100000747444 [0,1,0,1,0,0|2,0,0]=4 20098 B13R1.443 CCCC(=O)CN1CCCC1CC 269982a_100000754278_100000747444 [0,1,0,1,0,0|2,0,0]=4 20099 B13R1.443 CCNC(=O)CN1CCCC1CC 2230a_100000754278_100000183381 [0,1,0,1,0,0|2,0,0]=4 20100 B13R1.443 CCNC(=O)CN1CCCC1CC 269982a_100000754278_100000183381 [0,1,0,1,0,0|2,0,0]=4 20101 B13R1.443 CCNC(=O)CN1CCCC1CC 34a_100000754278_100000183381 [0,1,0,1,0,0|2,0,0]=4 20102 B13R1.443 CCOC(=O)CN1CCCC1CC 2230a_100000754278_100000188475 [0,1,0,1,0,0|1,0,0]=3 20103 B13R1.443 CCOC(=O)CN1CCCC1CC 269982a_100000754278_100000188475 [0,1,0,1,0,0|1,0,0]=3 20104 B13R1.443 CCOC(=O)CN1CCCC1CC 34a_100000754278_100000188475 [0,1,0,1,0,0|1,0,0]=3 20105 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000188475 [0,1,0,1,0,0|2,0,0]=4 20106 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000188475 [0,1,0,1,0,0|2,0,0]=4 20107 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000188475 [0,1,0,1,0,0|2,0,0]=4 20108 B13R1.444 C=COC(=O)COC1CCCC1C 34a_100011216460_100000036128 [0,1,0,1,0,0|1,0,1]=4 20109 B13R1.444 CC#CC(=O)CCC1CCCN1C 1458a_100000763181_100000005710 [0,1,0,1,0,0|2,0,0]=4 20110 B13R1.444 CC1CCCC1OCC(=O)NCO 34a_100011216460_100000185155 [0,1,0,1,0,0|2,0,0]=4 20111 B13R1.444 CC1CCCC1OCC(=O)NCO 7a_100011216460_100000185155 [0,1,0,1,0,0|2,0,0]=4 20112 B13R1.444 CC=CC(=O)CCC1CCCN1C 1458a_100000210699_100000005710 [0,1,0,1,0,0|2,0,0]=4 20113 B13R1.444 CCCC(=O)CCC1CCCN1C 1458a_100000211992_100000005710 [0,1,0,1,0,0|2,0,0]=4 20114 B13R1.444 CCCC(=O)COC1CCCC1C 7a_100011216460_100000747444 [0,1,0,1,0,0|2,0,0]=4 20115 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737597 [0,1,0,1,0,0|2,0,0]=4 20116 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737597 [0,1,0,1,0,0|2,0,0]=4 20117 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737597 [0,1,0,1,0,0|2,0,0]=4 20118 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737597 [0,1,0,1,0,0|2,0,0]=4 20119 B13R1.444 CCNC(=O)COC1CCCC1C 34a_100011216460_100000183381 [0,1,0,1,0,0|2,0,0]=4 20120 B13R1.444 CCNC(=O)COC1CCCC1C 7a_100011216460_100000183381 [0,1,0,1,0,0|2,0,0]=4 20121 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100011206558 [0,1,0,1,0,0|1,0,0]=3 20122 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100011206558 [0,1,0,1,0,0|1,0,0]=3 20123 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100011206558 [0,1,0,1,0,0|1,0,0]=3 20124 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100011206558 [0,1,0,1,0,0|1,0,0]=3 20125 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000765890 [0,1,0,1,0,0|1,0,0]=3 20126 B13R1.444 CCOC(=O)CCN1CCSC1C 2230a_200011216479_100011206558 [0,1,0,1,0,0|2,0,0]=4 20127 B13R1.444 CCOC(=O)CCN1CCSC1C 269982a_200011216479_100011206558 [0,1,0,1,0,0|2,0,0]=4 20128 B13R1.444 CCOC(=O)CCN1CCSC1C 34a_200011216479_100000765890 [0,1,0,1,0,0|2,0,0]=4 20129 B13R1.444 CCOC(=O)COC1CCCC1C 34a_100011216460_100000188475 [0,1,0,1,0,0|1,0,0]=3 20130 B13R1.444 CCOC(=O)COC1CCCC1C 7a_100011216460_100000188475 [0,1,0,1,0,0|1,0,0]=3 20131 B13R1.444 CCOC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000188475 [0,1,0,1,0,0|2,0,0]=4 20132 B13R1.444 CCOC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000188475 [0,1,0,1,0,0|2,0,0]=4 20133 B13R1.444 CCOC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000188475 [0,1,0,1,0,0|2,0,0]=4 20134 B13R1.444 CCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000188475_200016002552 [0,1,0,1,0,0|2,0,0]=4 20135 B13R1.444 CCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000188475 [0,1,0,1,0,0|2,0,0]=4 20136 B13R1.444 CN1CCCC1CCC(=O)CCO 1458a_100011216618_100000005710 [0,1,0,1,0,0|2,0,0]=4 20137 B13R1.444 COCC(=O)CCC1CCCN1C 1458a_100000210968_100000005710 [0,1,0,1,0,0|1,0,0]=3 20138 B13R1.444 COCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000210968 [0,1,0,1,0,0|2,0,0]=4 20139 B13R1.444 COCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000210968 [0,1,0,1,0,0|2,0,0]=4 20140 B13R1.444 CSCC(=O)CCC1CCCN1C 1458a_100000184570_100000005710 [0,1,0,1,0,0|1,1,0]=4 20141 B13R1.447 CCNC(=O)CCOCC1CC1C 7a_100000744939_100000737597 [0,1,0,1,0,0|2,0,0]=4 20142 B13R1.447 CCOC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009991533 [0,1,0,1,0,0|2,0,0]=4 20143 B13R1.447 CCOC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009991533 [0,1,0,1,0,0|2,0,0]=4 20144 B13R1.447 CCOC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100009991533 [0,1,0,1,0,0|2,0,0]=4 20145 B13R1.447 CCOC(=O)CCOCC1CC1C 34a_100000744939_100000765890 [0,1,0,1,0,0|1,0,0]=3 20146 B13R1.447 CCOC(=O)CCOCC1CC1C 7a_100000744939_100011206558 [0,1,0,1,0,0|1,0,0]=3 20147 B13R1.448 CCNC(=O)CCNCC1CCC1 2230a_100000738700_100000737597 [0,1,0,1,0,0|2,0,0]=4 20148 B13R1.448 CCNC(=O)CCNCC1CCC1 269862a_100025743525_100000753134 [0,1,0,1,0,0|2,0,0]=4 20149 B13R1.448 CCNC(=O)CCNCC1CCC1 34a_100025743525_100000763275 [0,1,0,1,0,0|2,0,0]=4 20150 B13R1.448 CCNC(=O)CCSCC1CCC1 62a_100000737597_100000763275 [0,1,0,1,0,0|2,0,0]=4 20151 B13R1.448 CCNC(=O)CCSCC1CCC1 62a_100000763275_100000737597 [0,1,0,1,0,0|2,0,0]=4 20152 B13R1.448 CCOC(=O)CCCCN1CCC1 269982a_100000754969_100000750268 [0,1,0,1,0,0|1,0,0]=3 20153 B13R1.448 CCOC(=O)CCCNC1CCC1 2230a_100000749019_100009991533 [0,1,0,1,0,0|1,0,0]=3 20154 B13R1.448 CCOC(=O)CCCNC1CCC1 34a_100000749019_100009991533 [0,1,0,1,0,0|1,0,0]=3 20155 B13R1.448 CCOC(=O)CCCNC1COC1 2230a_100016991112_100009991533 [0,1,0,1,0,0|2,0,0]=4 20156 B13R1.448 CCOC(=O)CCCOC1CCC1 34a_100000748187_100009991533 [0,1,0,1,0,0|1,0,0]=3 20157 B13R1.448 CCOC(=O)CCCOC1COC1 7a_100012001163_100009818527 [0,1,0,1,0,0|2,0,0]=4 20158 B13R1.448 CCOC(=O)CCCOC1CSC1 7a_100000072292_100011215271 [0,1,0,1,0,0|2,0,0]=4 20159 B13R1.448 CCOC(=O)CCCSC1CCC1 62a_100009991533_100000749161 [0,1,0,1,0,0|1,0,0]=3 20160 B13R1.448 CCOC(=O)CCCSC1COC1 62a_100009991533_100009818527 [0,1,0,1,0,0|2,0,0]=4 20161 B13R1.448 CCOC(=O)CCNCC1CCC1 2230a_100000738700_100011206558 [0,1,0,1,0,0|1,0,0]=3 20162 B13R1.448 CCOC(=O)CCNCC1CCC1 34a_100000738700_100000765890 [0,1,0,1,0,0|1,0,0]=3 20163 B13R1.448 CCOC(=O)CCNCC1COC1 2230a_100015281925_100011206558 [0,1,0,1,0,0|2,0,0]=4 20164 B13R1.448 CCOC(=O)CCNCC1COC1 34a_100015281925_100000765890 [0,1,0,1,0,0|2,0,0]=4 20165 B13R1.448 CCOC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100011206558 [0,1,0,1,0,0|2,0,0]=4 20166 B13R1.448 CCOC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000765890 [0,1,0,1,0,0|2,0,0]=4 20167 B13R1.448 CCOC(=O)CCOCC1CCC1 34a_100000760304_100000765890 [0,1,0,1,0,0|1,0,0]=3 20168 B13R1.448 CCOC(=O)CCOCC1CCO1 34a_100000039022_100000765890 [0,1,0,1,0,0|2,0,0]=4 20169 B13R1.448 CCOC(=O)CCOCC1CNC1 34a_100016987283_100000765890 [0,1,0,1,0,0|2,0,0]=4 20170 B13R1.448 CCOC(=O)CCOCC1COC1 34a_100000060846_100000765890 [0,1,0,1,0,0|2,0,0]=4 20171 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000763275_100000765890 [0,1,0,1,0,0|1,0,0]=3 20172 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000765890_100000763275 [0,1,0,1,0,0|1,0,0]=3 20173 B13R1.448 CCOC(=O)CCSCC1CCO1 62a_100000103362_100000765890 [0,1,0,1,0,0|2,0,0]=4 20174 B13R1.448 CCOC(=O)CCSCC1CCO1 62a_100000765890_100000103362 [0,1,0,1,0,0|2,0,0]=4 20175 B13R1.448 CCOC(=O)CCSCC1COC1 62a_100000765890_100010264016 [0,1,0,1,0,0|2,0,0]=4 20176 B13R1.448 CCOC(=O)CCSCC1COC1 62a_100010264016_100000765890 [0,1,0,1,0,0|2,0,0]=4 20177 B13R1.448 CCOC(=O)COCCC1COC1 34a_100009855314_100000188475 [0,1,0,1,0,0|2,0,0]=4 20178 B13R1.448 CCOC(=O)COCCN1CCC1 269982a_100000754969_100000088970 [0,1,0,1,0,0|2,0,0]=4 20179 B13R1.448 CCOC(=O)NCCOC1CCC1 34a_100000158857_100000749161 [0,1,0,1,0,0|2,0,0]=4 20180 B13R1.448 CCOC(=O)OCSCC1CCC1 62a_100000763275_100000075025 [0,1,0,1,0,0|2,0,0]=4 20181 B13R1.453 CCNC(=O)CCNCCC1CC1 34a_100025743525_100000694398 [0,1,0,1,0,0|2,0,0]=4 20182 B13R1.453 CCNC(=O)CCOCCC1CC1 7a_100000754188_100000737597 [0,1,0,1,0,0|2,0,0]=4 20183 B13R1.453 CCNC(=O)CCSCCC1CC1 62a_100000737597_100000764125 [0,1,0,1,0,0|2,0,0]=4 20184 B13R1.453 CCNC(=O)CCSCCC1CC1 62a_100000764125_100000737597 [0,1,0,1,0,0|2,0,0]=4 20185 B13R1.453 CCOC(=O)CCCCNC1CC1 34a_100000212008_100000750268 [0,1,0,1,0,0|1,0,0]=3 20186 B13R1.453 CCOC(=O)CCCCSC1CC1 62a_100000750268_100000211595 [0,1,0,1,0,0|1,0,0]=3 20187 B13R1.453 CCOC(=O)CCCNCC1CC1 2230a_100000735609_100009991533 [0,1,0,1,0,0|1,0,0]=3 20188 B13R1.453 CCOC(=O)CCCNCC1CC1 34a_100000735609_100009991533 [0,1,0,1,0,0|1,0,0]=3 20189 B13R1.453 CCOC(=O)CCCOCC1CC1 34a_100000211283_100009991533 [0,1,0,1,0,0|1,0,0]=3 20190 B13R1.453 CCOC(=O)CCCOCC1CC1 7a_100012001163_100000742324 [0,1,0,1,0,0|1,0,0]=3 20191 B13R1.453 CCOC(=O)CCCOCC1CO1 7a_100012001163_102125554688 [0,1,0,1,0,0|2,0,0]=4 20192 B13R1.453 CCOC(=O)CCCOCC1CS1 7a_100012001163_100000031435 [0,1,0,1,0,0|2,0,0]=4 20193 B13R1.453 CCOC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100009991533 [0,1,0,1,0,0|2,0,0]=4 20194 B13R1.453 CCOC(=O)CCCOC[C@@H]1CO1 7a_100012001163_100000745022 [0,1,0,1,0,0|2,0,0]=4 20195 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100000756562_100009991533 [0,1,0,1,0,0|1,0,0]=3 20196 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100009991533_100000742324 [0,1,0,1,0,0|1,0,0]=3 20197 B13R1.453 CCOC(=O)CCCSCC1CO1 62a_100009991533_102125554688 [0,1,0,1,0,0|2,0,0]=4 20198 B13R1.453 CCOC(=O)CCCSCC1CO1 62a_102125554688_100009991533 [0,1,0,1,0,0|2,0,0]=4 20199 B13R1.453 CCOC(=O)CCCSCC1CS1 62a_100000031435_100009991533 [0,1,0,1,0,0|2,0,0]=4 20200 B13R1.453 CCOC(=O)CCCSCC1CS1 62a_100009991533_100000031435 [0,1,0,1,0,0|2,0,0]=4 20201 B13R1.453 CCOC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100009991533 [0,1,0,1,0,0|2,0,0]=4 20202 B13R1.453 CCOC(=O)CCCSC[C@@H]1CO1 62a_100009991533_100000745022 [0,1,0,1,0,0|2,0,0]=4 20203 B13R1.453 CCOC(=O)CCNCCC1CC1 34a_100000764129_100000765890 [0,1,0,1,0,0|1,0,0]=3 20204 B13R1.453 CCOC(=O)CCOCCC1CC1 34a_100000754188_100000765890 [0,1,0,1,0,0|1,0,0]=3 20205 B13R1.453 CCOC(=O)CCOCCC1CC1 7a_100000754188_100011206558 [0,1,0,1,0,0|1,0,0]=3 20206 B13R1.453 CCOC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000765890 [0,1,0,1,0,0|2,0,0]=4 20207 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000764125_100000765890 [0,1,0,1,0,0|1,0,0]=3 20208 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000765890_100000764125 [0,1,0,1,0,0|1,0,0]=3 20209 B13R1.453 CCOC(=O)CCSCCC1CO1 62a_100000732470_100000765890 [0,1,0,1,0,0|2,0,0]=4 20210 B13R1.453 CCOC(=O)CCSCCC1CO1 62a_100000765890_100000732470 [0,1,0,1,0,0|2,0,0]=4 20211 B13R1.453 CCOC(=O)COCCNC1CC1 34a_100000212008_100000088970 [0,1,0,1,0,0|2,0,0]=4 20212 B13R1.453 CCOC(=O)COCCNC1CC1 34a_100000738766_100000188475 [0,1,0,1,0,0|2,0,0]=4 20213 B13R1.453 CCOC(=O)COCCSC1CC1 62a_100000088970_100000211595 [0,1,0,1,0,0|2,0,0]=4 20214 B13R1.453 CCOC(=O)CSCCCC1CO1 62a_100000188475_100000733510 [0,1,0,1,0,0|2,0,0]=4 20215 B13R1.453 CCOC(=O)CSCCCC1CO1 62a_100000733510_100000188475 [0,1,0,1,0,0|2,0,0]=4 20216 B13R1.453 CCOC(=O)NCCOCC1CC1 34a_100000158857_100000742324 [0,1,0,1,0,0|2,0,0]=4 20217 B13R1.453 CCOC(=O)NCCSCC1CC1 62a_100000756562_200011445536 [0,1,0,1,0,0|2,0,0]=4 20218 B13R1.453 CCOC(=O)OCSCCC1CC1 62a_100000764125_100000075025 [0,1,0,1,0,0|2,0,0]=4 20219 B13R1.461 CCCC(C)CCOC1CCC1=O 34a_100011217855_100009892977 [0,1,0,1,0,0|2,0,0]=4 20220 B13R1.461 CCCC(C)CCOC1CCC1=O 7a_100011217855_100009892977 [0,1,0,1,0,0|2,0,0]=4 20221 B13R1.461 CCCC(C)NCCC1CCC1=O 2230a_100000741246_200016118888 [0,1,0,1,0,0|2,0,0]=4 20222 B13R1.461 CCCC(C)OCCC1CCC1=O 7a_100000764384_200016118888 [0,1,0,1,0,0|2,0,0]=4 20223 B13R1.461 CCCC(C)SCCC1CCC1=O 62a_100000766640_200016118888 [0,1,0,1,0,0|2,0,0]=4 20224 B13R1.461 CCCC(C)SCCC1CCC1=O 62a_200016118888_100000766640 [0,1,0,1,0,0|2,0,0]=4 20225 B13R1.461 CCC[C@H](N)CCOC1CCC1=O 34a_100015193777_100009892977 [0,1,0,1,0,0|2,0,0]=4 20226 B13R1.461 CCOC(=O)CCCN1CCC1C 269982a_100000755817_100009991533 [0,1,0,1,0,0|1,0,0]=3 20227 B13R1.461 CCOC(=O)CCCN1CCC1C 34a_100000755817_100009991533 [0,1,0,1,0,0|1,0,0]=3 20228 B13R1.461 CCOC(=O)NCCN1CCC1C 269982a_100000755817_200011445536 [0,1,0,1,0,0|2,0,0]=4 20229 B13R1.463 CCCC(=O)C1CCCCCN1C 1458a_100015187800_100000210303 [0,1,0,1,0,0|2,0,0]=4 20230 B13R1.463 CCNC(=O)C1CCCCCN1C 240690a_100015525214_100015187800 [0,1,0,1,0,0|2,0,0]=4 20231 B13R1.463 CCNC(=O)C1CCCCCN1C 527a_100015525214_100015187800 [0,1,0,1,0,0|2,0,0]=4 20232 B13R1.463 CN1CCCCCC1C(=O)CCF 1458a_100015187800_100011217306 [0,1,0,1,0,0|2,0,0]=4 20233 B13R1.463 CN1CCCCCC1C(=O)CCO 1458a_100015187800_100000211926 [0,1,0,1,0,0|2,0,0]=4 20234 B13R1.463 CNNC(=O)C1CCCCCN1C 22a_100016993582_100015187800 [0,1,0,1,0,0|2,0,0]=4 20235 B13R1.463 COCC(=O)C1CCCCCC1=O 1458a_100000210968_100000243696 [0,1,0,1,0,0|1,0,1]=4 20236 B13R1.464 CC=CC(=O)N1CCCCC1CC 11a_100000210034_100000210699 [0,1,0,1,0,0|2,0,0]=4 20237 B13R1.464 CC=CC(=O)N1CCCCC1CC 1626a_100000210034_100000210699 [0,1,0,1,0,0|2,0,0]=4 20238 B13R1.464 CC=CC(=O)N1CCCCC1CC 240690a_100000210034_100000210699 [0,1,0,1,0,0|2,0,0]=4 20239 B13R1.464 CCC1CCCCN1C(=O)CCO 240690a_100000210034_100011216618 [0,1,0,1,0,0|2,0,0]=4 20240 B13R1.464 CCC1CCCCN1C(=O)CNC 2230a_106832991635_100000183412 [0,1,0,1,0,0|2,0,0]=4 20241 B13R1.464 CCC1CCCCN1C(=O)CNC 34a_100102657272_100000183412 [0,1,0,1,0,0|2,0,0]=4 20242 B13R1.464 CCC1CCCCN1C(=O)CNC 7a_106832991635_100000183412 [0,1,0,1,0,0|2,0,0]=4 20243 B13R1.464 CCC1CCCCN1C(=O)COC 11a_100000210034_100000210968 [0,1,0,1,0,0|1,0,0]=3 20244 B13R1.464 CCC1CCCCN1C(=O)COC 1626a_100000210034_100000210968 [0,1,0,1,0,0|1,0,0]=3 20245 B13R1.464 CCC1CCCCN1C(=O)COC 240690a_100000210034_100000210968 [0,1,0,1,0,0|1,0,0]=3 20246 B13R1.464 CCC1CCCCN1C(=O)COC 34a_100138415774_100000183412 [0,1,0,1,0,0|1,0,0]=3 20247 B13R1.464 CCC1CCCCN1C(=O)COC 527a_100000210034_100000210968 [0,1,0,1,0,0|1,0,0]=3 20248 B13R1.464 CCC1CCCCN1C(=O)CSC 11a_100000210034_100000184570 [0,1,0,1,0,0|1,1,0]=4 20249 B13R1.464 CCC1CCCCN1C(=O)CSC 1626a_100000210034_100000184570 [0,1,0,1,0,0|1,1,0]=4 20250 B13R1.464 CCC1CCCCN1C(=O)CSC 240690a_100000210034_100000184570 [0,1,0,1,0,0|1,1,0]=4 20251 B13R1.464 CCC1CCCCN1C(=O)CSC 527a_100000210034_100000184570 [0,1,0,1,0,0|1,1,0]=4 20252 B13R1.464 CCC1CCCCN1C(=O)CSC 62a_100000183412_200000210301 [0,1,0,1,0,0|1,1,0]=4 20253 B13R1.464 CCC1CCCCN1C(=O)CSC 62a_200000210301_100000183412 [0,1,0,1,0,0|1,1,0]=4 20254 B13R1.464 CCC1CCCCN1C(=O)CS[13CH3] 62a_100000183412_200025704644 [0,1,0,1,0,0|1,1,0]=4 20255 B13R1.464 CCC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000183412 [0,1,0,1,0,0|1,1,0]=4 20256 B13R1.464 CCCC(=O)C1CCCCN1CC 1458a_100000743832_100000210303 [0,1,0,1,0,0|2,0,0]=4 20257 B13R1.464 CCCC(=O)N1CCCCC1CC 11a_100000210034_100000211992 [0,1,0,1,0,0|2,0,0]=4 20258 B13R1.464 CCCC(=O)N1CCCCC1CC 1626a_100000210034_100000211992 [0,1,0,1,0,0|2,0,0]=4 20259 B13R1.464 CCCC(=O)N1CCCCC1CC 240690a_100000210034_100000211992 [0,1,0,1,0,0|2,0,0]=4 20260 B13R1.464 CCCC(=O)N1CCCCC1CC 527a_100000210034_100000211992 [0,1,0,1,0,0|2,0,0]=4 20261 B13R1.464 CCN1CCCCC1C(=O)CCF 1458a_100000743832_100011217306 [0,1,0,1,0,0|2,0,0]=4 20262 B13R1.464 CCN1CCCCC1C(=O)CCO 1458a_100000743832_100000211926 [0,1,0,1,0,0|2,0,0]=4 20263 B13R1.464 CCN1CCCCC1C(=O)NNC 22a_100016993582_100000743832 [0,1,0,1,0,0|2,0,0]=4 20264 B13R1.464 CCNC(=O)C1CCCCN1CC 11a_100015525214_100000743832 [0,1,0,1,0,0|2,0,0]=4 20265 B13R1.464 CCNC(=O)C1CCCCN1CC 240690a_100015525214_100000743832 [0,1,0,1,0,0|2,0,0]=4 20266 B13R1.464 CCNC(=O)C1CCCCN1CC 527a_100015525214_100000743832 [0,1,0,1,0,0|2,0,0]=4 20267 B13R1.464 CCNC(=O)N1CCCCC1CC 2708a_100015525214_100000210034 [0,1,0,1,0,0|2,0,0]=4 20268 B13R1.464 CCNC(=O)N1CCCCC1CC 273464a_100015525214_100000210034 [0,1,0,1,0,0|2,0,0]=4 20269 B13R1.464 CCOC(=O)C1CCCCC1OC 7a_100000038711_200000210301 [0,1,0,1,0,0|1,0,0]=3 20270 B13R1.464 CCOC(=O)C1CCCCC1O[13CH3] 7a_100000038711_200025704644 [0,1,0,1,0,0|1,0,0]=3 20271 B13R1.464 CCOC(=O)C1CCCCN1CC 2230a_100016990872_100000210202 [0,1,0,1,0,0|1,0,0]=3 20272 B13R1.464 CCOC(=O)C1CCCCN1CC 269982a_100016990872_100000204670 [0,1,0,1,0,0|1,0,0]=3 20273 B13R1.464 CCOC(=O)C1CCCCN1CF 269982a_100016990872_100015361967 [0,1,0,1,0,0|2,0,0]=4 20274 B13R1.464 CCOC(=O)C1CSCCN1CC 2230a_100000735462_100000210202 [0,1,0,1,0,0|2,0,0]=4 20275 B13R1.464 CCOC(=O)C1CSCCN1CC 269982a_100000735462_100000204670 [0,1,0,1,0,0|2,0,0]=4 20276 B13R1.464 CCOC(=O)[C@@H]1COCCN1CC 2230a_100015229691_100000210202 [0,1,0,1,0,0|2,0,0]=4 20277 B13R1.464 CCOC(=O)[C@@H]1COCCN1CC 269982a_100015229691_100000204670 [0,1,0,1,0,0|2,0,0]=4 20278 B13R1.464 CC[C@H]1COCCN1C(=O)COC 11a_100016988097_100000210968 [0,1,0,1,0,0|2,0,0]=4 20279 B13R1.464 CC[C@H]1COCCN1C(=O)COC 1626a_100016988097_100000210968 [0,1,0,1,0,0|2,0,0]=4 20280 B13R1.464 CC[C@H]1COCCN1C(=O)COC 240690a_100016988097_100000210968 [0,1,0,1,0,0|2,0,0]=4 20281 B13R1.464 CC[C@H]1COCCN1C(=O)COC 527a_100016988097_100000210968 [0,1,0,1,0,0|2,0,0]=4 20282 B13R1.464 COCC(=O)N1CCCCC1CO 240690a_100000210821_100000210968 [0,1,0,1,0,0|2,0,0]=4 20283 B13R1.470 C=COC(=O)CN1CCCCC1C 2230a_100000211376_100000036128 [0,1,0,1,0,0|1,0,1]=4 20284 B13R1.470 C=COC(=O)CN1CCCCC1C 269982a_100000211376_100000036128 [0,1,0,1,0,0|1,0,1]=4 20285 B13R1.470 C=COC(=O)CN1CCCCC1C 34a_100000211376_100000036128 [0,1,0,1,0,0|1,0,1]=4 20286 B13R1.470 CC#CC(=O)CC1CCCCN1C 1458a_100000763181_100015185383 [0,1,0,1,0,0|2,0,0]=4 20287 B13R1.470 CC1CCCCC1NC(=O)CCO 240690a_100000211402_100011216618 [0,1,0,1,0,0|2,0,0]=4 20288 B13R1.470 CC1CCCCC1NC(=O)CS[13CH3] 62a_100000182742_200025704644 [0,1,0,1,0,0|1,1,0]=4 20289 B13R1.470 CC1CCCCC1NC(=O)CS[13CH3] 62a_200025704644_100000182742 [0,1,0,1,0,0|1,1,0]=4 20290 B13R1.470 CC1CCCCN1CC(=O)NCO 2230a_100000211376_100000185155 [0,1,0,1,0,0|2,0,0]=4 20291 B13R1.470 CC1CCCCN1CC(=O)NCO 269982a_100000211376_100000185155 [0,1,0,1,0,0|2,0,0]=4 20292 B13R1.470 CC1CCCCN1CC(=O)NCO 34a_100000211376_100000185155 [0,1,0,1,0,0|2,0,0]=4 20293 B13R1.470 CC=CC(=O)CC1CCCCN1C 1458a_100000210699_100015185383 [0,1,0,1,0,0|2,0,0]=4 20294 B13R1.470 CC=CC(=O)NC1CCCCC1C 11a_100000211402_100000210699 [0,1,0,1,0,0|2,0,0]=4 20295 B13R1.470 CC=CC(=O)NC1CCCCC1C 1626a_100000211402_100000210699 [0,1,0,1,0,0|2,0,0]=4 20296 B13R1.470 CC=CC(=O)NC1CCCCC1C 240690a_100000211402_100000210699 [0,1,0,1,0,0|2,0,0]=4 20297 B13R1.470 CCCC(=O)CC1CCCCN1C 1458a_100000211992_100015185383 [0,1,0,1,0,0|2,0,0]=4 20298 B13R1.470 CCCC(=O)CN1CCCCC1C 2230a_100000211376_100000747444 [0,1,0,1,0,0|2,0,0]=4 20299 B13R1.470 CCCC(=O)CN1CCCCC1C 269982a_100000211376_100000747444 [0,1,0,1,0,0|2,0,0]=4 20300 B13R1.470 CCCC(=O)NC1CCCCC1C 11a_100000211402_100000211992 [0,1,0,1,0,0|2,0,0]=4 20301 B13R1.470 CCCC(=O)NC1CCCCC1C 1626a_100000211402_100000211992 [0,1,0,1,0,0|2,0,0]=4 20302 B13R1.470 CCCC(=O)NC1CCCCC1C 240690a_100000211402_100000211992 [0,1,0,1,0,0|2,0,0]=4 20303 B13R1.470 CCCC(=O)NC1CCCCC1C 527a_100000211402_100000211992 [0,1,0,1,0,0|2,0,0]=4 20304 B13R1.470 CCNC(=O)CN1CCCCC1C 2230a_100000211376_100000183381 [0,1,0,1,0,0|2,0,0]=4 20305 B13R1.470 CCNC(=O)CN1CCCCC1C 269982a_100000211376_100000183381 [0,1,0,1,0,0|2,0,0]=4 20306 B13R1.470 CCNC(=O)CN1CCCCC1C 34a_100000211376_100000183381 [0,1,0,1,0,0|2,0,0]=4 20307 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100000211402_100015525214 [0,1,0,1,0,0|2,0,0]=4 20308 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100015525214_100000211402 [0,1,0,1,0,0|2,0,0]=4 20309 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100000211402_100015525214 [0,1,0,1,0,0|2,0,0]=4 20310 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100015525214_100000211402 [0,1,0,1,0,0|2,0,0]=4 20311 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100000211402_100015525214 [0,1,0,1,0,0|2,0,0]=4 20312 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100015525214_100000211402 [0,1,0,1,0,0|2,0,0]=4 20313 B13R1.470 CCOC(=O)CC1CCCCN1C 2230a_100116209990_200000210301 [0,1,0,1,0,0|1,0,0]=3 20314 B13R1.470 CCOC(=O)CC1CCCCN1C 269982a_100116209990_200000210301 [0,1,0,1,0,0|1,0,0]=3 20315 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 2230a_100116209990_200025704644 [0,1,0,1,0,0|1,0,0]=3 20316 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 269982a_100116209990_200025704644 [0,1,0,1,0,0|1,0,0]=3 20317 B13R1.470 CCOC(=O)CN1CCCCC1C 2230a_100000211376_100000188475 [0,1,0,1,0,0|1,0,0]=3 20318 B13R1.470 CCOC(=O)CN1CCCCC1C 269982a_100000211376_100000188475 [0,1,0,1,0,0|1,0,0]=3 20319 B13R1.470 CCOC(=O)CN1CCCCC1C 34a_100000211376_100000188475 [0,1,0,1,0,0|1,0,0]=3 20320 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000188475 [0,1,0,1,0,0|2,0,0]=4 20321 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000188475 [0,1,0,1,0,0|2,0,0]=4 20322 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000188475 [0,1,0,1,0,0|2,0,0]=4 20323 B13R1.470 CN1CCCCC1CC(=O)CCO 1458a_100011216618_100015185383 [0,1,0,1,0,0|2,0,0]=4 20324 B13R1.470 CNCC(=O)NC1CCCCC1C 2230a_106832991635_100000182742 [0,1,0,1,0,0|2,0,0]=4 20325 B13R1.470 CNCC(=O)NC1CCCCC1C 34a_100102657272_100000182742 [0,1,0,1,0,0|2,0,0]=4 20326 B13R1.470 CNCC(=O)NC1CCCCC1C 7a_106832991635_100000182742 [0,1,0,1,0,0|2,0,0]=4 20327 B13R1.470 CNNC(=O)NC1CCCCC1C 273464a_100000211402_100016993582 [0,1,0,1,0,0|2,0,0]=4 20328 B13R1.470 CNNC(=O)NC1CCCCC1C 512a_100000211402_100016993582 [0,1,0,1,0,0|2,0,0]=4 20329 B13R1.470 CNNC(=O)NC1CCCCC1C 512a_100016993582_100000211402 [0,1,0,1,0,0|2,0,0]=4 20330 B13R1.470 COCC(=O)CC1CCCCN1C 1458a_100000210968_100015185383 [0,1,0,1,0,0|1,0,0]=3 20331 B13R1.470 COCC(=O)NC1CCCCC1C 11a_100000211402_100000210968 [0,1,0,1,0,0|1,0,0]=3 20332 B13R1.470 COCC(=O)NC1CCCCC1C 1626a_100000211402_100000210968 [0,1,0,1,0,0|1,0,0]=3 20333 B13R1.470 COCC(=O)NC1CCCCC1C 240690a_100000211402_100000210968 [0,1,0,1,0,0|1,0,0]=3 20334 B13R1.470 COCC(=O)NC1CCCCC1C 34a_100138415774_100000182742 [0,1,0,1,0,0|1,0,0]=3 20335 B13R1.470 COCC(=O)NC1CCCCC1C 527a_100000211402_100000210968 [0,1,0,1,0,0|1,0,0]=3 20336 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210968 [0,1,0,1,0,0|2,0,0]=4 20337 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210968 [0,1,0,1,0,0|2,0,0]=4 20338 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000210968 [0,1,0,1,0,0|2,0,0]=4 20339 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000210968 [0,1,0,1,0,0|2,0,0]=4 20340 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000210968 [0,1,0,1,0,0|2,0,0]=4 20341 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000210968 [0,1,0,1,0,0|2,0,0]=4 20342 B13R1.470 CSCC(=O)CC1CCCCN1C 1458a_100000184570_100015185383 [0,1,0,1,0,0|1,1,0]=4 20343 B13R1.470 CSCC(=O)NC1CCCCC1C 11a_100000211402_100000184570 [0,1,0,1,0,0|1,1,0]=4 20344 B13R1.470 CSCC(=O)NC1CCCCC1C 1626a_100000211402_100000184570 [0,1,0,1,0,0|1,1,0]=4 20345 B13R1.470 CSCC(=O)NC1CCCCC1C 240690a_100000211402_100000184570 [0,1,0,1,0,0|1,1,0]=4 20346 B13R1.470 CSCC(=O)NC1CCCCC1C 527a_100000211402_100000184570 [0,1,0,1,0,0|1,1,0]=4 20347 B13R1.470 CSCC(=O)NC1CCCCC1C 62a_100000182742_200000210301 [0,1,0,1,0,0|1,1,0]=4 20348 B13R1.470 CSCC(=O)NC1CCCCC1C 62a_200000210301_100000182742 [0,1,0,1,0,0|1,1,0]=4 20349 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [0,1,0,1,0,0|2,0,0]=4 20350 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [0,1,0,1,0,0|2,0,0]=4 20351 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [0,1,0,1,0,0|2,0,0]=4 20352 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [0,1,0,1,0,0|1,0,0]=3 20353 B13R1.654 CCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210314 [0,1,0,1,0,0|1,0,0]=3 20354 B13R1.654 CCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210314 [0,1,0,1,0,0|1,0,0]=3 20355 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,1,0,1,0,0|2,0,0]=4 20356 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,1,0,1,0,0|2,0,0]=4 20357 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,1,0,1,0,0|2,0,0]=4 20358 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [0,1,0,1,0,0|1,0,0]=3 20359 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [0,1,0,1,0,0|1,0,0]=3 20360 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [0,1,0,1,0,0|2,0,0]=4 20361 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [0,1,0,1,0,0|2,0,0]=4 20362 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [0,1,0,1,0,0|2,0,0]=4 20363 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [0,1,0,1,0,0|1,0,0]=3 20364 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [0,1,0,1,0,0|1,0,0]=3 20365 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [0,1,0,1,0,0|2,0,0]=4 20366 B13R1.654 CCCCOCN[C@@H]1CONC1=O 2230a_100000765999_100011995733 [0,1,0,1,0,0|2,0,0]=4 20367 B13R1.654 CCCCOCN[C@@H]1CONC1=O 34a_100000765999_100011995733 [0,1,0,1,0,0|2,0,0]=4 20368 B13R1.654 CCCCOCSC1CCOC1=O 62a_100000211211_100011995733 [0,1,0,1,0,0|2,0,0]=4 20369 B13R1.654 CCCCOCSC1CCOC1=O 62a_100011995733_100000211211 [0,1,0,1,0,0|2,0,0]=4 20370 B13R1.654 CCCOCCNC1CCOC1=O 2230a_100161115042_100000211211 [0,1,0,1,0,0|2,0,0]=4 20371 B13R1.654 CCCOCCNC1CCOC1=O 34a_100161115042_100000211211 [0,1,0,1,0,0|2,0,0]=4 20372 B13R1.654 CCCOCCN[C@@H]1CONC1=O 2230a_100000765999_100011215938 [0,1,0,1,0,0|2,0,0]=4 20373 B13R1.654 CCCOCCN[C@@H]1CONC1=O 34a_100000765999_100011215938 [0,1,0,1,0,0|2,0,0]=4 20374 B13R1.654 CCCOCCOC1CCOC1=O 34a_100000752267_100000211211 [0,1,0,1,0,0|2,0,0]=4 20375 B13R1.654 CCCOCCOC1CCOC1=O 7a_100000752267_100000211211 [0,1,0,1,0,0|2,0,0]=4 20376 B13R1.654 CCCOCCSC1CCOC1=O 62a_100000211211_100011215938 [0,1,0,1,0,0|2,0,0]=4 20377 B13R1.654 CCCOCCSC1CCOC1=O 62a_100011215938_100000211211 [0,1,0,1,0,0|2,0,0]=4 20378 B13R1.654 CCCSCCNC1CCOC1=O 2230a_100020603323_100000211211 [0,1,0,1,0,0|2,0,0]=4 20379 B13R1.654 CCCSCCOC1CCOC1=O 34a_200000230433_100000211211 [0,1,0,1,0,0|2,0,0]=4 20380 B13R1.654 CCCSCCOC1CCOC1=O 7a_200000230433_100000211211 [0,1,0,1,0,0|2,0,0]=4 20381 B13R1.654 CCOCCCNC1CCOC1=O 2230a_100000210961_100000211211 [0,1,0,1,0,0|2,0,0]=4 20382 B13R1.654 CCOCCCNC1CCOC1=O 34a_100000210961_100000211211 [0,1,0,1,0,0|2,0,0]=4 20383 B13R1.654 CCOCCCN[C@@H]1CONC1=O 2230a_100000765999_100012232248 [0,1,0,1,0,0|2,0,0]=4 20384 B13R1.654 CCOCCCN[C@@H]1CONC1=O 34a_100000765999_100012232248 [0,1,0,1,0,0|2,0,0]=4 20385 B13R1.654 CCOCCCOC1CCOC1=O 34a_100000757476_100000211211 [0,1,0,1,0,0|2,0,0]=4 20386 B13R1.654 CCOCCCOC1CCOC1=O 7a_100000757476_100000211211 [0,1,0,1,0,0|2,0,0]=4 20387 B13R1.654 CCOCCCSC1CCOC1=O 62a_100000211211_100012232248 [0,1,0,1,0,0|2,0,0]=4 20388 B13R1.654 CCOCCCSC1CCOC1=O 62a_100012232248_100000211211 [0,1,0,1,0,0|2,0,0]=4 20389 B13R1.654 CCSCCCOC1CCOC1=O 34a_100011216438_100000211211 [0,1,0,1,0,0|2,0,0]=4 20390 B13R1.654 CCSCCCOC1CCOC1=O 7a_100011216438_100000211211 [0,1,0,1,0,0|2,0,0]=4 20391 B13R1.654 COCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000730899 [0,1,0,1,0,0|2,0,0]=4 20392 B13R1.654 COCCCCN[C@@H]1CONC1=O 34a_100000765999_100000755781 [0,1,0,1,0,0|2,0,0]=4 20393 B13R1.654 COCCCCOC1CCOC1=O 34a_100000740925_100000211211 [0,1,0,1,0,0|2,0,0]=4 20394 B13R1.654 COCCCCSC1CCOC1=O 62a_100000211211_100000730899 [0,1,0,1,0,0|2,0,0]=4 20395 B13R1.654 COCCCCSC1CCOC1=O 62a_100000730899_100000211211 [0,1,0,1,0,0|2,0,0]=4 20396 B13R1.654 CSCCCCOC1CCOC1=O 34a_100011217163_100000211211 [0,1,0,1,0,0|2,0,0]=4 20397 B13R1.654 CSCCCCOC1CCOC1=O 7a_100011217163_100000211211 [0,1,0,1,0,0|2,0,0]=4 20398 B13R1.654 NCCCCCOC1CCOC1=O 34a_100000762737_100000211211 [0,1,0,1,0,0|2,0,0]=4 20399 B13R1.654 O=C1NOC[C@H]1NCCCCCF 2230a_100000765999_100000729378 [0,1,0,1,0,0|2,0,0]=4 20400 B13R1.654 O=C1NOC[C@H]1NCCCCCF 34a_100000765999_100000729378 [0,1,0,1,0,0|2,0,0]=4 20401 B13R1.654 O=C1NOC[C@H]1NCCCCCO 2230a_100000765999_100000746330 [0,1,0,1,0,0|2,0,0]=4 20402 B13R1.654 O=C1NOC[C@H]1NCCCCCO 34a_100000765999_100000746330 [0,1,0,1,0,0|2,0,0]=4 20403 B13R1.654 O=C1OCCC1NCCCCCO 2230a_100000762737_100000211211 [0,1,0,1,0,0|2,0,0]=4 20404 B13R1.654 O=C1OCCC1NCCCCCO 34a_100000762737_100000211211 [0,1,0,1,0,0|2,0,0]=4 20405 B13R1.654 O=C1OCCC1OCCCCCBr 34a_100000746331_100000211211 [0,1,0,1,0,0|2,0,0]=4 20406 B13R1.654 O=C1OCCC1OCCCCCBr 7a_100000746331_100000211211 [0,1,0,1,0,0|2,0,0]=4 20407 B13R1.654 O=C1OCCC1OCCCCCCl 34a_100000746330_100000211211 [0,1,0,1,0,0|2,0,0]=4 20408 B13R1.654 O=C1OCCC1OCCCCCCl 7a_100000746330_100000211211 [0,1,0,1,0,0|2,0,0]=4 20409 B13R1.654 O=C1OCCC1OCCCCCI 34a_200012148887_100000211211 [0,1,0,1,0,0|2,0,0]=4 20410 B13R1.654 O=C1OCCC1OCCCCCI 7a_200012148887_100000211211 [0,1,0,1,0,0|2,0,0]=4 20411 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000211211_100000729378 [0,1,0,1,0,0|2,0,0]=4 20412 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000729378_100000211211 [0,1,0,1,0,0|2,0,0]=4 20413 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000211211_100000746330 [0,1,0,1,0,0|2,0,0]=4 20414 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000746330_100000211211 [0,1,0,1,0,0|2,0,0]=4 20415 B13R1.1149 CCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210326 [0,1,0,1,0,0|2,0,0]=4 20416 B13R1.1149 CCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210215 [0,1,0,1,0,0|2,0,0]=4 20417 B13R1.1464 CC=CC(=O)N1CCCCCCC1 11a_100000211400_100000210699 [0,1,0,1,0,0|2,0,0]=4 20418 B13R1.1464 CC=CC(=O)N1CCCCCCC1 1626a_100000211400_100000210699 [0,1,0,1,0,0|2,0,0]=4 20419 B13R1.1464 CC=CC(=O)N1CCCCCCC1 240690a_100000211400_100000210699 [0,1,0,1,0,0|2,0,0]=4 20420 B13R1.1464 CCCC(=O)N1CCCCCCC1 11a_100000211400_100000211992 [0,1,0,1,0,0|2,0,0]=4 20421 B13R1.1464 CCCC(=O)N1CCCCCCC1 1626a_100000211400_100000211992 [0,1,0,1,0,0|2,0,0]=4 20422 B13R1.1464 CCCC(=O)N1CCCCCCC1 240690a_100000211400_100000211992 [0,1,0,1,0,0|2,0,0]=4 20423 B13R1.1464 CCCC(=O)N1CCCCCCC1 527a_100000211400_100000211992 [0,1,0,1,0,0|2,0,0]=4 20424 B13R1.1464 CCNC(=O)N1CCCCCCC1 2708a_100015525214_100000211400 [0,1,0,1,0,0|2,0,0]=4 20425 B13R1.1464 CCNC(=O)N1CCCCCCC1 273464a_100015525214_100000211400 [0,1,0,1,0,0|2,0,0]=4 20426 B13R1.1464 CNCC(=O)N1CCCCCCC1 2230a_106832991635_100000230191 [0,1,0,1,0,0|2,0,0]=4 20427 B13R1.1464 CNCC(=O)N1CCCCCCC1 34a_100102657272_100000230191 [0,1,0,1,0,0|2,0,0]=4 20428 B13R1.1464 CNCC(=O)N1CCCCCCC1 7a_106832991635_100000230191 [0,1,0,1,0,0|2,0,0]=4 20429 B13R1.1464 COCC(=O)C1CC/C=C\CCC1 1458a_100000210968_100021000466 [0,1,0,1,0,0|0,0,2]=4 20430 B13R1.1464 COCC(=O)N1CCCCCCC1 11a_100000211400_100000210968 [0,1,0,1,0,0|1,0,0]=3 20431 B13R1.1464 COCC(=O)N1CCCCCCC1 1626a_100000211400_100000210968 [0,1,0,1,0,0|1,0,0]=3 20432 B13R1.1464 COCC(=O)N1CCCCCCC1 240690a_100000211400_100000210968 [0,1,0,1,0,0|1,0,0]=3 20433 B13R1.1464 COCC(=O)N1CCCCCCC1 34a_100138415774_100000230191 [0,1,0,1,0,0|1,0,0]=3 20434 B13R1.1464 COCC(=O)N1CCCCCCC1 527a_100000211400_100000210968 [0,1,0,1,0,0|1,0,0]=3 20435 B13R1.1464 CSCC(=O)N1CCCCCCC1 11a_100000211400_100000184570 [0,1,0,1,0,0|1,1,0]=4 20436 B13R1.1464 CSCC(=O)N1CCCCCCC1 1626a_100000211400_100000184570 [0,1,0,1,0,0|1,1,0]=4 20437 B13R1.1464 CSCC(=O)N1CCCCCCC1 240690a_100000211400_100000184570 [0,1,0,1,0,0|1,1,0]=4 20438 B13R1.1464 CSCC(=O)N1CCCCCCC1 527a_100000211400_100000184570 [0,1,0,1,0,0|1,1,0]=4 20439 B13R1.1464 CSCC(=O)N1CCCCCCC1 62a_100000230191_200000210301 [0,1,0,1,0,0|1,1,0]=4 20440 B13R1.1464 CSCC(=O)N1CCCCCCC1 62a_200000210301_100000230191 [0,1,0,1,0,0|1,1,0]=4 20441 B13R1.1464 O=C(CCO)N1CCCCCCC1 240690a_100000211400_100011216618 [0,1,0,1,0,0|2,0,0]=4 20442 B13R1.1464 [13CH3]SCC(=O)N1CCCCCCC1 62a_100000230191_200025704644 [0,1,0,1,0,0|1,1,0]=4 20443 B13R1.1464 [13CH3]SCC(=O)N1CCCCCCC1 62a_200025704644_100000230191 [0,1,0,1,0,0|1,1,0]=4 20444 B13R1.1575 C#CCC(=O)CC1CCCCCC1 1458a_100000685095_100000184674 [0,1,0,1,0,0|1,0,1]=4 20445 B13R1.1575 C#CCC(=O)CC1CCCCCC1 1458a_100011220946_200000696569 [0,1,0,1,0,0|1,0,1]=4 20446 B13R1.1575 C=CCC(=O)CC1CCCCCC1 1458a_100000210193_200000696569 [0,1,0,1,0,0|1,0,1]=4 20447 B13R1.1575 C=CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210623 [0,1,0,1,0,0|1,0,1]=4 20448 B13R1.1575 C=COC(=O)CN1CCCCCC1 2230a_100000185865_100000036128 [0,1,0,1,0,0|1,0,1]=4 20449 B13R1.1575 C=COC(=O)CN1CCCCCC1 269982a_100000185865_100000036128 [0,1,0,1,0,0|1,0,1]=4 20450 B13R1.1575 C=COC(=O)CN1CCCCCC1 34a_100000185865_100000036128 [0,1,0,1,0,0|1,0,1]=4 20451 B13R1.1575 CC#CC(=O)CC1CCCCCC1 1458a_100000763181_200000696569 [0,1,0,1,0,0|1,0,0]=3 20452 B13R1.1575 CC=CC(=O)CC1CCCCCC1 1458a_100000210699_200000696569 [0,1,0,1,0,0|1,0,0]=3 20453 B13R1.1575 CC=CC(=O)NC1CCCCCC1 11a_100000210984_100000210699 [0,1,0,1,0,0|2,0,0]=4 20454 B13R1.1575 CC=CC(=O)NC1CCCCCC1 1626a_100000210984_100000210699 [0,1,0,1,0,0|2,0,0]=4 20455 B13R1.1575 CC=CC(=O)NC1CCCCCC1 240690a_100000210984_100000210699 [0,1,0,1,0,0|2,0,0]=4 20456 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [0,1,0,1,0,0|1,0,0]=3 20457 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [0,1,0,1,0,0|1,0,0]=3 20458 B13R1.1575 CCCC(=O)CN1CCCCCC1 1458a_100000740298_100000210303 [0,1,0,1,0,0|2,0,0]=4 20459 B13R1.1575 CCCC(=O)CN1CCCCCC1 2230a_100000185865_100000747444 [0,1,0,1,0,0|2,0,0]=4 20460 B13R1.1575 CCCC(=O)CN1CCCCCC1 269982a_100000185865_100000747444 [0,1,0,1,0,0|2,0,0]=4 20461 B13R1.1575 CCCC(=O)NC1CCCCCC1 11a_100000210984_100000211992 [0,1,0,1,0,0|2,0,0]=4 20462 B13R1.1575 CCCC(=O)NC1CCCCCC1 1626a_100000210984_100000211992 [0,1,0,1,0,0|2,0,0]=4 20463 B13R1.1575 CCCC(=O)NC1CCCCCC1 240690a_100000210984_100000211992 [0,1,0,1,0,0|2,0,0]=4 20464 B13R1.1575 CCCC(=O)NC1CCCCCC1 527a_100000210984_100000211992 [0,1,0,1,0,0|2,0,0]=4 20465 B13R1.1575 CCNC(=O)CC1CCCCCC1 11a_100015525214_100000685095 [0,1,0,1,0,0|1,0,0]=3 20466 B13R1.1575 CCNC(=O)CC1CCCCCC1 240690a_100015525214_100000685095 [0,1,0,1,0,0|1,0,0]=3 20467 B13R1.1575 CCNC(=O)CC1CCCCCC1 527a_100015525214_100000685095 [0,1,0,1,0,0|1,0,0]=3 20468 B13R1.1575 CCNC(=O)CN1CCCCCC1 11a_100015525214_100000740298 [0,1,0,1,0,0|2,0,0]=4 20469 B13R1.1575 CCNC(=O)CN1CCCCCC1 2230a_100000185865_100000183381 [0,1,0,1,0,0|2,0,0]=4 20470 B13R1.1575 CCNC(=O)CN1CCCCCC1 240690a_100015525214_100000740298 [0,1,0,1,0,0|2,0,0]=4 20471 B13R1.1575 CCNC(=O)CN1CCCCCC1 269982a_100000185865_100000183381 [0,1,0,1,0,0|2,0,0]=4 20472 B13R1.1575 CCNC(=O)CN1CCCCCC1 34a_100000185865_100000183381 [0,1,0,1,0,0|2,0,0]=4 20473 B13R1.1575 CCNC(=O)CN1CCCCCC1 527a_100015525214_100000740298 [0,1,0,1,0,0|2,0,0]=4 20474 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100000210984_100015525214 [0,1,0,1,0,0|2,0,0]=4 20475 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100015525214_100000210984 [0,1,0,1,0,0|2,0,0]=4 20476 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100000210984_100015525214 [0,1,0,1,0,0|2,0,0]=4 20477 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100015525214_100000210984 [0,1,0,1,0,0|2,0,0]=4 20478 B13R1.1575 CCNC(=O)NC1CCCCCC1 512a_100015525214_100000210984 [0,1,0,1,0,0|2,0,0]=4 20479 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [0,1,0,1,0,0|1,0,0]=3 20480 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [0,1,0,1,0,0|1,0,0]=3 20481 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [0,1,0,1,0,0|1,0,0]=3 20482 B13R1.1575 CCOC(=O)CN1CCCOCC1 2230a_100000685342_100000188475 [0,1,0,1,0,0|2,0,0]=4 20483 B13R1.1575 CCOC(=O)CN1CCCOCC1 269982a_100000685342_100000188475 [0,1,0,1,0,0|2,0,0]=4 20484 B13R1.1575 CCOC(=O)CN1CCCOCC1 34a_100000685342_100000188475 [0,1,0,1,0,0|2,0,0]=4 20485 B13R1.1575 CNCC(=O)NC1CCCCCC1 2230a_106832991635_100000183474 [0,1,0,1,0,0|2,0,0]=4 20486 B13R1.1575 CNCC(=O)NC1CCCCCC1 34a_100102657272_100000183474 [0,1,0,1,0,0|2,0,0]=4 20487 B13R1.1575 CNCC(=O)NC1CCCCCC1 7a_106832991635_100000183474 [0,1,0,1,0,0|2,0,0]=4 20488 B13R1.1575 CNNC(=O)CC1CCCCCC1 22a_100016993582_100000685095 [0,1,0,1,0,0|1,0,0]=3 20489 B13R1.1575 CNNC(=O)CN1CCCCCC1 22a_100016993582_100000740298 [0,1,0,1,0,0|2,0,0]=4 20490 B13R1.1575 CNNC(=O)NC1CCCCCC1 273464a_100000210984_100016993582 [0,1,0,1,0,0|2,0,0]=4 20491 B13R1.1575 CNNC(=O)NC1CCCCCC1 512a_100016993582_100000210984 [0,1,0,1,0,0|2,0,0]=4 20492 B13R1.1575 COCC(=O)CC1CCCCCC1 1458a_100000210968_200000696569 [0,1,0,1,0,0|0,0,0]=2 20493 B13R1.1575 COCC(=O)NC1CCCCCC1 11a_100000210984_100000210968 [0,1,0,1,0,0|1,0,0]=3 20494 B13R1.1575 COCC(=O)NC1CCCCCC1 1626a_100000210984_100000210968 [0,1,0,1,0,0|1,0,0]=3 20495 B13R1.1575 COCC(=O)NC1CCCCCC1 240690a_100000210984_100000210968 [0,1,0,1,0,0|1,0,0]=3 20496 B13R1.1575 COCC(=O)NC1CCCCCC1 34a_100138415774_100000183474 [0,1,0,1,0,0|1,0,0]=3 20497 B13R1.1575 COCC(=O)NC1CCCCCC1 527a_100000210984_100000210968 [0,1,0,1,0,0|1,0,0]=3 20498 B13R1.1575 CSCC(=O)CC1CCCCCC1 1458a_100000184570_200000696569 [0,1,0,1,0,0|0,1,0]=3 20499 B13R1.1575 CSCC(=O)NC1CCCCCC1 11a_100000210984_100000184570 [0,1,0,1,0,0|1,1,0]=4 20500 B13R1.1575 CSCC(=O)NC1CCCCCC1 1626a_100000210984_100000184570 [0,1,0,1,0,0|1,1,0]=4 20501 B13R1.1575 CSCC(=O)NC1CCCCCC1 240690a_100000210984_100000184570 [0,1,0,1,0,0|1,1,0]=4 20502 B13R1.1575 CSCC(=O)NC1CCCCCC1 527a_100000210984_100000184570 [0,1,0,1,0,0|1,1,0]=4 20503 B13R1.1575 CSCC(=O)NC1CCCCCC1 62a_100000183474_200000210301 [0,1,0,1,0,0|1,1,0]=4 20504 B13R1.1575 CSCC(=O)NC1CCCCCC1 62a_200000210301_100000183474 [0,1,0,1,0,0|1,1,0]=4 20505 B13R1.1575 N#CCC(=O)CC1CCCCCC1 1458a_100000685095_100011214920 [0,1,0,1,0,0|1,0,1]=4 20506 B13R1.1575 N#CCC(=O)CC1CCCCCC1 1458a_100051588842_200000696569 [0,1,0,1,0,0|1,0,1]=4 20507 B13R1.1575 O=C(C=CBr)CC1CCCCCC1 1458a_100016273825_200000696569 [0,1,0,1,0,0|1,0,1]=4 20508 B13R1.1575 O=C(C=CCl)CC1CCCCCC1 1458a_200016279998_200000696569 [0,1,0,1,0,0|1,0,1]=4 20509 B13R1.1575 O=C(C=CI)CC1CCCCCC1 1458a_100016256311_200000696569 [0,1,0,1,0,0|1,0,1]=4 20510 B13R1.1575 O=C(CCF)CC1CCCCCC1 1458a_100000685095_100011217306 [0,1,0,1,0,0|1,0,0]=3 20511 B13R1.1575 O=C(CCF)CN1CCCCCC1 1458a_100000740298_100011217306 [0,1,0,1,0,0|2,0,0]=4 20512 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100000685095_100000211926 [0,1,0,1,0,0|1,0,0]=3 20513 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100011216618_200000696569 [0,1,0,1,0,0|1,0,0]=3 20514 B13R1.1575 O=C(CCO)CN1CCCCCC1 1458a_100000740298_100000211926 [0,1,0,1,0,0|2,0,0]=4 20515 B13R1.1575 O=C(CCO)NC1CCCCCC1 240690a_100000210984_100011216618 [0,1,0,1,0,0|2,0,0]=4 20516 B13R1.1575 O=C(CN1CCCCCC1)NCO 2230a_100000185865_100000185155 [0,1,0,1,0,0|2,0,0]=4 20517 B13R1.1575 O=C(CN1CCCCCC1)NCO 269982a_100000185865_100000185155 [0,1,0,1,0,0|2,0,0]=4 20518 B13R1.1575 O=C(CN1CCCCCC1)NCO 34a_100000185865_100000185155 [0,1,0,1,0,0|2,0,0]=4 20519 B13R1.1575 [13CH3]SCC(=O)NC1CCCCCC1 62a_100000183474_200025704644 [0,1,0,1,0,0|1,1,0]=4 20520 B13R1.1575 [13CH3]SCC(=O)NC1CCCCCC1 62a_200025704644_100000183474 [0,1,0,1,0,0|1,1,0]=4 20521 B13R1.3151 C#CCCCCCCC(=O)C1CO1 1458a_100000701028_100012276617 [0,1,0,1,0,0|0,0,2]=4 20522 B13R1.3151 C=CCCCCCCC(=O)C1CO1 1458a_100000701028_100011215473 [0,1,0,1,0,0|0,0,2]=4 20523 B13R1.3151 CCCCCC#CCC(=O)C1CO1 1458a_100000701028_100009816472 [0,1,0,1,0,0|0,0,2]=4 20524 B13R1.3151 CCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210759 [0,1,0,1,0,0|1,0,0]=3 20525 B13R1.3151 CCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210759 [0,1,0,1,0,0|0,0,0]=2 20526 B13R1.3151 CCCCCCCNC(=O)C1CC1 11a_100000229938_100000210395 [0,1,0,1,0,0|2,0,0]=4 20527 B13R1.3151 CCCCCCCNC(=O)C1CC1 1626a_100000229938_100000210395 [0,1,0,1,0,0|2,0,0]=4 20528 B13R1.3151 CCCCCCCNC(=O)C1CC1 240690a_100000229938_100000210395 [0,1,0,1,0,0|2,0,0]=4 20529 B13R1.3151 CCCCCCCNC(=O)C1CC1 527a_100000229938_100000210395 [0,1,0,1,0,0|2,0,0]=4 20530 B13R1.3151 CCCCCCCNC(=O)C1CO1 11a_100000229938_100000701028 [0,1,0,1,0,0|1,0,0]=3 20531 B13R1.3151 CCCCCCCNC(=O)C1CO1 1626a_100000229938_100000701028 [0,1,0,1,0,0|1,0,0]=3 20532 B13R1.3151 CCCCCCCNC(=O)C1CO1 240690a_100000229938_100000701028 [0,1,0,1,0,0|1,0,0]=3 20533 B13R1.3151 CCCCCCCNC(=O)C1CO1 527a_100000229938_100000701028 [0,1,0,1,0,0|1,0,0]=3 20534 B13R1.3151 CCCCCCNCC(=O)C1CC1 2230a_100000210581_100000746382 [0,1,0,1,0,0|2,0,0]=4 20535 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000210259_100000746382 [0,1,0,1,0,0|2,0,0]=4 20536 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000686663_100000210314 [0,1,0,1,0,0|2,0,0]=4 20537 B13R1.3151 CCCCCCOCC(=O)C1CC1 7a_100000210259_100000746382 [0,1,0,1,0,0|2,0,0]=4 20538 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000210314_100000746382 [0,1,0,1,0,0|2,0,0]=4 20539 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000746382_100000210757 [0,1,0,1,0,0|2,0,0]=4 20540 B13R1.3151 CCCCSCCNC(=O)C1CO1 11a_100025743550_100000701028 [0,1,0,1,0,0|2,0,0]=4 20541 B13R1.3151 CCCCSCCNC(=O)C1CO1 1626a_100025743550_100000701028 [0,1,0,1,0,0|2,0,0]=4 20542 B13R1.3151 CCCCSCCNC(=O)C1CO1 240690a_100025743550_100000701028 [0,1,0,1,0,0|2,0,0]=4 20543 B13R1.3151 CCCCSCCNC(=O)C1CO1 527a_100025743550_100000701028 [0,1,0,1,0,0|2,0,0]=4 20544 B13R1.3151 CCCOCCCNC(=O)C1CO1 1626a_100011217757_100000701028 [0,1,0,1,0,0|2,0,0]=4 20545 B13R1.3151 CCCOCCCNC(=O)C1CO1 240690a_100011217757_100000701028 [0,1,0,1,0,0|2,0,0]=4 20546 B13R1.3151 CCCOCCCNC(=O)C1CO1 527a_100011217757_100000701028 [0,1,0,1,0,0|2,0,0]=4 20547 B13R1.3151 CCOCCOCCC(=O)C1CO1 1458a_100000701028_100011211534 [0,1,0,1,0,0|2,0,0]=4 20548 B13R1.3151 COCCCCCCC(=O)C1CC1 1458a_100000210395_100011998445 [0,1,0,1,0,0|2,0,0]=4 20549 B13R1.3151 COCCCCCCC(=O)C1CO1 1458a_100000701028_100011998445 [0,1,0,1,0,0|1,0,0]=3 20550 B13R1.3151 COCCCCCNC(=O)C1CO1 11a_100000747528_100000701028 [0,1,0,1,0,0|2,0,0]=4 20551 B13R1.3151 COCCCCCNC(=O)C1CO1 1626a_100000747528_100000701028 [0,1,0,1,0,0|2,0,0]=4 20552 B13R1.3151 COCCCCCNC(=O)C1CO1 240690a_100000747528_100000701028 [0,1,0,1,0,0|2,0,0]=4 20553 B13R1.3151 COCCCCCNC(=O)C1CO1 527a_100000747528_100000701028 [0,1,0,1,0,0|2,0,0]=4 20554 B13R1.3151 COCCOCCCC(=O)C1CO1 1458a_100000701028_100011216529 [0,1,0,1,0,0|2,0,0]=4 20555 B13R1.3151 N#CCCCCCCC(=O)C1CO1 1458a_100000701028_100009813337 [0,1,0,1,0,0|1,0,1]=4 20556 B13R1.3151 O=C(CCCCCCCO)C1CC1 1458a_100000210395_100000760002 [0,1,0,1,0,0|2,0,0]=4 20557 B13R1.3151 O=C(CCCCCCCO)C1CO1 1458a_100000701028_100000760002 [0,1,0,1,0,0|1,0,0]=3 20558 B13R1.3151 O=C(NCCCCCCO)C1CO1 240690a_100000686447_100000701028 [0,1,0,1,0,0|2,0,0]=4 20559 B13R1.3151 O=C(NCCCCCCO)C1CO1 527a_100000686447_100000701028 [0,1,0,1,0,0|2,0,0]=4 20560 B13R1.93 CCN1CCCCC1(C)C(=O)OC 2230a_100015186357_100000210202 [0,1,0,1,0,0|1,0,0]=3 20561 B13R1.93 CCN1CCCCC1(C)C(=O)OC 269982a_100015186357_100000204670 [0,1,0,1,0,0|1,0,0]=3 20562 B13R1.93 CCN1CCCCC1(C)C(=O)OC 34a_100015186357_100000210202 [0,1,0,1,0,0|1,0,0]=3 20563 B13R1.93 COC(=O)C1(CCCCN1CF)C 269982a_100015186357_100015361967 [0,1,0,1,0,0|2,0,0]=4 20564 B13R1.93 COC(=O)C1(CCCCN1CF)C 34a_100015186357_100015361967 [0,1,0,1,0,0|2,0,0]=4 20565 B13R1.102 CCC(=O)C(C)N1CCCC1CC 2230a_100000754278_100000742827 [0,1,0,1,0,0|2,0,0]=4 20566 B13R1.102 CCC(=O)C(C)N1CCCC1CC 269982a_100000754278_100000742827 [0,1,0,1,0,0|2,0,0]=4 20567 B13R1.102 CCC1CCCN1C(=O)C(=O)OC 11a_100000754278_100000024059 [0,1,0,1,0,0|1,0,1]=4 20568 B13R1.102 CCC1CCCN1C(=O)C(=O)OC 1626a_100000754278_100000024059 [0,1,0,1,0,0|1,0,1]=4 20569 B13R1.102 CCC1CCCN1C(=O)C(=O)OC 240690a_100000754278_100000024059 [0,1,0,1,0,0|1,0,1]=4 20570 B13R1.102 CCC1CCCN1C(=O)C(=O)OC 527a_100000754278_100000024059 [0,1,0,1,0,0|1,0,1]=4 20571 B13R1.102 CCC1CCCN1C(C)C(=O)NC 2230a_100000754278_100000731044 [0,1,0,1,0,0|2,0,0]=4 20572 B13R1.102 CCC1CCCN1C(C)C(=O)NC 269982a_100000754278_100000209862 [0,1,0,1,0,0|2,0,0]=4 20573 B13R1.102 CCC1CCCN1C(C)C(=O)NC 34a_100000754278_100000731044 [0,1,0,1,0,0|2,0,0]=4 20574 B13R1.102 CCC1CCCN1C(C)C(=O)OC 2230a_100000754278_100000211248 [0,1,0,1,0,0|1,0,0]=3 20575 B13R1.102 CCC1CCCN1C(C)C(=O)OC 269982a_100000754278_100000211248 [0,1,0,1,0,0|1,0,0]=3 20576 B13R1.102 CCC1CCCN1C(C)C(=O)OC 34a_100000754278_100000211248 [0,1,0,1,0,0|1,0,0]=3 20577 B13R1.102 CCC1CCCN1C(F)C(=O)NC 2230a_100000754278_100009813575 [0,1,0,1,0,0|2,0,0]=4 20578 B13R1.102 CCC1CCCN1C(F)C(=O)NC 269982a_100000754278_100009813575 [0,1,0,1,0,0|2,0,0]=4 20579 B13R1.102 CCC1CCCN1C(F)C(=O)NC 34a_100000754278_100009813575 [0,1,0,1,0,0|2,0,0]=4 20580 B13R1.102 COC(=O)C(C)N1CCC[C@@H]1CO 2230a_100000745186_100000211248 [0,1,0,1,0,0|2,0,0]=4 20581 B13R1.102 COC(=O)C(C)N1CCC[C@@H]1CO 269982a_100000745186_100000211248 [0,1,0,1,0,0|2,0,0]=4 20582 B13R1.102 COC(=O)C(C)N1CCC[C@@H]1CO 34a_100000745186_100000211248 [0,1,0,1,0,0|2,0,0]=4 20583 B13R1.135 CC(CC1CCCCC1)C(=O)CF 1458a_200011416370_100015361967 [0,1,0,1,0,0|2,0,0]=4 20584 B13R1.135 CCC(=O)C(C)CC1CCCCC1 1458a_200011416370_100000210202 [0,1,0,1,0,0|1,0,0]=3 20585 B13R1.135 CCC(=O)C(C)CN1CCCCC1 1458a_100000210414_100009831500 [0,1,0,1,0,0|2,0,0]=4 20586 B13R1.135 CCC(=O)C(C)CN1CCCCC1 1458a_100000740234_100000210202 [0,1,0,1,0,0|2,0,0]=4 20587 B13R1.135 CCC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000742827 [0,1,0,1,0,0|2,0,0]=4 20588 B13R1.135 CCC(=O)C(C)OC1CCCCC1 7a_100000210231_100000742827 [0,1,0,1,0,0|2,0,0]=4 20589 B13R1.135 CCC(=O)C(C)SC1CCCCC1 62a_100000210327_100000742827 [0,1,0,1,0,0|2,0,0]=4 20590 B13R1.135 CCC(=O)C(C)SC1CCCCC1 62a_100000742827_100000210327 [0,1,0,1,0,0|2,0,0]=4 20591 B13R1.135 CCC(=O)N(C)CC1CCCCC1 11a_100000736448_100000210414 [0,1,0,1,0,0|2,0,0]=4 20592 B13R1.135 CCC(=O)N(C)CC1CCCCC1 1626a_100000736448_100000210414 [0,1,0,1,0,0|2,0,0]=4 20593 B13R1.135 CCC(=O)N(C)CC1CCCCC1 240690a_100000736448_100000210414 [0,1,0,1,0,0|2,0,0]=4 20594 B13R1.135 CCC(=O)N(C)CC1CCCCC1 527a_100000736448_100000210414 [0,1,0,1,0,0|2,0,0]=4 20595 B13R1.135 CCC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_100000210202 [0,1,0,1,0,0|1,0,0]=3 20596 B13R1.135 CNC(=O)C(=O)CC1CCCCC1 1458a_100011218921_100000211423 [0,1,0,1,0,0|1,0,1]=4 20597 B13R1.135 CNC(=O)C(C)CC1CCCCC1 11a_106832991635_200011416370 [0,1,0,1,0,0|1,0,0]=3 20598 B13R1.135 CNC(=O)C(C)CC1CCCCC1 1626a_100102657272_200011416370 [0,1,0,1,0,0|1,0,0]=3 20599 B13R1.135 CNC(=O)C(C)CC1CCCCC1 240690a_100102657272_200011416370 [0,1,0,1,0,0|1,0,0]=3 20600 B13R1.135 CNC(=O)C(C)CC1CCCCC1 527a_100102657272_200011416370 [0,1,0,1,0,0|1,0,0]=3 20601 B13R1.135 CNC(=O)C(C)CN1CCCCC1 11a_106832991635_100000740234 [0,1,0,1,0,0|2,0,0]=4 20602 B13R1.135 CNC(=O)C(C)CN1CCCCC1 240690a_100102657272_100000740234 [0,1,0,1,0,0|2,0,0]=4 20603 B13R1.135 CNC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000731044 [0,1,0,1,0,0|2,0,0]=4 20604 B13R1.135 CNC(=O)C(C)NC1CCCCC1 34a_100000182618_100000731044 [0,1,0,1,0,0|2,0,0]=4 20605 B13R1.135 CNC(=O)C(C)OC1CCCCC1 34a_100000210231_100000731044 [0,1,0,1,0,0|2,0,0]=4 20606 B13R1.135 CNC(=O)C(C)OC1CCCCC1 7a_100000210231_100000209862 [0,1,0,1,0,0|2,0,0]=4 20607 B13R1.135 CNC(=O)C(C)SC1CCCCC1 62a_100000209862_100000210327 [0,1,0,1,0,0|2,0,0]=4 20608 B13R1.135 CNC(=O)C(C)SC1CCCCC1 62a_100000210327_100000731044 [0,1,0,1,0,0|2,0,0]=4 20609 B13R1.135 CNC(=O)C(F)NC1CCCCC1 2230a_100000182618_100009813575 [0,1,0,1,0,0|2,0,0]=4 20610 B13R1.135 CNC(=O)C(F)NC1CCCCC1 34a_100000182618_100009813575 [0,1,0,1,0,0|2,0,0]=4 20611 B13R1.135 CNC(=O)C(F)OC1CCCCC1 34a_100000210231_100009813575 [0,1,0,1,0,0|2,0,0]=4 20612 B13R1.135 CNC(=O)C(F)OC1CCCCC1 7a_100000210231_100009813575 [0,1,0,1,0,0|2,0,0]=4 20613 B13R1.135 CNC(=O)C(F)SC1CCCCC1 62a_100000210327_100009813575 [0,1,0,1,0,0|2,0,0]=4 20614 B13R1.135 CNC(=O)C(F)SC1CCCCC1 62a_100009813575_100000210327 [0,1,0,1,0,0|2,0,0]=4 20615 B13R1.135 CNC(=O)N(C)CC1CCCCC1 2708a_100102657272_100000736448 [0,1,0,1,0,0|2,0,0]=4 20616 B13R1.135 CNC(=O)N(C)CC1CCCCC1 273464a_100102657272_100000736448 [0,1,0,1,0,0|2,0,0]=4 20617 B13R1.135 CNC(=O)[C@@H](C)NC1CCCCC1 34a_100000684985_100000210327 [0,1,0,1,0,0|2,0,0]=4 20618 B13R1.135 CNC(=O)[C@H](O)CC1CCCCC1 240690a_100102657272_100016183741 [0,1,0,1,0,0|1,0,0]=3 20619 B13R1.135 CNC(=O)[C@H](O)CC1CCCCC1 527a_100102657272_100016183741 [0,1,0,1,0,0|1,0,0]=3 20620 B13R1.135 COC(=O)C(=O)NC1CCCCC1 11a_100000182618_100000024059 [0,1,0,1,0,0|1,0,1]=4 20621 B13R1.135 COC(=O)C(=O)NC1CCCCC1 1626a_100000182618_100000024059 [0,1,0,1,0,0|1,0,1]=4 20622 B13R1.135 COC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100000024059 [0,1,0,1,0,0|1,0,1]=4 20623 B13R1.135 COC(=O)C(=O)NC1CCCCC1 527a_100000182618_100000024059 [0,1,0,1,0,0|1,0,1]=4 20624 B13R1.135 COC(=O)C(C)CN1CCCOC1 269982a_100000131196_100000698445 [0,1,0,1,0,0|2,0,0]=4 20625 B13R1.135 COC(=O)C(C)CN1CCCOC1 34a_100000131196_100000698445 [0,1,0,1,0,0|2,0,0]=4 20626 B13R1.135 COC(=O)C(C)CN1CCOCC1 269982a_100015191051_100000698445 [0,1,0,1,0,0|2,0,0]=4 20627 B13R1.135 COC(=O)C(C)CN1CCOCC1 34a_100015191051_100000698445 [0,1,0,1,0,0|2,0,0]=4 20628 B13R1.135 COC(=O)C(C)CN1CCSCC1 269982a_100000737611_100000698445 [0,1,0,1,0,0|2,0,0]=4 20629 B13R1.135 COC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000211248 [0,1,0,1,0,0|1,0,0]=3 20630 B13R1.135 COC(=O)C(C)NC1CCCCC1 34a_100000182618_100000211248 [0,1,0,1,0,0|1,0,0]=3 20631 B13R1.135 COC(=O)C(C)NC1CCCOC1 2230a_100000719290_100000211248 [0,1,0,1,0,0|2,0,0]=4 20632 B13R1.135 COC(=O)C(C)NC1CCCOC1 34a_100000719290_100000211248 [0,1,0,1,0,0|2,0,0]=4 20633 B13R1.135 COC(=O)C(C)NC1CCOCC1 2230a_100000741149_100000211248 [0,1,0,1,0,0|2,0,0]=4 20634 B13R1.135 COC(=O)C(C)NC1CCOCC1 34a_100000741149_100000211248 [0,1,0,1,0,0|2,0,0]=4 20635 B13R1.135 COC(=O)C(C)NC1CCSCC1 2230a_100000748639_100000211248 [0,1,0,1,0,0|2,0,0]=4 20636 B13R1.135 COC(=O)C(C)NC1CCSCC1 34a_100000748639_100000211248 [0,1,0,1,0,0|2,0,0]=4 20637 B13R1.135 COC(=O)C(C)OC1CCCCC1 34a_100000210231_100000211248 [0,1,0,1,0,0|1,0,0]=3 20638 B13R1.135 COC(=O)C(C)OC1CCCCC1 34a_100011215400_100000210327 [0,1,0,1,0,0|1,0,0]=3 20639 B13R1.135 COC(=O)C(C)OC1CCCCC1 7a_100000210231_100000211248 [0,1,0,1,0,0|1,0,0]=3 20640 B13R1.135 COC(=O)C(C)OC1CCCCO1 34a_100000033831_100000211248 [0,1,0,1,0,0|2,0,0]=4 20641 B13R1.135 COC(=O)C(C)OC1CCCOC1 34a_100000754041_100000211248 [0,1,0,1,0,0|2,0,0]=4 20642 B13R1.135 COC(=O)C(C)OC1CCCOC1 34a_100011215400_100000693364 [0,1,0,1,0,0|2,0,0]=4 20643 B13R1.135 COC(=O)C(C)OC1CCCSC1 7a_100015962668_100000211248 [0,1,0,1,0,0|2,0,0]=4 20644 B13R1.135 COC(=O)C(C)OC1CCOCC1 34a_100000744328_100000211248 [0,1,0,1,0,0|2,0,0]=4 20645 B13R1.135 COC(=O)C(C)OC1CCSCC1 34a_100000731022_100000211248 [0,1,0,1,0,0|2,0,0]=4 20646 B13R1.135 COC(=O)C(C)OC1CCSCC1 34a_100011215400_100000069128 [0,1,0,1,0,0|2,0,0]=4 20647 B13R1.135 COC(=O)C(C)OC1CCSCC1 7a_100000731022_100000211248 [0,1,0,1,0,0|2,0,0]=4 20648 B13R1.135 COC(=O)C(C)SC1CCCCC1 62a_100000210327_100000211248 [0,1,0,1,0,0|1,0,0]=3 20649 B13R1.135 COC(=O)C(C)SC1CCCCC1 62a_100000211248_100000210327 [0,1,0,1,0,0|1,0,0]=3 20650 B13R1.135 COC(=O)C(C)SC1CCCOC1 62a_100000211248_100000693364 [0,1,0,1,0,0|2,0,0]=4 20651 B13R1.135 COC(=O)C(C)SC1CCOCC1 62a_100000211248_100011324220 [0,1,0,1,0,0|2,0,0]=4 20652 B13R1.135 COC(=O)C(C)SC1CCSCC1 62a_100000211248_100000069128 [0,1,0,1,0,0|2,0,0]=4 20653 B13R1.135 O=C(CF)[C@H](O)CC1CCCCC1 1458a_100016183741_100015361967 [0,1,0,1,0,0|2,0,0]=4 20654 B13R1.217 COCC1CCN1C(C)C(=O)OC 2230a_100015195929_100000211248 [0,1,0,1,0,0|2,0,0]=4 20655 B13R1.217 COCC1CCN1C(C)C(=O)OC 269982a_100015195929_100000211248 [0,1,0,1,0,0|2,0,0]=4 20656 B13R1.217 COCC1CCN1C(C)C(=O)OC 34a_100015195929_100000211248 [0,1,0,1,0,0|2,0,0]=4 20657 B13R1.374 CCCN1CCCC(C1)C(=O)NC 2230a_100000754358_100000210303 [0,1,0,1,0,0|2,0,0]=4 20658 B13R1.374 CCCN1CCCC(C1)C(=O)NC 269982a_100000754358_100000210303 [0,1,0,1,0,0|2,0,0]=4 20659 B13R1.374 CCCN1CCCC(C1)C(=O)NC 34a_100000754358_100000210303 [0,1,0,1,0,0|2,0,0]=4 20660 B13R1.374 CCCN1CCC[C@@H](C1)C(=O)OC 2230a_100016988859_100000210303 [0,1,0,1,0,0|1,0,0]=3 20661 B13R1.374 CCCN1CCC[C@@H](C1)C(=O)OC 269982a_100016988859_100000210303 [0,1,0,1,0,0|1,0,0]=3 20662 B13R1.374 CCCN1CCOC(C1)C(=O)OC 2230a_100000751517_100000210303 [0,1,0,1,0,0|2,0,0]=4 20663 B13R1.374 CCCN1CCOC(C1)C(=O)OC 269982a_100000751517_100000210303 [0,1,0,1,0,0|2,0,0]=4 20664 B13R1.374 CCCN1CCOC(C1)C(=O)OC 34a_100000751517_100000210303 [0,1,0,1,0,0|2,0,0]=4 20665 B13R1.374 CCOC1CCCC(C1)C(=O)OC 34a_100012184231_100000210202 [0,1,0,1,0,0|1,0,0]=3 20666 B13R1.374 CCOC1CCCC(C1)C(=O)OC 7a_100012184231_100000210202 [0,1,0,1,0,0|1,0,0]=3 20667 B13R1.374 COC(=O)C1CCCC(C1)OCF 34a_100012184231_100015361967 [0,1,0,1,0,0|2,0,0]=4 20668 B13R1.374 COC(=O)C1CCCC(C1)OCF 7a_100012184231_100015361967 [0,1,0,1,0,0|2,0,0]=4 20669 B13R1.374 COC(=O)[C@H]1CCCN(C1)CCF 2230a_100016988859_100011217306 [0,1,0,1,0,0|2,0,0]=4 20670 B13R1.374 COC(=O)[C@H]1CCCN(C1)CCF 269982a_100016988859_100011217306 [0,1,0,1,0,0|2,0,0]=4 20671 B13R1.374 COC(=O)[C@H]1CCCN(C1)CCO 2230a_100016988859_100000211926 [0,1,0,1,0,0|2,0,0]=4 20672 B13R1.374 COC(=O)[C@H]1CCCN(C1)CCO 269982a_100016988859_100000211926 [0,1,0,1,0,0|2,0,0]=4 20673 B13R1.374 COC(=O)[C@H]1CCCN(C1)CSC 2230a_100016988859_100011218213 [0,1,0,1,0,0|2,0,0]=4 20674 B13R1.374 COC(=O)[C@H]1CCCN(C1)CSC 269982a_100016988859_100011218213 [0,1,0,1,0,0|2,0,0]=4 20675 B13R1.374 COCN1CCC[C@@H](C1)C(=O)OC 2230a_100016988859_100000766300 [0,1,0,1,0,0|2,0,0]=4 20676 B13R1.374 COCN1CCC[C@@H](C1)C(=O)OC 269982a_100016988859_100000766300 [0,1,0,1,0,0|2,0,0]=4 20677 B13R1.395 CCCN1CCC[C@@]1(C)C(=O)OC 2230a_100000719487_100000210303 [0,1,0,1,0,0|1,0,0]=3 20678 B13R1.395 CCCN1CCC[C@@]1(C)C(=O)OC 269982a_100000719487_100000210303 [0,1,0,1,0,0|1,0,0]=3 20679 B13R1.395 CCCN1CCC[C@@]1(C)C(=O)OC 34a_100000719487_100000210303 [0,1,0,1,0,0|1,0,0]=3 20680 B13R1.395 COC(=O)[C@@]1(CCCN1CCF)C 2230a_100000719487_100011217306 [0,1,0,1,0,0|2,0,0]=4 20681 B13R1.395 COC(=O)[C@@]1(CCCN1CCF)C 269982a_100000719487_100011217306 [0,1,0,1,0,0|2,0,0]=4 20682 B13R1.395 COC(=O)[C@@]1(CCCN1CCF)C 34a_100000719487_100011217306 [0,1,0,1,0,0|2,0,0]=4 20683 B13R1.395 COC(=O)[C@@]1(CCCN1CCO)C 2230a_100000719487_100000211926 [0,1,0,1,0,0|2,0,0]=4 20684 B13R1.395 COC(=O)[C@@]1(CCCN1CCO)C 269982a_100000719487_100000211926 [0,1,0,1,0,0|2,0,0]=4 20685 B13R1.395 COC(=O)[C@@]1(CCCN1CCO)C 34a_100000719487_100000211926 [0,1,0,1,0,0|2,0,0]=4 20686 B13R1.395 COC(=O)[C@@]1(CCCN1CSC)C 2230a_100000719487_100011218213 [0,1,0,1,0,0|2,0,0]=4 20687 B13R1.395 COC(=O)[C@@]1(CCCN1CSC)C 269982a_100000719487_100011218213 [0,1,0,1,0,0|2,0,0]=4 20688 B13R1.395 COC(=O)[C@@]1(CCCN1CSC)C 34a_100000719487_100011218213 [0,1,0,1,0,0|2,0,0]=4 20689 B13R1.395 COCN1CCC[C@@]1(C)C(=O)OC 2230a_100000719487_100000766300 [0,1,0,1,0,0|2,0,0]=4 20690 B13R1.395 COCN1CCC[C@@]1(C)C(=O)OC 269982a_100000719487_100000766300 [0,1,0,1,0,0|2,0,0]=4 20691 B13R1.495 CCCCN1CCC(C1)C(=O)NC 2230a_100020588580_100000210211 [0,1,0,1,0,0|2,0,0]=4 20692 B13R1.495 CCCCN1CCC(C1)C(=O)NC 269982a_100020588580_100000210211 [0,1,0,1,0,0|2,0,0]=4 20693 B13R1.495 CCCCN1CCC(C1)C(=O)NC 34a_100020588580_100000210210 [0,1,0,1,0,0|2,0,0]=4 20694 B13R1.495 CCCCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210211 [0,1,0,1,0,0|1,0,0]=3 20695 B13R1.495 CCCCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000210211 [0,1,0,1,0,0|1,0,0]=3 20696 B13R1.495 CCCOC1CCC(C1)C(=O)OC 34a_100010257243_100000210303 [0,1,0,1,0,0|1,0,0]=3 20697 B13R1.495 CCCOC1CCC(C1)C(=O)OC 7a_100010257243_100000210303 [0,1,0,1,0,0|1,0,0]=3 20698 B13R1.495 CCNC[C@H]1CC[C@H](C1)C(=O)OC 2230a_100015525214_200159312670 [0,1,0,1,0,0|1,0,0]=3 20699 B13R1.495 CCOCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000739092 [0,1,0,1,0,0|2,0,0]=4 20700 B13R1.495 CCOC[C@H]1CC[C@H](C1)C(=O)OC 34a_100015302752_100000210202 [0,1,0,1,0,0|1,0,0]=3 20701 B13R1.495 CCOC[C@H]1CC[C@H](C1)C(=O)OC 34a_100121572206_200159312670 [0,1,0,1,0,0|1,0,0]=3 20702 B13R1.495 CCOC[C@H]1CC[C@H](C1)C(=O)OC 7a_100015302752_100000210202 [0,1,0,1,0,0|1,0,0]=3 20703 B13R1.495 CCSC[C@H]1CC[C@H](C1)C(=O)OC 62a_100000210202_200159312670 [0,1,0,1,0,0|1,0,0]=3 20704 B13R1.495 CCSC[C@H]1CC[C@H](C1)C(=O)OC 62a_200159312670_100000210202 [0,1,0,1,0,0|1,0,0]=3 20705 B13R1.495 COC(=O)C1CCC(C1)OCCF 34a_100010257243_100011217306 [0,1,0,1,0,0|2,0,0]=4 20706 B13R1.495 COC(=O)C1CCC(C1)OCCF 7a_100010257243_100011217306 [0,1,0,1,0,0|2,0,0]=4 20707 B13R1.495 COC(=O)C1CCC(C1)OCCO 34a_100010257243_100000211926 [0,1,0,1,0,0|2,0,0]=4 20708 B13R1.495 COC(=O)C1CCC(C1)OCCO 7a_100010257243_100000211926 [0,1,0,1,0,0|2,0,0]=4 20709 B13R1.495 COC(=O)C1CCC(C1)OCSC 34a_100010257243_100011218213 [0,1,0,1,0,0|2,0,0]=4 20710 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCCF 2230a_100016989057_100011934791 [0,1,0,1,0,0|2,0,0]=4 20711 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCCF 269982a_100016989057_100011934791 [0,1,0,1,0,0|2,0,0]=4 20712 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCCO 2230a_100016989057_100000230001 [0,1,0,1,0,0|2,0,0]=4 20713 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCCO 269982a_100016989057_100011215043 [0,1,0,1,0,0|2,0,0]=4 20714 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCSC 2230a_100016989057_100000751147 [0,1,0,1,0,0|2,0,0]=4 20715 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCSC 269982a_100016989057_100000212216 [0,1,0,1,0,0|2,0,0]=4 20716 B13R1.495 COC(=O)[C@@H]1CC[C@@H](C1)COCF 34a_100015302752_100015361967 [0,1,0,1,0,0|2,0,0]=4 20717 B13R1.495 COC(=O)[C@@H]1CC[C@@H](C1)COCF 7a_100015302752_100015361967 [0,1,0,1,0,0|2,0,0]=4 20718 B13R1.495 COC(=O)[C@@H]1CC[C@@H](C1)CSCF 62a_100015361967_200159312670 [0,1,0,1,0,0|2,0,0]=4 20719 B13R1.495 COC(=O)[C@@H]1CC[C@@H](C1)CSCF 62a_200159312670_100015361967 [0,1,0,1,0,0|2,0,0]=4 20720 B13R1.495 COCCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100011201679 [0,1,0,1,0,0|2,0,0]=4 20721 B13R1.495 COCCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000233755 [0,1,0,1,0,0|2,0,0]=4 20722 B13R1.554 C=C(CNC1CCCC1)C(=O)OC 34a_100000211070_100009813391 [0,1,0,1,0,0|1,0,1]=4 20723 B13R1.554 C=C(COC1CCCC1)C(=O)OC 34a_100000210269_100009813391 [0,1,0,1,0,0|1,0,1]=4 20724 B13R1.554 C=C(CSC1CCCC1)C(=O)OC 62a_100009813391_100000179811 [0,1,0,1,0,0|1,0,1]=4 20725 B13R1.554 C=C(CSC1CCCC1)C(=O)OC 62a_100011217020_100009813391 [0,1,0,1,0,0|1,0,1]=4 20726 B13R1.554 CCC(=O)C(C)NCC1CCCC1 2230a_100000737975_100000742827 [0,1,0,1,0,0|2,0,0]=4 20727 B13R1.554 CCC(=O)C(C)OCC1CCCC1 7a_100000742336_100000742827 [0,1,0,1,0,0|2,0,0]=4 20728 B13R1.554 CCC(=O)C(C)SCC1CCCC1 62a_100000740388_100000742827 [0,1,0,1,0,0|2,0,0]=4 20729 B13R1.554 CCC(=O)C(C)SCC1CCCC1 62a_100000742827_100000740388 [0,1,0,1,0,0|2,0,0]=4 20730 B13R1.554 CNC(=O)C(=O)CCC1CCCC1 1458a_100011218921_100000760354 [0,1,0,1,0,0|1,0,1]=4 20731 B13R1.554 CNC(=O)C(C)CNC1CCCC1 2230a_100015187722_100000179811 [0,1,0,1,0,0|2,0,0]=4 20732 B13R1.554 CNC(=O)C(C)CNC1CCCC1 270004a_100015187722_100000210133 [0,1,0,1,0,0|2,0,0]=4 20733 B13R1.554 CNC(=O)C(C)CNC1CCCC1 34a_100015187722_100000179811 [0,1,0,1,0,0|2,0,0]=4 20734 B13R1.554 CNC(=O)C(C)NCC1CCCC1 2230a_100000737975_100000731044 [0,1,0,1,0,0|2,0,0]=4 20735 B13R1.554 CNC(=O)C(C)NCC1CCCC1 34a_100000737975_100000731044 [0,1,0,1,0,0|2,0,0]=4 20736 B13R1.554 CNC(=O)C(C)OCC1CCCC1 34a_100000742336_100000731044 [0,1,0,1,0,0|2,0,0]=4 20737 B13R1.554 CNC(=O)C(C)OCC1CCCC1 7a_100000742336_100000209862 [0,1,0,1,0,0|2,0,0]=4 20738 B13R1.554 CNC(=O)C(C)SCC1CCCC1 62a_100000209862_100000740388 [0,1,0,1,0,0|2,0,0]=4 20739 B13R1.554 CNC(=O)C(C)SCC1CCCC1 62a_100000740388_100000731044 [0,1,0,1,0,0|2,0,0]=4 20740 B13R1.554 CNC(=O)C(F)NCC1CCCC1 2230a_100000737975_100009813575 [0,1,0,1,0,0|2,0,0]=4 20741 B13R1.554 CNC(=O)C(F)NCC1CCCC1 34a_100000737975_100009813575 [0,1,0,1,0,0|2,0,0]=4 20742 B13R1.554 CNC(=O)C(F)OCC1CCCC1 34a_100000742336_100009813575 [0,1,0,1,0,0|2,0,0]=4 20743 B13R1.554 CNC(=O)C(F)OCC1CCCC1 7a_100000742336_100009813575 [0,1,0,1,0,0|2,0,0]=4 20744 B13R1.554 CNC(=O)C(F)SCC1CCCC1 62a_100000740388_100009813575 [0,1,0,1,0,0|2,0,0]=4 20745 B13R1.554 CNC(=O)C(F)SCC1CCCC1 62a_100009813575_100000740388 [0,1,0,1,0,0|2,0,0]=4 20746 B13R1.554 CNC(=O)[C@@H](C)NCC1CCCC1 2230a_100000684985_100000740388 [0,1,0,1,0,0|2,0,0]=4 20747 B13R1.554 CNC(=O)[C@@H](C)NCC1CCCC1 34a_100000684985_100000740388 [0,1,0,1,0,0|2,0,0]=4 20748 B13R1.554 COC(=O)C(=O)CNC1CCCC1 34a_100000211070_100011610305 [0,1,0,1,0,0|1,0,1]=4 20749 B13R1.554 COC(=O)C(=O)COC1CCCC1 34a_100000210269_100011610305 [0,1,0,1,0,0|1,0,1]=4 20750 B13R1.554 COC(=O)C(=O)CSC1CCCC1 62a_100011217020_100011610305 [0,1,0,1,0,0|1,0,1]=4 20751 B13R1.554 COC(=O)C(=O)CSC1CCCC1 62a_100011610305_100000179811 [0,1,0,1,0,0|1,0,1]=4 20752 B13R1.554 COC(=O)C(=O)NCC1CCCC1 11a_100000737975_100000024059 [0,1,0,1,0,0|1,0,1]=4 20753 B13R1.554 COC(=O)C(=O)NCC1CCCC1 1626a_100000737975_100000024059 [0,1,0,1,0,0|1,0,1]=4 20754 B13R1.554 COC(=O)C(=O)NCC1CCCC1 240690a_100000737975_100000024059 [0,1,0,1,0,0|1,0,1]=4 20755 B13R1.554 COC(=O)C(=O)NCC1CCCC1 527a_100000737975_100000024059 [0,1,0,1,0,0|1,0,1]=4 20756 B13R1.554 COC(=O)C(C)CCN1CCCC1 2230a_100000188435_100000034942 [0,1,0,1,0,0|1,0,0]=3 20757 B13R1.554 COC(=O)C(C)CCN1CCCC1 269982a_100000188435_100000034942 [0,1,0,1,0,0|1,0,0]=3 20758 B13R1.554 COC(=O)C(C)CCN1CCSC1 2230a_100011215254_100000034942 [0,1,0,1,0,0|2,0,0]=4 20759 B13R1.554 COC(=O)C(C)CCN1CCSC1 269982a_100011215254_100000034942 [0,1,0,1,0,0|2,0,0]=4 20760 B13R1.554 COC(=O)C(C)CNC1CCCC1 34a_100000211070_100000698445 [0,1,0,1,0,0|1,0,0]=3 20761 B13R1.554 COC(=O)C(C)CN[C@H]1CCOC1 34a_100015188467_100000698445 [0,1,0,1,0,0|2,0,0]=4 20762 B13R1.554 COC(=O)C(C)COC1CCCC1 34a_100000210269_100000698445 [0,1,0,1,0,0|1,0,0]=3 20763 B13R1.554 COC(=O)C(C)COC1CCCC1 34a_100000749362_100000179811 [0,1,0,1,0,0|1,0,0]=3 20764 B13R1.554 COC(=O)C(C)COC1CCCC1 7a_100000749362_100000179811 [0,1,0,1,0,0|1,0,0]=3 20765 B13R1.554 COC(=O)C(C)COC1CCCO1 34a_100000085407_100000698445 [0,1,0,1,0,0|2,0,0]=4 20766 B13R1.554 COC(=O)C(C)COC1CCOC1 34a_100000749362_100000690089 [0,1,0,1,0,0|2,0,0]=4 20767 B13R1.554 COC(=O)C(C)COC1CCOC1 7a_100000749362_100000731011 [0,1,0,1,0,0|2,0,0]=4 20768 B13R1.554 COC(=O)C(C)CO[C@H]1CCOC1 34a_100000717292_100000698445 [0,1,0,1,0,0|2,0,0]=4 20769 B13R1.554 COC(=O)C(C)CSC1CCCC1 62a_100000698445_100000179811 [0,1,0,1,0,0|1,0,0]=3 20770 B13R1.554 COC(=O)C(C)CSC1CCCC1 62a_100011217020_100000698445 [0,1,0,1,0,0|1,0,0]=3 20771 B13R1.554 COC(=O)C(C)CSC1CCOC1 62a_100000698445_100000690089 [0,1,0,1,0,0|2,0,0]=4 20772 B13R1.554 COC(=O)C(C)NCC1CCCC1 2230a_100000737975_100000211248 [0,1,0,1,0,0|1,0,0]=3 20773 B13R1.554 COC(=O)C(C)NCC1CCCC1 34a_100000737975_100000211248 [0,1,0,1,0,0|1,0,0]=3 20774 B13R1.554 COC(=O)C(C)NCC1CCOC1 2230a_100000737293_100000211248 [0,1,0,1,0,0|2,0,0]=4 20775 B13R1.554 COC(=O)C(C)NCC1CCOC1 34a_100000737293_100000211248 [0,1,0,1,0,0|2,0,0]=4 20776 B13R1.554 COC(=O)C(C)NC[C@@H]1CCCO1 2230a_100020590478_100000211248 [0,1,0,1,0,0|2,0,0]=4 20777 B13R1.554 COC(=O)C(C)NC[C@@H]1CCCO1 34a_100020590478_100000211248 [0,1,0,1,0,0|2,0,0]=4 20778 B13R1.554 COC(=O)C(C)OCC1CCCC1 34a_100000742336_100000211248 [0,1,0,1,0,0|1,0,0]=3 20779 B13R1.554 COC(=O)C(C)OCC1CCCC1 34a_100011215400_100000740388 [0,1,0,1,0,0|1,0,0]=3 20780 B13R1.554 COC(=O)C(C)OCC1CCCC1 7a_100000742336_100000211248 [0,1,0,1,0,0|1,0,0]=3 20781 B13R1.554 COC(=O)C(C)OCC1CCCO1 34a_100000210270_100000211248 [0,1,0,1,0,0|2,0,0]=4 20782 B13R1.554 COC(=O)C(C)OCC1CCCO1 7a_100000210270_100000211248 [0,1,0,1,0,0|2,0,0]=4 20783 B13R1.554 COC(=O)C(C)OCC1CCNC1 34a_100000748654_100000211248 [0,1,0,1,0,0|2,0,0]=4 20784 B13R1.554 COC(=O)C(C)OCC1CCOC1 34a_100000740260_100000211248 [0,1,0,1,0,0|2,0,0]=4 20785 B13R1.554 COC(=O)C(C)OCC1CCOC1 34a_100011215400_100011261433 [0,1,0,1,0,0|2,0,0]=4 20786 B13R1.554 COC(=O)C(C)OC[C@H]1CCCN1 34a_100000745186_100000211248 [0,1,0,1,0,0|2,0,0]=4 20787 B13R1.554 COC(=O)C(C)SCC1CCCC1 62a_100000211248_100000740388 [0,1,0,1,0,0|1,0,0]=3 20788 B13R1.554 COC(=O)C(C)SCC1CCCC1 62a_100000740388_100000211248 [0,1,0,1,0,0|1,0,0]=3 20789 B13R1.554 COC(=O)C(C)SCC1CCCO1 62a_100000203698_100000211248 [0,1,0,1,0,0|2,0,0]=4 20790 B13R1.554 COC(=O)C(C)SCC1CCCO1 62a_100000211248_100000203698 [0,1,0,1,0,0|2,0,0]=4 20791 B13R1.554 COC(=O)C(C)SCC1CCOC1 62a_100000211248_100000702531 [0,1,0,1,0,0|2,0,0]=4 20792 B13R1.554 COC(=O)C(C)SCC1CCOC1 62a_100000702531_100000211248 [0,1,0,1,0,0|2,0,0]=4 20793 B13R1.554 COC(=O)C(F)COC1CCCC1 34a_200009849844_100000179811 [0,1,0,1,0,0|1,0,0]=3 20794 B13R1.554 COC(=O)C(F)COC1CCOC1 34a_200009849844_100000690089 [0,1,0,1,0,0|2,0,0]=4 20795 B13R1.554 COC(=O)[C@H](N)COC1CCCC1 34a_100000003586_100000179811 [0,1,0,1,0,0|1,0,0]=3 20796 B13R1.554 COC(=O)[C@H](N)COC1CCOC1 34a_100000003586_100000690089 [0,1,0,1,0,0|2,0,0]=4 20797 B13R1.669 CCCCNC1CCC(=O)N(C1)C 2230a_100011935005_100000210211 [0,1,0,1,0,0|2,0,0]=4 20798 B13R1.669 CCCCNC1CCC(=O)N(C1)C 34a_100011935005_100000210210 [0,1,0,1,0,0|2,0,0]=4 20799 B13R1.696 CCC(=O)C(C)N1CCCCC1C 2230a_100000211376_100000742827 [0,1,0,1,0,0|2,0,0]=4 20800 B13R1.696 CCC(=O)C(C)N1CCCCC1C 269982a_100000211376_100000742827 [0,1,0,1,0,0|2,0,0]=4 20801 B13R1.696 CNC(=O)C(C)N1CCCCC1C 1626a_100102657272_100011243360 [0,1,0,1,0,0|2,0,0]=4 20802 B13R1.696 CNC(=O)C(C)N1CCCCC1C 2230a_100000211376_100000731044 [0,1,0,1,0,0|2,0,0]=4 20803 B13R1.696 CNC(=O)C(C)N1CCCCC1C 240690a_100102657272_100011243360 [0,1,0,1,0,0|2,0,0]=4 20804 B13R1.696 CNC(=O)C(C)N1CCCCC1C 269982a_100000211376_100000209862 [0,1,0,1,0,0|2,0,0]=4 20805 B13R1.696 CNC(=O)C(C)N1CCCCC1C 34a_100000211376_100000731044 [0,1,0,1,0,0|2,0,0]=4 20806 B13R1.696 CNC(=O)C(C)N1CCCCC1C 527a_100102657272_100011243360 [0,1,0,1,0,0|2,0,0]=4 20807 B13R1.696 CNC(=O)C(F)N1CCCCC1C 2230a_100000211376_100009813575 [0,1,0,1,0,0|2,0,0]=4 20808 B13R1.696 CNC(=O)C(F)N1CCCCC1C 269982a_100000211376_100009813575 [0,1,0,1,0,0|2,0,0]=4 20809 B13R1.696 CNC(=O)C(F)N1CCCCC1C 34a_100000211376_100009813575 [0,1,0,1,0,0|2,0,0]=4 20810 B13R1.696 COC(=O)C(=O)N1CCCCC1C 11a_100000211376_100000024059 [0,1,0,1,0,0|1,0,1]=4 20811 B13R1.696 COC(=O)C(=O)N1CCCCC1C 1626a_100000211376_100000024059 [0,1,0,1,0,0|1,0,1]=4 20812 B13R1.696 COC(=O)C(=O)N1CCCCC1C 240690a_100000211376_100000024059 [0,1,0,1,0,0|1,0,1]=4 20813 B13R1.696 COC(=O)C(=O)N1CCCCC1C 527a_100000211376_100000024059 [0,1,0,1,0,0|1,0,1]=4 20814 B13R1.696 COC(=O)C(C)N1CCCCC1C 2230a_100000211376_100000211248 [0,1,0,1,0,0|1,0,0]=3 20815 B13R1.696 COC(=O)C(C)N1CCCCC1C 269982a_100000211376_100000211248 [0,1,0,1,0,0|1,0,0]=3 20816 B13R1.696 COC(=O)C(C)N1CCCCC1C 34a_100000211376_100000211248 [0,1,0,1,0,0|1,0,0]=3 20817 B13R1.696 COC(=O)C(C)N1CCOC[C@@H]1C 2230a_100009815349_100000211248 [0,1,0,1,0,0|2,0,0]=4 20818 B13R1.696 COC(=O)C(C)N1CCOC[C@@H]1C 269982a_100009815349_100000211248 [0,1,0,1,0,0|2,0,0]=4 20819 B13R1.696 COC(=O)C(C)N1CCOC[C@@H]1C 34a_100009815349_100000211248 [0,1,0,1,0,0|2,0,0]=4 20820 B13R1.697 C=C(CNCCC1CC1)C(=O)OC 34a_100000764129_100009813391 [0,1,0,1,0,0|1,0,1]=4 20821 B13R1.697 C=C(COCCC1CC1)C(=O)OC 34a_100000754188_100009813391 [0,1,0,1,0,0|1,0,1]=4 20822 B13R1.697 C=C(CSCCC1CC1)C(=O)OC 62a_100000764125_100009813391 [0,1,0,1,0,0|1,0,1]=4 20823 B13R1.697 C=C(CSCCC1CC1)C(=O)OC 62a_100009813391_100000764125 [0,1,0,1,0,0|1,0,1]=4 20824 B13R1.697 CNC(=O)C(C)CNCCC1CC1 2230a_100015187722_100000694398 [0,1,0,1,0,0|2,0,0]=4 20825 B13R1.697 CNC(=O)C(C)CNCCC1CC1 34a_100015187722_100000694398 [0,1,0,1,0,0|2,0,0]=4 20826 B13R1.697 COC(=O)C(=O)CNCCC1CC1 34a_100000764129_100011610305 [0,1,0,1,0,0|1,0,1]=4 20827 B13R1.697 COC(=O)C(=O)COCCC1CC1 34a_100000754188_100011610305 [0,1,0,1,0,0|1,0,1]=4 20828 B13R1.697 COC(=O)C(=O)CSCCC1CC1 62a_100000764125_100011610305 [0,1,0,1,0,0|1,0,1]=4 20829 B13R1.697 COC(=O)C(=O)CSCCC1CC1 62a_100011610305_100000764125 [0,1,0,1,0,0|1,0,1]=4 20830 B13R1.697 COC(=O)C(C)CCNCC1CC1 2230a_100000735609_100000034942 [0,1,0,1,0,0|1,0,0]=3 20831 B13R1.697 COC(=O)C(C)CCNCC1CC1 34a_100000735609_100000034942 [0,1,0,1,0,0|1,0,0]=3 20832 B13R1.697 COC(=O)C(C)CCOCC1CC1 34a_100000211283_100000034942 [0,1,0,1,0,0|1,0,0]=3 20833 B13R1.697 COC(=O)C(C)CCOC[C@@H]1CO1 34a_100000757423_100000034942 [0,1,0,1,0,0|2,0,0]=4 20834 B13R1.697 COC(=O)C(C)CCSCC1CC1 62a_100000034942_100000742324 [0,1,0,1,0,0|1,0,0]=3 20835 B13R1.697 COC(=O)C(C)CCSCC1CC1 62a_100000756562_100000034942 [0,1,0,1,0,0|1,0,0]=3 20836 B13R1.697 COC(=O)C(C)CCSCC1CO1 62a_100000034942_102125554688 [0,1,0,1,0,0|2,0,0]=4 20837 B13R1.697 COC(=O)C(C)CCSCC1CO1 62a_102125554688_100000034942 [0,1,0,1,0,0|2,0,0]=4 20838 B13R1.697 COC(=O)C(C)CCSCC1CS1 62a_100000031435_100000034942 [0,1,0,1,0,0|2,0,0]=4 20839 B13R1.697 COC(=O)C(C)CCSCC1CS1 62a_100000034942_100000031435 [0,1,0,1,0,0|2,0,0]=4 20840 B13R1.697 COC(=O)C(C)CCSC[C@@H]1CO1 62a_100000034942_100000745022 [0,1,0,1,0,0|2,0,0]=4 20841 B13R1.697 COC(=O)C(C)CCSC[C@@H]1CO1 62a_100000745022_100000034942 [0,1,0,1,0,0|2,0,0]=4 20842 B13R1.697 COC(=O)C(C)CNCCC1CC1 34a_100000764129_100000698445 [0,1,0,1,0,0|1,0,0]=3 20843 B13R1.697 COC(=O)C(C)COCCC1CC1 34a_100000749362_100000694398 [0,1,0,1,0,0|1,0,0]=3 20844 B13R1.697 COC(=O)C(C)COCCC1CC1 34a_100000754188_100000698445 [0,1,0,1,0,0|1,0,0]=3 20845 B13R1.697 COC(=O)C(C)COCCC1CC1 7a_100000749362_100000764125 [0,1,0,1,0,0|1,0,0]=3 20846 B13R1.697 COC(=O)C(C)COCCC1CO1 34a_100000749362_100000732470 [0,1,0,1,0,0|2,0,0]=4 20847 B13R1.697 COC(=O)C(C)COCCC1CO1 7a_100000749362_100000732470 [0,1,0,1,0,0|2,0,0]=4 20848 B13R1.697 COC(=O)C(C)COCC[C@@H]1CO1 34a_100009820653_100000698445 [0,1,0,1,0,0|2,0,0]=4 20849 B13R1.697 COC(=O)C(C)CSCCC1CC1 62a_100000698445_100000764125 [0,1,0,1,0,0|1,0,0]=3 20850 B13R1.697 COC(=O)C(C)CSCCC1CC1 62a_100000764125_100000698445 [0,1,0,1,0,0|1,0,0]=3 20851 B13R1.697 COC(=O)C(C)CSCCC1CO1 62a_100000698445_100000732470 [0,1,0,1,0,0|2,0,0]=4 20852 B13R1.697 COC(=O)C(C)CSCCC1CO1 62a_100000732470_100000698445 [0,1,0,1,0,0|2,0,0]=4 20853 B13R1.697 COC(=O)C(C)OCCCC1CO1 34a_100011215400_100000733510 [0,1,0,1,0,0|2,0,0]=4 20854 B13R1.697 COC(=O)C(C)OCCNC1CC1 34a_100000738766_100000211248 [0,1,0,1,0,0|2,0,0]=4 20855 B13R1.697 COC(=O)C(C)SCCCC1CO1 62a_100000211248_100000733510 [0,1,0,1,0,0|2,0,0]=4 20856 B13R1.697 COC(=O)C(C)SCCCC1CO1 62a_100000733510_100000211248 [0,1,0,1,0,0|2,0,0]=4 20857 B13R1.697 COC(=O)C(F)COCCC1CC1 34a_200009849844_100000694398 [0,1,0,1,0,0|1,0,0]=3 20858 B13R1.697 COC(=O)C(F)COCCC1CO1 34a_200009849844_100000732470 [0,1,0,1,0,0|2,0,0]=4 20859 B13R1.697 COC(=O)[C@H](N)COCCC1CC1 34a_100000003586_100000694398 [0,1,0,1,0,0|1,0,0]=3 20860 B13R1.697 COC(=O)[C@H](N)COCCC1CO1 34a_100000003586_100000732470 [0,1,0,1,0,0|2,0,0]=4 20861 B13R1.698 COC(=O)C(C)CCN1CCC1C 269982a_100000755817_100000034942 [0,1,0,1,0,0|1,0,0]=3 20862 B13R1.698 COC(=O)C(C)CCN1CCC1C 34a_100000755817_100000034942 [0,1,0,1,0,0|1,0,0]=3 20863 B13R1.702 C=C(CNCC1CCC1)C(=O)OC 34a_100000738700_100009813391 [0,1,0,1,0,0|1,0,1]=4 20864 B13R1.702 C=C(COCC1CCC1)C(=O)OC 34a_100000760304_100009813391 [0,1,0,1,0,0|1,0,1]=4 20865 B13R1.702 C=C(CSCC1CCC1)C(=O)OC 62a_100000763275_100009813391 [0,1,0,1,0,0|1,0,1]=4 20866 B13R1.702 C=C(CSCC1CCC1)C(=O)OC 62a_100009813391_100000763275 [0,1,0,1,0,0|1,0,1]=4 20867 B13R1.702 CNC(=O)C(C)CNCC1CCC1 2230a_100015187722_100000763275 [0,1,0,1,0,0|2,0,0]=4 20868 B13R1.702 CNC(=O)C(C)CNCC1CCC1 269862a_100015187722_100000753134 [0,1,0,1,0,0|2,0,0]=4 20869 B13R1.702 CNC(=O)C(C)CNCC1CCC1 34a_100015187722_100000763275 [0,1,0,1,0,0|2,0,0]=4 20870 B13R1.702 COC(=O)C(=O)CNCC1CCC1 34a_100000738700_100011610305 [0,1,0,1,0,0|1,0,1]=4 20871 B13R1.702 COC(=O)C(=O)COCC1CCC1 34a_100000760304_100011610305 [0,1,0,1,0,0|1,0,1]=4 20872 B13R1.702 COC(=O)C(=O)CSCC1CCC1 62a_100000763275_100011610305 [0,1,0,1,0,0|1,0,1]=4 20873 B13R1.702 COC(=O)C(=O)CSCC1CCC1 62a_100011610305_100000763275 [0,1,0,1,0,0|1,0,1]=4 20874 B13R1.702 COC(=O)C(C)CCNC1CCC1 2230a_100000749019_100000034942 [0,1,0,1,0,0|1,0,0]=3 20875 B13R1.702 COC(=O)C(C)CCNC1CCC1 34a_100000749019_100000034942 [0,1,0,1,0,0|1,0,0]=3 20876 B13R1.702 COC(=O)C(C)CCNC1COC1 2230a_100016991112_100000034942 [0,1,0,1,0,0|2,0,0]=4 20877 B13R1.702 COC(=O)C(C)CCOC1CCC1 34a_100000748187_100000034942 [0,1,0,1,0,0|1,0,0]=3 20878 B13R1.702 COC(=O)C(C)CCOC1CSC1 7a_100000072292_100000034942 [0,1,0,1,0,0|2,0,0]=4 20879 B13R1.702 COC(=O)C(C)CCSC1CCC1 62a_100000034942_100000749161 [0,1,0,1,0,0|1,0,0]=3 20880 B13R1.702 COC(=O)C(C)CCSC1COC1 62a_100000034942_100009818527 [0,1,0,1,0,0|2,0,0]=4 20881 B13R1.702 COC(=O)C(C)CNCC1CCC1 34a_100000738700_100000698445 [0,1,0,1,0,0|1,0,0]=3 20882 B13R1.702 COC(=O)C(C)CNCC1COC1 34a_100015281925_100000698445 [0,1,0,1,0,0|2,0,0]=4 20883 B13R1.702 COC(=O)C(C)CNC[C@@H]1CCO1 34a_100020831831_100000698445 [0,1,0,1,0,0|2,0,0]=4 20884 B13R1.702 COC(=O)C(C)COCC1CCC1 34a_100000749362_100000763275 [0,1,0,1,0,0|1,0,0]=3 20885 B13R1.702 COC(=O)C(C)COCC1CCC1 34a_100000760304_100000698445 [0,1,0,1,0,0|1,0,0]=3 20886 B13R1.702 COC(=O)C(C)COCC1CCC1 7a_100000749362_100000763275 [0,1,0,1,0,0|1,0,0]=3 20887 B13R1.702 COC(=O)C(C)COCC1CCO1 34a_100000039022_100000698445 [0,1,0,1,0,0|2,0,0]=4 20888 B13R1.702 COC(=O)C(C)COCC1CCO1 34a_100000749362_100000103362 [0,1,0,1,0,0|2,0,0]=4 20889 B13R1.702 COC(=O)C(C)COCC1CCO1 7a_100000749362_100000103362 [0,1,0,1,0,0|2,0,0]=4 20890 B13R1.702 COC(=O)C(C)COCC1CNC1 34a_100016987283_100000698445 [0,1,0,1,0,0|2,0,0]=4 20891 B13R1.702 COC(=O)C(C)COCC1COC1 34a_100000060846_100000698445 [0,1,0,1,0,0|2,0,0]=4 20892 B13R1.702 COC(=O)C(C)COCC1COC1 34a_100000749362_100010264016 [0,1,0,1,0,0|2,0,0]=4 20893 B13R1.702 COC(=O)C(C)COCC1COC1 7a_100000749362_100010264016 [0,1,0,1,0,0|2,0,0]=4 20894 B13R1.702 COC(=O)C(C)CSCC1CCC1 62a_100000698445_100000763275 [0,1,0,1,0,0|1,0,0]=3 20895 B13R1.702 COC(=O)C(C)CSCC1CCC1 62a_100000763275_100000698445 [0,1,0,1,0,0|1,0,0]=3 20896 B13R1.702 COC(=O)C(C)CSCC1CCO1 62a_100000103362_100000698445 [0,1,0,1,0,0|2,0,0]=4 20897 B13R1.702 COC(=O)C(C)CSCC1CCO1 62a_100000698445_100000103362 [0,1,0,1,0,0|2,0,0]=4 20898 B13R1.702 COC(=O)C(C)CSCC1COC1 62a_100000698445_100010264016 [0,1,0,1,0,0|2,0,0]=4 20899 B13R1.702 COC(=O)C(C)CSCC1COC1 62a_100010264016_100000698445 [0,1,0,1,0,0|2,0,0]=4 20900 B13R1.702 COC(=O)C(C)OCCC1COC1 34a_100009855314_100000211248 [0,1,0,1,0,0|2,0,0]=4 20901 B13R1.702 COC(=O)C(F)COCC1CCC1 34a_200009849844_100000763275 [0,1,0,1,0,0|1,0,0]=3 20902 B13R1.702 COC(=O)C(F)COCC1CCO1 34a_200009849844_100000103362 [0,1,0,1,0,0|2,0,0]=4 20903 B13R1.702 COC(=O)C(F)COCC1COC1 34a_200009849844_100010264016 [0,1,0,1,0,0|2,0,0]=4 20904 B13R1.702 COC(=O)[C@H](N)COCC1CCC1 34a_100000003586_100000763275 [0,1,0,1,0,0|1,0,0]=3 20905 B13R1.702 COC(=O)[C@H](N)COCC1CCO1 34a_100000003586_100000103362 [0,1,0,1,0,0|2,0,0]=4 20906 B13R1.702 COC(=O)[C@H](N)COCC1COC1 34a_100000003586_100010264016 [0,1,0,1,0,0|2,0,0]=4 20907 B13R1.704 C=C(CN1CCC[C@H]1C)C(=O)OC 34a_100015189458_100009813391 [0,1,0,1,0,0|1,0,1]=4 20908 B13R1.704 CCC(=O)C(C)OC1CCCC1C 7a_100011216460_100000742827 [0,1,0,1,0,0|2,0,0]=4 20909 B13R1.704 CNC(=O)C(C)OC1CCCC1C 34a_100011216460_100000731044 [0,1,0,1,0,0|2,0,0]=4 20910 B13R1.704 CNC(=O)C(C)OC1CCCC1C 7a_100011216460_100000209862 [0,1,0,1,0,0|2,0,0]=4 20911 B13R1.704 CNC(=O)C(F)OC1CCCC1C 34a_100011216460_100009813575 [0,1,0,1,0,0|2,0,0]=4 20912 B13R1.704 CNC(=O)C(F)OC1CCCC1C 7a_100011216460_100009813575 [0,1,0,1,0,0|2,0,0]=4 20913 B13R1.704 COC(=O)C(=O)CN1CCC[C@H]1C 34a_100015189458_100011610305 [0,1,0,1,0,0|1,0,1]=4 20914 B13R1.704 COC(=O)C(C)CN1CCC[C@@H]1C 269982a_100020605311_100000698445 [0,1,0,1,0,0|1,0,0]=3 20915 B13R1.704 COC(=O)C(C)CN1CCC[C@H]1C 269982a_100015189458_100000698445 [0,1,0,1,0,0|1,0,0]=3 20916 B13R1.704 COC(=O)C(C)CN1CCC[C@H]1C 34a_100015189458_100000698445 [0,1,0,1,0,0|1,0,0]=3 20917 B13R1.704 COC(=O)C(C)CN1CCSC1C 269982a_200011216479_100000698445 [0,1,0,1,0,0|2,0,0]=4 20918 B13R1.704 COC(=O)C(C)CN1CCSC1C 34a_200011216479_100000698445 [0,1,0,1,0,0|2,0,0]=4 20919 B13R1.704 COC(=O)C(C)OC1CCCC1C 34a_100011216460_100000211248 [0,1,0,1,0,0|1,0,0]=3 20920 B13R1.704 COC(=O)C(C)OC1CCCC1C 7a_100011216460_100000211248 [0,1,0,1,0,0|1,0,0]=3 20921 B13R1.704 COC(=O)C(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000211248 [0,1,0,1,0,0|2,0,0]=4 20922 B13R1.704 COC(=O)C(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_100000211248 [0,1,0,1,0,0|2,0,0]=4 20923 B13R1.704 COC(=O)C(C)O[C@H]1CNC[C@H]1C 34a_200015306588_100000211248 [0,1,0,1,0,0|2,0,0]=4 20924 B13R1.704 COC(=O)C(C)S[C@@H]1CCC[C@H]1O 62a_100000211248_200016002552 [0,1,0,1,0,0|2,0,0]=4 20925 B13R1.704 COC(=O)C(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000211248 [0,1,0,1,0,0|2,0,0]=4 20926 B13R1.1151 CCCCCN1CC(C1)C(=O)NC 34a_100000703363_100000718602 [0,1,0,1,0,0|2,0,0]=4 20927 B13R1.1151 CCCCCN1CC(C1)C(=O)OC 269982a_100015188540_100000210215 [0,1,0,1,0,0|1,0,0]=3 20928 B13R1.1151 CCCCNC1CC(C1)C(=O)OC 7a_106832991798_100009897219 [0,1,0,1,0,0|1,0,0]=3 20929 B13R1.1151 CCCCOC1CC(C1)C(=O)OC 34a_100000210227_100009897219 [0,1,0,1,0,0|1,0,0]=3 20930 B13R1.1151 CCCCOC1CC(C1)C(=O)OC 7a_100000076263_100000210211 [0,1,0,1,0,0|1,0,0]=3 20931 B13R1.1151 CCCCOC1CC(C1)C(=O)OC 7a_100000210227_100009897219 [0,1,0,1,0,0|1,0,0]=3 20932 B13R1.1151 CCCCSC1CC(C1)C(=O)OC 62a_100000210211_100009897219 [0,1,0,1,0,0|1,0,0]=3 20933 B13R1.1151 CCCCSC1CC(C1)C(=O)OC 62a_100009897219_100000210210 [0,1,0,1,0,0|1,0,0]=3 20934 B13R1.1151 CCCOCC1CC(C1)C(=O)OC 34a_100009884387_100000210303 [0,1,0,1,0,0|1,0,0]=3 20935 B13R1.1151 CCCOCC1CC(C1)C(=O)OC 7a_100009884387_100000210303 [0,1,0,1,0,0|1,0,0]=3 20936 B13R1.1151 CCOCCN1CC(C1)C(=O)OC 269982a_100015188540_100011215890 [0,1,0,1,0,0|2,0,0]=4 20937 B13R1.1151 CCOCSC1CC(C1)C(=O)OC 62a_100000739092_100009897219 [0,1,0,1,0,0|2,0,0]=4 20938 B13R1.1151 CCOCSC1CC(C1)C(=O)OC 62a_100009897219_100000739092 [0,1,0,1,0,0|2,0,0]=4 20939 B13R1.1151 CCSCCN1CC(C1)C(=O)OC 269982a_100015188540_100000757381 [0,1,0,1,0,0|2,0,0]=4 20940 B13R1.1151 COC(=O)C1CC(C1)COCCF 34a_100009884387_100011217306 [0,1,0,1,0,0|2,0,0]=4 20941 B13R1.1151 COC(=O)C1CC(C1)COCCF 7a_100009884387_100011217306 [0,1,0,1,0,0|2,0,0]=4 20942 B13R1.1151 COC(=O)C1CC(C1)COCCO 34a_100009884387_100000211926 [0,1,0,1,0,0|2,0,0]=4 20943 B13R1.1151 COC(=O)C1CC(C1)COCCO 7a_100009884387_100000211926 [0,1,0,1,0,0|2,0,0]=4 20944 B13R1.1151 COC(=O)C1CC(C1)COCSC 34a_100009884387_100011218213 [0,1,0,1,0,0|2,0,0]=4 20945 B13R1.1151 COC(=O)C1CC(C1)NCCCF 34a_100015189416_100009897219 [0,1,0,1,0,0|2,0,0]=4 20946 B13R1.1151 COC(=O)C1CC(C1)OCCCBr 34a_100011217188_100009897219 [0,1,0,1,0,0|2,0,0]=4 20947 B13R1.1151 COC(=O)C1CC(C1)OCCCCl 34a_100000230001_100009897219 [0,1,0,1,0,0|2,0,0]=4 20948 B13R1.1151 COC(=O)C1CC(C1)OCCCF 34a_100000759539_100009897219 [0,1,0,1,0,0|2,0,0]=4 20949 B13R1.1151 COC(=O)C1CC(C1)OCCCF 7a_100000076263_100011934791 [0,1,0,1,0,0|2,0,0]=4 20950 B13R1.1151 COC(=O)C1CC(C1)OCCCN 34a_100000182051_100009897219 [0,1,0,1,0,0|2,0,0]=4 20951 B13R1.1151 COC(=O)C1CC(C1)OCCCO 7a_100000076263_100011215043 [0,1,0,1,0,0|2,0,0]=4 20952 B13R1.1151 COC(=O)C1CC(C1)OCCSC 34a_100000230434_100009897219 [0,1,0,1,0,0|2,0,0]=4 20953 B13R1.1151 COC(=O)C1CC(C1)OCCSC 7a_100000076263_100000212216 [0,1,0,1,0,0|2,0,0]=4 20954 B13R1.1151 COC(=O)C1CC(C1)OCCSC 7a_100000230434_100009897219 [0,1,0,1,0,0|2,0,0]=4 20955 B13R1.1151 COC(=O)C1CC(C1)SCCCF 62a_100009897219_100011934791 [0,1,0,1,0,0|2,0,0]=4 20956 B13R1.1151 COC(=O)C1CC(C1)SCCCF 62a_100011934791_100009897219 [0,1,0,1,0,0|2,0,0]=4 20957 B13R1.1151 COC(=O)C1CC(C1)SCCCO 62a_100009897219_100011215043 [0,1,0,1,0,0|2,0,0]=4 20958 B13R1.1151 COC(=O)C1CC(C1)SCCCO 62a_100011215043_100009897219 [0,1,0,1,0,0|2,0,0]=4 20959 B13R1.1151 COC(=O)C1CC(C1)SCCSC 62a_100000212216_100009897219 [0,1,0,1,0,0|2,0,0]=4 20960 B13R1.1151 COC(=O)C1CC(C1)SCCSC 62a_100009897219_100000751147 [0,1,0,1,0,0|2,0,0]=4 20961 B13R1.1151 COC(=O)C1CN(C1)CCCCF 269982a_100015188540_100000729493 [0,1,0,1,0,0|2,0,0]=4 20962 B13R1.1151 COC(=O)C1CN(C1)CCCCO 269982a_100015188540_100000210776 [0,1,0,1,0,0|2,0,0]=4 20963 B13R1.1151 COCCCN1CC(C1)C(=O)OC 269982a_100015188540_100000740836 [0,1,0,1,0,0|2,0,0]=4 20964 B13R1.1151 COCCOC1CC(C1)C(=O)OC 34a_100000210237_100009897219 [0,1,0,1,0,0|2,0,0]=4 20965 B13R1.1151 COCCOC1CC(C1)C(=O)OC 7a_100000076263_100000233755 [0,1,0,1,0,0|2,0,0]=4 20966 B13R1.1151 COCCSC1CC(C1)C(=O)OC 62a_100000233755_100009897219 [0,1,0,1,0,0|2,0,0]=4 20967 B13R1.1151 COCCSC1CC(C1)C(=O)OC 62a_100009897219_100000233755 [0,1,0,1,0,0|2,0,0]=4 20968 B13R1.1689 C=CC(=O)N1CCCCCCCC1 1626a_100000039187_100000185746 [0,1,0,1,0,0|1,0,1]=4 20969 B13R1.1689 C=CC(=O)N1CCCCCCCC1 240690a_100000039187_200121576911 [0,1,0,1,0,0|1,0,1]=4 20970 B13R1.1689 CCC(=O)N1CCCCCCCC1 11a_100000039187_100000210414 [0,1,0,1,0,0|1,0,0]=3 20971 B13R1.1689 CCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210414 [0,1,0,1,0,0|1,0,0]=3 20972 B13R1.1689 CCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210414 [0,1,0,1,0,0|1,0,0]=3 20973 B13R1.1689 CCC(=O)N1CCCCCCCC1 527a_100000039187_100000210414 [0,1,0,1,0,0|1,0,0]=3 20974 B13R1.1689 CNC(=O)N1CCCCCCCC1 2708a_100102657272_100000039187 [0,1,0,1,0,0|1,0,0]=3 20975 B13R1.1689 CNC(=O)N1CCCCCCCC1 273464a_100102657272_100000039187 [0,1,0,1,0,0|1,0,0]=3 20976 B13R1.1689 COC(C)N1CCCCCCCC1 269982a_100000039187_100009879195 [0,1,0,1,0,0|1,0,1]=4 20977 B13R1.1689 O=C(CO)N1CCCCCCCC1 240690a_100000039187_100000210174 [0,1,0,1,0,0|2,0,0]=4 20978 B13R1.1689 O=C(CO)N1CCCCCCCC1 527a_100000039187_100000210174 [0,1,0,1,0,0|2,0,0]=4 20979 B13R1.1878 C=C(COCC1CC1C)C(=O)OC 34a_100000744939_100009813391 [0,1,0,1,0,0|1,0,1]=4 20980 B13R1.1878 COC(=O)C(=O)COCC1CC1C 34a_100000744939_100011610305 [0,1,0,1,0,0|1,0,1]=4 20981 B13R1.1878 COC(=O)C(C)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000034942 [0,1,0,1,0,0|2,0,0]=4 20982 B13R1.1878 COC(=O)C(C)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000034942 [0,1,0,1,0,0|2,0,0]=4 20983 B13R1.1878 COC(=O)C(C)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000034942 [0,1,0,1,0,0|2,0,0]=4 20984 B13R1.1878 COC(=O)C(C)COCC1CC1C 34a_100000744939_100000698445 [0,1,0,1,0,0|1,0,0]=3 20985 B13R1.1885 C#CCCCCN1CC1C(=O)OC 2230a_200009830135_100010269958 [0,1,0,1,0,0|0,0,2]=4 20986 B13R1.1885 C=CCCCCN1CC1C(=O)OC 2230a_200009830135_100011215482 [0,1,0,1,0,0|0,0,2]=4 20987 B13R1.1885 CC/C=C\CCN1CC1C(=O)OC 2230a_200009830135_100015370543 [0,1,0,1,0,0|0,0,2]=4 20988 B13R1.1885 CCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210314 [0,1,0,1,0,0|0,0,0]=2 20989 B13R1.1885 CCCCOCN1CC1C(=O)OC 2230a_200009830135_100011995733 [0,1,0,1,0,0|1,0,0]=3 20990 B13R1.1885 CCCOCCN1CC1C(=O)OC 2230a_200009830135_100011215938 [0,1,0,1,0,0|1,0,0]=3 20991 B13R1.1885 CCOCCCN1CC1C(=O)OC 2230a_200009830135_100012232248 [0,1,0,1,0,0|1,0,0]=3 20992 B13R1.1885 COC(=O)C1CN1CCCCC#N 2230a_200009830135_100000211819 [0,1,0,1,0,0|1,0,1]=4 20993 B13R1.1885 COC(=O)C1CN1CCCCC=O 2230a_200009830135_100000139335 [0,1,0,1,0,0|1,0,1]=4 20994 B13R1.1885 COC(=O)C1CN1CCCCCF 2230a_200009830135_100000729378 [0,1,0,1,0,0|1,0,0]=3 20995 B13R1.1885 COC(=O)C1CN1CCCCCO 2230a_200009830135_100000746330 [0,1,0,1,0,0|1,0,0]=3 20996 B13R1.1885 COC(=O)C1CN1CCOCCO 2230a_200009830135_100011215305 [0,1,0,1,0,0|2,0,0]=4 20997 B13R1.1885 COCCCCN1CC1C(=O)OC 2230a_200009830135_100000730899 [0,1,0,1,0,0|1,0,0]=3 20998 B13R1.1885 COCCOCN1CC1C(=O)OC 2230a_200009830135_100000231047 [0,1,0,1,0,0|2,0,0]=4 20999 B13R1.2620 CCC(=O)C(C)N1CCCCCC1 1458a_100000755792_100000210202 [0,1,0,1,0,0|2,0,0]=4 21000 B13R1.2620 CCC(=O)C(C)N1CCCCCC1 2230a_100000185865_100000742827 [0,1,0,1,0,0|2,0,0]=4 21001 B13R1.2620 CCC(=O)C(C)N1CCCCCC1 269982a_100000185865_100000742827 [0,1,0,1,0,0|2,0,0]=4 21002 B13R1.2620 CCC(=O)N(C)C1CCCCCC1 11a_100015185097_100000210414 [0,1,0,1,0,0|2,0,0]=4 21003 B13R1.2620 CCC(=O)N(C)C1CCCCCC1 1626a_100015185097_100000210414 [0,1,0,1,0,0|2,0,0]=4 21004 B13R1.2620 CCC(=O)N(C)C1CCCCCC1 240690a_100015185097_100000210414 [0,1,0,1,0,0|2,0,0]=4 21005 B13R1.2620 CCC(=O)N(C)C1CCCCCC1 527a_100015185097_100000210414 [0,1,0,1,0,0|2,0,0]=4 21006 B13R1.2620 CNC(=O)C(=O)C1CCCCCC1 1458a_100011218921_100011217769 [0,1,0,1,0,0|1,0,1]=4 21007 B13R1.2620 CNC(=O)C(C)N1CCCCCC1 2230a_100000185865_100000731044 [0,1,0,1,0,0|2,0,0]=4 21008 B13R1.2620 CNC(=O)C(C)N1CCCCCC1 240690a_100102657272_100000755792 [0,1,0,1,0,0|2,0,0]=4 21009 B13R1.2620 CNC(=O)C(C)N1CCCCCC1 269982a_100000185865_100000209862 [0,1,0,1,0,0|2,0,0]=4 21010 B13R1.2620 CNC(=O)C(C)N1CCCCCC1 34a_100000185865_100000731044 [0,1,0,1,0,0|2,0,0]=4 21011 B13R1.2620 CNC(=O)C(C)N1CCCCCC1 527a_100102657272_100000755792 [0,1,0,1,0,0|2,0,0]=4 21012 B13R1.2620 CNC(=O)C(F)N1CCCCCC1 2230a_100000185865_100009813575 [0,1,0,1,0,0|2,0,0]=4 21013 B13R1.2620 CNC(=O)C(F)N1CCCCCC1 269982a_100000185865_100009813575 [0,1,0,1,0,0|2,0,0]=4 21014 B13R1.2620 CNC(=O)C(F)N1CCCCCC1 34a_100000185865_100009813575 [0,1,0,1,0,0|2,0,0]=4 21015 B13R1.2620 CNC(=O)N(C)C1CCCCCC1 2708a_100102657272_100015185097 [0,1,0,1,0,0|2,0,0]=4 21016 B13R1.2620 CNC(=O)N(C)C1CCCCCC1 273464a_100102657272_100015185097 [0,1,0,1,0,0|2,0,0]=4 21017 B13R1.2620 COC(=O)C(=O)N1CCCCCC1 11a_100000185865_100000024059 [0,1,0,1,0,0|1,0,1]=4 21018 B13R1.2620 COC(=O)C(=O)N1CCCCCC1 1626a_100000185865_100000024059 [0,1,0,1,0,0|1,0,1]=4 21019 B13R1.2620 COC(=O)C(=O)N1CCCCCC1 240690a_100000185865_100000024059 [0,1,0,1,0,0|1,0,1]=4 21020 B13R1.2620 COC(=O)C(=O)N1CCCCCC1 527a_100000185865_100000024059 [0,1,0,1,0,0|1,0,1]=4 21021 B13R1.2620 COC(=O)C(C)N1CCCCCC1 2230a_100000185865_100000211248 [0,1,0,1,0,0|1,0,0]=3 21022 B13R1.2620 COC(=O)C(C)N1CCCCCC1 269982a_100000185865_100000211248 [0,1,0,1,0,0|1,0,0]=3 21023 B13R1.2620 COC(=O)C(C)N1CCCCCC1 34a_100000185865_100000211248 [0,1,0,1,0,0|1,0,0]=3 21024 B13R1.2620 COC(=O)C(C)N1CCCOCC1 2230a_100000685342_100000211248 [0,1,0,1,0,0|2,0,0]=4 21025 B13R1.2620 COC(=O)C(C)N1CCCOCC1 269982a_100000685342_100000211248 [0,1,0,1,0,0|2,0,0]=4 21026 B13R1.2620 COC(=O)C(C)N1CCCOCC1 34a_100000685342_100000211248 [0,1,0,1,0,0|2,0,0]=4 21027 B13R1.189 CCCCCCN1CC[C@H](C1)OC 2230a_100000766984_100000210314 [0,1,0,1,0,0|1,0,1]=4 21028 B13R1.189 CCCCCCN1CC[C@H](C1)OC 269982a_100000766984_100000210757 [0,1,0,1,0,0|1,0,1]=4 21029 B13R1.371 CCCCCC1CCC(CC1)OC 34a_100000066488_200000210301 [0,1,0,1,0,0|1,0,1]=4 21030 B13R1.371 CCCCCC1CCC(CC1)OC 7a_100000066488_200000210301 [0,1,0,1,0,0|1,0,1]=4 21031 B13R1.371 CCCCCC1CCC(CC1)O[13CH3] 34a_100000066488_200025704644 [0,1,0,1,0,0|1,0,1]=4 21032 B13R1.371 CCCCCC1CCC(CC1)O[13CH3] 7a_100000066488_200025704644 [0,1,0,1,0,0|1,0,1]=4 21033 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [0,1,0,1,0,0|1,0,0]=3 21034 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [0,1,0,1,0,0|1,0,0]=3 21035 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [0,1,0,1,0,0|1,0,0]=3 21036 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [0,1,0,1,0,0|1,0,0]=3 21037 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [0,1,0,1,0,0|1,0,0]=3 21038 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [0,1,0,1,0,0|1,0,0]=3 21039 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [0,1,0,1,0,0|1,0,0]=3 21040 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [0,1,0,1,0,0|1,0,0]=3 21041 B13R1.667 CCCCOCCOC1CCC1=O 34a_100000210238_100009892977 [0,1,0,1,0,0|2,0,0]=4 21042 B13R1.667 CCCCOCCOC1CCC1=O 7a_100000210238_100009892977 [0,1,0,1,0,0|2,0,0]=4 21043 B13R1.667 CCCCOCCSC1CCC1=O 62a_100000743108_100009892977 [0,1,0,1,0,0|2,0,0]=4 21044 B13R1.667 CCCCOCCSC1CCC1=O 62a_100009892977_100000743108 [0,1,0,1,0,0|2,0,0]=4 21045 B13R1.667 CCCCSCCOC1CCC1=O 34a_200000230436_100009892977 [0,1,0,1,0,0|2,0,0]=4 21046 B13R1.667 CCCCSCCOC1CCC1=O 7a_200000230436_100009892977 [0,1,0,1,0,0|2,0,0]=4 21047 B13R1.667 CCCOCCCNC1CCC1=O 34a_100011217757_100009892977 [0,1,0,1,0,0|2,0,0]=4 21048 B13R1.667 CCOCCNCCC1CCC1=O 2230a_102516460346_200016118888 [0,1,0,1,0,0|2,0,0]=4 21049 B13R1.667 CCOCCOCCC1CCC1=O 7a_100000210136_200016118888 [0,1,0,1,0,0|2,0,0]=4 21050 B13R1.667 CCOCCSCCC1CCC1=O 62a_100000210147_200016118888 [0,1,0,1,0,0|2,0,0]=4 21051 B13R1.667 CCOCCSCCC1CCC1=O 62a_200016118888_100011215890 [0,1,0,1,0,0|2,0,0]=4 21052 B13R1.667 CCSCCNCCC1CCC1=O 2230a_100000106463_200016118888 [0,1,0,1,0,0|2,0,0]=4 21053 B13R1.667 CCSCCOCCC1CCC1=O 7a_100000212035_200016118888 [0,1,0,1,0,0|2,0,0]=4 21054 B13R1.667 CCSCCSCCC1CCC1=O 62a_100000757381_200016118888 [0,1,0,1,0,0|2,0,0]=4 21055 B13R1.667 CCSCCSCCC1CCC1=O 62a_200016118888_100000757381 [0,1,0,1,0,0|2,0,0]=4 21056 B13R1.667 CNCCCCCOC1CCC1=O 34a_100000722520_100009892977 [0,1,0,1,0,0|2,0,0]=4 21057 B13R1.667 COCCCCCNC1CCC1=O 34a_100000747528_100009892977 [0,1,0,1,0,0|2,0,0]=4 21058 B13R1.667 COCCCSCCC1CCC1=O 62a_100000709357_200016118888 [0,1,0,1,0,0|2,0,0]=4 21059 B13R1.667 COCCCSCCC1CCC1=O 62a_200016118888_100000709357 [0,1,0,1,0,0|2,0,0]=4 21060 B13R1.667 CSCCCNCCC1CCC1=O 2230a_100000749238_200016118888 [0,1,0,1,0,0|2,0,0]=4 21061 B13R1.667 CSCCCOCCC1CCC1=O 7a_100000690336_200016118888 [0,1,0,1,0,0|2,0,0]=4 21062 B13R1.667 NCCCCCCOC1CCC1=O 34a_100000686447_100009892977 [0,1,0,1,0,0|2,0,0]=4 21063 B13R1.667 O=C1CCC1CCNCCCCO 2230a_100000750430_200016118888 [0,1,0,1,0,0|2,0,0]=4 21064 B13R1.667 O=C1CCC1CCOCCCCCl 7a_100000210776_200016118888 [0,1,0,1,0,0|2,0,0]=4 21065 B13R1.667 O=C1CCC1CCOCCCCF 7a_100011995726_200016118888 [0,1,0,1,0,0|2,0,0]=4 21066 B13R1.667 O=C1CCC1CCSCCCCF 62a_100000729493_200016118888 [0,1,0,1,0,0|2,0,0]=4 21067 B13R1.667 O=C1CCC1CCSCCCCF 62a_200016118888_100000729493 [0,1,0,1,0,0|2,0,0]=4 21068 B13R1.667 O=C1CCC1CCSCCCCO 62a_100000210776_200016118888 [0,1,0,1,0,0|2,0,0]=4 21069 B13R1.667 O=C1CCC1CCSCCCCO 62a_200016118888_100000210776 [0,1,0,1,0,0|2,0,0]=4 21070 B13R1.667 O=C1CCC1NCCCCCCO 34a_100000686447_100009892977 [0,1,0,1,0,0|2,0,0]=4 21071 B13R1.667 O=C1CCC1OCCCCCCBr 34a_100011215345_100009892977 [0,1,0,1,0,0|2,0,0]=4 21072 B13R1.667 O=C1CCC1OCCCCCCBr 7a_100011215345_100009892977 [0,1,0,1,0,0|2,0,0]=4 21073 B13R1.667 O=C1CCC1OCCCCCCCl 34a_100000766143_100009892977 [0,1,0,1,0,0|2,0,0]=4 21074 B13R1.667 O=C1CCC1OCCCCCCCl 7a_100000766143_100009892977 [0,1,0,1,0,0|2,0,0]=4 21075 B13R1.667 O=C1CCC1OCCCCCCF 34a_100000732779_100009892977 [0,1,0,1,0,0|2,0,0]=4 21076 B13R1.667 O=C1CCC1OCCCCCCF 7a_100000732779_100009892977 [0,1,0,1,0,0|2,0,0]=4 21077 B13R1.667 O=C1CCC1SCCCCCCF 62a_100009892977_100015922095 [0,1,0,1,0,0|2,0,0]=4 21078 B13R1.667 O=C1CCC1SCCCCCCF 62a_100015922095_100009892977 [0,1,0,1,0,0|2,0,0]=4 21079 B13R1.667 O=C1CCC1SCCCCCCO 62a_100000766143_100009892977 [0,1,0,1,0,0|2,0,0]=4 21080 B13R1.667 O=C1CCC1SCCCCCCO 62a_100009892977_100000766143 [0,1,0,1,0,0|2,0,0]=4 21081 B13R1.17 CCCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210211 [0,1,0,1,0,0|1,0,1]=4 21082 B13R1.43 CCCCC(=O)CC1COC(=O)O1 1458a_100000210183_100000073702 [0,1,0,1,0,0|1,0,1]=4 21083 B13R1.43 CCCCC(=O)C[C@H]1COC(=O)N1 1458a_100000210183_100015307671 [0,1,0,1,0,0|1,0,1]=4 21084 B13R1.43 CCCCC(C)NC1CNC(=O)C1 2230a_100000697751_200011215066 [0,1,0,1,0,0|2,0,0]=4 21085 B13R1.43 CCCCC(C)OC1CCC(=O)C1 34a_100012614533_200011215066 [0,1,0,1,0,0|2,0,0]=4 21086 B13R1.43 CCCCC(C)OC1CNC(=O)C1 34a_100000690082_200011215066 [0,1,0,1,0,0|2,0,0]=4 21087 B13R1.43 CCCCC(C)OC1COC(=O)O1 34a_100000687866_100000032252 [0,1,0,1,0,0|2,0,0]=4 21088 B13R1.43 CCCCC(C)SC1COC(=O)O1 62a_200011215066_100000032252 [0,1,0,1,0,0|2,0,0]=4 21089 B13R1.43 CCCCN(C)CC1COC(=O)O1 269982a_100000207549_100000073702 [0,1,0,1,0,0|2,0,0]=4 21090 B13R1.43 CCCCN(C)C[C@H]1COC(=O)N1 2230a_100000207549_100015307671 [0,1,0,1,0,0|2,0,0]=4 21091 B13R1.43 CCCCN(C)C[C@H]1COC(=O)N1 269982a_100000207549_100015307671 [0,1,0,1,0,0|2,0,0]=4 21092 B13R1.493 CCCCN1CC(C1)CC(=O)OC 269982a_100016993681_100000210211 [0,1,0,1,0,0|1,0,0]=3 21093 B13R1.493 CCCOC1CN(C1)CC(=O)OC 269982a_200020626125_100000747449 [0,1,0,1,0,0|2,0,0]=4 21094 B13R1.493 CCCOC1CN(C1)CC(=O)OC 34a_200020626125_100000747449 [0,1,0,1,0,0|2,0,0]=4 21095 B13R1.493 CCOCN1CC(C1)CC(=O)OC 269982a_100016993681_100000739092 [0,1,0,1,0,0|2,0,0]=4 21096 B13R1.493 COC(=O)CC1CN(C1)CCCF 269982a_100016993681_100011934791 [0,1,0,1,0,0|2,0,0]=4 21097 B13R1.493 COC(=O)CC1CN(C1)CCCO 269982a_100016993681_100011215043 [0,1,0,1,0,0|2,0,0]=4 21098 B13R1.493 COC(=O)CC1CN(C1)CCSC 269982a_100016993681_100000212216 [0,1,0,1,0,0|2,0,0]=4 21099 B13R1.493 COCCN1CC(C1)CC(=O)OC 269982a_100016993681_100000233755 [0,1,0,1,0,0|2,0,0]=4 21100 B13R1.528 C#CC(=O)CCC1CCCCN1C 1458a_100000211873_100000211948 [0,1,0,1,0,0|1,0,1]=4 21101 B13R1.528 C=CC(=O)CCC1CCCCN1C 1458a_100000185746_100000211948 [0,1,0,1,0,0|1,0,1]=4 21102 B13R1.528 CC1CCCCC1OCC(=O)CF 1458a_100011223357_100015361967 [0,1,0,1,0,0|2,0,0]=4 21103 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000210414_100000211948 [0,1,0,1,0,0|1,0,0]=3 21104 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210202 [0,1,0,1,0,0|1,0,0]=3 21105 B13R1.528 CCC(=O)COC1CCCCC1C 1458a_100011223357_100000210202 [0,1,0,1,0,0|1,0,0]=3 21106 B13R1.528 CCC(=O)COC1CCCCC1C 7a_100000211207_100000747405 [0,1,0,1,0,0|1,0,0]=3 21107 B13R1.528 CCC(=O)COC1CCCCC1Cl 7a_100000038908_100000747405 [0,1,0,1,0,0|2,0,0]=4 21108 B13R1.528 CCC(=O)COC1CCCCC1F 34a_100000725409_100015423560 [0,1,0,1,0,0|2,0,0]=4 21109 B13R1.528 CCC(=O)COC1CCCCC1O 34a_100000725409_100000038908 [0,1,0,1,0,0|2,0,0]=4 21110 B13R1.528 CCC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747405 [0,1,0,1,0,0|2,0,0]=4 21111 B13R1.528 CCC(=O)CSC1CCCCC1F 62a_100000747405_100015423560 [0,1,0,1,0,0|2,0,0]=4 21112 B13R1.528 CCC(=O)CSC1CCCCC1F 62a_100015423560_100000747405 [0,1,0,1,0,0|2,0,0]=4 21113 B13R1.528 CCC(=O)CSC1CCCCC1O 62a_100000038908_100000747405 [0,1,0,1,0,0|2,0,0]=4 21114 B13R1.528 CCC(=O)CSC1CCCCC1O 62a_100000747405_100000038908 [0,1,0,1,0,0|2,0,0]=4 21115 B13R1.528 CCC(=O)NCC1CCCCC1O 240690a_100011216029_100000210414 [0,1,0,1,0,0|2,0,0]=4 21116 B13R1.528 CCC(=O)NCC1CCCCC1O 527a_100011216029_100000210414 [0,1,0,1,0,0|2,0,0]=4 21117 B13R1.528 CCC(=O)NCC1CCCCN1C 240690a_100011228421_100000210414 [0,1,0,1,0,0|2,0,0]=4 21118 B13R1.528 CCC(=O)NCC1CCCCN1C 527a_100011228421_100000210414 [0,1,0,1,0,0|2,0,0]=4 21119 B13R1.528 CN1CCCCC1CCC(=O)CF 1458a_100000718493_100015361967 [0,1,0,1,0,0|2,0,0]=4 21120 B13R1.528 CN1CCCCC1CCC(=O)CO 1458a_100000210174_100000211948 [0,1,0,1,0,0|2,0,0]=4 21121 B13R1.528 CNC(=O)CCC1CCCCN1C 240690a_100102657272_100000718493 [0,1,0,1,0,0|1,0,0]=3 21122 B13R1.528 CNC(=O)CCC1CCCCN1C 527a_100102657272_100000718493 [0,1,0,1,0,0|1,0,0]=3 21123 B13R1.528 CNC(=O)CCN1CCCCC1C 2230a_100000211376_100000737683 [0,1,0,1,0,0|1,0,0]=3 21124 B13R1.528 CNC(=O)CCN1CCCCC1C 240690a_100102657272_100000727554 [0,1,0,1,0,0|1,0,0]=3 21125 B13R1.528 CNC(=O)CCN1CCCCC1C 269982a_100000211376_100000737683 [0,1,0,1,0,0|1,0,0]=3 21126 B13R1.528 CNC(=O)CCN1CCCCC1C 34a_100000211376_100012179268 [0,1,0,1,0,0|1,0,0]=3 21127 B13R1.528 CNC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100000737683 [0,1,0,1,0,0|2,0,0]=4 21128 B13R1.528 CNC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000737683 [0,1,0,1,0,0|2,0,0]=4 21129 B13R1.528 CNC(=O)CCN1CCOC[C@@H]1C 34a_100009815349_100012179268 [0,1,0,1,0,0|2,0,0]=4 21130 B13R1.528 CNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183359 [0,1,0,1,0,0|1,0,0]=3 21131 B13R1.528 CNC(=O)CNC1CCCCC1C 269862a_100000693194_100000210921 [0,1,0,1,0,0|1,0,0]=3 21132 B13R1.528 CNC(=O)CNC1CCCCC1C 270004a_100000693194_100000210921 [0,1,0,1,0,0|1,0,0]=3 21133 B13R1.528 CNC(=O)CNC1CCCCC1C 34a_100000211402_100000183359 [0,1,0,1,0,0|1,0,0]=3 21134 B13R1.528 CNC(=O)CNC1CCNCC1C 270004a_100000693194_100000703950 [0,1,0,1,0,0|2,0,0]=4 21135 B13R1.528 CNC(=O)CNC1CCOCC1C 270004a_100000693194_100000755695 [0,1,0,1,0,0|2,0,0]=4 21136 B13R1.528 CNC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000183359 [0,1,0,1,0,0|2,0,0]=4 21137 B13R1.528 CNC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000183359 [0,1,0,1,0,0|2,0,0]=4 21138 B13R1.528 CNC(=O)COC1CCCCC1C 11a_106832991635_100011223357 [0,1,0,1,0,0|1,0,0]=3 21139 B13R1.528 CNC(=O)COC1CCCCC1C 1626a_100102657272_100011223357 [0,1,0,1,0,0|1,0,0]=3 21140 B13R1.528 CNC(=O)COC1CCCCC1C 240690a_100102657272_100011223357 [0,1,0,1,0,0|1,0,0]=3 21141 B13R1.528 CNC(=O)COC1CCCCC1C 34a_100000211207_100000183359 [0,1,0,1,0,0|1,0,0]=3 21142 B13R1.528 CNC(=O)COC1CCCCC1C 527a_100102657272_100011223357 [0,1,0,1,0,0|1,0,0]=3 21143 B13R1.528 CNC(=O)COC1CCCCC1C 7a_100000211207_100000183359 [0,1,0,1,0,0|1,0,0]=3 21144 B13R1.528 CNC(=O)COC1CCCCC1Cl 34a_100000038908_100000183359 [0,1,0,1,0,0|2,0,0]=4 21145 B13R1.528 CNC(=O)COC1CCCCC1Cl 7a_100000038908_100000183359 [0,1,0,1,0,0|2,0,0]=4 21146 B13R1.528 CNC(=O)COC1CCCCC1F 34a_100000750040_100015423560 [0,1,0,1,0,0|2,0,0]=4 21147 B13R1.528 CNC(=O)COC1CCCCC1O 34a_100000750040_100000038908 [0,1,0,1,0,0|2,0,0]=4 21148 B13R1.528 CNC(=O)COC1CCNCC1C 34a_100011998114_100000183359 [0,1,0,1,0,0|2,0,0]=4 21149 B13R1.528 CNC(=O)COC1CNCCC1C 34a_100000696640_100000183359 [0,1,0,1,0,0|2,0,0]=4 21150 B13R1.528 CNC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000183359 [0,1,0,1,0,0|2,0,0]=4 21151 B13R1.528 CNC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000183359 [0,1,0,1,0,0|2,0,0]=4 21152 B13R1.528 CNC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000183359 [0,1,0,1,0,0|2,0,0]=4 21153 B13R1.528 CNC(=O)CSC1CCCCC1F 62a_100000183359_100015423560 [0,1,0,1,0,0|2,0,0]=4 21154 B13R1.528 CNC(=O)CSC1CCCCC1F 62a_100015423560_100000183359 [0,1,0,1,0,0|2,0,0]=4 21155 B13R1.528 CNC(=O)CSC1CCCCC1O 62a_100000038908_100000183359 [0,1,0,1,0,0|2,0,0]=4 21156 B13R1.528 CNC(=O)CSC1CCCCC1O 62a_100000183359_100000038908 [0,1,0,1,0,0|2,0,0]=4 21157 B13R1.528 CNC(=O)NCC1CCCCC1O 2708a_100102657272_100011216029 [0,1,0,1,0,0|2,0,0]=4 21158 B13R1.528 CNC(=O)NCC1CCCCC1O 273464a_100102657272_100011216029 [0,1,0,1,0,0|2,0,0]=4 21159 B13R1.528 CNC(=O)NCC1CCCCC1O 512a_106832991638_100011216029 [0,1,0,1,0,0|2,0,0]=4 21160 B13R1.528 CNC(=O)NCC1CCCCN1C 2708a_100011228421_106832991635 [0,1,0,1,0,0|2,0,0]=4 21161 B13R1.528 CNC(=O)NCC1CCCCN1C 2708a_100102657272_100011228421 [0,1,0,1,0,0|2,0,0]=4 21162 B13R1.528 CNC(=O)NCC1CCCCN1C 273464a_100011228421_100102657272 [0,1,0,1,0,0|2,0,0]=4 21163 B13R1.528 CNC(=O)NCC1CCCCN1C 273464a_100102657272_100011228421 [0,1,0,1,0,0|2,0,0]=4 21164 B13R1.528 CNC(=O)NCC1CCCCN1C 512a_100011228421_100102657272 [0,1,0,1,0,0|2,0,0]=4 21165 B13R1.528 CNC(=O)NCC1CCCCN1C 512a_106832991638_100011228421 [0,1,0,1,0,0|2,0,0]=4 21166 B13R1.528 COC(=O)CCN1CCCCC1C 2230a_100000211376_100000204255 [0,1,0,1,0,0|0,0,0]=2 21167 B13R1.528 COC(=O)CCN1CCCCC1C 269982a_100000211376_100000204255 [0,1,0,1,0,0|0,0,0]=2 21168 B13R1.528 COC(=O)CCN1CCCCC1C 34a_100000211376_100000742370 [0,1,0,1,0,0|0,0,0]=2 21169 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100000204255 [0,1,0,1,0,0|1,0,0]=3 21170 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000204255 [0,1,0,1,0,0|1,0,0]=3 21171 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 34a_100009815349_100000742370 [0,1,0,1,0,0|1,0,0]=3 21172 B13R1.528 COC(=O)CNC1CCCCC1C 2230a_100000211402_100000747449 [0,1,0,1,0,0|0,0,0]=2 21173 B13R1.528 COC(=O)CNC1CCCCC1C 34a_100000211402_100000747449 [0,1,0,1,0,0|0,0,0]=2 21174 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747449 [0,1,0,1,0,0|1,0,0]=3 21175 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000747449 [0,1,0,1,0,0|1,0,0]=3 21176 B13R1.528 COC(=O)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000747449 [0,1,0,1,0,0|2,0,0]=4 21177 B13R1.528 COC(=O)CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000747449 [0,1,0,1,0,0|2,0,0]=4 21178 B13R1.528 COC(=O)CN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000747449 [0,1,0,1,0,0|2,0,0]=4 21179 B13R1.528 COC(=O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000747449 [0,1,0,1,0,0|2,0,0]=4 21180 B13R1.528 COC(=O)COC1CCCCC1=O 34a_100011214950_100000747449 [0,1,0,1,0,0|1,0,1]=4 21181 B13R1.528 COC(=O)COC1CCCCC1C 34a_100000211207_100000747449 [0,1,0,1,0,0|0,0,0]=2 21182 B13R1.528 COC(=O)COC1CCCCC1C 7a_100000211207_100000747449 [0,1,0,1,0,0|0,0,0]=2 21183 B13R1.528 COC(=O)COC1CCCCC1Cl 34a_100000038908_100000747449 [0,1,0,1,0,0|1,0,0]=3 21184 B13R1.528 COC(=O)COC1CCCCC1Cl 7a_100000038908_100000747449 [0,1,0,1,0,0|1,0,0]=3 21185 B13R1.528 COC(=O)COC1CCNCC1C 34a_100011998114_100000747449 [0,1,0,1,0,0|1,0,0]=3 21186 B13R1.528 COC(=O)COC1CNCCC1C 34a_100000696640_100000747449 [0,1,0,1,0,0|1,0,0]=3 21187 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000747449 [0,1,0,1,0,0|1,0,0]=3 21188 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747449 [0,1,0,1,0,0|1,0,0]=3 21189 B13R1.528 COC(=O)CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000747449 [0,1,0,1,0,0|2,0,0]=4 21190 B13R1.528 COC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000747449 [0,1,0,1,0,0|1,0,0]=3 21191 B13R1.528 COC(=O)CO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000747449 [0,1,0,1,0,0|2,0,0]=4 21192 B13R1.528 COC(=O)CO[C@H]1COCC[C@H]1N 34a_100016994285_100000747449 [0,1,0,1,0,0|2,0,0]=4 21193 B13R1.528 COC(=O)CSC1CCCCC1=O 62a_100000204591_100000747449 [0,1,0,1,0,0|1,0,1]=4 21194 B13R1.528 COC(=O)CSC1CCCCC1=O 62a_100000747449_100000204591 [0,1,0,1,0,0|1,0,1]=4 21195 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100000747449_100015423560 [0,1,0,1,0,0|1,0,0]=3 21196 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100015423560_100000747449 [0,1,0,1,0,0|1,0,0]=3 21197 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000038908_100000747449 [0,1,0,1,0,0|1,0,0]=3 21198 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000747449_100000038908 [0,1,0,1,0,0|1,0,0]=3 21199 B13R1.528 CO[C@H](C)CNC1CCCCC1C 269862a_100020591295_100000210921 [0,1,0,1,0,0|1,0,1]=4 21200 B13R1.528 CO[C@H](C)CNC1CCCCC1C 270004a_100020591295_100000210921 [0,1,0,1,0,0|1,0,1]=4 21201 B13R1.677 CCCCC(=O)CCC1CCC1=O 1458a_100000210183_200016118888 [0,1,0,1,0,0|1,0,1]=4 21202 B13R1.677 CCCCC(C)COC1CCC1=O 34a_100011995851_100009892977 [0,1,0,1,0,0|2,0,0]=4 21203 B13R1.677 CCCCC(C)COC1CCC1=O 7a_100011995851_100009892977 [0,1,0,1,0,0|2,0,0]=4 21204 B13R1.677 CCCCN(C)CCC1CCC1=O 2230a_100000207549_200016118888 [0,1,0,1,0,0|2,0,0]=4 21205 B13R1.677 CCCCN(C)CCC1CCC1=O 269982a_100000207549_200016118888 [0,1,0,1,0,0|2,0,0]=4 21206 B13R1.677 CCCC[C@H](N)COC1CCC1=O 34a_100011934283_100009892977 [0,1,0,1,0,0|2,0,0]=4 21207 B13R1.717 CCC(C)CNCC1CNC(=O)C1 2230a_100016993742_100000748023 [0,1,0,1,0,0|2,0,0]=4 21208 B13R1.717 CCC(C)CNCC1CNC(=O)C1 34a_100016993742_100000748023 [0,1,0,1,0,0|2,0,0]=4 21209 B13R1.717 CCC(C)CNC[C@H]1COC(=O)N1 2230a_100020588543_100015307671 [0,1,0,1,0,0|2,0,0]=4 21210 B13R1.717 CCC(C)COCC1CNC(=O)C1 34a_100016041077_100000748023 [0,1,0,1,0,0|2,0,0]=4 21211 B13R1.717 CCC(C)CSCC1COC(=O)O1 62a_100000073702_100000748023 [0,1,0,1,0,0|2,0,0]=4 21212 B13R1.717 CCC(C)CSCC1COC(=O)O1 62a_100000748023_100000073702 [0,1,0,1,0,0|2,0,0]=4 21213 B13R1.717 CCC(C)CSC[C@H]1COC(=O)N1 62a_100000748023_100015307671 [0,1,0,1,0,0|2,0,0]=4 21214 B13R1.717 CCC(C)CSC[C@H]1COC(=O)N1 62a_100015307671_100000748023 [0,1,0,1,0,0|2,0,0]=4 21215 B13R1.717 CCC(O)CNCC1CNC(=O)C1 2230a_100016993742_100011218378 [0,1,0,1,0,0|2,0,0]=4 21216 B13R1.717 CCC(O)CNCC1CNC(=O)C1 34a_100016993742_100011218378 [0,1,0,1,0,0|2,0,0]=4 21217 B13R1.717 CCC(O)CNC[C@H]1COC(=O)N1 2230a_100011218483_100015307671 [0,1,0,1,0,0|2,0,0]=4 21218 B13R1.717 CCC(O)COCC1CNC(=O)C1 34a_100016041077_100011218378 [0,1,0,1,0,0|2,0,0]=4 21219 B13R1.717 CCC(O)CSCC1COC(=O)O1 62a_100000073702_100011218378 [0,1,0,1,0,0|2,0,0]=4 21220 B13R1.717 CCC(O)CSCC1COC(=O)O1 62a_100011218378_100000073702 [0,1,0,1,0,0|2,0,0]=4 21221 B13R1.717 CCC(O)CSC[C@H]1COC(=O)N1 62a_100011218378_100015307671 [0,1,0,1,0,0|2,0,0]=4 21222 B13R1.717 CCC(O)CSC[C@H]1COC(=O)N1 62a_100015307671_100011218378 [0,1,0,1,0,0|2,0,0]=4 21223 B13R1.717 CC[C@H](C)CNCC1CNC(=O)C1 2230a_100016993742_100009816398 [0,1,0,1,0,0|2,0,0]=4 21224 B13R1.717 CC[C@H](C)CNCC1CNC(=O)C1 34a_100016993742_100009816398 [0,1,0,1,0,0|2,0,0]=4 21225 B13R1.717 CC[C@H](C)COCC1CNC(=O)C1 34a_100016041077_100009816398 [0,1,0,1,0,0|2,0,0]=4 21226 B13R1.717 CC[C@H](C)COC[C@H]1COC(=O)N1 7a_100009816381_100015307671 [0,1,0,1,0,0|2,0,0]=4 21227 B13R1.717 CC[C@H](C)CSCC1COC(=O)O1 62a_100000073702_100009816398 [0,1,0,1,0,0|2,0,0]=4 21228 B13R1.717 CC[C@H](C)CSCC1COC(=O)O1 62a_100009816398_100000073702 [0,1,0,1,0,0|2,0,0]=4 21229 B13R1.717 CC[C@H](C)CSC[C@H]1COC(=O)N1 62a_100009816398_100015307671 [0,1,0,1,0,0|2,0,0]=4 21230 B13R1.717 CC[C@H](C)CSC[C@H]1COC(=O)N1 62a_100015307671_100009816398 [0,1,0,1,0,0|2,0,0]=4 21231 B13R1.717 CNC(=O)CCCN1CCC(C1)O 2230a_100011215560_100000741757 [0,1,0,1,0,0|2,0,0]=4 21232 B13R1.717 CNC(=O)CCCN1CCC(C1)O 269982a_100011215560_100000741757 [0,1,0,1,0,0|2,0,0]=4 21233 B13R1.717 CNC(=O)CCCN1CC[C@@H](C1)F 2230a_100015203821_100000741757 [0,1,0,1,0,0|2,0,0]=4 21234 B13R1.717 CNC(=O)CCCN1CC[C@@H](C1)F 269982a_100015203821_100000741757 [0,1,0,1,0,0|2,0,0]=4 21235 B13R1.717 CNC(=O)CCCN1CC[C@@H](C1)F 34a_100015203821_100000741757 [0,1,0,1,0,0|2,0,0]=4 21236 B13R1.717 CNC(=O)CCCN1CC[C@H](C1)C 2230a_100016987628_100000741757 [0,1,0,1,0,0|2,0,0]=4 21237 B13R1.717 CNC(=O)CCCN1CC[C@H](C1)C 269982a_100016987628_100000741757 [0,1,0,1,0,0|2,0,0]=4 21238 B13R1.717 CNC(=O)CCCN1CC[C@H](C1)C 34a_100016987628_100000741757 [0,1,0,1,0,0|2,0,0]=4 21239 B13R1.717 CNC(=O)CCNC1CCC(C1)C 270004a_100000738227_100011215218 [0,1,0,1,0,0|2,0,0]=4 21240 B13R1.717 CNC(=O)CCNC1CCC(C1)O 270004a_100000738227_100012614533 [0,1,0,1,0,0|2,0,0]=4 21241 B13R1.717 CNC(=O)CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000737683 [0,1,0,1,0,0|2,0,0]=4 21242 B13R1.717 CNC(=O)CCOC1CCC(C1)C 34a_100000698185_100012179268 [0,1,0,1,0,0|2,0,0]=4 21243 B13R1.717 COC(=O)CCCN1CCC(C1)O 2230a_100011215560_100011218270 [0,1,0,1,0,0|1,0,0]=3 21244 B13R1.717 COC(=O)CCCN1CCC(C1)O 269982a_100011215560_100011218270 [0,1,0,1,0,0|1,0,0]=3 21245 B13R1.717 COC(=O)CCCN1CC[C@@H](C1)F 2230a_100015203821_100011218270 [0,1,0,1,0,0|1,0,0]=3 21246 B13R1.717 COC(=O)CCCN1CC[C@@H](C1)F 269982a_100015203821_100011218270 [0,1,0,1,0,0|1,0,0]=3 21247 B13R1.717 COC(=O)CCCN1CC[C@@H](C1)F 34a_100015203821_100000742333 [0,1,0,1,0,0|1,0,0]=3 21248 B13R1.717 COC(=O)CCCN1CC[C@H](C1)C 2230a_100016987628_100011218270 [0,1,0,1,0,0|1,0,0]=3 21249 B13R1.717 COC(=O)CCCN1CC[C@H](C1)C 269982a_100016987628_100011218270 [0,1,0,1,0,0|1,0,0]=3 21250 B13R1.717 COC(=O)CCCN1CC[C@H](C1)C 34a_100016987628_100000742333 [0,1,0,1,0,0|1,0,0]=3 21251 B13R1.717 COC(=O)CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000204255 [0,1,0,1,0,0|1,0,0]=3 21252 B13R1.717 COC(=O)CCOC1CCC(=O)C1 34a_100012614533_100000742370 [0,1,0,1,0,0|1,0,1]=4 21253 B13R1.717 COC(=O)CCOC1CCC(C1)C 34a_100000698185_100000742370 [0,1,0,1,0,0|1,0,0]=3 21254 B13R1.717 COC(=O)CCSC1CCN(C1)C 62a_100000204255_200012183744 [0,1,0,1,0,0|2,0,0]=4 21255 B13R1.717 COC(=O)COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000747449 [0,1,0,1,0,0|2,0,0]=4 21256 B13R1.717 COC(=O)CSCC1CCN(C1)C 62a_100000747449_200000690779 [0,1,0,1,0,0|2,0,0]=4 21257 B13R1.717 COC(=O)CSCC1CCN(C1)C 62a_200000690779_100000747449 [0,1,0,1,0,0|2,0,0]=4 21258 B13R1.718 C#CC(=O)CCCC1CCCCC1 1458a_100000211873_100011713725 [0,1,0,1,0,0|1,0,1]=4 21259 B13R1.718 C#CC(=O)CCCN1CCCCC1 1458a_100000211873_100000690320 [0,1,0,1,0,0|1,0,1]=4 21260 B13R1.718 C#CC(=O)CCOC1CCCCC1 1458a_100000211873_100011211530 [0,1,0,1,0,0|1,0,1]=4 21261 B13R1.718 C=CC(=O)CCCC1CCCCC1 1458a_100000185746_100011713725 [0,1,0,1,0,0|1,0,1]=4 21262 B13R1.718 C=CC(=O)CCCN1CCCCC1 1458a_100000185746_100000690320 [0,1,0,1,0,0|1,0,1]=4 21263 B13R1.718 C=CC(=O)CCOC1CCCCC1 1458a_100000185746_100011211530 [0,1,0,1,0,0|1,0,1]=4 21264 B13R1.718 C=CC(=O)NCCC1CCCCC1 1626a_100000738074_100000185746 [0,1,0,1,0,0|1,0,1]=4 21265 B13R1.718 C=CC(=O)NCCC1CCCCC1 240690a_100000738074_200121576911 [0,1,0,1,0,0|1,0,1]=4 21266 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [0,1,0,1,0,0|1,0,0]=3 21267 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [0,1,0,1,0,0|1,0,0]=3 21268 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000210414_100000690320 [0,1,0,1,0,0|1,0,0]=3 21269 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210202 [0,1,0,1,0,0|1,0,0]=3 21270 B13R1.718 CCC(=O)CCCN1CCOCC1 1458a_100000210414_100000748698 [0,1,0,1,0,0|2,0,0]=4 21271 B13R1.718 CCC(=O)CCOC1CCCCC1 1458a_100000210414_100011211530 [0,1,0,1,0,0|1,0,0]=3 21272 B13R1.718 CCC(=O)CCOC1CCCCO1 1458a_100000210414_100000744793 [0,1,0,1,0,0|2,0,0]=4 21273 B13R1.718 CCC(=O)COCC1CCCCC1 34a_100000725409_100000211423 [0,1,0,1,0,0|1,0,0]=3 21274 B13R1.718 CCC(=O)COCC1CCCCC1 7a_100000212181_100000747405 [0,1,0,1,0,0|1,0,0]=3 21275 B13R1.718 CCC(=O)COCC1CCCCO1 1458a_100011223378_100000210202 [0,1,0,1,0,0|2,0,0]=4 21276 B13R1.718 CCC(=O)COCC1CCCCO1 34a_100000725409_100000211543 [0,1,0,1,0,0|2,0,0]=4 21277 B13R1.718 CCC(=O)COCC1CCCCO1 7a_100000211370_100000747405 [0,1,0,1,0,0|2,0,0]=4 21278 B13R1.718 CCC(=O)COCC1CCCOC1 34a_100000725409_100000741521 [0,1,0,1,0,0|2,0,0]=4 21279 B13R1.718 CCC(=O)COCC1CCOCC1 34a_100000725409_100000754603 [0,1,0,1,0,0|2,0,0]=4 21280 B13R1.718 CCC(=O)COCC1CCSCC1 7a_100000070558_100000747405 [0,1,0,1,0,0|2,0,0]=4 21281 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000211423_100000747405 [0,1,0,1,0,0|1,0,0]=3 21282 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000747405_100000211423 [0,1,0,1,0,0|1,0,0]=3 21283 B13R1.718 CCC(=O)CSCC1CCCCO1 62a_100000211543_100000747405 [0,1,0,1,0,0|2,0,0]=4 21284 B13R1.718 CCC(=O)CSCC1CCCCO1 62a_100000747405_100000211543 [0,1,0,1,0,0|2,0,0]=4 21285 B13R1.718 CCC(=O)CSCC1CCCOC1 62a_100000741521_100000747405 [0,1,0,1,0,0|2,0,0]=4 21286 B13R1.718 CCC(=O)CSCC1CCCOC1 62a_100000747405_100000741521 [0,1,0,1,0,0|2,0,0]=4 21287 B13R1.718 CCC(=O)CSCC1CCOCC1 62a_100000747405_100000749018 [0,1,0,1,0,0|2,0,0]=4 21288 B13R1.718 CCC(=O)CSCC1CCOCC1 62a_100000754603_100000747405 [0,1,0,1,0,0|2,0,0]=4 21289 B13R1.718 CCC(=O)NCCC1CCCCC1 11a_100000738074_100000210414 [0,1,0,1,0,0|1,0,0]=3 21290 B13R1.718 CCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210414 [0,1,0,1,0,0|1,0,0]=3 21291 B13R1.718 CCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210414 [0,1,0,1,0,0|1,0,0]=3 21292 B13R1.718 CCC(=O)NCCC1CCCCC1 527a_100000738074_100000210414 [0,1,0,1,0,0|1,0,0]=3 21293 B13R1.718 CCC(=O)NCCC1CCCCO1 11a_100015183643_100000210414 [0,1,0,1,0,0|2,0,0]=4 21294 B13R1.718 CCC(=O)NCCC1CCCCO1 1626a_100015183643_100000210414 [0,1,0,1,0,0|2,0,0]=4 21295 B13R1.718 CCC(=O)NCCC1CCCCO1 240690a_100015183643_100000210414 [0,1,0,1,0,0|2,0,0]=4 21296 B13R1.718 CCC(=O)NCCC1CCCCO1 527a_100015183643_100000210414 [0,1,0,1,0,0|2,0,0]=4 21297 B13R1.718 CCC(=O)NCCC1CCOCC1 11a_100000755988_100000210414 [0,1,0,1,0,0|2,0,0]=4 21298 B13R1.718 CCC(=O)NCCC1CCOCC1 1626a_100000755988_100000210414 [0,1,0,1,0,0|2,0,0]=4 21299 B13R1.718 CCC(=O)NCCC1CCOCC1 240690a_100000755988_100000210414 [0,1,0,1,0,0|2,0,0]=4 21300 B13R1.718 CCC(=O)NCCC1CCOCC1 527a_100000755988_100000210414 [0,1,0,1,0,0|2,0,0]=4 21301 B13R1.718 CCC(=O)NCCN1CCCCC1 240690a_100000216509_100000210414 [0,1,0,1,0,0|2,0,0]=4 21302 B13R1.718 CCC(=O)NCCN1CCCCC1 527a_100000216509_100000210414 [0,1,0,1,0,0|2,0,0]=4 21303 B13R1.718 CCC(=O)NNCC1CCCCC1 22a_100000740227_100000210414 [0,1,0,1,0,0|2,0,0]=4 21304 B13R1.718 CNC(=O)CCCC1CCCCC1 11a_106832991635_100000211478 [0,1,0,1,0,0|1,0,0]=3 21305 B13R1.718 CNC(=O)CCCC1CCCCC1 1626a_100102657272_100000211478 [0,1,0,1,0,0|1,0,0]=3 21306 B13R1.718 CNC(=O)CCCC1CCCCC1 240690a_100102657272_100000211478 [0,1,0,1,0,0|1,0,0]=3 21307 B13R1.718 CNC(=O)CCCC1CCCCC1 527a_100102657272_100000211478 [0,1,0,1,0,0|1,0,0]=3 21308 B13R1.718 CNC(=O)CCCN1CCCCC1 240690a_100102657272_100000742516 [0,1,0,1,0,0|1,0,0]=3 21309 B13R1.718 CNC(=O)CCCN1CCCOC1 2230a_100000131196_100000741757 [0,1,0,1,0,0|2,0,0]=4 21310 B13R1.718 CNC(=O)CCCN1CCCOC1 269982a_100000131196_100000741757 [0,1,0,1,0,0|2,0,0]=4 21311 B13R1.718 CNC(=O)CCCN1CCCOC1 34a_100000131196_100000741757 [0,1,0,1,0,0|2,0,0]=4 21312 B13R1.718 CNC(=O)CCCN1CCOCC1 2230a_100015191051_100000741757 [0,1,0,1,0,0|2,0,0]=4 21313 B13R1.718 CNC(=O)CCCN1CCOCC1 269982a_100015191051_100000741757 [0,1,0,1,0,0|2,0,0]=4 21314 B13R1.718 CNC(=O)CCCN1CCOCC1 34a_100015191051_100000741757 [0,1,0,1,0,0|2,0,0]=4 21315 B13R1.718 CNC(=O)CCCN1CCSCC1 2230a_100000737611_100000741757 [0,1,0,1,0,0|2,0,0]=4 21316 B13R1.718 CNC(=O)CCCN1CCSCC1 269982a_100000737611_100000741757 [0,1,0,1,0,0|2,0,0]=4 21317 B13R1.718 CNC(=O)CCNC1CCCCC1 2230a_100000182618_100000737683 [0,1,0,1,0,0|1,0,0]=3 21318 B13R1.718 CNC(=O)CCNC1CCCCC1 270004a_100000738227_100000210434 [0,1,0,1,0,0|1,0,0]=3 21319 B13R1.718 CNC(=O)CCNC1CCCCC1 34a_100000182618_100012179268 [0,1,0,1,0,0|1,0,0]=3 21320 B13R1.718 CNC(=O)CCNC1CCCCC1 34a_100000738227_100000210327 [0,1,0,1,0,0|1,0,0]=3 21321 B13R1.718 CNC(=O)CCNC1CCCOC1 2230a_100000719290_100000737683 [0,1,0,1,0,0|2,0,0]=4 21322 B13R1.718 CNC(=O)CCNC1CCCOC1 270004a_100000738227_100000753404 [0,1,0,1,0,0|2,0,0]=4 21323 B13R1.718 CNC(=O)CCNC1CCCOC1 34a_100000719290_100012179268 [0,1,0,1,0,0|2,0,0]=4 21324 B13R1.718 CNC(=O)CCNC1CCCOC1 34a_100000738227_100000693364 [0,1,0,1,0,0|2,0,0]=4 21325 B13R1.718 CNC(=O)CCNC1CCCSC1 270004a_100000738227_100000057913 [0,1,0,1,0,0|2,0,0]=4 21326 B13R1.718 CNC(=O)CCNC1CCNCC1 270004a_100000738227_100015192401 [0,1,0,1,0,0|2,0,0]=4 21327 B13R1.718 CNC(=O)CCNC1CCOCC1 2230a_100000741149_100000737683 [0,1,0,1,0,0|2,0,0]=4 21328 B13R1.718 CNC(=O)CCNC1CCOCC1 270004a_100000738227_100011217826 [0,1,0,1,0,0|2,0,0]=4 21329 B13R1.718 CNC(=O)CCNC1CCOCC1 34a_100000741149_100012179268 [0,1,0,1,0,0|2,0,0]=4 21330 B13R1.718 CNC(=O)CCNC1CCSCC1 2230a_100000748639_100000737683 [0,1,0,1,0,0|2,0,0]=4 21331 B13R1.718 CNC(=O)CCNC1CCSCC1 270004a_100000738227_100000203788 [0,1,0,1,0,0|2,0,0]=4 21332 B13R1.718 CNC(=O)CCNC1CCSCC1 34a_100000738227_100000069128 [0,1,0,1,0,0|2,0,0]=4 21333 B13R1.718 CNC(=O)CCNC1CCSCC1 34a_100000748639_100012179268 [0,1,0,1,0,0|2,0,0]=4 21334 B13R1.718 CNC(=O)CCOC1CCCCC1 34a_100000210231_100012179268 [0,1,0,1,0,0|1,0,0]=3 21335 B13R1.718 CNC(=O)CCOC1CCCCC1 34a_100000754576_100000210327 [0,1,0,1,0,0|1,0,0]=3 21336 B13R1.718 CNC(=O)CCOC1CCCCC1 7a_100000210231_100000737683 [0,1,0,1,0,0|1,0,0]=3 21337 B13R1.718 CNC(=O)CCOC1CCCCO1 34a_100000033831_100012179268 [0,1,0,1,0,0|2,0,0]=4 21338 B13R1.718 CNC(=O)CCOC1CCCOC1 34a_100000754041_100012179268 [0,1,0,1,0,0|2,0,0]=4 21339 B13R1.718 CNC(=O)CCOC1CCCOC1 34a_100000754576_100000693364 [0,1,0,1,0,0|2,0,0]=4 21340 B13R1.718 CNC(=O)CCOC1CCCSC1 7a_100015962668_100000737683 [0,1,0,1,0,0|2,0,0]=4 21341 B13R1.718 CNC(=O)CCOC1CCOCC1 34a_100000744328_100012179268 [0,1,0,1,0,0|2,0,0]=4 21342 B13R1.718 CNC(=O)CCOC1CCSCC1 34a_100000731022_100012179268 [0,1,0,1,0,0|2,0,0]=4 21343 B13R1.718 CNC(=O)CCOC1CCSCC1 34a_100000754576_100000069128 [0,1,0,1,0,0|2,0,0]=4 21344 B13R1.718 CNC(=O)CCOC1CCSCC1 7a_100000731022_100000737683 [0,1,0,1,0,0|2,0,0]=4 21345 B13R1.718 CNC(=O)CCSC1CCCCC1 62a_100000210327_100000737683 [0,1,0,1,0,0|1,0,0]=3 21346 B13R1.718 CNC(=O)CCSC1CCCCC1 62a_100000737683_100000210327 [0,1,0,1,0,0|1,0,0]=3 21347 B13R1.718 CNC(=O)CCSC1CCCOC1 62a_100000737683_100000693364 [0,1,0,1,0,0|2,0,0]=4 21348 B13R1.718 CNC(=O)CCSC1CCOCC1 62a_100000737683_100011324220 [0,1,0,1,0,0|2,0,0]=4 21349 B13R1.718 CNC(=O)CCSC1CCSCC1 62a_100000737683_100000069128 [0,1,0,1,0,0|2,0,0]=4 21350 B13R1.718 CNC(=O)CNCC1CCCCC1 2230a_100000210473_100000183359 [0,1,0,1,0,0|1,0,0]=3 21351 B13R1.718 CNC(=O)CNCC1CCCCC1 2230a_100000693194_100000211423 [0,1,0,1,0,0|1,0,0]=3 21352 B13R1.718 CNC(=O)CNCC1CCCCC1 269862a_100000693194_100000211278 [0,1,0,1,0,0|1,0,0]=3 21353 B13R1.718 CNC(=O)CNCC1CCCCC1 34a_100000210473_100000183359 [0,1,0,1,0,0|1,0,0]=3 21354 B13R1.718 CNC(=O)CNCC1CCCCO1 2230a_100000174945_100000183359 [0,1,0,1,0,0|2,0,0]=4 21355 B13R1.718 CNC(=O)CNCC1CCCCO1 2230a_100000693194_100000211543 [0,1,0,1,0,0|2,0,0]=4 21356 B13R1.718 CNC(=O)CNCC1CCCCO1 34a_100000174945_100000183359 [0,1,0,1,0,0|2,0,0]=4 21357 B13R1.718 CNC(=O)CNCC1CCCOC1 2230a_100000693194_100000741521 [0,1,0,1,0,0|2,0,0]=4 21358 B13R1.718 CNC(=O)CNCC1CCCOC1 2230a_100000720124_100000183359 [0,1,0,1,0,0|2,0,0]=4 21359 B13R1.718 CNC(=O)CNCC1CCCOC1 34a_100000720124_100000183359 [0,1,0,1,0,0|2,0,0]=4 21360 B13R1.718 CNC(=O)CNCC1CCOCC1 2230a_100000693194_100000754603 [0,1,0,1,0,0|2,0,0]=4 21361 B13R1.718 CNC(=O)CNCC1CCOCC1 2230a_100000746373_100000183359 [0,1,0,1,0,0|2,0,0]=4 21362 B13R1.718 CNC(=O)CNCC1CCOCC1 269862a_100000693194_100000749017 [0,1,0,1,0,0|2,0,0]=4 21363 B13R1.718 CNC(=O)CNCC1CCOCC1 34a_100000746373_100000183359 [0,1,0,1,0,0|2,0,0]=4 21364 B13R1.718 CNC(=O)CNCC1CCSCC1 2230a_100015188806_100000183359 [0,1,0,1,0,0|2,0,0]=4 21365 B13R1.718 CNC(=O)CNCC1CCSCC1 269862a_100000693194_100000067145 [0,1,0,1,0,0|2,0,0]=4 21366 B13R1.718 CNC(=O)CNCC1CCSCC1 270004a_100000693194_100000067145 [0,1,0,1,0,0|2,0,0]=4 21367 B13R1.718 CNC(=O)CNCC1CCSCC1 34a_100015188806_100000183359 [0,1,0,1,0,0|2,0,0]=4 21368 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000212181_100000183359 [0,1,0,1,0,0|1,0,0]=3 21369 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000750040_100000211423 [0,1,0,1,0,0|1,0,0]=3 21370 B13R1.718 CNC(=O)COCC1CCCCC1 7a_100000212181_100000183359 [0,1,0,1,0,0|1,0,0]=3 21371 B13R1.718 CNC(=O)COCC1CCCCN1 34a_100000210821_100000183359 [0,1,0,1,0,0|2,0,0]=4 21372 B13R1.718 CNC(=O)COCC1CCCCO1 11a_106832991635_100011223378 [0,1,0,1,0,0|2,0,0]=4 21373 B13R1.718 CNC(=O)COCC1CCCCO1 1626a_100102657272_100011223378 [0,1,0,1,0,0|2,0,0]=4 21374 B13R1.718 CNC(=O)COCC1CCCCO1 240690a_100102657272_100011223378 [0,1,0,1,0,0|2,0,0]=4 21375 B13R1.718 CNC(=O)COCC1CCCCO1 34a_100000211370_100000183359 [0,1,0,1,0,0|2,0,0]=4 21376 B13R1.718 CNC(=O)COCC1CCCCO1 34a_100000750040_100000211543 [0,1,0,1,0,0|2,0,0]=4 21377 B13R1.718 CNC(=O)COCC1CCCCO1 527a_100102657272_100011223378 [0,1,0,1,0,0|2,0,0]=4 21378 B13R1.718 CNC(=O)COCC1CCCCO1 7a_100000211370_100000183359 [0,1,0,1,0,0|2,0,0]=4 21379 B13R1.718 CNC(=O)COCC1CCCNC1 34a_100000211344_100000183359 [0,1,0,1,0,0|2,0,0]=4 21380 B13R1.718 CNC(=O)COCC1CCCOC1 34a_100000741520_100000183359 [0,1,0,1,0,0|2,0,0]=4 21381 B13R1.718 CNC(=O)COCC1CCCOC1 34a_100000750040_100000741521 [0,1,0,1,0,0|2,0,0]=4 21382 B13R1.718 CNC(=O)COCC1CCNCC1 34a_100000738675_100000183359 [0,1,0,1,0,0|2,0,0]=4 21383 B13R1.718 CNC(=O)COCC1CCOCC1 34a_100000749013_100000183359 [0,1,0,1,0,0|2,0,0]=4 21384 B13R1.718 CNC(=O)COCC1CCOCC1 34a_100000750040_100000754603 [0,1,0,1,0,0|2,0,0]=4 21385 B13R1.718 CNC(=O)COCC1CCSCC1 34a_100000070558_100000183359 [0,1,0,1,0,0|2,0,0]=4 21386 B13R1.718 CNC(=O)COCC1CCSCC1 7a_100000070558_100000183359 [0,1,0,1,0,0|2,0,0]=4 21387 B13R1.718 CNC(=O)CSCC1CCCCC1 62a_100000183359_100000211423 [0,1,0,1,0,0|1,0,0]=3 21388 B13R1.718 CNC(=O)CSCC1CCCCC1 62a_100000211423_100000183359 [0,1,0,1,0,0|1,0,0]=3 21389 B13R1.718 CNC(=O)CSCC1CCCCO1 62a_100000183359_100000211543 [0,1,0,1,0,0|2,0,0]=4 21390 B13R1.718 CNC(=O)CSCC1CCCCO1 62a_100000211543_100000183359 [0,1,0,1,0,0|2,0,0]=4 21391 B13R1.718 CNC(=O)CSCC1CCCOC1 62a_100000183359_100000741521 [0,1,0,1,0,0|2,0,0]=4 21392 B13R1.718 CNC(=O)CSCC1CCCOC1 62a_100000741521_100000183359 [0,1,0,1,0,0|2,0,0]=4 21393 B13R1.718 CNC(=O)CSCC1CCOCC1 62a_100000183359_100000749018 [0,1,0,1,0,0|2,0,0]=4 21394 B13R1.718 CNC(=O)CSCC1CCOCC1 62a_100000754603_100000183359 [0,1,0,1,0,0|2,0,0]=4 21395 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100000738074_106832991635 [0,1,0,1,0,0|1,0,0]=3 21396 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100102657272_100000738074 [0,1,0,1,0,0|1,0,0]=3 21397 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100000738074_100102657272 [0,1,0,1,0,0|1,0,0]=3 21398 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100102657272_100000738074 [0,1,0,1,0,0|1,0,0]=3 21399 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_100000738074_100102657272 [0,1,0,1,0,0|1,0,0]=3 21400 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_106832991638_100000738074 [0,1,0,1,0,0|1,0,0]=3 21401 B13R1.718 CNC(=O)NCCC1CCCCO1 2708a_100015183643_106832991635 [0,1,0,1,0,0|2,0,0]=4 21402 B13R1.718 CNC(=O)NCCC1CCCCO1 2708a_100102657272_100015183643 [0,1,0,1,0,0|2,0,0]=4 21403 B13R1.718 CNC(=O)NCCC1CCCCO1 273464a_100015183643_100102657272 [0,1,0,1,0,0|2,0,0]=4 21404 B13R1.718 CNC(=O)NCCC1CCCCO1 273464a_100102657272_100015183643 [0,1,0,1,0,0|2,0,0]=4 21405 B13R1.718 CNC(=O)NCCC1CCCCO1 512a_100015183643_100102657272 [0,1,0,1,0,0|2,0,0]=4 21406 B13R1.718 CNC(=O)NCCC1CCCCO1 512a_106832991638_100015183643 [0,1,0,1,0,0|2,0,0]=4 21407 B13R1.718 CNC(=O)NCCC1CCOCC1 2708a_100000755988_106832991635 [0,1,0,1,0,0|2,0,0]=4 21408 B13R1.718 CNC(=O)NCCC1CCOCC1 2708a_100102657272_100000755988 [0,1,0,1,0,0|2,0,0]=4 21409 B13R1.718 CNC(=O)NCCC1CCOCC1 273464a_100000755988_100102657272 [0,1,0,1,0,0|2,0,0]=4 21410 B13R1.718 CNC(=O)NCCC1CCOCC1 273464a_100102657272_100000755988 [0,1,0,1,0,0|2,0,0]=4 21411 B13R1.718 CNC(=O)NCCC1CCOCC1 512a_100000755988_100102657272 [0,1,0,1,0,0|2,0,0]=4 21412 B13R1.718 CNC(=O)NCCC1CCOCC1 512a_106832991638_100000755988 [0,1,0,1,0,0|2,0,0]=4 21413 B13R1.718 CNC(=O)NCCN1CCCCC1 2708a_100102657272_100000216509 [0,1,0,1,0,0|2,0,0]=4 21414 B13R1.718 CNC(=O)NCCN1CCCCC1 273464a_100000216509_100102657272 [0,1,0,1,0,0|2,0,0]=4 21415 B13R1.718 CNC(=O)NCCN1CCCCC1 273464a_100102657272_100000216509 [0,1,0,1,0,0|2,0,0]=4 21416 B13R1.718 CNC(=O)NNCC1CCCCC1 273464a_100102657272_100000740227 [0,1,0,1,0,0|2,0,0]=4 21417 B13R1.718 CNC(=O)NNCC1CCCCC1 512a_106832991638_100000740227 [0,1,0,1,0,0|2,0,0]=4 21418 B13R1.718 COC(=O)C=NNC1CCCCC1 4a_100000709804_200011823558 [0,1,0,1,0,0|1,0,1]=4 21419 B13R1.718 COC(=O)CCCN1CC=CCC1 2230a_100000698166_100011218270 [0,1,0,1,0,0|0,0,2]=4 21420 B13R1.718 COC(=O)CCCN1CC=CCC1 269982a_100000698166_100011218270 [0,1,0,1,0,0|0,0,2]=4 21421 B13R1.718 COC(=O)CCCN1CC=CCC1 34a_100000698166_100000742333 [0,1,0,1,0,0|0,0,2]=4 21422 B13R1.718 COC(=O)CCCN1CCCOC1 2230a_100000131196_100011218270 [0,1,0,1,0,0|1,0,0]=3 21423 B13R1.718 COC(=O)CCCN1CCCOC1 269982a_100000131196_100011218270 [0,1,0,1,0,0|1,0,0]=3 21424 B13R1.718 COC(=O)CCCN1CCCOC1 34a_100000131196_100000742333 [0,1,0,1,0,0|1,0,0]=3 21425 B13R1.718 COC(=O)CCCN1CCOCC1 2230a_100015191051_100011218270 [0,1,0,1,0,0|1,0,0]=3 21426 B13R1.718 COC(=O)CCCN1CCOCC1 269982a_100015191051_100011218270 [0,1,0,1,0,0|1,0,0]=3 21427 B13R1.718 COC(=O)CCCN1CCOCC1 34a_100015191051_100000742333 [0,1,0,1,0,0|1,0,0]=3 21428 B13R1.718 COC(=O)CCCN1CCSCC1 2230a_100000737611_100011218270 [0,1,0,1,0,0|1,0,0]=3 21429 B13R1.718 COC(=O)CCCN1CCSCC1 269982a_100000737611_100011218270 [0,1,0,1,0,0|1,0,0]=3 21430 B13R1.718 COC(=O)CCNC1CCCCC1 2230a_100000182618_100000204255 [0,1,0,1,0,0|0,0,0]=2 21431 B13R1.718 COC(=O)CCNC1CCCCC1 34a_100000182618_100000742370 [0,1,0,1,0,0|0,0,0]=2 21432 B13R1.718 COC(=O)CCNC1CCCOC1 2230a_100000719290_100000204255 [0,1,0,1,0,0|1,0,0]=3 21433 B13R1.718 COC(=O)CCNC1CCCOC1 34a_100000719290_100000742370 [0,1,0,1,0,0|1,0,0]=3 21434 B13R1.718 COC(=O)CCNC1CCOCC1 2230a_100000741149_100000204255 [0,1,0,1,0,0|1,0,0]=3 21435 B13R1.718 COC(=O)CCNC1CCOCC1 34a_100000741149_100000742370 [0,1,0,1,0,0|1,0,0]=3 21436 B13R1.718 COC(=O)CCNC1CCSCC1 2230a_100000748639_100000204255 [0,1,0,1,0,0|1,0,0]=3 21437 B13R1.718 COC(=O)CCNC1CCSCC1 34a_100000748639_100000742370 [0,1,0,1,0,0|1,0,0]=3 21438 B13R1.718 COC(=O)CCOC1C=CCCC1 34a_100011215024_100000742370 [0,1,0,1,0,0|0,0,2]=4 21439 B13R1.718 COC(=O)CCOC1CC=CCC1 34a_100000073881_100000742370 [0,1,0,1,0,0|0,0,2]=4 21440 B13R1.718 COC(=O)CCOC1CCCCC1 34a_100000210231_100000742370 [0,1,0,1,0,0|0,0,0]=2 21441 B13R1.718 COC(=O)CCOC1CCCCC1 7a_100000210231_100000204255 [0,1,0,1,0,0|0,0,0]=2 21442 B13R1.718 COC(=O)CCOC1CCCCO1 34a_100000033831_100000742370 [0,1,0,1,0,0|1,0,0]=3 21443 B13R1.718 COC(=O)CCOC1CCCOC1 34a_100000754041_100000742370 [0,1,0,1,0,0|1,0,0]=3 21444 B13R1.718 COC(=O)CCOC1CCCSC1 7a_100015962668_100000204255 [0,1,0,1,0,0|1,0,0]=3 21445 B13R1.718 COC(=O)CCOC1CCOCC1 34a_100000744328_100000742370 [0,1,0,1,0,0|1,0,0]=3 21446 B13R1.718 COC(=O)CCOC1CCSCC1 34a_100000731022_100000742370 [0,1,0,1,0,0|1,0,0]=3 21447 B13R1.718 COC(=O)CCOC1CCSCC1 7a_100000731022_100000204255 [0,1,0,1,0,0|1,0,0]=3 21448 B13R1.718 COC(=O)CCSC1C=CCCC1 62a_100000204255_100000751183 [0,1,0,1,0,0|0,0,2]=4 21449 B13R1.718 COC(=O)CCSC1C=CCCC1 62a_100000751183_100000204255 [0,1,0,1,0,0|0,0,2]=4 21450 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000204255_100000210327 [0,1,0,1,0,0|0,0,0]=2 21451 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000210327_100000204255 [0,1,0,1,0,0|0,0,0]=2 21452 B13R1.718 COC(=O)CCSC1CCCOC1 62a_100000204255_100000693364 [0,1,0,1,0,0|1,0,0]=3 21453 B13R1.718 COC(=O)CCSC1CCOCC1 62a_100000204255_100011324220 [0,1,0,1,0,0|1,0,0]=3 21454 B13R1.718 COC(=O)CCSC1CCSCC1 62a_100000204255_100000069128 [0,1,0,1,0,0|1,0,0]=3 21455 B13R1.718 COC(=O)CNCC1CCCCC1 2230a_100000210473_100000747449 [0,1,0,1,0,0|0,0,0]=2 21456 B13R1.718 COC(=O)CNCC1CCCCC1 34a_100000210473_100000747449 [0,1,0,1,0,0|0,0,0]=2 21457 B13R1.718 COC(=O)CNCC1CCCCO1 2230a_100000174945_100000747449 [0,1,0,1,0,0|1,0,0]=3 21458 B13R1.718 COC(=O)CNCC1CCCCO1 34a_100000174945_100000747449 [0,1,0,1,0,0|1,0,0]=3 21459 B13R1.718 COC(=O)CNCC1CCCOC1 2230a_100000720124_100000747449 [0,1,0,1,0,0|1,0,0]=3 21460 B13R1.718 COC(=O)CNCC1CCCOC1 34a_100000720124_100000747449 [0,1,0,1,0,0|1,0,0]=3 21461 B13R1.718 COC(=O)CNCC1CCOCC1 2230a_100000746373_100000747449 [0,1,0,1,0,0|1,0,0]=3 21462 B13R1.718 COC(=O)CNCC1CCOCC1 34a_100000746373_100000747449 [0,1,0,1,0,0|1,0,0]=3 21463 B13R1.718 COC(=O)CNCC1CCSCC1 2230a_100015188806_100000747449 [0,1,0,1,0,0|1,0,0]=3 21464 B13R1.718 COC(=O)CNCC1CCSCC1 34a_100015188806_100000747449 [0,1,0,1,0,0|1,0,0]=3 21465 B13R1.718 COC(=O)CNC[C@H]1COCCO1 2230a_100010981119_100000747449 [0,1,0,1,0,0|2,0,0]=4 21466 B13R1.718 COC(=O)CNC[C@H]1COCCO1 34a_100010981119_100000747449 [0,1,0,1,0,0|2,0,0]=4 21467 B13R1.718 COC(=O)COCC1CC=CCC1 34a_100000210713_100000747449 [0,1,0,1,0,0|0,0,2]=4 21468 B13R1.718 COC(=O)COCC1CCCCC1 34a_100000212181_100000747449 [0,1,0,1,0,0|0,0,0]=2 21469 B13R1.718 COC(=O)COCC1CCCCC1 7a_100000212181_100000747449 [0,1,0,1,0,0|0,0,0]=2 21470 B13R1.718 COC(=O)COCC1CCCCN1 34a_100000210821_100000747449 [0,1,0,1,0,0|1,0,0]=3 21471 B13R1.718 COC(=O)COCC1CCCCO1 34a_100000211370_100000747449 [0,1,0,1,0,0|1,0,0]=3 21472 B13R1.718 COC(=O)COCC1CCCCO1 7a_100000211370_100000747449 [0,1,0,1,0,0|1,0,0]=3 21473 B13R1.718 COC(=O)COCC1CCCNC1 34a_100000211344_100000747449 [0,1,0,1,0,0|1,0,0]=3 21474 B13R1.718 COC(=O)COCC1CCCOC1 34a_100000741520_100000747449 [0,1,0,1,0,0|1,0,0]=3 21475 B13R1.718 COC(=O)COCC1CCNCC1 34a_100000738675_100000747449 [0,1,0,1,0,0|1,0,0]=3 21476 B13R1.718 COC(=O)COCC1CCOCC1 34a_100000749013_100000747449 [0,1,0,1,0,0|1,0,0]=3 21477 B13R1.718 COC(=O)COCC1CCSCC1 34a_100000070558_100000747449 [0,1,0,1,0,0|1,0,0]=3 21478 B13R1.718 COC(=O)COCC1CCSCC1 7a_100000070558_100000747449 [0,1,0,1,0,0|1,0,0]=3 21479 B13R1.718 COC(=O)COC[C@@H]1CNCCO1 34a_100015189573_100000747449 [0,1,0,1,0,0|2,0,0]=4 21480 B13R1.718 COC(=O)COC[C@@H]1COCCN1 34a_100000717676_100000747449 [0,1,0,1,0,0|2,0,0]=4 21481 B13R1.718 COC(=O)COC[C@H]1COCCO1 34a_100009875890_100000747449 [0,1,0,1,0,0|2,0,0]=4 21482 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000211423_100000747449 [0,1,0,1,0,0|0,0,0]=2 21483 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000747449_100000211423 [0,1,0,1,0,0|0,0,0]=2 21484 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000211543_100000747449 [0,1,0,1,0,0|1,0,0]=3 21485 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000747449_100000211543 [0,1,0,1,0,0|1,0,0]=3 21486 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000741521_100000747449 [0,1,0,1,0,0|1,0,0]=3 21487 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000747449_100000741521 [0,1,0,1,0,0|1,0,0]=3 21488 B13R1.718 COC(=O)CSCC1CCOCC1 62a_100000747449_100000749018 [0,1,0,1,0,0|1,0,0]=3 21489 B13R1.718 COC(=O)CSCC1CCOCC1 62a_100000754603_100000747449 [0,1,0,1,0,0|1,0,0]=3 21490 B13R1.718 COC(=O)OCSC1CCCCC1 62a_100000210327_100000139417 [0,1,0,1,0,0|1,0,0]=3 21491 B13R1.718 COC(C)CCOC1CCCCC1 7a_100000764861_100000210327 [0,1,0,1,0,0|1,0,1]=4 21492 B13R1.718 COC(C)COCC1CCCCC1 34a_100000690652_100000211423 [0,1,0,1,0,0|1,0,1]=4 21493 B13R1.718 COC(C)SCCC1CCCCC1 62a_100009879195_100012355289 [0,1,0,1,0,0|1,0,1]=4 21494 B13R1.718 COC(C)SCCC1CCCCC1 62a_100012355289_100009879195 [0,1,0,1,0,0|1,0,1]=4 21495 B13R1.718 CO[C@H](C)CNCC1CCCCC1 2230a_100020591295_100000211423 [0,1,0,1,0,0|1,0,1]=4 21496 B13R1.718 CO[C@H](C)CNCC1CCCCC1 269862a_100020591295_100000211278 [0,1,0,1,0,0|1,0,1]=4 21497 B13R1.718 O=C(CF)CCCC1CCCCC1 1458a_100000211478_100015361967 [0,1,0,1,0,0|2,0,0]=4 21498 B13R1.718 O=C(CF)CCCN1CCCCC1 1458a_100000742516_100015361967 [0,1,0,1,0,0|2,0,0]=4 21499 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [0,1,0,1,0,0|2,0,0]=4 21500 B13R1.718 O=C(CO)CCCN1CCCCC1 1458a_100000210174_100000690320 [0,1,0,1,0,0|2,0,0]=4 21501 B13R1.718 O=C(CO)CCOC1CCCCC1 1458a_100000210174_100011211530 [0,1,0,1,0,0|2,0,0]=4 21502 B13R1.718 O=C(CO)NCCC1CCCCC1 240690a_100000738074_100000210174 [0,1,0,1,0,0|2,0,0]=4 21503 B13R1.718 O=C(CO)NCCC1CCCCC1 527a_100000738074_100000210174 [0,1,0,1,0,0|2,0,0]=4 21504 B13R1.1737 CNC(=O)CCCC(=O)C1CCC1 1458a_100000209988_100000741757 [0,1,0,1,0,0|1,0,1]=4 21505 B13R1.1737 CNC(=O)CCCN(C)C1CCC1 2230a_100000758072_100000741757 [0,1,0,1,0,0|2,0,0]=4 21506 B13R1.1737 CNC(=O)CCCN(C)C1CCC1 269982a_100000758072_100000741757 [0,1,0,1,0,0|2,0,0]=4 21507 B13R1.1737 CNC(=O)CCCN(C)C1CCC1 34a_100000758072_100000741757 [0,1,0,1,0,0|2,0,0]=4 21508 B13R1.1737 CNC(=O)CCNC(C)C1CCC1 2230a_100016994624_100000737683 [0,1,0,1,0,0|2,0,0]=4 21509 B13R1.1737 CNC(=O)CCNC(C)C1CCC1 269862a_100000738227_100000760154 [0,1,0,1,0,0|2,0,0]=4 21510 B13R1.1737 CNC(=O)CCNC(C)C1CCC1 34a_100016994624_100012179268 [0,1,0,1,0,0|2,0,0]=4 21511 B13R1.1737 CNC(=O)CCOC(C)C1CCC1 34a_100000766398_100012179268 [0,1,0,1,0,0|2,0,0]=4 21512 B13R1.1737 CNC(=O)CCOC(C)C1CCC1 7a_100000766398_100000737683 [0,1,0,1,0,0|2,0,0]=4 21513 B13R1.1737 COC(=O)CCCC(=O)C1CCC1 1458a_100000209988_100011218270 [0,1,0,1,0,0|0,0,1]=3 21514 B13R1.1737 COC(=O)CCCC(=O)C1CCC1 1458a_100000239890_100000749161 [0,1,0,1,0,0|0,0,1]=3 21515 B13R1.1737 COC(=O)CCCC(=O)C1CCO1 1458a_100000089072_100011218270 [0,1,0,1,0,0|1,0,1]=4 21516 B13R1.1737 COC(=O)CCCC(=O)C1COC1 1458a_100000239890_100000687716 [0,1,0,1,0,0|1,0,1]=4 21517 B13R1.1737 COC(=O)CCCC(=O)C1COC1 1458a_100000758290_100011218270 [0,1,0,1,0,0|1,0,1]=4 21518 B13R1.1737 COC(=O)CCCC(=O)N1CCC1 11a_100000754969_100000239890 [0,1,0,1,0,0|1,0,1]=4 21519 B13R1.1737 COC(=O)CCCC(=O)N1CCC1 240690a_100000754969_100000239890 [0,1,0,1,0,0|1,0,1]=4 21520 B13R1.1737 COC(=O)CCCC(=O)N1CCC1 527a_100000754969_100000239890 [0,1,0,1,0,0|1,0,1]=4 21521 B13R1.1737 COC(=O)CCCN(C)C1CCC1 2230a_100000758072_100011218270 [0,1,0,1,0,0|1,0,0]=3 21522 B13R1.1737 COC(=O)CCCN(C)C1CCC1 269982a_100000739225_100000749161 [0,1,0,1,0,0|1,0,0]=3 21523 B13R1.1737 COC(=O)CCCN(C)C1CCC1 269982a_100000758072_100011218270 [0,1,0,1,0,0|1,0,0]=3 21524 B13R1.1737 COC(=O)CCCN(C)C1CCC1 34a_100000758072_100000742333 [0,1,0,1,0,0|1,0,0]=3 21525 B13R1.1737 COC(=O)CCCN(C)C1COC1 2230a_100102693430_100011218270 [0,1,0,1,0,0|2,0,0]=4 21526 B13R1.1737 COC(=O)CCCN(C)C1COC1 269982a_100000739225_100000687716 [0,1,0,1,0,0|2,0,0]=4 21527 B13R1.1737 COC(=O)CCCN(C)C1COC1 269982a_100102693430_100011218270 [0,1,0,1,0,0|2,0,0]=4 21528 B13R1.1737 COC(=O)CCNC(=O)C1CCC1 188690a_100000683876_100000209988 [0,1,0,1,0,0|1,0,1]=4 21529 B13R1.1737 COC(=O)CCNC(C)C1CCC1 2230a_100016994624_100000204255 [0,1,0,1,0,0|1,0,0]=3 21530 B13R1.1737 COC(=O)CCNC(C)C1CCC1 34a_100016994624_100000742370 [0,1,0,1,0,0|1,0,0]=3 21531 B13R1.1737 COC(=O)CCOC(C)C1CCC1 34a_100000766398_100000742370 [0,1,0,1,0,0|1,0,0]=3 21532 B13R1.1737 COC(=O)CCOC(C)C1CCC1 7a_100000766398_100000204255 [0,1,0,1,0,0|1,0,0]=3 21533 B13R1.1737 COC(=O)COC[C@@H](N)C1COC1 34a_217856628679_100000747449 [0,1,0,1,0,0|2,0,0]=4 21534 B13R1.1737 COC(=O)CSCC(=O)C1CCC1 1458a_100000191316_100000749161 [0,1,0,1,0,0|1,0,1]=4 21535 B13R1.1737 COC(=O)CSCC(=O)C1CCC1 62a_100000686122_100000747449 [0,1,0,1,0,0|1,0,1]=4 21536 B13R1.1737 COC(=O)CSCC(=O)C1CCC1 62a_100000747449_100000686122 [0,1,0,1,0,0|1,0,1]=4 21537 B13R1.1739 CNC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100000741757 [0,1,0,1,0,0|1,0,1]=4 21538 B13R1.1739 CNC(=O)CCCN(C)CC1CC1 2230a_100000741881_100000741757 [0,1,0,1,0,0|2,0,0]=4 21539 B13R1.1739 CNC(=O)CCCN(C)CC1CC1 269982a_100000741881_100000741757 [0,1,0,1,0,0|2,0,0]=4 21540 B13R1.1739 CNC(=O)CCNC(C)CC1CC1 270004a_100000738227_200000686933 [0,1,0,1,0,0|2,0,0]=4 21541 B13R1.1739 COC(=O)CCCC(=O)CC1CC1 1458a_100000239890_100000742324 [0,1,0,1,0,0|0,0,1]=3 21542 B13R1.1739 COC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100011218270 [0,1,0,1,0,0|0,0,1]=3 21543 B13R1.1739 COC(=O)CCCC(=O)CC1CO1 1458a_100000239890_100011216344 [0,1,0,1,0,0|1,0,1]=4 21544 B13R1.1739 COC(=O)CCCC(=O)CC1CS1 1458a_100000239890_100000031435 [0,1,0,1,0,0|1,0,1]=4 21545 B13R1.1739 COC(=O)CCCC(=O)C[C@@H]1CO1 1458a_100000239890_100000745022 [0,1,0,1,0,0|1,0,1]=4 21546 B13R1.1739 COC(=O)CCCC(=O)NC1CC1 1626a_100000212008_100000239890 [0,1,0,1,0,0|1,0,1]=4 21547 B13R1.1739 COC(=O)CCCC(=O)NC1CC1 240690a_100000212008_100000239890 [0,1,0,1,0,0|1,0,1]=4 21548 B13R1.1739 COC(=O)CCCC(=O)NC1CC1 527a_100000212008_100000239890 [0,1,0,1,0,0|1,0,1]=4 21549 B13R1.1739 COC(=O)CCCN(C)CC1CC1 2230a_100000741881_100011218270 [0,1,0,1,0,0|1,0,0]=3 21550 B13R1.1739 COC(=O)CCCN(C)CC1CC1 269982a_100000739225_100000756562 [0,1,0,1,0,0|1,0,0]=3 21551 B13R1.1739 COC(=O)CCCN(C)CC1CC1 269982a_100000741881_100011218270 [0,1,0,1,0,0|1,0,0]=3 21552 B13R1.1739 COC(=O)CCCN(C)CC1CO1 269982a_100000739225_102125554688 [0,1,0,1,0,0|2,0,0]=4 21553 B13R1.1739 COC(=O)CCCN(C)CC1CS1 269982a_100000739225_100000031435 [0,1,0,1,0,0|2,0,0]=4 21554 B13R1.1739 COC(=O)CCCN(C)C[C@@H]1CO1 269982a_100000739225_100000745022 [0,1,0,1,0,0|2,0,0]=4 21555 B13R1.1739 COC(=O)CCNC(=O)CC1CC1 188690a_100000683876_100000738066 [0,1,0,1,0,0|1,0,1]=4 21556 B13R1.1739 COC(=O)CSCC(=O)CC1CC1 1458a_100000191316_100000742324 [0,1,0,1,0,0|1,0,1]=4 21557 B13R1.1868 CCC(=O)CN1CCCCC(C1)O 269982a_100025706797_100000747405 [0,1,0,1,0,0|2,0,0]=4 21558 B13R1.1868 CNC(=O)CN1CCCCC(C1)O 2230a_100025706797_100000183359 [0,1,0,1,0,0|2,0,0]=4 21559 B13R1.1868 CNC(=O)CN1CCCCC(C1)O 269982a_100025706797_100000183359 [0,1,0,1,0,0|2,0,0]=4 21560 B13R1.1868 COC(=O)CN1CCCCC(C1)O 2230a_100025706797_100000747449 [0,1,0,1,0,0|1,0,0]=3 21561 B13R1.1868 COC(=O)CN1CCCCC(C1)O 269982a_100025706797_100000747449 [0,1,0,1,0,0|1,0,0]=3 21562 B13R1.1868 COC(=O)CN1CCOC[C@@H](C1)O 2230a_100016073750_100000747449 [0,1,0,1,0,0|2,0,0]=4 21563 B13R1.1868 COC(=O)CN1CCOC[C@@H](C1)O 269982a_100016073750_100000747449 [0,1,0,1,0,0|2,0,0]=4 21564 B13R1.2042 CNC(=O)CCN1C(CCC1C)C 2230a_100000687148_100000737683 [0,1,0,1,0,0|2,0,0]=4 21565 B13R1.2042 CNC(=O)CCN1C(CCC1C)C 269982a_100000687148_100000737683 [0,1,0,1,0,0|2,0,0]=4 21566 B13R1.2042 CNC(=O)CCN1C(CCC1C)C 34a_100000687148_100012179268 [0,1,0,1,0,0|2,0,0]=4 21567 B13R1.2042 COC(=O)CCN1C(CCC1C)C 2230a_100000687148_100000204255 [0,1,0,1,0,0|1,0,0]=3 21568 B13R1.2042 COC(=O)CCN1C(CCC1C)C 269982a_100000687148_100000204255 [0,1,0,1,0,0|1,0,0]=3 21569 B13R1.2042 COC(=O)CCN1C(CCC1C)C 34a_100000687148_100000742370 [0,1,0,1,0,0|1,0,0]=3 21570 B13R1.2062 CCC(=O)NCCC1(CCCC1)O 11a_100000719956_100000210414 [0,1,0,1,0,0|2,0,0]=4 21571 B13R1.2062 CCC(=O)NCCC1(CCCC1)O 1626a_100000719956_100000210414 [0,1,0,1,0,0|2,0,0]=4 21572 B13R1.2062 CCC(=O)NCCC1(CCCC1)O 240690a_100000719956_100000210414 [0,1,0,1,0,0|2,0,0]=4 21573 B13R1.2062 CCC(=O)NCCC1(CCCC1)O 527a_100000719956_100000210414 [0,1,0,1,0,0|2,0,0]=4 21574 B13R1.2062 CNC(=O)CCOC1(CCCC1)C 34a_100000751722_100012179268 [0,1,0,1,0,0|2,0,0]=4 21575 B13R1.2062 CNC(=O)CCOC1(CCCC1)C 7a_100000751722_100000737683 [0,1,0,1,0,0|2,0,0]=4 21576 B13R1.2062 CNC(=O)CNCC1(CCCC1)O 2230a_100000737848_100000183359 [0,1,0,1,0,0|2,0,0]=4 21577 B13R1.2062 CNC(=O)COCC1(CCCC1)N 34a_100000749328_100000183359 [0,1,0,1,0,0|2,0,0]=4 21578 B13R1.2062 CNC(=O)NCCC1(CCCC1)O 2708a_100102657272_100000719956 [0,1,0,1,0,0|2,0,0]=4 21579 B13R1.2062 CNC(=O)NCCC1(CCCC1)O 273464a_100102657272_100000719956 [0,1,0,1,0,0|2,0,0]=4 21580 B13R1.2062 CNC(=O)NCCC1(CCCC1)O 512a_100000719956_100102657272 [0,1,0,1,0,0|2,0,0]=4 21581 B13R1.2062 CNC(=O)NCCC1(CCCC1)O 512a_106832991638_100000719956 [0,1,0,1,0,0|2,0,0]=4 21582 B13R1.2062 COC(=O)CCNC1(CCOC1)C 2230a_100000693475_100000204255 [0,1,0,1,0,0|2,0,0]=4 21583 B13R1.2062 COC(=O)CCOC1(CCCC1)C 34a_100000751722_100000742370 [0,1,0,1,0,0|1,0,0]=3 21584 B13R1.2062 COC(=O)CCOC1(CCCC1)C 7a_100000751722_100000204255 [0,1,0,1,0,0|1,0,0]=3 21585 B13R1.2062 COC(=O)CNCC1(CCCC1)O 2230a_100000737848_100000747449 [0,1,0,1,0,0|1,0,0]=3 21586 B13R1.2062 COC(=O)COCC1(CCCC1)N 34a_100000749328_100000747449 [0,1,0,1,0,0|1,0,0]=3 21587 B13R1.2062 COC(=O)COC[C@@]1(CCCN1)C 34a_100016195882_100000747449 [0,1,0,1,0,0|2,0,0]=4 21588 B13R1.2329 CCC1CN(C1)CCCC(=O)NC 2230a_100015205115_100000741757 [0,1,0,1,0,0|2,0,0]=4 21589 B13R1.2329 CCC1CN(C1)CCCC(=O)NC 269982a_100015205115_100000741757 [0,1,0,1,0,0|2,0,0]=4 21590 B13R1.2329 CCC1CN(C1)CCCC(=O)OC 2230a_100015205115_100011218270 [0,1,0,1,0,0|1,0,0]=3 21591 B13R1.2329 CCC1CN(C1)CCCC(=O)OC 269982a_100015205115_100011218270 [0,1,0,1,0,0|1,0,0]=3 21592 B13R1.2329 CCN1CC(C1)NCCC(=O)OC 2230a_200015199589_100000204255 [0,1,0,1,0,0|2,0,0]=4 21593 B13R1.2329 COC(=O)CCCN1CC(C1)CF 269982a_100010363649_100011218270 [0,1,0,1,0,0|2,0,0]=4 21594 B13R1.2329 COC(=O)CCCN1CC(C1)CF 34a_100010363649_100000742333 [0,1,0,1,0,0|2,0,0]=4 21595 B13R1.2329 COC(=O)CCCN1CC(C1)CO 269982a_100016987283_100011218270 [0,1,0,1,0,0|2,0,0]=4 21596 B13R1.2329 COC(=O)CCCN1CC(C1)CO 34a_100016987283_100000742333 [0,1,0,1,0,0|2,0,0]=4 21597 B13R1.2329 COC(=O)CCCN1CC(C1)OC 269982a_100000755009_100011218270 [0,1,0,1,0,0|2,0,0]=4 21598 B13R1.2329 COC(=O)CCCN1CC(C1)SC 269982a_100016990038_100011218270 [0,1,0,1,0,0|2,0,0]=4 21599 B13R1.2329 COC(=O)CCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000204255 [0,1,0,1,0,0|2,0,0]=4 21600 B13R1.2329 COC(=O)CCSC1CC(C1)CO 62a_100000204255_100009874164 [0,1,0,1,0,0|2,0,0]=4 21601 B13R1.2329 COC(=O)CCSC1CC(C1)CO 62a_100009874164_100000204255 [0,1,0,1,0,0|2,0,0]=4 21602 B13R1.2486 CCCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000210211 [0,1,0,1,0,0|0,0,1]=3 21603 B13R1.2486 CCCCC(=O)N1CC1C(=O)OC 240690a_200009830135_100000210183 [0,1,0,1,0,0|1,0,1]=4 21604 B13R1.2486 CCCCC(C)N1CC1C(=O)OC 2230a_200009830135_200011215066 [0,1,0,1,0,0|1,0,0]=3 21605 B13R1.2486 CCCCC(C)N1CC1C(=O)OC 270004a_200009830135_100000210087 [0,1,0,1,0,0|1,0,0]=3 21606 B13R1.2486 CCCNC(=O)C1CC1C(=O)OC 11a_100020643023_100000750770 [0,1,0,1,0,0|1,0,1]=4 21607 B13R1.2486 CCCNC(=O)C1CC1C(=O)OC 240690a_100020643023_100000750770 [0,1,0,1,0,0|1,0,1]=4 21608 B13R1.2486 CCSCC(C)N1CC1C(=O)OC 270004a_200009830135_200011216171 [0,1,0,1,0,0|2,0,0]=4 21609 B13R1.2486 COC(=O)C1CC1C(=O)CCCF 1458a_100000750770_100011934791 [0,1,0,1,0,0|1,0,1]=4 21610 B13R1.2486 COC(=O)C1CC1C(=O)CCCO 1458a_100000750770_100011215043 [0,1,0,1,0,0|1,0,1]=4 21611 B13R1.2486 COC(=O)C1CC1C(=O)CCSC 1458a_100000750770_100000751147 [0,1,0,1,0,0|1,0,1]=4 21612 B13R1.2486 COC(=O)C1CN1C(C)CCSC 270004a_200009830135_100011217047 [0,1,0,1,0,0|2,0,0]=4 21613 B13R1.2486 COCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000233755 [0,1,0,1,0,0|1,0,1]=4 21614 B13R1.2486 COCCC(C)N1CC1C(=O)OC 270004a_200009830135_100000742357 [0,1,0,1,0,0|2,0,0]=4 21615 B13R1.2505 CCCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210211 [0,1,0,1,0,0|1,0,1]=4 21616 B13R1.2872 COC(=O)CN1C[C@H](OC[C@H]1C)C 2230a_100016991869_100000747449 [0,1,0,1,0,0|2,0,0]=4 21617 B13R1.2872 COC(=O)CN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000747449 [0,1,0,1,0,0|2,0,0]=4 21618 B13R1.2872 COC(=O)CN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000747449 [0,1,0,1,0,0|2,0,0]=4 21619 B13R1.2984 COC(=O)CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000747449 [0,1,0,1,0,0|2,0,0]=4 21620 B13R1.2984 COC(=O)CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000747449 [0,1,0,1,0,0|2,0,0]=4 21621 B13R1.2984 COC(=O)CN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000747449 [0,1,0,1,0,0|2,0,0]=4 21622 B13R1.2984 COC(=O)CN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000747449 [0,1,0,1,0,0|2,0,0]=4 21623 B13R1.2984 COC(=O)CN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000747449 [0,1,0,1,0,0|2,0,0]=4 21624 B13R1.4951 CNC(=O)CCCC(=O)C1CC1C 1458a_100000211227_100000741757 [0,1,0,1,0,0|1,0,1]=4 21625 B13R1.4951 COC(=O)CCCC(=O)C1CC1C 1458a_100000211227_100011218270 [0,1,0,1,0,0|0,0,1]=3 21626 B13R1.4951 COC(=O)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011218270 [0,1,0,1,0,0|1,0,1]=4 21627 B13R1.4951 COC(=O)CCNC(=O)C1CC1C 188690a_100000683876_100000211227 [0,1,0,1,0,0|1,0,1]=4 21628 B13R1.11 CCC(=O)CC(=O)C1CCCCC1 1458a_100000210414_100000241979 [0,1,0,1,0,0|1,0,1]=4 21629 B13R1.11 CCC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000747405 [0,1,0,1,0,0|1,0,1]=4 21630 B13R1.11 CCC(=O)CC(C)N1CCCCC1 1458a_100015187720_100000210202 [0,1,0,1,0,0|2,0,0]=4 21631 B13R1.11 CCC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000747405 [0,1,0,1,0,0|2,0,0]=4 21632 B13R1.11 CCC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100000210414 [0,1,0,1,0,0|2,0,0]=4 21633 B13R1.11 CCC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100000210414 [0,1,0,1,0,0|2,0,0]=4 21634 B13R1.11 CCC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100000210414 [0,1,0,1,0,0|2,0,0]=4 21635 B13R1.11 CCC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100000210414 [0,1,0,1,0,0|2,0,0]=4 21636 B13R1.11 CNC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000183359 [0,1,0,1,0,0|1,0,1]=4 21637 B13R1.11 CNC(=O)CC(C)N1CCCCC1 240690a_100102657272_100015187720 [0,1,0,1,0,0|2,0,0]=4 21638 B13R1.11 CNC(=O)CN(C)C1CCCCC1 2230a_100000207522_100000183359 [0,1,0,1,0,0|2,0,0]=4 21639 B13R1.11 CNC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000183359 [0,1,0,1,0,0|2,0,0]=4 21640 B13R1.11 CNC(=O)CN(C)C1CCCCC1 270004a_100000189611_100000210434 [0,1,0,1,0,0|2,0,0]=4 21641 B13R1.11 CNC(=O)CN(C)C1CCCCC1 34a_100000207522_100000183359 [0,1,0,1,0,0|2,0,0]=4 21642 B13R1.11 CNC(=O)N[C@H](C)C1CCCCC1 2708a_100025707633_106832991635 [0,1,0,1,0,0|2,0,0]=4 21643 B13R1.11 CNC(=O)N[C@H](C)C1CCCCC1 2708a_100102657272_100025707633 [0,1,0,1,0,0|2,0,0]=4 21644 B13R1.11 CNC(=O)N[C@H](C)C1CCCCC1 273464a_100025707633_100102657272 [0,1,0,1,0,0|2,0,0]=4 21645 B13R1.11 CNC(=O)N[C@H](C)C1CCCCC1 273464a_100102657272_100025707633 [0,1,0,1,0,0|2,0,0]=4 21646 B13R1.11 CNC(=O)N[C@H](C)C1CCCCC1 512a_100025707633_100102657272 [0,1,0,1,0,0|2,0,0]=4 21647 B13R1.11 CNC(=O)N[C@H](C)C1CCCCC1 512a_106832991638_100025707633 [0,1,0,1,0,0|2,0,0]=4 21648 B13R1.11 COC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000747449 [0,1,0,1,0,0|0,0,1]=3 21649 B13R1.11 COC(=O)CC(=O)C1CCCCC1 1458a_100000211351_100000210327 [0,1,0,1,0,0|0,0,1]=3 21650 B13R1.11 COC(=O)CC(=O)C1CCCCO1 1458a_100000748299_100000747449 [0,1,0,1,0,0|1,0,1]=4 21651 B13R1.11 COC(=O)CC(=O)C1CCCOC1 1458a_100000211351_100000693364 [0,1,0,1,0,0|1,0,1]=4 21652 B13R1.11 COC(=O)CC(=O)C1CCCOC1 1458a_100000741522_100000747449 [0,1,0,1,0,0|1,0,1]=4 21653 B13R1.11 COC(=O)CC(=O)C1CCOCC1 1458a_100000195482_100000747449 [0,1,0,1,0,0|1,0,1]=4 21654 B13R1.11 COC(=O)CC(=O)C1CCOCC1 1458a_100000211351_100011324220 [0,1,0,1,0,0|1,0,1]=4 21655 B13R1.11 COC(=O)CC(=O)C1CCSCC1 1458a_100000755232_100000747449 [0,1,0,1,0,0|1,0,1]=4 21656 B13R1.11 COC(=O)CC(C)N1CCCOC1 2230a_100000131196_100009817358 [0,1,0,1,0,0|2,0,0]=4 21657 B13R1.11 COC(=O)CC(C)N1CCCOC1 269982a_100000131196_100009817358 [0,1,0,1,0,0|2,0,0]=4 21658 B13R1.11 COC(=O)CC(C)N1CCCOC1 34a_100000131196_100009817358 [0,1,0,1,0,0|2,0,0]=4 21659 B13R1.11 COC(=O)CC(C)N1CCOCC1 2230a_100015191051_100009817358 [0,1,0,1,0,0|2,0,0]=4 21660 B13R1.11 COC(=O)CC(C)N1CCOCC1 269982a_100015191051_100009817358 [0,1,0,1,0,0|2,0,0]=4 21661 B13R1.11 COC(=O)CC(C)N1CCOCC1 34a_100015191051_100009817358 [0,1,0,1,0,0|2,0,0]=4 21662 B13R1.11 COC(=O)CC(C)N1CCSCC1 2230a_100000737611_100009817358 [0,1,0,1,0,0|2,0,0]=4 21663 B13R1.11 COC(=O)CC(C)N1CCSCC1 269982a_100000737611_100009817358 [0,1,0,1,0,0|2,0,0]=4 21664 B13R1.11 COC(=O)CN(C)C1CCCCC1 2230a_100000207522_100000747449 [0,1,0,1,0,0|1,0,0]=3 21665 B13R1.11 COC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000747449 [0,1,0,1,0,0|1,0,0]=3 21666 B13R1.11 COC(=O)CN(C)C1CCCCC1 270004a_100000198492_100000210434 [0,1,0,1,0,0|1,0,0]=3 21667 B13R1.11 COC(=O)CN(C)C1CCCCC1 34a_100000207522_100000747449 [0,1,0,1,0,0|1,0,0]=3 21668 B13R1.11 COC(=O)CN(C)C1CCCOC1 270004a_100000198492_100000753404 [0,1,0,1,0,0|2,0,0]=4 21669 B13R1.11 COC(=O)CN(C)C1CCCSC1 270004a_100000198492_100000057913 [0,1,0,1,0,0|2,0,0]=4 21670 B13R1.11 COC(=O)CN(C)C1CCNCC1 270004a_100000198492_100015192401 [0,1,0,1,0,0|2,0,0]=4 21671 B13R1.11 COC(=O)CN(C)C1CCOCC1 2230a_100020587155_100000747449 [0,1,0,1,0,0|2,0,0]=4 21672 B13R1.11 COC(=O)CN(C)C1CCOCC1 269982a_100020587155_100000747449 [0,1,0,1,0,0|2,0,0]=4 21673 B13R1.11 COC(=O)CN(C)C1CCOCC1 270004a_100000198492_100011217826 [0,1,0,1,0,0|2,0,0]=4 21674 B13R1.11 COC(=O)CN(C)C1CCOCC1 34a_100020587155_100000747449 [0,1,0,1,0,0|2,0,0]=4 21675 B13R1.11 COC(=O)CN(C)C1CCSCC1 2230a_100015184757_100000747449 [0,1,0,1,0,0|2,0,0]=4 21676 B13R1.11 COC(=O)CN(C)C1CCSCC1 269982a_100015184757_100000747449 [0,1,0,1,0,0|2,0,0]=4 21677 B13R1.11 COC(=O)CN(C)C1CCSCC1 270004a_100000198492_100000203788 [0,1,0,1,0,0|2,0,0]=4 21678 B13R1.11 COC(=O)CN(C)C1CCSCC1 34a_100015184757_100000747449 [0,1,0,1,0,0|2,0,0]=4 21679 B13R1.81 CCC1CN(CCO1)CC(=O)OC 2230a_100000736320_100000747449 [0,1,0,1,0,0|2,0,0]=4 21680 B13R1.81 CCC1CN(CCO1)CC(=O)OC 269982a_100000736320_100000747449 [0,1,0,1,0,0|2,0,0]=4 21681 B13R1.81 CCC1CN(CCO1)CC(=O)OC 34a_100000736320_100000747449 [0,1,0,1,0,0|2,0,0]=4 21682 B13R1.81 CCN1CCCC(C1)CC(=O)OC 2230a_100016989293_100000210202 [0,1,0,1,0,0|1,0,0]=3 21683 B13R1.81 CCN1CCCC(C1)CC(=O)OC 269982a_100016989293_100000204670 [0,1,0,1,0,0|1,0,0]=3 21684 B13R1.81 CCN1CCOC(C1)CC(=O)OC 2230a_100000684468_100000210202 [0,1,0,1,0,0|2,0,0]=4 21685 B13R1.81 CCN1CCOC(C1)CC(=O)OC 269982a_100000684468_100000204670 [0,1,0,1,0,0|2,0,0]=4 21686 B13R1.81 COC(=O)CC1CCCC(C1)OC 7a_200010992784_200000210301 [0,1,0,1,0,0|1,0,0]=3 21687 B13R1.81 COC(=O)CC1CCCC(C1)O[13CH3] 7a_200010992784_200025704644 [0,1,0,1,0,0|1,0,0]=3 21688 B13R1.81 COC(=O)CC1CCCN(C1)CF 269982a_100016989293_100015361967 [0,1,0,1,0,0|2,0,0]=4 21689 B13R1.81 COC(=O)CN1CCCC(C1)CF 2230a_100016992999_100000747449 [0,1,0,1,0,0|2,0,0]=4 21690 B13R1.81 COC(=O)CN1CCCC(C1)CF 269982a_100016992999_100000747449 [0,1,0,1,0,0|2,0,0]=4 21691 B13R1.81 COC(=O)CN1CCCC(C1)CF 34a_100016992999_100000747449 [0,1,0,1,0,0|2,0,0]=4 21692 B13R1.81 COC(=O)CN1CCCC(C1)CO 2230a_100000211344_100000747449 [0,1,0,1,0,0|2,0,0]=4 21693 B13R1.81 COC(=O)CN1CCCC(C1)CO 269982a_100000211344_100000747449 [0,1,0,1,0,0|2,0,0]=4 21694 B13R1.81 COC(=O)CN1CCCC(C1)CO 34a_100000211344_100000747449 [0,1,0,1,0,0|2,0,0]=4 21695 B13R1.81 COC(=O)CN1CCCC(C1)OC 2230a_100000695604_100000747449 [0,1,0,1,0,0|2,0,0]=4 21696 B13R1.81 COC(=O)CN1CCCC(C1)OC 269982a_100000695604_100000747449 [0,1,0,1,0,0|2,0,0]=4 21697 B13R1.81 COC(=O)CN1CCCC(C1)OC 34a_100000695604_100000747449 [0,1,0,1,0,0|2,0,0]=4 21698 B13R1.191 CCCCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210326 [0,1,0,1,0,0|2,0,0]=4 21699 B13R1.191 CCCCCNC1CC(=O)N(C1)C 34a_100000748898_100000718602 [0,1,0,1,0,0|2,0,0]=4 21700 B13R1.191 CCCCOCC1CC(=O)N(C1)C 34a_100015185614_100000210210 [0,1,0,1,0,0|2,0,0]=4 21701 B13R1.360 CCCN1CC[C@@H](C1)CC(=O)OC 2230a_100020634416_100000210303 [0,1,0,1,0,0|1,0,0]=3 21702 B13R1.360 CCCN1CC[C@@H](C1)CC(=O)OC 269982a_100020634416_100000210303 [0,1,0,1,0,0|1,0,0]=3 21703 B13R1.360 CCO[C@H]1CCN(C1)CC(=O)OC 2230a_100011787710_100000747449 [0,1,0,1,0,0|2,0,0]=4 21704 B13R1.360 CCO[C@H]1CCN(C1)CC(=O)OC 269982a_100011787710_100000747449 [0,1,0,1,0,0|2,0,0]=4 21705 B13R1.360 CCO[C@H]1CCN(C1)CC(=O)OC 34a_100011787710_100000747449 [0,1,0,1,0,0|2,0,0]=4 21706 B13R1.360 COC(=O)CN1CCC(C1)CCO 2230a_100016987287_100000747449 [0,1,0,1,0,0|2,0,0]=4 21707 B13R1.360 COC(=O)CN1CCC(C1)CCO 269982a_100016987287_100000747449 [0,1,0,1,0,0|2,0,0]=4 21708 B13R1.360 COC(=O)CN1CCC(C1)CCO 34a_100016987287_100000747449 [0,1,0,1,0,0|2,0,0]=4 21709 B13R1.360 COC(=O)C[C@H]1CCN(C1)CCF 2230a_100020634416_100011217306 [0,1,0,1,0,0|2,0,0]=4 21710 B13R1.360 COC(=O)C[C@H]1CCN(C1)CCF 269982a_100020634416_100011217306 [0,1,0,1,0,0|2,0,0]=4 21711 B13R1.360 COC(=O)C[C@H]1CCN(C1)CCO 2230a_100020634416_100000211926 [0,1,0,1,0,0|2,0,0]=4 21712 B13R1.360 COC(=O)C[C@H]1CCN(C1)CCO 269982a_100020634416_100000211926 [0,1,0,1,0,0|2,0,0]=4 21713 B13R1.360 COC(=O)C[C@H]1CCN(C1)CSC 2230a_100020634416_100011218213 [0,1,0,1,0,0|2,0,0]=4 21714 B13R1.360 COC(=O)C[C@H]1CCN(C1)CSC 269982a_100020634416_100011218213 [0,1,0,1,0,0|2,0,0]=4 21715 B13R1.360 COCC1CCN(C1)CC(=O)OC 2230a_100025706693_100000747449 [0,1,0,1,0,0|2,0,0]=4 21716 B13R1.360 COCC1CCN(C1)CC(=O)OC 269982a_100025706693_100000747449 [0,1,0,1,0,0|2,0,0]=4 21717 B13R1.360 COCC1CCN(C1)CC(=O)OC 34a_100025706693_100000747449 [0,1,0,1,0,0|2,0,0]=4 21718 B13R1.360 COCN1CC[C@@H](C1)CC(=O)OC 2230a_100020634416_100000766300 [0,1,0,1,0,0|2,0,0]=4 21719 B13R1.360 COCN1CC[C@@H](C1)CC(=O)OC 269982a_100020634416_100000766300 [0,1,0,1,0,0|2,0,0]=4 21720 B13R1.439 CCC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000747405 [0,1,0,1,0,0|1,0,1]=4 21721 B13R1.439 CNC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000183359 [0,1,0,1,0,0|1,0,1]=4 21722 B13R1.439 COC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000747449 [0,1,0,1,0,0|0,0,1]=3 21723 B13R1.439 COC(=O)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211351 [0,1,0,1,0,0|1,0,1]=4 21724 B13R1.439 COC(=O)CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211351 [0,1,0,1,0,0|1,0,1]=4 21725 B13R1.439 COC(=O)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000747449 [0,1,0,1,0,0|1,0,1]=4 21726 B13R1.439 COC(=O)CC(C)N1CCC[C@@H]1C 2230a_100020605311_100009817358 [0,1,0,1,0,0|1,0,0]=3 21727 B13R1.439 COC(=O)CC(C)N1CCC[C@@H]1C 269982a_100020605311_100009817358 [0,1,0,1,0,0|1,0,0]=3 21728 B13R1.439 COC(=O)CC(C)N1CCC[C@H]1C 2230a_100015189458_100009817358 [0,1,0,1,0,0|1,0,0]=3 21729 B13R1.439 COC(=O)CC(C)N1CCC[C@H]1C 269982a_100015189458_100009817358 [0,1,0,1,0,0|1,0,0]=3 21730 B13R1.439 COC(=O)CC(C)N1CCC[C@H]1C 34a_100015189458_100009817358 [0,1,0,1,0,0|1,0,0]=3 21731 B13R1.439 COC(=O)CC(C)N1CCSC1C 2230a_200011216479_100009817358 [0,1,0,1,0,0|2,0,0]=4 21732 B13R1.439 COC(=O)CC(C)N1CCSC1C 269982a_200011216479_100009817358 [0,1,0,1,0,0|2,0,0]=4 21733 B13R1.439 COC(=O)CC(C)N1CCSC1C 34a_200011216479_100009817358 [0,1,0,1,0,0|2,0,0]=4 21734 B13R1.439 COC(=O)CN(C)C1CCOC1C 270004a_100000198492_100000691750 [0,1,0,1,0,0|2,0,0]=4 21735 B13R1.441 COC(=O)CC(=O)CSC1CCC1 62a_100000210525_100000749161 [0,1,0,1,0,0|1,0,1]=4 21736 B13R1.441 COC(=O)CC(=O)NCC1CCC1 240690a_100000738700_100000211351 [0,1,0,1,0,0|1,0,1]=4 21737 B13R1.441 COC(=O)CC(C)NCC1CCC1 2230a_100000738700_100009817358 [0,1,0,1,0,0|1,0,0]=3 21738 B13R1.441 COC(=O)CC(C)NCC1CCC1 34a_100000738700_100009817358 [0,1,0,1,0,0|1,0,0]=3 21739 B13R1.441 COC(=O)CC(C)NCC1COC1 2230a_100015281925_100009817358 [0,1,0,1,0,0|2,0,0]=4 21740 B13R1.441 COC(=O)CC(C)NCC1COC1 34a_100015281925_100009817358 [0,1,0,1,0,0|2,0,0]=4 21741 B13R1.441 COC(=O)CC(C)NC[C@@H]1CCO1 2230a_100020831831_100009817358 [0,1,0,1,0,0|2,0,0]=4 21742 B13R1.441 COC(=O)CC(C)NC[C@@H]1CCO1 34a_100020831831_100009817358 [0,1,0,1,0,0|2,0,0]=4 21743 B13R1.441 COC(=O)CC(C)OCC1CCC1 34a_100000760304_100009817358 [0,1,0,1,0,0|1,0,0]=3 21744 B13R1.441 COC(=O)CC(C)OCC1CCO1 34a_100000039022_100009817358 [0,1,0,1,0,0|2,0,0]=4 21745 B13R1.441 COC(=O)CC(C)OCC1CNC1 34a_100016987283_100009817358 [0,1,0,1,0,0|2,0,0]=4 21746 B13R1.441 COC(=O)CC(C)OCC1COC1 34a_100000060846_100009817358 [0,1,0,1,0,0|2,0,0]=4 21747 B13R1.441 COC(=O)CC(C)SCC1CCC1 62a_100000763275_100009817358 [0,1,0,1,0,0|1,0,0]=3 21748 B13R1.441 COC(=O)CC(C)SCC1CCC1 62a_100009817358_100000763275 [0,1,0,1,0,0|1,0,0]=3 21749 B13R1.441 COC(=O)CC(C)SCC1CCO1 62a_100000103362_100009817358 [0,1,0,1,0,0|2,0,0]=4 21750 B13R1.441 COC(=O)CC(C)SCC1CCO1 62a_100009817358_100000103362 [0,1,0,1,0,0|2,0,0]=4 21751 B13R1.441 COC(=O)CC(C)SCC1COC1 62a_100009817358_100010264016 [0,1,0,1,0,0|2,0,0]=4 21752 B13R1.441 COC(=O)CC(C)SCC1COC1 62a_100010264016_100009817358 [0,1,0,1,0,0|2,0,0]=4 21753 B13R1.441 COC(=O)C[C@@H](O)CNC1CCC1 34a_100000749019_100000754131 [0,1,0,1,0,0|1,0,0]=3 21754 B13R1.441 COC(=O)C[C@@H](O)COC1CCC1 34a_100000748187_100000754131 [0,1,0,1,0,0|1,0,0]=3 21755 B13R1.441 COC(=O)C[C@@H](O)COC1CSC1 7a_100000072292_100000754131 [0,1,0,1,0,0|2,0,0]=4 21756 B13R1.441 COC(=O)C[C@@H](O)CSC1CCC1 62a_100000754131_100000749161 [0,1,0,1,0,0|1,0,0]=3 21757 B13R1.441 COC(=O)C[C@@H](O)CSC1COC1 62a_100000754131_100009818527 [0,1,0,1,0,0|2,0,0]=4 21758 B13R1.442 COC(=O)CC(=O)CCCC1CO1 1458a_100000211351_100000733510 [0,1,0,1,0,0|1,0,1]=4 21759 B13R1.442 COC(=O)CC(=O)CSCC1CC1 1458a_200011316215_100000747449 [0,1,0,1,0,0|1,0,1]=4 21760 B13R1.442 COC(=O)CC(=O)CSCC1CC1 62a_100000210525_100000742324 [0,1,0,1,0,0|1,0,1]=4 21761 B13R1.442 COC(=O)CC(=O)CSCC1CC1 62a_100000756562_100000210525 [0,1,0,1,0,0|1,0,1]=4 21762 B13R1.442 COC(=O)CC(=O)NCCC1CC1 240690a_100000764129_100000211351 [0,1,0,1,0,0|1,0,1]=4 21763 B13R1.442 COC(=O)CC(C)NCCC1CC1 34a_100000764129_100009817358 [0,1,0,1,0,0|1,0,0]=3 21764 B13R1.442 COC(=O)CC(C)OCCC1CC1 34a_100000754188_100009817358 [0,1,0,1,0,0|1,0,0]=3 21765 B13R1.442 COC(=O)CC(C)OCCC1CC1 7a_100000754188_100009817358 [0,1,0,1,0,0|1,0,0]=3 21766 B13R1.442 COC(=O)CC(C)OCC[C@@H]1CO1 34a_100009820653_100009817358 [0,1,0,1,0,0|2,0,0]=4 21767 B13R1.442 COC(=O)CC(C)SCCC1CC1 62a_100000764125_100009817358 [0,1,0,1,0,0|1,0,0]=3 21768 B13R1.442 COC(=O)CC(C)SCCC1CC1 62a_100009817358_100000764125 [0,1,0,1,0,0|1,0,0]=3 21769 B13R1.442 COC(=O)CC(C)SCCC1CO1 62a_100000732470_100009817358 [0,1,0,1,0,0|2,0,0]=4 21770 B13R1.442 COC(=O)CC(C)SCCC1CO1 62a_100009817358_100000732470 [0,1,0,1,0,0|2,0,0]=4 21771 B13R1.442 COC(=O)CN(C)CCCC1CO1 2230a_100000198492_100000733510 [0,1,0,1,0,0|2,0,0]=4 21772 B13R1.442 COC(=O)C[C@@H](O)CNCC1CC1 34a_100000735609_100000754131 [0,1,0,1,0,0|1,0,0]=3 21773 B13R1.442 COC(=O)C[C@@H](O)COCC1CC1 34a_100000211283_100000754131 [0,1,0,1,0,0|1,0,0]=3 21774 B13R1.442 COC(=O)C[C@@H](O)COC[C@@H]1CO1 34a_100000757423_100000754131 [0,1,0,1,0,0|2,0,0]=4 21775 B13R1.442 COC(=O)C[C@@H](O)CSCC1CC1 62a_100000754131_100000742324 [0,1,0,1,0,0|1,0,0]=3 21776 B13R1.442 COC(=O)C[C@@H](O)CSCC1CC1 62a_100000756562_100000754131 [0,1,0,1,0,0|1,0,0]=3 21777 B13R1.442 COC(=O)C[C@@H](O)CSCC1CO1 62a_100000754131_102125554688 [0,1,0,1,0,0|2,0,0]=4 21778 B13R1.442 COC(=O)C[C@@H](O)CSCC1CO1 62a_102125554688_100000754131 [0,1,0,1,0,0|2,0,0]=4 21779 B13R1.442 COC(=O)C[C@@H](O)CSCC1CS1 62a_100000031435_100000754131 [0,1,0,1,0,0|2,0,0]=4 21780 B13R1.442 COC(=O)C[C@@H](O)CSCC1CS1 62a_100000754131_100000031435 [0,1,0,1,0,0|2,0,0]=4 21781 B13R1.442 COC(=O)C[C@@H](O)CSC[C@@H]1CO1 62a_100000745022_100000754131 [0,1,0,1,0,0|2,0,0]=4 21782 B13R1.442 COC(=O)C[C@@H](O)CSC[C@@H]1CO1 62a_100000754131_100000745022 [0,1,0,1,0,0|2,0,0]=4 21783 B13R1.545 CCC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000747405 [0,1,0,1,0,0|1,0,1]=4 21784 B13R1.545 CNC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000183359 [0,1,0,1,0,0|1,0,1]=4 21785 B13R1.545 CNC(=O)CN(C)CC1CCCC1 2230a_100000189611_100000740388 [0,1,0,1,0,0|2,0,0]=4 21786 B13R1.545 COC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000747449 [0,1,0,1,0,0|0,0,1]=3 21787 B13R1.545 COC(=O)CC(=O)CC1CCCC1 1458a_100000211351_100000740388 [0,1,0,1,0,0|0,0,1]=3 21788 B13R1.545 COC(=O)CC(=O)CC1CCCO1 1458a_100000211351_100000203698 [0,1,0,1,0,0|1,0,1]=4 21789 B13R1.545 COC(=O)CC(=O)CC1CCOC1 1458a_100000211351_100000702531 [0,1,0,1,0,0|1,0,1]=4 21790 B13R1.545 COC(=O)CC(=O)CC1CCOC1 1458a_100011218419_100000747449 [0,1,0,1,0,0|1,0,1]=4 21791 B13R1.545 COC(=O)CC(=O)CN1CCCC1 1458a_100000740243_100000747449 [0,1,0,1,0,0|1,0,1]=4 21792 B13R1.545 COC(=O)CC(=O)NC1CCCC1 240690a_100000211070_100000211351 [0,1,0,1,0,0|1,0,1]=4 21793 B13R1.545 COC(=O)CC(C)NC1CCCC1 2230a_100000211070_100009817358 [0,1,0,1,0,0|1,0,0]=3 21794 B13R1.545 COC(=O)CC(C)NC1CCCC1 34a_100000211070_100009817358 [0,1,0,1,0,0|1,0,0]=3 21795 B13R1.545 COC(=O)CC(C)N[C@@H]1CCOC1 2230a_200015188469_100009817358 [0,1,0,1,0,0|2,0,0]=4 21796 B13R1.545 COC(=O)CC(C)N[C@H]1CCOC1 2230a_100015188467_100009817358 [0,1,0,1,0,0|2,0,0]=4 21797 B13R1.545 COC(=O)CC(C)N[C@H]1CCOC1 34a_100015188467_100009817358 [0,1,0,1,0,0|2,0,0]=4 21798 B13R1.545 COC(=O)CC(C)OC1CCCC1 34a_100000210269_100009817358 [0,1,0,1,0,0|1,0,0]=3 21799 B13R1.545 COC(=O)CC(C)OC1CCCC1 7a_100000210269_100009817358 [0,1,0,1,0,0|1,0,0]=3 21800 B13R1.545 COC(=O)CC(C)OC1CCCO1 34a_100000085407_100009817358 [0,1,0,1,0,0|2,0,0]=4 21801 B13R1.545 COC(=O)CC(C)OC1CCSC1 7a_100011232664_100009817358 [0,1,0,1,0,0|2,0,0]=4 21802 B13R1.545 COC(=O)CC(C)O[C@H]1CCOC1 34a_100000717292_100009817358 [0,1,0,1,0,0|2,0,0]=4 21803 B13R1.545 COC(=O)CC(C)SC1CCCC1 62a_100009817358_100000179811 [0,1,0,1,0,0|1,0,0]=3 21804 B13R1.545 COC(=O)CC(C)SC1CCCC1 62a_100011217020_100009817358 [0,1,0,1,0,0|1,0,0]=3 21805 B13R1.545 COC(=O)CC(C)SC1CCOC1 62a_100009817358_100000690089 [0,1,0,1,0,0|2,0,0]=4 21806 B13R1.545 COC(=O)CN(C)CC1CCCC1 2230a_100000198492_100000740388 [0,1,0,1,0,0|1,0,0]=3 21807 B13R1.545 COC(=O)CN(C)CC1CCCO1 2230a_100000198492_100000203698 [0,1,0,1,0,0|2,0,0]=4 21808 B13R1.545 COC(=O)CN(C)CC1CCCO1 2230a_100102946541_100000747449 [0,1,0,1,0,0|2,0,0]=4 21809 B13R1.545 COC(=O)CN(C)CC1CCCO1 269982a_100102946541_100000747449 [0,1,0,1,0,0|2,0,0]=4 21810 B13R1.545 COC(=O)CN(C)CC1CCCO1 34a_100102946541_100000747449 [0,1,0,1,0,0|2,0,0]=4 21811 B13R1.545 COC(=O)CN(C)CC1CCOC1 2230a_100000198492_100000702531 [0,1,0,1,0,0|2,0,0]=4 21812 B13R1.545 COC(=O)CN(C)CC1CCOC1 2230a_100000684583_100000747449 [0,1,0,1,0,0|2,0,0]=4 21813 B13R1.545 COC(=O)CN(C)CC1CCOC1 269982a_100000684583_100000747449 [0,1,0,1,0,0|2,0,0]=4 21814 B13R1.545 COC(=O)CN(C)CC1CCOC1 34a_100000684583_100000747449 [0,1,0,1,0,0|2,0,0]=4 21815 B13R1.1787 COC(=O)CC(C)OCC1CC1C 34a_100000744939_100009817358 [0,1,0,1,0,0|1,0,0]=3 21816 B13R1.1787 COC(=O)CC(C)OCC1CC1C 7a_100000744939_100009817358 [0,1,0,1,0,0|1,0,0]=3 21817 B13R1.1787 COC(=O)C[C@@H](O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000754131 [0,1,0,1,0,0|2,0,0]=4 21818 B13R1.1788 COC(=O)C[C@@H](O)CN1CCC1C 34a_100000755817_100000754131 [0,1,0,1,0,0|1,0,0]=3 21819 B13R1.1870 C=CC(=O)NC1CCCCCCC1 1626a_100000211152_100000185746 [0,1,0,1,0,0|1,0,1]=4 21820 B13R1.1870 C=CC(=O)NC1CCCCCCC1 240690a_100000211152_200121576911 [0,1,0,1,0,0|1,0,1]=4 21821 B13R1.1870 CCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747405 [0,1,0,1,0,0|1,0,0]=3 21822 B13R1.1870 CCC(=O)NC1CCCCCCC1 11a_100000211152_100000210414 [0,1,0,1,0,0|1,0,0]=3 21823 B13R1.1870 CCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210414 [0,1,0,1,0,0|1,0,0]=3 21824 B13R1.1870 CCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210414 [0,1,0,1,0,0|1,0,0]=3 21825 B13R1.1870 CCC(=O)NC1CCCCCCC1 527a_100000211152_100000210414 [0,1,0,1,0,0|1,0,0]=3 21826 B13R1.1870 CNC(=O)CN1CCCCCCC1 2230a_100000211400_100000183359 [0,1,0,1,0,0|1,0,0]=3 21827 B13R1.1870 CNC(=O)CN1CCCCCCC1 269982a_100000211400_100000183359 [0,1,0,1,0,0|1,0,0]=3 21828 B13R1.1870 CNC(=O)CN1CCCCCCC1 34a_100000211400_100000183359 [0,1,0,1,0,0|1,0,0]=3 21829 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100000211152_106832991635 [0,1,0,1,0,0|1,0,0]=3 21830 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100102657272_100000211152 [0,1,0,1,0,0|1,0,0]=3 21831 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100000211152_100102657272 [0,1,0,1,0,0|1,0,0]=3 21832 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100102657272_100000211152 [0,1,0,1,0,0|1,0,0]=3 21833 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_100000211152_100102657272 [0,1,0,1,0,0|1,0,0]=3 21834 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_106832991638_100000211152 [0,1,0,1,0,0|1,0,0]=3 21835 B13R1.1870 COC(=O)CN1CCCCCCC1 2230a_100000211400_100000747449 [0,1,0,1,0,0|0,0,0]=2 21836 B13R1.1870 COC(=O)CN1CCCCCCC1 269982a_100000211400_100000747449 [0,1,0,1,0,0|0,0,0]=2 21837 B13R1.1870 COC(=O)CN1CCCCCCC1 34a_100000211400_100000747449 [0,1,0,1,0,0|0,0,0]=2 21838 B13R1.1870 O=C(CO)NC1CCCCCCC1 240690a_100000211152_100000210174 [0,1,0,1,0,0|2,0,0]=4 21839 B13R1.1870 O=C(CO)NC1CCCCCCC1 527a_100000211152_100000210174 [0,1,0,1,0,0|2,0,0]=4 21840 B13R1.2918 CCCCCCC(=O)C1CCC1=O 1458a_100102632555_100009892977 [0,1,0,1,0,0|1,0,1]=4 21841 B13R1.2918 CCCCCCN(C)C1CCC1=O 269982a_106256046315_100009892977 [0,1,0,1,0,0|2,0,0]=4 21842 B13R1.4917 CCC(=O)NC1(CCCCCC1)C 11a_100000704638_100000210414 [0,1,0,1,0,0|2,0,0]=4 21843 B13R1.4917 CCC(=O)NC1(CCCCCC1)C 1626a_100000704638_100000210414 [0,1,0,1,0,0|2,0,0]=4 21844 B13R1.4917 CCC(=O)NC1(CCCCCC1)C 240690a_100000704638_100000210414 [0,1,0,1,0,0|2,0,0]=4 21845 B13R1.4917 CCC(=O)NC1(CCCCCC1)C 527a_100000704638_100000210414 [0,1,0,1,0,0|2,0,0]=4 21846 B13R1.4917 CNC(=O)NC1(CCCCCC1)C 2708a_100102657272_100000704638 [0,1,0,1,0,0|2,0,0]=4 21847 B13R1.4917 CNC(=O)NC1(CCCCCC1)C 273464a_100000704638_100102657272 [0,1,0,1,0,0|2,0,0]=4 21848 B13R1.4917 CNC(=O)NC1(CCCCCC1)C 273464a_100102657272_100000704638 [0,1,0,1,0,0|2,0,0]=4 21849 B13R1.4917 CNC(=O)NC1(CCCCCC1)C 512a_100000704638_100102657272 [0,1,0,1,0,0|2,0,0]=4 21850 B13R1.15 CCC(=O)CCC1CCCN(C1)C 1458a_100015186358_100000210202 [0,1,0,1,0,0|2,0,0]=4 21851 B13R1.15 CCC(=O)CCN1CCCC(C1)C 1458a_100000210414_100000766211 [0,1,0,1,0,0|2,0,0]=4 21852 B13R1.15 CCC(=O)CCN1CCCC(C1)C 1458a_200000177587_100000210202 [0,1,0,1,0,0|2,0,0]=4 21853 B13R1.15 CCC(=O)NCC1CCCC(C1)O 1626a_100011254705_100000210414 [0,1,0,1,0,0|2,0,0]=4 21854 B13R1.15 CCC(=O)NCC1CCCC(C1)O 240690a_100011254705_100000210414 [0,1,0,1,0,0|2,0,0]=4 21855 B13R1.15 CCC(=O)NCC1CCCC(C1)O 527a_100011254705_100000210414 [0,1,0,1,0,0|2,0,0]=4 21856 B13R1.15 CNC(=O)CCC1CCCN(C1)C 11a_106832991635_100015186358 [0,1,0,1,0,0|2,0,0]=4 21857 B13R1.15 CNC(=O)CCC1CCCN(C1)C 2230a_100015187509_200000210301 [0,1,0,1,0,0|2,0,0]=4 21858 B13R1.15 CNC(=O)CCC1CCCN(C1)C 240690a_100102657272_100015186358 [0,1,0,1,0,0|2,0,0]=4 21859 B13R1.15 CNC(=O)CCC1CCCN(C1)C 269982a_100015187509_200000210301 [0,1,0,1,0,0|2,0,0]=4 21860 B13R1.15 CNC(=O)CCC1CCCN(C1)C 34a_100015187509_200000210301 [0,1,0,1,0,0|2,0,0]=4 21861 B13R1.15 CNC(=O)CCC1CCCN(C1)C 527a_100102657272_100015186358 [0,1,0,1,0,0|2,0,0]=4 21862 B13R1.15 CNC(=O)CCC1CCCN(C1)[13CH3] 2230a_100015187509_200025704644 [0,1,0,1,0,0|2,0,0]=4 21863 B13R1.15 CNC(=O)CCC1CCCN(C1)[13CH3] 269982a_100015187509_200025704644 [0,1,0,1,0,0|2,0,0]=4 21864 B13R1.15 CNC(=O)CCC1CCCN(C1)[13CH3] 34a_100015187509_200025704644 [0,1,0,1,0,0|2,0,0]=4 21865 B13R1.15 CNC(=O)CCN1CCCC(C1)C 240690a_100102657272_200000177587 [0,1,0,1,0,0|2,0,0]=4 21866 B13R1.15 CNC(=O)CCN1CCCC(C1)F 2230a_100000697950_100000737683 [0,1,0,1,0,0|2,0,0]=4 21867 B13R1.15 CNC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000737683 [0,1,0,1,0,0|2,0,0]=4 21868 B13R1.15 CNC(=O)CCN1CCCC(C1)F 34a_100000697950_100012179268 [0,1,0,1,0,0|2,0,0]=4 21869 B13R1.15 CNC(=O)CCN1CCCC(C1)O 2230a_100000211013_100000737683 [0,1,0,1,0,0|2,0,0]=4 21870 B13R1.15 CNC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000737683 [0,1,0,1,0,0|2,0,0]=4 21871 B13R1.15 CNC(=O)CCN1CCC[C@@H](C1)C 2230a_100000717927_100000737683 [0,1,0,1,0,0|2,0,0]=4 21872 B13R1.15 CNC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000737683 [0,1,0,1,0,0|2,0,0]=4 21873 B13R1.15 CNC(=O)CCN1CCC[C@@H](C1)C 34a_100000717927_100012179268 [0,1,0,1,0,0|2,0,0]=4 21874 B13R1.15 CNC(=O)CNC1CCCC(C1)C 2230a_100011194320_100000183359 [0,1,0,1,0,0|2,0,0]=4 21875 B13R1.15 CNC(=O)CNC1CCCC(C1)C 270004a_100000693194_100000183594 [0,1,0,1,0,0|2,0,0]=4 21876 B13R1.15 CNC(=O)CNC1CCCC(C1)C 34a_100011194320_100000183359 [0,1,0,1,0,0|2,0,0]=4 21877 B13R1.15 CNC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000183359 [0,1,0,1,0,0|2,0,0]=4 21878 B13R1.15 CNC(=O)CNC1CCCC(C1)O 270004a_100000693194_100012613340 [0,1,0,1,0,0|2,0,0]=4 21879 B13R1.15 CNC(=O)COC1CCCC(C1)C 34a_100000211399_100000183359 [0,1,0,1,0,0|2,0,0]=4 21880 B13R1.15 CNC(=O)NCC1CCCC(C1)O 2708a_100011254705_106832991635 [0,1,0,1,0,0|2,0,0]=4 21881 B13R1.15 CNC(=O)NCC1CCCC(C1)O 2708a_100102657272_100011254705 [0,1,0,1,0,0|2,0,0]=4 21882 B13R1.15 CNC(=O)NCC1CCCC(C1)O 273464a_100011254705_100102657272 [0,1,0,1,0,0|2,0,0]=4 21883 B13R1.15 CNC(=O)NCC1CCCC(C1)O 273464a_100102657272_100011254705 [0,1,0,1,0,0|2,0,0]=4 21884 B13R1.15 CNC(=O)NCC1CCCC(C1)O 512a_100011254705_100102657272 [0,1,0,1,0,0|2,0,0]=4 21885 B13R1.15 CNC(=O)NCC1CCCC(C1)O 512a_106832991638_100011254705 [0,1,0,1,0,0|2,0,0]=4 21886 B13R1.15 COC(=O)CCC1CCCN(C1)C 2230a_100015184279_200000210301 [0,1,0,1,0,0|1,0,0]=3 21887 B13R1.15 COC(=O)CCC1CCCN(C1)C 269982a_100015184279_200000210301 [0,1,0,1,0,0|1,0,0]=3 21888 B13R1.15 COC(=O)CCC1CCCN(C1)C 34a_100015184279_200000210301 [0,1,0,1,0,0|1,0,0]=3 21889 B13R1.15 COC(=O)CCC1CCCN(C1)[13CH3] 2230a_100015184279_200025704644 [0,1,0,1,0,0|1,0,0]=3 21890 B13R1.15 COC(=O)CCC1CCCN(C1)[13CH3] 269982a_100015184279_200025704644 [0,1,0,1,0,0|1,0,0]=3 21891 B13R1.15 COC(=O)CCC1CCCN(C1)[13CH3] 34a_100015184279_200025704644 [0,1,0,1,0,0|1,0,0]=3 21892 B13R1.15 COC(=O)CCN1CCCC(C1)F 2230a_100000697950_100000204255 [0,1,0,1,0,0|1,0,0]=3 21893 B13R1.15 COC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000204255 [0,1,0,1,0,0|1,0,0]=3 21894 B13R1.15 COC(=O)CCN1CCCC(C1)F 34a_100000697950_100000742370 [0,1,0,1,0,0|1,0,0]=3 21895 B13R1.15 COC(=O)CCN1CCCC(C1)O 2230a_100000211013_100000204255 [0,1,0,1,0,0|1,0,0]=3 21896 B13R1.15 COC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000204255 [0,1,0,1,0,0|1,0,0]=3 21897 B13R1.15 COC(=O)CCN1CCC[C@@H](C1)C 2230a_100000717927_100000204255 [0,1,0,1,0,0|1,0,0]=3 21898 B13R1.15 COC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204255 [0,1,0,1,0,0|1,0,0]=3 21899 B13R1.15 COC(=O)CCN1CCC[C@@H](C1)C 34a_100000717927_100000742370 [0,1,0,1,0,0|1,0,0]=3 21900 B13R1.15 COC(=O)CCN1CCOC(C1)C 2230a_100000729577_100000204255 [0,1,0,1,0,0|2,0,0]=4 21901 B13R1.15 COC(=O)CCN1CCOC(C1)C 269982a_100000729577_100000204255 [0,1,0,1,0,0|2,0,0]=4 21902 B13R1.15 COC(=O)CCN1CCOC(C1)C 34a_100000729577_100000742370 [0,1,0,1,0,0|2,0,0]=4 21903 B13R1.15 COC(=O)CCN1CCOC(C1)O 2230a_100000688207_100000204255 [0,1,0,1,0,0|2,0,0]=4 21904 B13R1.15 COC(=O)CCN1CCOC(C1)O 269982a_100000688207_100000204255 [0,1,0,1,0,0|2,0,0]=4 21905 B13R1.15 COC(=O)CNC1CCCC(C1)C 2230a_100011194320_100000747449 [0,1,0,1,0,0|1,0,0]=3 21906 B13R1.15 COC(=O)CNC1CCCC(C1)C 34a_100011194320_100000747449 [0,1,0,1,0,0|1,0,0]=3 21907 B13R1.15 COC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000747449 [0,1,0,1,0,0|1,0,0]=3 21908 B13R1.15 COC(=O)COC1C=C(CCC1)C 34a_100011218613_100000747449 [0,1,0,1,0,0|1,0,1]=4 21909 B13R1.15 COC(=O)COC1CCCC(=O)C1 34a_100012613340_100000747449 [0,1,0,1,0,0|1,0,1]=4 21910 B13R1.15 COC(=O)COC1CCCC(C1)C 34a_100000211399_100000747449 [0,1,0,1,0,0|1,0,0]=3 21911 B13R1.15 COC(=O)COC1CCOC(C1)C 34a_100011986385_100000747449 [0,1,0,1,0,0|2,0,0]=4 21912 B13R1.15 COC(=O)COC1CCOC(C1)C 7a_100011986385_100000747449 [0,1,0,1,0,0|2,0,0]=4 21913 B13R1.23 CCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210326 [0,1,0,1,0,0|1,0,1]=4 21914 B13R1.23 CCCCCC(C)N1CNC(=O)C1 2230a_200000708111_200011218191 [0,1,0,1,0,0|2,0,0]=4 21915 B13R1.61 CCC(=O)CCC1CCC(C1)CC 1458a_200009887184_100000210202 [0,1,0,1,0,0|1,0,0]=3 21916 B13R1.61 CCC1CCC(C1)CCC(=O)CF 1458a_200009887184_100015361967 [0,1,0,1,0,0|2,0,0]=4 21917 B13R1.61 CCC1CCC(C1)CCC(=O)NC 11a_106832991635_200009887184 [0,1,0,1,0,0|1,0,0]=3 21918 B13R1.61 CCC1CCC(C1)CCC(=O)NC 1626a_100102657272_200009887184 [0,1,0,1,0,0|1,0,0]=3 21919 B13R1.61 CCC1CCC(C1)CCC(=O)NC 240690a_100102657272_200009887184 [0,1,0,1,0,0|1,0,0]=3 21920 B13R1.61 CCC1CCC(C1)CCC(=O)NC 527a_100102657272_200009887184 [0,1,0,1,0,0|1,0,0]=3 21921 B13R1.61 CCC1CCC(C1)NCC(=O)NC 270004a_100000693194_100011218773 [0,1,0,1,0,0|2,0,0]=4 21922 B13R1.61 CCN1CCC(C1)NCC(=O)OC 2230a_100015188829_100000747449 [0,1,0,1,0,0|2,0,0]=4 21923 B13R1.61 CCN1CCC(C1)SCC(=O)OC 62a_100000747449_200011861547 [0,1,0,1,0,0|2,0,0]=4 21924 B13R1.61 CCN1CC[C@H](C1)OCC(=O)OC 2230a_100102564761_100000210202 [0,1,0,1,0,0|2,0,0]=4 21925 B13R1.61 CCN1CC[C@H](C1)OCC(=O)OC 269982a_100102564761_100000204670 [0,1,0,1,0,0|2,0,0]=4 21926 B13R1.61 COC(=O)CCN1CCC(C1)CO 2230a_100000748654_100000204255 [0,1,0,1,0,0|2,0,0]=4 21927 B13R1.61 COC(=O)CCN1CCC(C1)CO 269982a_100000748654_100000204255 [0,1,0,1,0,0|2,0,0]=4 21928 B13R1.61 COC(=O)CCN1CCC(C1)CO 34a_100000748654_100000742370 [0,1,0,1,0,0|2,0,0]=4 21929 B13R1.61 COC(=O)CCN1CC[C@H](C1)OC 2230a_100000766984_100000204255 [0,1,0,1,0,0|2,0,0]=4 21930 B13R1.61 COC(=O)CCN1CC[C@H](C1)OC 269982a_100000766984_100000204255 [0,1,0,1,0,0|2,0,0]=4 21931 B13R1.162 CCC(=O)COC(C)C1CCCC1 7a_100011216366_100000747405 [0,1,0,1,0,0|2,0,0]=4 21932 B13R1.162 CNC(=O)CCC(=O)C1CCCC1 1458a_100011309844_100000179811 [0,1,0,1,0,0|1,0,1]=4 21933 B13R1.162 CNC(=O)CCN(C)C1CCCC1 2230a_100000207505_100000737683 [0,1,0,1,0,0|2,0,0]=4 21934 B13R1.162 CNC(=O)CCN(C)C1CCCC1 2230a_100000750875_100000179811 [0,1,0,1,0,0|2,0,0]=4 21935 B13R1.162 CNC(=O)CCN(C)C1CCCC1 269982a_100000207505_100000737683 [0,1,0,1,0,0|2,0,0]=4 21936 B13R1.162 CNC(=O)CCN(C)C1CCCC1 269982a_100000750875_100000179811 [0,1,0,1,0,0|2,0,0]=4 21937 B13R1.162 CNC(=O)CCN(C)C1CCCC1 270004a_100000750875_100000210133 [0,1,0,1,0,0|2,0,0]=4 21938 B13R1.162 CNC(=O)CCN(C)C1CCCC1 34a_100000207505_100012179268 [0,1,0,1,0,0|2,0,0]=4 21939 B13R1.162 CNC(=O)CNC(C)C1CCCC1 2230a_100015185923_100000183359 [0,1,0,1,0,0|2,0,0]=4 21940 B13R1.162 CNC(=O)CNC(C)C1CCCC1 269862a_100000693194_100000749594 [0,1,0,1,0,0|2,0,0]=4 21941 B13R1.162 CNC(=O)CNC(C)C1CCCC1 270004a_100000693194_100000749594 [0,1,0,1,0,0|2,0,0]=4 21942 B13R1.162 CNC(=O)CNC(C)C1CCCC1 34a_100015185923_100000183359 [0,1,0,1,0,0|2,0,0]=4 21943 B13R1.162 CNC(=O)COC(C)C1CCCC1 34a_100011216366_100000183359 [0,1,0,1,0,0|2,0,0]=4 21944 B13R1.162 CNC(=O)COC(C)C1CCCC1 7a_100011216366_100000183359 [0,1,0,1,0,0|2,0,0]=4 21945 B13R1.162 COC(=O)CCC(=O)C1CCCC1 1458a_100000187943_100000179811 [0,1,0,1,0,0|0,0,1]=3 21946 B13R1.162 COC(=O)CCC(=O)C1CCOC1 1458a_100000187943_100000690089 [0,1,0,1,0,0|1,0,1]=4 21947 B13R1.162 COC(=O)CCC(=O)N1CCCC1 240690a_100000188435_100000187943 [0,1,0,1,0,0|1,0,1]=4 21948 B13R1.162 COC(=O)CCC(=O)N1CCCC1 527a_100000188435_100000187943 [0,1,0,1,0,0|1,0,1]=4 21949 B13R1.162 COC(=O)CCN(C)C1CCCC1 2230a_100000177945_200000210301 [0,1,0,1,0,0|1,0,0]=3 21950 B13R1.162 COC(=O)CCN(C)C1CCCC1 2230a_100000207505_100000204255 [0,1,0,1,0,0|1,0,0]=3 21951 B13R1.162 COC(=O)CCN(C)C1CCCC1 269982a_100000177945_200000210301 [0,1,0,1,0,0|1,0,0]=3 21952 B13R1.162 COC(=O)CCN(C)C1CCCC1 269982a_100000207505_100000204255 [0,1,0,1,0,0|1,0,0]=3 21953 B13R1.162 COC(=O)CCN(C)C1CCCC1 269982a_100025711912_100000179811 [0,1,0,1,0,0|1,0,0]=3 21954 B13R1.162 COC(=O)CCN(C)C1CCCC1 34a_100000177945_200000210301 [0,1,0,1,0,0|1,0,0]=3 21955 B13R1.162 COC(=O)CCN(C)C1CCCC1 34a_100000207505_100000742370 [0,1,0,1,0,0|1,0,0]=3 21956 B13R1.162 COC(=O)CCN(C)C1CCOC1 2230a_100016988252_100000204255 [0,1,0,1,0,0|2,0,0]=4 21957 B13R1.162 COC(=O)CCN(C)C1CCOC1 269982a_100016988252_100000204255 [0,1,0,1,0,0|2,0,0]=4 21958 B13R1.162 COC(=O)CCN(C)C1CCOC1 269982a_100025711912_100000731011 [0,1,0,1,0,0|2,0,0]=4 21959 B13R1.162 COC(=O)CCN(C)C1CCOC1 34a_100016988252_100000742370 [0,1,0,1,0,0|2,0,0]=4 21960 B13R1.162 COC(=O)CCN([13CH3])C1CCCC1 2230a_100000177945_200025704644 [0,1,0,1,0,0|1,0,0]=3 21961 B13R1.162 COC(=O)CCN([13CH3])C1CCCC1 269982a_100000177945_200025704644 [0,1,0,1,0,0|1,0,0]=3 21962 B13R1.162 COC(=O)CCN([13CH3])C1CCCC1 34a_100000177945_200025704644 [0,1,0,1,0,0|1,0,0]=3 21963 B13R1.162 COC(=O)CNC(=O)C1CCCC1 188690a_100000185156_100000210718 [0,1,0,1,0,0|1,0,1]=4 21964 B13R1.162 COC(=O)CNC(C)C1CCCC1 2230a_100015185923_100000747449 [0,1,0,1,0,0|1,0,0]=3 21965 B13R1.162 COC(=O)CNC(C)C1CCCC1 34a_100015185923_100000747449 [0,1,0,1,0,0|1,0,0]=3 21966 B13R1.162 COC(=O)CNC(C)C1CCCO1 2230a_100025754208_100000747449 [0,1,0,1,0,0|2,0,0]=4 21967 B13R1.162 COC(=O)CNC(C)C1CCCO1 34a_100025754208_100000747449 [0,1,0,1,0,0|2,0,0]=4 21968 B13R1.162 COC(=O)COC(C)C1CCCC1 34a_100011216366_100000747449 [0,1,0,1,0,0|1,0,0]=3 21969 B13R1.162 COC(=O)COC(C)C1CCCC1 7a_100011216366_100000747449 [0,1,0,1,0,0|1,0,0]=3 21970 B13R1.162 COC(=O)NCC(=O)C1CCCC1 1458a_100000215747_100000179811 [0,1,0,1,0,0|1,0,1]=4 21971 B13R1.233 CCOC1CN(C1)CCC(=O)OC 269982a_100000732654_100000204255 [0,1,0,1,0,0|2,0,0]=4 21972 B13R1.233 CCOC1CN(C1)CCC(=O)OC 34a_100000732654_100000742370 [0,1,0,1,0,0|2,0,0]=4 21973 B13R1.233 COCC1CC(C1)NCC(=O)OC 2230a_100012180050_100000747449 [0,1,0,1,0,0|2,0,0]=4 21974 B13R1.233 COCC1CN(C1)CCC(=O)OC 2230a_100016993750_100000204255 [0,1,0,1,0,0|2,0,0]=4 21975 B13R1.233 COCC1CN(C1)CCC(=O)OC 269982a_100016993750_100000204255 [0,1,0,1,0,0|2,0,0]=4 21976 B13R1.233 COCC1CN(C1)CCC(=O)OC 34a_100016993750_100000742370 [0,1,0,1,0,0|2,0,0]=4 21977 B13R1.1711 C#CC(=O)CCN1CCCCCC1 1458a_100000211873_100000722644 [0,1,0,1,0,0|1,0,1]=4 21978 B13R1.1711 C=CC(=O)CCN1CCCCCC1 1458a_100000185746_100000722644 [0,1,0,1,0,0|1,0,1]=4 21979 B13R1.1711 C=CC(=O)NCC1CCCCCC1 1626a_100015204231_100000185746 [0,1,0,1,0,0|1,0,1]=4 21980 B13R1.1711 C=CC(=O)NCC1CCCCCC1 240690a_100015204231_200121576911 [0,1,0,1,0,0|1,0,1]=4 21981 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000210414_100000722644 [0,1,0,1,0,0|1,0,0]=3 21982 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210202 [0,1,0,1,0,0|1,0,0]=3 21983 B13R1.1711 CCC(=O)COC1CCCCCC1 34a_100000725409_100011217769 [0,1,0,1,0,0|1,0,0]=3 21984 B13R1.1711 CCC(=O)COC1CCCCCC1 7a_100000210887_100000747405 [0,1,0,1,0,0|1,0,0]=3 21985 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100000747405_100011217769 [0,1,0,1,0,0|1,0,0]=3 21986 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100011217769_100000747405 [0,1,0,1,0,0|1,0,0]=3 21987 B13R1.1711 CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210414 [0,1,0,1,0,0|1,0,0]=3 21988 B13R1.1711 CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210414 [0,1,0,1,0,0|1,0,0]=3 21989 B13R1.1711 CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210414 [0,1,0,1,0,0|1,0,0]=3 21990 B13R1.1711 CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210414 [0,1,0,1,0,0|1,0,0]=3 21991 B13R1.1711 CNC(=O)CCN1CCCCCC1 2230a_100000185865_100000737683 [0,1,0,1,0,0|1,0,0]=3 21992 B13R1.1711 CNC(=O)CCN1CCCCCC1 240690a_100102657272_100000740320 [0,1,0,1,0,0|1,0,0]=3 21993 B13R1.1711 CNC(=O)CCN1CCCCCC1 269982a_100000185865_100000737683 [0,1,0,1,0,0|1,0,0]=3 21994 B13R1.1711 CNC(=O)CCN1CCCCCC1 34a_100000185865_100012179268 [0,1,0,1,0,0|1,0,0]=3 21995 B13R1.1711 CNC(=O)CCN1CCCOCC1 2230a_100000685342_100000737683 [0,1,0,1,0,0|2,0,0]=4 21996 B13R1.1711 CNC(=O)CCN1CCCOCC1 269982a_100000685342_100000737683 [0,1,0,1,0,0|2,0,0]=4 21997 B13R1.1711 CNC(=O)CCN1CCCOCC1 34a_100000685342_100012179268 [0,1,0,1,0,0|2,0,0]=4 21998 B13R1.1711 CNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183359 [0,1,0,1,0,0|1,0,0]=3 21999 B13R1.1711 CNC(=O)CNC1CCCCCC1 270004a_100000693194_100000210131 [0,1,0,1,0,0|1,0,0]=3 22000 B13R1.1711 CNC(=O)CNC1CCCCCC1 34a_100000210984_100000183359 [0,1,0,1,0,0|1,0,0]=3 22001 B13R1.1711 CNC(=O)CNC1CCCNCC1 270004a_100000693194_100015187895 [0,1,0,1,0,0|2,0,0]=4 22002 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000210887_100000183359 [0,1,0,1,0,0|1,0,0]=3 22003 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000750040_100011217769 [0,1,0,1,0,0|1,0,0]=3 22004 B13R1.1711 CNC(=O)COC1CCCCCC1 7a_100000210887_100000183359 [0,1,0,1,0,0|1,0,0]=3 22005 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100000183359_100011217769 [0,1,0,1,0,0|1,0,0]=3 22006 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100011217769_100000183359 [0,1,0,1,0,0|1,0,0]=3 22007 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100015204231_106832991635 [0,1,0,1,0,0|1,0,0]=3 22008 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100102657272_100015204231 [0,1,0,1,0,0|1,0,0]=3 22009 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100015204231_100102657272 [0,1,0,1,0,0|1,0,0]=3 22010 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100102657272_100015204231 [0,1,0,1,0,0|1,0,0]=3 22011 B13R1.1711 CNC(=O)NCC1CCCCCC1 512a_106832991638_100015204231 [0,1,0,1,0,0|1,0,0]=3 22012 B13R1.1711 COC(=O)CCN1CCCCCC1 2230a_100000185865_100000204255 [0,1,0,1,0,0|0,0,0]=2 22013 B13R1.1711 COC(=O)CCN1CCCCCC1 269982a_100000185865_100000204255 [0,1,0,1,0,0|0,0,0]=2 22014 B13R1.1711 COC(=O)CCN1CCCCCC1 34a_100000185865_100000742370 [0,1,0,1,0,0|0,0,0]=2 22015 B13R1.1711 COC(=O)CCN1CCCOCC1 2230a_100000685342_100000204255 [0,1,0,1,0,0|1,0,0]=3 22016 B13R1.1711 COC(=O)CCN1CCCOCC1 269982a_100000685342_100000204255 [0,1,0,1,0,0|1,0,0]=3 22017 B13R1.1711 COC(=O)CCN1CCCOCC1 34a_100000685342_100000742370 [0,1,0,1,0,0|1,0,0]=3 22018 B13R1.1711 COC(=O)CNC1CCCCCC1 2230a_100000210984_100000747449 [0,1,0,1,0,0|0,0,0]=2 22019 B13R1.1711 COC(=O)CNC1CCCCCC1 34a_100000210984_100000747449 [0,1,0,1,0,0|0,0,0]=2 22020 B13R1.1711 COC(=O)COC1CCCCCC1 34a_100000210887_100000747449 [0,1,0,1,0,0|0,0,0]=2 22021 B13R1.1711 COC(=O)COC1CCCCCC1 7a_100000210887_100000747449 [0,1,0,1,0,0|0,0,0]=2 22022 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100000747449_100011217769 [0,1,0,1,0,0|0,0,0]=2 22023 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100011217769_100000747449 [0,1,0,1,0,0|0,0,0]=2 22024 B13R1.1711 COC(C)COC1CCCCCC1 34a_100000690652_100011217769 [0,1,0,1,0,0|1,0,1]=4 22025 B13R1.1711 COC(C)SCC1CCCCCC1 62a_100009879195_200000696569 [0,1,0,1,0,0|1,0,1]=4 22026 B13R1.1711 COC(C)SCC1CCCCCC1 62a_200000696569_100009879195 [0,1,0,1,0,0|1,0,1]=4 22027 B13R1.1711 CO[C@H](C)CNC1CCCCCC1 270004a_100020591295_100000210131 [0,1,0,1,0,0|1,0,1]=4 22028 B13R1.1711 O=C(CF)CCN1CCCCCC1 1458a_100000740320_100015361967 [0,1,0,1,0,0|2,0,0]=4 22029 B13R1.1711 O=C(CO)CCN1CCCCCC1 1458a_100000210174_100000722644 [0,1,0,1,0,0|2,0,0]=4 22030 B13R1.1711 O=C(CO)NCC1CCCCCC1 240690a_100015204231_100000210174 [0,1,0,1,0,0|2,0,0]=4 22031 B13R1.1711 O=C(CO)NCC1CCCCCC1 527a_100015204231_100000210174 [0,1,0,1,0,0|2,0,0]=4 22032 B13R1.2045 CCC(=O)COC1(CCCCC1)C 7a_100011215885_100000747405 [0,1,0,1,0,0|2,0,0]=4 22033 B13R1.2045 CCC(=O)NCC1(CCCCC1)C 11a_100000706052_100000210414 [0,1,0,1,0,0|2,0,0]=4 22034 B13R1.2045 CCC(=O)NCC1(CCCCC1)C 1626a_100000706052_100000210414 [0,1,0,1,0,0|2,0,0]=4 22035 B13R1.2045 CCC(=O)NCC1(CCCCC1)C 240690a_100000706052_100000210414 [0,1,0,1,0,0|2,0,0]=4 22036 B13R1.2045 CCC(=O)NCC1(CCCCC1)C 527a_100000706052_100000210414 [0,1,0,1,0,0|2,0,0]=4 22037 B13R1.2045 CCC(=O)NCC1(CCCCC1)O 11a_100000748649_100000210414 [0,1,0,1,0,0|2,0,0]=4 22038 B13R1.2045 CCC(=O)NCC1(CCCCC1)O 1626a_100000748649_100000210414 [0,1,0,1,0,0|2,0,0]=4 22039 B13R1.2045 CCC(=O)NCC1(CCCCC1)O 240690a_100000748649_100000210414 [0,1,0,1,0,0|2,0,0]=4 22040 B13R1.2045 CCC(=O)NCC1(CCCCC1)O 527a_100000748649_100000210414 [0,1,0,1,0,0|2,0,0]=4 22041 B13R1.2045 CNC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000183359 [0,1,0,1,0,0|2,0,0]=4 22042 B13R1.2045 CNC(=O)CNC1(CCCCC1)C 34a_100000741114_100000183359 [0,1,0,1,0,0|2,0,0]=4 22043 B13R1.2045 CNC(=O)COC1(CCCCC1)C 34a_100011215885_100000183359 [0,1,0,1,0,0|2,0,0]=4 22044 B13R1.2045 CNC(=O)COC1(CCCCC1)C 7a_100011215885_100000183359 [0,1,0,1,0,0|2,0,0]=4 22045 B13R1.2045 CNC(=O)NCC1(CCCCC1)C 2708a_100000706052_106832991635 [0,1,0,1,0,0|2,0,0]=4 22046 B13R1.2045 CNC(=O)NCC1(CCCCC1)C 2708a_100102657272_100000706052 [0,1,0,1,0,0|2,0,0]=4 22047 B13R1.2045 CNC(=O)NCC1(CCCCC1)C 273464a_100000706052_100102657272 [0,1,0,1,0,0|2,0,0]=4 22048 B13R1.2045 CNC(=O)NCC1(CCCCC1)C 273464a_100102657272_100000706052 [0,1,0,1,0,0|2,0,0]=4 22049 B13R1.2045 CNC(=O)NCC1(CCCCC1)C 512a_100000706052_100102657272 [0,1,0,1,0,0|2,0,0]=4 22050 B13R1.2045 CNC(=O)NCC1(CCCCC1)C 512a_106832991638_100000706052 [0,1,0,1,0,0|2,0,0]=4 22051 B13R1.2045 CNC(=O)NCC1(CCCCC1)O 2708a_100102657272_100000748649 [0,1,0,1,0,0|2,0,0]=4 22052 B13R1.2045 CNC(=O)NCC1(CCCCC1)O 273464a_100102657272_100000748649 [0,1,0,1,0,0|2,0,0]=4 22053 B13R1.2045 CNC(=O)NCC1(CCCCC1)O 512a_100000748649_100102657272 [0,1,0,1,0,0|2,0,0]=4 22054 B13R1.2045 CNC(=O)NCC1(CCCCC1)O 512a_106832991638_100000748649 [0,1,0,1,0,0|2,0,0]=4 22055 B13R1.2045 COC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000747449 [0,1,0,1,0,0|1,0,0]=3 22056 B13R1.2045 COC(=O)CNC1(CCCCC1)C 34a_100000741114_100000747449 [0,1,0,1,0,0|1,0,0]=3 22057 B13R1.2045 COC(=O)CNC1(CCOCC1)C 2230a_100000692449_100000747449 [0,1,0,1,0,0|2,0,0]=4 22058 B13R1.2045 COC(=O)CNC1(CCOCC1)C 34a_100000692449_100000747449 [0,1,0,1,0,0|2,0,0]=4 22059 B13R1.2045 COC(=O)COC1(CCCCC1)C 34a_100011215885_100000747449 [0,1,0,1,0,0|1,0,0]=3 22060 B13R1.2045 COC(=O)COC1(CCCCC1)C 7a_100011215885_100000747449 [0,1,0,1,0,0|1,0,0]=3 22061 B13R1.2045 COC(=O)COC1(CCOCC1)C 34a_100011827762_100000747449 [0,1,0,1,0,0|2,0,0]=4 22062 B13R1.2045 COC(=O)COC1(CCOCC1)C 7a_100011827762_100000747449 [0,1,0,1,0,0|2,0,0]=4 22063 B13R1.2045 COC(=O)COC1(CCSCC1)C 34a_200011004327_100000747449 [0,1,0,1,0,0|2,0,0]=4 22064 B13R1.2045 COC(=O)COC1(CCSCC1)C 7a_200011004327_100000747449 [0,1,0,1,0,0|2,0,0]=4 22065 B13R1.2073 CCC1CC1C(=O)NCC(=O)OC 188690a_100000185156_200011661523 [0,1,0,1,0,0|1,0,1]=4 22066 B13R1.2209 CCN1CCC(CC1C(=O)OC)O 2230a_100020629045_100000210202 [0,1,0,1,0,0|1,0,0]=3 22067 B13R1.2209 CCN1CCC(CC1C(=O)OC)O 269982a_100020629045_100000204670 [0,1,0,1,0,0|1,0,0]=3 22068 B13R1.2209 COC(=O)C1CC(CCN1CF)O 269982a_100020629045_100015361967 [0,1,0,1,0,0|2,0,0]=4 22069 B13R1.3538 CCCCCC(C)OC1CCC1=O 34a_100011215632_100009892977 [0,1,0,1,0,0|2,0,0]=4 22070 B13R1.3538 CCCCCC(C)OC1CCC1=O 7a_100011215632_100009892977 [0,1,0,1,0,0|2,0,0]=4 22071 B13R1.3538 CCCCCC(C)SC1CCC1=O 62a_100009892977_200011218191 [0,1,0,1,0,0|2,0,0]=4 22072 B13R1.3538 CCCCCC(C)SC1CCC1=O 62a_200011218191_100009892977 [0,1,0,1,0,0|2,0,0]=4 22073 B13R1.3545 CNC(=O)CCC(=O)CC1CCC1 1458a_100011309844_100000763275 [0,1,0,1,0,0|1,0,1]=4 22074 B13R1.3545 CNC(=O)CCN(C)CC1CCC1 2230a_100000750875_100000763275 [0,1,0,1,0,0|2,0,0]=4 22075 B13R1.3545 CNC(=O)CCN(C)CC1CCC1 2230a_200000750244_100000737683 [0,1,0,1,0,0|2,0,0]=4 22076 B13R1.3545 CNC(=O)CCN(C)CC1CCC1 269982a_100000750875_100000763275 [0,1,0,1,0,0|2,0,0]=4 22077 B13R1.3545 CNC(=O)CCN(C)CC1CCC1 269982a_200000750244_100000737683 [0,1,0,1,0,0|2,0,0]=4 22078 B13R1.3545 CNC(=O)CCN(C)CC1CCC1 34a_200000750244_100012179268 [0,1,0,1,0,0|2,0,0]=4 22079 B13R1.3545 COC(=O)CCC(=O)CC1CCC1 1458a_100000187943_100000763275 [0,1,0,1,0,0|0,0,1]=3 22080 B13R1.3545 COC(=O)CCC(=O)CC1CCO1 1458a_100000187943_100000103362 [0,1,0,1,0,0|1,0,1]=4 22081 B13R1.3545 COC(=O)CCC(=O)CC1COC1 1458a_100000187943_100010264016 [0,1,0,1,0,0|1,0,1]=4 22082 B13R1.3545 COC(=O)CCC(=O)CN1CCC1 269982a_100000754969_100000691467 [0,1,0,1,0,0|1,0,1]=4 22083 B13R1.3545 COC(=O)CCC(=O)NC1CCC1 11a_100000749019_100000187943 [0,1,0,1,0,0|1,0,1]=4 22084 B13R1.3545 COC(=O)CCC(=O)NC1CCC1 1626a_100000749019_100000187943 [0,1,0,1,0,0|1,0,1]=4 22085 B13R1.3545 COC(=O)CCC(=O)NC1CCC1 240690a_100000749019_100000187943 [0,1,0,1,0,0|1,0,1]=4 22086 B13R1.3545 COC(=O)CCC(=O)NC1CCC1 527a_100000749019_100000187943 [0,1,0,1,0,0|1,0,1]=4 22087 B13R1.3545 COC(=O)CCN(C)CC1CCC1 2230a_200000750244_100000204255 [0,1,0,1,0,0|1,0,0]=3 22088 B13R1.3545 COC(=O)CCN(C)CC1CCC1 269982a_100025711912_100000763275 [0,1,0,1,0,0|1,0,0]=3 22089 B13R1.3545 COC(=O)CCN(C)CC1CCC1 269982a_200000750244_100000204255 [0,1,0,1,0,0|1,0,0]=3 22090 B13R1.3545 COC(=O)CCN(C)CC1CCC1 34a_200000750244_100000742370 [0,1,0,1,0,0|1,0,0]=3 22091 B13R1.3545 COC(=O)CCN(C)CC1CCO1 269982a_100025711912_100000103362 [0,1,0,1,0,0|2,0,0]=4 22092 B13R1.3545 COC(=O)CCN(C)CC1COC1 269982a_100025711912_100010264016 [0,1,0,1,0,0|2,0,0]=4 22093 B13R1.3545 COC(=O)CNC(=O)CC1CCC1 188690a_100000185156_100000763092 [0,1,0,1,0,0|1,0,1]=4 22094 B13R1.3545 COC(=O)NCC(=O)CC1CCC1 1458a_100000215747_100000763275 [0,1,0,1,0,0|1,0,1]=4 22095 B13R1.3546 CNC(=O)CCC(=O)CCC1CC1 1458a_100011309844_100000694398 [0,1,0,1,0,0|1,0,1]=4 22096 B13R1.3546 CNC(=O)CCN(C)CCC1CC1 2230a_100000750875_100000694398 [0,1,0,1,0,0|2,0,0]=4 22097 B13R1.3546 CNC(=O)CCN(C)CCC1CC1 269982a_100000750875_100000694398 [0,1,0,1,0,0|2,0,0]=4 22098 B13R1.3546 COC(=O)CCC(=O)CCC1CC1 1458a_100000187943_100000694398 [0,1,0,1,0,0|0,0,1]=3 22099 B13R1.3546 COC(=O)CCC(=O)CCC1CO1 1458a_100000187943_100000732470 [0,1,0,1,0,0|1,0,1]=4 22100 B13R1.3546 COC(=O)CCC(=O)CNC1CC1 34a_100000212008_100000691467 [0,1,0,1,0,0|1,0,1]=4 22101 B13R1.3546 COC(=O)CCC(=O)CSC1CC1 62a_100000691467_100000211595 [0,1,0,1,0,0|1,0,1]=4 22102 B13R1.3546 COC(=O)CCC(=O)NCC1CC1 11a_100000735609_100000187943 [0,1,0,1,0,0|1,0,1]=4 22103 B13R1.3546 COC(=O)CCC(=O)NCC1CC1 1626a_100000735609_100000187943 [0,1,0,1,0,0|1,0,1]=4 22104 B13R1.3546 COC(=O)CCC(=O)NCC1CC1 240690a_100000735609_100000187943 [0,1,0,1,0,0|1,0,1]=4 22105 B13R1.3546 COC(=O)CCC(=O)NCC1CC1 527a_100000735609_100000187943 [0,1,0,1,0,0|1,0,1]=4 22106 B13R1.3546 COC(=O)CCN(C)CCC1CC1 269982a_100025711912_100000694398 [0,1,0,1,0,0|1,0,0]=3 22107 B13R1.3546 COC(=O)CCN(C)CCC1CO1 269982a_100025711912_100000732470 [0,1,0,1,0,0|2,0,0]=4 22108 B13R1.3546 COC(=O)CNC(=O)CCC1CC1 188690a_100000185156_100000756386 [0,1,0,1,0,0|1,0,1]=4 22109 B13R1.3546 COC(=O)NCC(=O)CCC1CC1 1458a_100000215747_100000694398 [0,1,0,1,0,0|1,0,1]=4 22110 B13R1.3547 COC(=O)CCC(=O)N1CCC1C 11a_100000755817_100000187943 [0,1,0,1,0,0|1,0,1]=4 22111 B13R1.3547 COC(=O)CCC(=O)N1CCC1C 240690a_100000755817_100000187943 [0,1,0,1,0,0|1,0,1]=4 22112 B13R1.3547 COC(=O)CCC(=O)N1CCC1C 527a_100000755817_100000187943 [0,1,0,1,0,0|1,0,1]=4 22113 B13R1.3987 C=C1C[C@H](N(C1)CCC)C(=O)OC 2230a_100025771018_100000210303 [0,1,0,1,0,0|1,0,1]=4 22114 B13R1.3987 CCCN1C[C@@H](C[C@H]1C(=O)OC)O 2230a_100000753705_100000210303 [0,1,0,1,0,0|1,0,0]=3 22115 B13R1.3987 CCCN1C[C@@H](C[C@H]1C(=O)OC)O 269982a_100000753705_100000210303 [0,1,0,1,0,0|1,0,0]=3 22116 B13R1.3987 CCCN1C[C@H](C[C@H]1C(=O)OC)F 2230a_100000724535_100000210303 [0,1,0,1,0,0|1,0,0]=3 22117 B13R1.3987 CCCN1C[C@H](C[C@H]1C(=O)OC)F 269982a_100000724535_100000210303 [0,1,0,1,0,0|1,0,0]=3 22118 B13R1.3987 CCCN1C[C@H](C[C@H]1C(=O)OC)F 34a_100000724535_100000210303 [0,1,0,1,0,0|1,0,0]=3 22119 B13R1.3987 COC(=O)[C@@H]1C[C@@H](CN1CCF)F 2230a_100000724535_100011217306 [0,1,0,1,0,0|2,0,0]=4 22120 B13R1.3987 COC(=O)[C@@H]1C[C@@H](CN1CCF)F 269982a_100000724535_100011217306 [0,1,0,1,0,0|2,0,0]=4 22121 B13R1.3987 COC(=O)[C@@H]1C[C@@H](CN1CCF)F 34a_100000724535_100011217306 [0,1,0,1,0,0|2,0,0]=4 22122 B13R1.3987 COC(=O)[C@@H]1C[C@@H](CN1CCO)F 2230a_100000724535_100000211926 [0,1,0,1,0,0|2,0,0]=4 22123 B13R1.3987 COC(=O)[C@@H]1C[C@@H](CN1CCO)F 269982a_100000724535_100000211926 [0,1,0,1,0,0|2,0,0]=4 22124 B13R1.3987 COC(=O)[C@@H]1C[C@@H](CN1CCO)F 34a_100000724535_100000211926 [0,1,0,1,0,0|2,0,0]=4 22125 B13R1.3987 COC(=O)[C@@H]1C[C@@H](CN1CSC)F 2230a_100000724535_100011218213 [0,1,0,1,0,0|2,0,0]=4 22126 B13R1.3987 COC(=O)[C@@H]1C[C@@H](CN1CSC)F 269982a_100000724535_100011218213 [0,1,0,1,0,0|2,0,0]=4 22127 B13R1.3987 COC(=O)[C@@H]1C[C@@H](CN1CSC)F 34a_100000724535_100011218213 [0,1,0,1,0,0|2,0,0]=4 22128 B13R1.3987 COC(=O)[C@@H]1C[C@H](CN1CCF)O 2230a_100000753705_100011217306 [0,1,0,1,0,0|2,0,0]=4 22129 B13R1.3987 COC(=O)[C@@H]1C[C@H](CN1CCF)O 269982a_100000753705_100011217306 [0,1,0,1,0,0|2,0,0]=4 22130 B13R1.3987 COC(=O)[C@@H]1C[C@H](CN1CCO)O 2230a_100000753705_100000211926 [0,1,0,1,0,0|2,0,0]=4 22131 B13R1.3987 COC(=O)[C@@H]1C[C@H](CN1CCO)O 269982a_100000753705_100000211926 [0,1,0,1,0,0|2,0,0]=4 22132 B13R1.3987 COC(=O)[C@@H]1C[C@H](CN1CSC)O 2230a_100000753705_100011218213 [0,1,0,1,0,0|2,0,0]=4 22133 B13R1.3987 COC(=O)[C@@H]1C[C@H](CN1CSC)O 269982a_100000753705_100011218213 [0,1,0,1,0,0|2,0,0]=4 22134 B13R1.3987 COCN1C[C@@H](C[C@H]1C(=O)OC)O 2230a_100000753705_100000766300 [0,1,0,1,0,0|2,0,0]=4 22135 B13R1.3987 COCN1C[C@@H](C[C@H]1C(=O)OC)O 269982a_100000753705_100000766300 [0,1,0,1,0,0|2,0,0]=4 22136 B13R1.3987 COCN1C[C@H](C[C@H]1C(=O)OC)F 2230a_100000724535_100000766300 [0,1,0,1,0,0|2,0,0]=4 22137 B13R1.3987 COCN1C[C@H](C[C@H]1C(=O)OC)F 269982a_100000724535_100000766300 [0,1,0,1,0,0|2,0,0]=4 22138 B13R1.4711 COC(=O)CO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000747449 [0,1,0,1,0,0|2,0,0]=4 22139 B13R1.4928 CCC(=O)CN1C(CCCC1C)C 269982a_100000210447_100000747405 [0,1,0,1,0,0|2,0,0]=4 22140 B13R1.4928 CNC(=O)CN1C(CCCC1C)C 1626a_100102657272_200032004080 [0,1,0,1,0,0|2,0,0]=4 22141 B13R1.4928 CNC(=O)CN1C(CCCC1C)C 2230a_100000210447_100000183359 [0,1,0,1,0,0|2,0,0]=4 22142 B13R1.4928 CNC(=O)CN1C(CCCC1C)C 240690a_100102657272_200032004080 [0,1,0,1,0,0|2,0,0]=4 22143 B13R1.4928 CNC(=O)CN1C(CCCC1C)C 269982a_100000210447_100000183359 [0,1,0,1,0,0|2,0,0]=4 22144 B13R1.4928 CNC(=O)CN1C(CCCC1C)C 34a_100000210447_100000183359 [0,1,0,1,0,0|2,0,0]=4 22145 B13R1.4928 COC(=O)CN1C(CCCC1C)C 2230a_100000210447_100000747449 [0,1,0,1,0,0|1,0,0]=3 22146 B13R1.4928 COC(=O)CN1C(CCCC1C)C 269982a_100000210447_100000747449 [0,1,0,1,0,0|1,0,0]=3 22147 B13R1.4928 COC(=O)CN1C(CCCC1C)C 34a_100000210447_100000747449 [0,1,0,1,0,0|1,0,0]=3 22148 B13R1.4928 COC(=O)CN1[C@@H](COC[C@@H]1C)C 2230a_100103153222_100000747449 [0,1,0,1,0,0|2,0,0]=4 22149 B13R1.4928 COC(=O)CN1[C@@H](COC[C@@H]1C)C 269982a_100103153222_100000747449 [0,1,0,1,0,0|2,0,0]=4 22150 B13R1.4928 COC(=O)CN1[C@@H](COC[C@@H]1C)C 34a_100103153222_100000747449 [0,1,0,1,0,0|2,0,0]=4 22151 B13R1.8912 CCCCOC1(CCC(=O)CC1)C 34a_100012184276_100000210210 [0,1,0,1,0,0|2,0,0]=4 22152 B13R1.8912 CCCCOC1(CCC(=O)CC1)C 7a_100012184276_100000210211 [0,1,0,1,0,0|2,0,0]=4 22153 B13R1.14 C=C1CCN(CC1)CCC(=O)OC 2230a_100000752442_100000204255 [0,1,0,1,0,0|1,0,1]=4 22154 B13R1.14 C=C1CCN(CC1)CCC(=O)OC 269982a_100000752442_100000204255 [0,1,0,1,0,0|1,0,1]=4 22155 B13R1.14 C=C1CCN(CC1)CCC(=O)OC 34a_100000752442_100000742370 [0,1,0,1,0,0|1,0,1]=4 22156 B13R1.14 CCC(=O)CCN1CCC(CC1)C 1458a_100000740328_100000210202 [0,1,0,1,0,0|2,0,0]=4 22157 B13R1.14 CCC(=O)COC1CCC(CC1)C 34a_100000725409_200011216234 [0,1,0,1,0,0|2,0,0]=4 22158 B13R1.14 CCC(=O)COC1CCC(CC1)C 7a_100000210714_100000747405 [0,1,0,1,0,0|2,0,0]=4 22159 B13R1.14 CCC(=O)CSC1CCC(CC1)C 62a_100000747405_200011216234 [0,1,0,1,0,0|2,0,0]=4 22160 B13R1.14 CCC(=O)NCC1CCC(CC1)C 11a_103436935547_100000210414 [0,1,0,1,0,0|2,0,0]=4 22161 B13R1.14 CCC(=O)NCC1CCC(CC1)C 1626a_103436935547_100000210414 [0,1,0,1,0,0|2,0,0]=4 22162 B13R1.14 CCC(=O)NCC1CCC(CC1)C 240690a_103436935547_100000210414 [0,1,0,1,0,0|2,0,0]=4 22163 B13R1.14 CCC(=O)NCC1CCC(CC1)C 527a_103436935547_100000210414 [0,1,0,1,0,0|2,0,0]=4 22164 B13R1.14 CCC(C)CNC1CCC(=O)NC1 2230a_100000748762_100000748023 [0,1,0,1,0,0|2,0,0]=4 22165 B13R1.14 CCC(C)CNC1CCC(=O)NC1 270004a_100000748762_100000243153 [0,1,0,1,0,0|2,0,0]=4 22166 B13R1.14 CCC(C)CNC1CCC(=O)NC1 34a_100000748762_100000748023 [0,1,0,1,0,0|2,0,0]=4 22167 B13R1.14 CCC(C)COC1CCC(=O)CC1 34a_100000764474_100000748023 [0,1,0,1,0,0|2,0,0]=4 22168 B13R1.14 CCC(C)COC1CCC(=O)CC1 7a_100000764474_100000748023 [0,1,0,1,0,0|2,0,0]=4 22169 B13R1.14 CCC(C)COC1CCC(=O)NC1 34a_100000079199_100000748023 [0,1,0,1,0,0|2,0,0]=4 22170 B13R1.14 CCC(C)OCC1CCC(=O)CC1 34a_100000062911_100011215416 [0,1,0,1,0,0|2,0,0]=4 22171 B13R1.14 CCC(O)CNC1CCC(=O)NC1 2230a_100000748762_100011218378 [0,1,0,1,0,0|2,0,0]=4 22172 B13R1.14 CCC(O)CNC1CCC(=O)NC1 34a_100000748762_100011218378 [0,1,0,1,0,0|2,0,0]=4 22173 B13R1.14 CCC(O)COC1CCC(=O)CC1 34a_100000764474_100011218378 [0,1,0,1,0,0|2,0,0]=4 22174 B13R1.14 CCC(O)COC1CCC(=O)CC1 7a_100000764474_100011218378 [0,1,0,1,0,0|2,0,0]=4 22175 B13R1.14 CCC(O)COC1CCC(=O)NC1 34a_100000079199_100011218378 [0,1,0,1,0,0|2,0,0]=4 22176 B13R1.14 CC[C@H](C)CNC1CCC(=O)NC1 2230a_100000748762_100009816398 [0,1,0,1,0,0|2,0,0]=4 22177 B13R1.14 CC[C@H](C)CNC1CCC(=O)NC1 34a_100000748762_100009816398 [0,1,0,1,0,0|2,0,0]=4 22178 B13R1.14 CC[C@H](C)COC1CCC(=O)CC1 34a_100000764474_100009816398 [0,1,0,1,0,0|2,0,0]=4 22179 B13R1.14 CC[C@H](C)COC1CCC(=O)CC1 7a_100000764474_100009816398 [0,1,0,1,0,0|2,0,0]=4 22180 B13R1.14 CC[C@H](C)COC1CCC(=O)NC1 34a_100000079199_100009816398 [0,1,0,1,0,0|2,0,0]=4 22181 B13R1.14 CNC(=O)CCN1CCC(CC1)C 1626a_100102657272_100000740328 [0,1,0,1,0,0|2,0,0]=4 22182 B13R1.14 CNC(=O)CCN1CCC(CC1)C 2230a_100000188429_100000737683 [0,1,0,1,0,0|2,0,0]=4 22183 B13R1.14 CNC(=O)CCN1CCC(CC1)C 240690a_100102657272_100000740328 [0,1,0,1,0,0|2,0,0]=4 22184 B13R1.14 CNC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000737683 [0,1,0,1,0,0|2,0,0]=4 22185 B13R1.14 CNC(=O)CCN1CCC(CC1)C 34a_100000188429_100012179268 [0,1,0,1,0,0|2,0,0]=4 22186 B13R1.14 CNC(=O)CCN1CCC(CC1)F 2230a_100015193889_100000737683 [0,1,0,1,0,0|2,0,0]=4 22187 B13R1.14 CNC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000737683 [0,1,0,1,0,0|2,0,0]=4 22188 B13R1.14 CNC(=O)CCN1CCC(CC1)F 34a_100015193889_100012179268 [0,1,0,1,0,0|2,0,0]=4 22189 B13R1.14 CNC(=O)CCN1CCC(CC1)O 2230a_100025773856_100000737683 [0,1,0,1,0,0|2,0,0]=4 22190 B13R1.14 CNC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000737683 [0,1,0,1,0,0|2,0,0]=4 22191 B13R1.14 CNC(=O)CNC1CCC(CC1)C 270004a_100000693194_100000185489 [0,1,0,1,0,0|2,0,0]=4 22192 B13R1.14 CNC(=O)CNC1CCC(CC1)O 270004a_100000693194_100000764474 [0,1,0,1,0,0|2,0,0]=4 22193 B13R1.14 CNC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000183359 [0,1,0,1,0,0|2,0,0]=4 22194 B13R1.14 CNC(=O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000183359 [0,1,0,1,0,0|2,0,0]=4 22195 B13R1.14 CNC(=O)COC1CCC(CC1)C 34a_100000210714_100000183359 [0,1,0,1,0,0|2,0,0]=4 22196 B13R1.14 CNC(=O)COC1CCC(CC1)C 34a_100000750040_200011216234 [0,1,0,1,0,0|2,0,0]=4 22197 B13R1.14 CNC(=O)COC1CCC(CC1)C 7a_100000210714_100000183359 [0,1,0,1,0,0|2,0,0]=4 22198 B13R1.14 CNC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000183359 [0,1,0,1,0,0|2,0,0]=4 22199 B13R1.14 CNC(=O)CSC1CCC(CC1)C 62a_100000183359_200011216234 [0,1,0,1,0,0|2,0,0]=4 22200 B13R1.14 CNC(=O)NCC1CCC(CC1)C 2708a_100102657272_103436935547 [0,1,0,1,0,0|2,0,0]=4 22201 B13R1.14 CNC(=O)NCC1CCC(CC1)C 2708a_103436935547_106832991635 [0,1,0,1,0,0|2,0,0]=4 22202 B13R1.14 CNC(=O)NCC1CCC(CC1)C 273464a_100102657272_103436935547 [0,1,0,1,0,0|2,0,0]=4 22203 B13R1.14 CNC(=O)NCC1CCC(CC1)C 273464a_103436935547_100102657272 [0,1,0,1,0,0|2,0,0]=4 22204 B13R1.14 CNC(=O)NCC1CCC(CC1)C 512a_106832991638_103436935547 [0,1,0,1,0,0|2,0,0]=4 22205 B13R1.14 COC(=O)CCC1CCN(CC1)C 2230a_100000685932_200000210301 [0,1,0,1,0,0|1,0,0]=3 22206 B13R1.14 COC(=O)CCC1CCN(CC1)C 269982a_100000685932_200000210301 [0,1,0,1,0,0|1,0,0]=3 22207 B13R1.14 COC(=O)CCC1CCN(CC1)C 34a_100000685932_200000210301 [0,1,0,1,0,0|1,0,0]=3 22208 B13R1.14 COC(=O)CCC1CCN(CC1)[13CH3] 2230a_100000685932_200025704644 [0,1,0,1,0,0|1,0,0]=3 22209 B13R1.14 COC(=O)CCC1CCN(CC1)[13CH3] 269982a_100000685932_200025704644 [0,1,0,1,0,0|1,0,0]=3 22210 B13R1.14 COC(=O)CCC1CCN(CC1)[13CH3] 34a_100000685932_200025704644 [0,1,0,1,0,0|1,0,0]=3 22211 B13R1.14 COC(=O)CCN1CCC(CC1)C 2230a_100000188429_100000204255 [0,1,0,1,0,0|1,0,0]=3 22212 B13R1.14 COC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000204255 [0,1,0,1,0,0|1,0,0]=3 22213 B13R1.14 COC(=O)CCN1CCC(CC1)C 34a_100000188429_100000742370 [0,1,0,1,0,0|1,0,0]=3 22214 B13R1.14 COC(=O)CCN1CCC(CC1)F 2230a_100015193889_100000204255 [0,1,0,1,0,0|1,0,0]=3 22215 B13R1.14 COC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000204255 [0,1,0,1,0,0|1,0,0]=3 22216 B13R1.14 COC(=O)CCN1CCC(CC1)F 34a_100015193889_100000742370 [0,1,0,1,0,0|1,0,0]=3 22217 B13R1.14 COC(=O)CCN1CCC(CC1)O 2230a_100025773856_100000204255 [0,1,0,1,0,0|1,0,0]=3 22218 B13R1.14 COC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000204255 [0,1,0,1,0,0|1,0,0]=3 22219 B13R1.14 COC(=O)CCN1CCN(CC1)C 2230a_100000188432_100000204255 [0,1,0,1,0,0|2,0,0]=4 22220 B13R1.14 COC(=O)CCN1CCN(CC1)C 269982a_100000188432_100000204255 [0,1,0,1,0,0|2,0,0]=4 22221 B13R1.14 COC(=O)CCN1CCN(CC1)C 269982a_100000744214_200000210301 [0,1,0,1,0,0|2,0,0]=4 22222 B13R1.14 COC(=O)CCN1CCN(CC1)[13CH3] 269982a_100000744214_200025704644 [0,1,0,1,0,0|2,0,0]=4 22223 B13R1.14 COC(=O)CCN1CCS(=O)CC1 2230a_100000752083_100000204255 [0,1,0,1,0,0|2,0,0]=4 22224 B13R1.14 COC(=O)CCN1CCS(=O)CC1 269982a_100000752083_100000204255 [0,1,0,1,0,0|2,0,0]=4 22225 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000747449 [0,1,0,1,0,0|1,0,0]=3 22226 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000747449 [0,1,0,1,0,0|1,0,0]=3 22227 B13R1.14 COC(=O)COC1CCC(=O)CC1 34a_100000764474_100000747449 [0,1,0,1,0,0|1,0,1]=4 22228 B13R1.14 COC(=O)COC1CCC(=O)CC1 7a_100000764474_100000747449 [0,1,0,1,0,0|1,0,1]=4 22229 B13R1.14 COC(=O)COC1CCC(CC1)C 34a_100000210714_100000747449 [0,1,0,1,0,0|1,0,0]=3 22230 B13R1.14 COC(=O)COC1CCC(CC1)C 7a_100000210714_100000747449 [0,1,0,1,0,0|1,0,0]=3 22231 B13R1.14 COC(=O)COC1CCN(CC1)C 2230a_200020626035_200000210301 [0,1,0,1,0,0|2,0,0]=4 22232 B13R1.14 COC(=O)COC1CCN(CC1)C 269982a_200020626035_200000210301 [0,1,0,1,0,0|2,0,0]=4 22233 B13R1.14 COC(=O)COC1CCN(CC1)[13CH3] 2230a_200020626035_200025704644 [0,1,0,1,0,0|2,0,0]=4 22234 B13R1.14 COC(=O)COC1CCN(CC1)[13CH3] 269982a_200020626035_200025704644 [0,1,0,1,0,0|2,0,0]=4 22235 B13R1.14 COC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000747449 [0,1,0,1,0,0|1,0,0]=3 22236 B13R1.14 COC(=O)CSC1CCC(CC1)C 62a_100000747449_200011216234 [0,1,0,1,0,0|1,0,0]=3 22237 B13R1.14 COC(=O)CSC1CCN(CC1)C 62a_100000747449_100011215917 [0,1,0,1,0,0|2,0,0]=4 22238 B13R1.40 CCC(=O)NC1CCCC(C1C)C 11a_100000211273_100000210414 [0,1,0,1,0,0|2,0,0]=4 22239 B13R1.40 CCC(=O)NC1CCCC(C1C)C 1626a_100000211273_100000210414 [0,1,0,1,0,0|2,0,0]=4 22240 B13R1.40 CCC(=O)NC1CCCC(C1C)C 240690a_100000211273_100000210414 [0,1,0,1,0,0|2,0,0]=4 22241 B13R1.40 CCC(=O)NC1CCCC(C1C)C 527a_100000211273_100000210414 [0,1,0,1,0,0|2,0,0]=4 22242 B13R1.40 CNC(=O)NC1CCCC(C1C)C 2708a_100000211273_106832991635 [0,1,0,1,0,0|2,0,0]=4 22243 B13R1.40 CNC(=O)NC1CCCC(C1C)C 2708a_100102657272_100000211273 [0,1,0,1,0,0|2,0,0]=4 22244 B13R1.40 CNC(=O)NC1CCCC(C1C)C 273464a_100000211273_100102657272 [0,1,0,1,0,0|2,0,0]=4 22245 B13R1.40 CNC(=O)NC1CCCC(C1C)C 273464a_100102657272_100000211273 [0,1,0,1,0,0|2,0,0]=4 22246 B13R1.40 CNC(=O)NC1CCCC(C1C)C 512a_100000211273_100102657272 [0,1,0,1,0,0|2,0,0]=4 22247 B13R1.40 CNC(=O)NC1CCCC(C1C)C 512a_106832991638_100000211273 [0,1,0,1,0,0|2,0,0]=4 22248 B13R1.538 CNC(=O)CCCOCC1CC1C 34a_100000744939_100000741757 [0,1,0,1,0,0|1,0,0]=3 22249 B13R1.538 CNC(=O)CCCOCC1CC1C 7a_100000744939_100000741757 [0,1,0,1,0,0|1,0,0]=3 22250 B13R1.538 CNC(=O)OCCOCC1CC1C 34a_100000744939_200011997002 [0,1,0,1,0,0|2,0,0]=4 22251 B13R1.538 CNC(=O)OCCOCC1CC1C 7a_100000744939_200011997002 [0,1,0,1,0,0|2,0,0]=4 22252 B13R1.538 COC(=O)/C=C/COCC1CC1C 34a_100000744939_100000742655 [0,1,0,1,0,0|0,0,2]=4 22253 B13R1.538 COC(=O)/C=C/COCC1CC1C 7a_100000744939_100000742655 [0,1,0,1,0,0|0,0,2]=4 22254 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000204269 [0,1,0,1,0,0|1,0,0]=3 22255 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000204269 [0,1,0,1,0,0|1,0,0]=3 22256 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000204269 [0,1,0,1,0,0|1,0,0]=3 22257 B13R1.538 COC(=O)CCCOCC1CC1C 34a_100000744939_100000742333 [0,1,0,1,0,0|0,0,0]=2 22258 B13R1.538 COC(=O)CCCOCC1CC1C 7a_100000744939_100011218270 [0,1,0,1,0,0|0,0,0]=2 22259 B13R1.538 COC(=O)COCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000090808 [0,1,0,1,0,0|2,0,0]=4 22260 B13R1.538 COC(=O)COCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000090808 [0,1,0,1,0,0|2,0,0]=4 22261 B13R1.538 COC(=O)COCCN[C@@H]1C[C@H]1F 34a_100025746932_100000090808 [0,1,0,1,0,0|2,0,0]=4 22262 B13R1.539 CCC(=O)NCCNCC1CCC1 269862a_100132302217_100000753134 [0,1,0,1,0,0|2,0,0]=4 22263 B13R1.539 CCC(=O)NCCNCC1CCC1 34a_100132302217_100000763275 [0,1,0,1,0,0|2,0,0]=4 22264 B13R1.539 CCC(=O)NCCOCC1CCC1 34a_200000158885_100000763275 [0,1,0,1,0,0|2,0,0]=4 22265 B13R1.539 CCC(=O)NCCOCC1CCC1 7a_200000158885_100000763275 [0,1,0,1,0,0|2,0,0]=4 22266 B13R1.539 CCC(=O)OCCOCC1CCC1 7a_200000031056_100000763275 [0,1,0,1,0,0|2,0,0]=4 22267 B13R1.539 CNC(=O)CCCNCC1CCC1 2230a_100000738700_100000741757 [0,1,0,1,0,0|1,0,0]=3 22268 B13R1.539 CNC(=O)CCCNCC1CCC1 2230a_100000740002_100000763275 [0,1,0,1,0,0|1,0,0]=3 22269 B13R1.539 CNC(=O)CCCNCC1CCC1 269862a_100000740002_100000753134 [0,1,0,1,0,0|1,0,0]=3 22270 B13R1.539 CNC(=O)CCCNCC1CCC1 34a_100000738700_100000741757 [0,1,0,1,0,0|1,0,0]=3 22271 B13R1.539 CNC(=O)CCCNCC1CCC1 34a_100000740002_100000763275 [0,1,0,1,0,0|1,0,0]=3 22272 B13R1.539 CNC(=O)CCCNCC1CCO1 2230a_100000740002_100000103362 [0,1,0,1,0,0|2,0,0]=4 22273 B13R1.539 CNC(=O)CCCNCC1CCO1 34a_100000740002_100000103362 [0,1,0,1,0,0|2,0,0]=4 22274 B13R1.539 CNC(=O)CCCNCC1COC1 2230a_100000740002_100010264016 [0,1,0,1,0,0|2,0,0]=4 22275 B13R1.539 CNC(=O)CCCNCC1COC1 2230a_100015281925_100000741757 [0,1,0,1,0,0|2,0,0]=4 22276 B13R1.539 CNC(=O)CCCNCC1COC1 34a_100000740002_100010264016 [0,1,0,1,0,0|2,0,0]=4 22277 B13R1.539 CNC(=O)CCCNCC1COC1 34a_100015281925_100000741757 [0,1,0,1,0,0|2,0,0]=4 22278 B13R1.539 CNC(=O)CCCNC[C@@H]1CCO1 2230a_100020831831_100000741757 [0,1,0,1,0,0|2,0,0]=4 22279 B13R1.539 CNC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000741757 [0,1,0,1,0,0|2,0,0]=4 22280 B13R1.539 CNC(=O)CCCOCC1CCC1 34a_100000760304_100000741757 [0,1,0,1,0,0|1,0,0]=3 22281 B13R1.539 CNC(=O)CCCOCC1CCO1 34a_100000039022_100000741757 [0,1,0,1,0,0|2,0,0]=4 22282 B13R1.539 CNC(=O)CCCOCC1CNC1 34a_100016987283_100000741757 [0,1,0,1,0,0|2,0,0]=4 22283 B13R1.539 CNC(=O)CCCOCC1COC1 34a_100000060846_100000741757 [0,1,0,1,0,0|2,0,0]=4 22284 B13R1.539 CNC(=O)CCCSCC1CCC1 62a_100000741757_100000763275 [0,1,0,1,0,0|1,0,0]=3 22285 B13R1.539 CNC(=O)CCCSCC1CCC1 62a_100000763275_100000741757 [0,1,0,1,0,0|1,0,0]=3 22286 B13R1.539 CNC(=O)CCCSCC1CCO1 62a_100000103362_100000741757 [0,1,0,1,0,0|2,0,0]=4 22287 B13R1.539 CNC(=O)CCCSCC1CCO1 62a_100000741757_100000103362 [0,1,0,1,0,0|2,0,0]=4 22288 B13R1.539 CNC(=O)CCCSCC1COC1 62a_100000741757_100010264016 [0,1,0,1,0,0|2,0,0]=4 22289 B13R1.539 CNC(=O)CCCSCC1COC1 62a_100010264016_100000741757 [0,1,0,1,0,0|2,0,0]=4 22290 B13R1.539 CNC(=O)CCOCCC1COC1 34a_100009855314_100012179268 [0,1,0,1,0,0|2,0,0]=4 22291 B13R1.539 CNC(=O)NCCNCC1CCC1 269862a_100015205895_100000753134 [0,1,0,1,0,0|2,0,0]=4 22292 B13R1.539 CNC(=O)NCCNCC1CCC1 34a_100015205895_100000763275 [0,1,0,1,0,0|2,0,0]=4 22293 B13R1.539 CNC(=O)OCCNCC1CCC1 34a_100000738700_200011997002 [0,1,0,1,0,0|2,0,0]=4 22294 B13R1.539 CNC(=O)OCCOCC1CCC1 34a_100000760304_200011997002 [0,1,0,1,0,0|2,0,0]=4 22295 B13R1.539 CNC(=O)OCCSCC1CCC1 62a_100000763275_200011997002 [0,1,0,1,0,0|2,0,0]=4 22296 B13R1.539 CNC(=O)OCCSCC1CCC1 62a_200011997002_100000763275 [0,1,0,1,0,0|2,0,0]=4 22297 B13R1.539 COC(=O)/C=C/CNCC1CCC1 2230a_100000738700_100000742655 [0,1,0,1,0,0|0,0,2]=4 22298 B13R1.539 COC(=O)/C=C/CNCC1CCC1 34a_100000738700_100000742655 [0,1,0,1,0,0|0,0,2]=4 22299 B13R1.539 COC(=O)/C=C/COCC1CCC1 34a_100000760304_100000742655 [0,1,0,1,0,0|0,0,2]=4 22300 B13R1.539 COC(=O)/C=C/CSCC1CCC1 62a_100000742655_100000763275 [0,1,0,1,0,0|0,0,2]=4 22301 B13R1.539 COC(=O)/C=C/CSCC1CCC1 62a_100000763275_100000742655 [0,1,0,1,0,0|0,0,2]=4 22302 B13R1.539 COC(=O)CC=NNCC1CCC1 4a_200020586977_200011552997 [0,1,0,1,0,0|1,0,1]=4 22303 B13R1.539 COC(=O)CCC=NNC1CCC1 4a_100000736358_100012047195 [0,1,0,1,0,0|1,0,1]=4 22304 B13R1.539 COC(=O)CCCCCN1CCC1 269982a_100000754969_100009816466 [0,1,0,1,0,0|0,0,0]=2 22305 B13R1.539 COC(=O)CCCCNC1CCC1 2230a_100000749019_100000204269 [0,1,0,1,0,0|0,0,0]=2 22306 B13R1.539 COC(=O)CCCCNC1CCC1 34a_100000749019_100000204269 [0,1,0,1,0,0|0,0,0]=2 22307 B13R1.539 COC(=O)CCCCNC1COC1 2230a_100016991112_100000204269 [0,1,0,1,0,0|1,0,0]=3 22308 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000059025_100000749161 [0,1,0,1,0,0|0,0,0]=2 22309 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000748187_100000204269 [0,1,0,1,0,0|0,0,0]=2 22310 B13R1.539 COC(=O)CCCCOC1COC1 34a_100000059025_100009818527 [0,1,0,1,0,0|1,0,0]=3 22311 B13R1.539 COC(=O)CCCCOC1COC1 7a_100000059025_100009818527 [0,1,0,1,0,0|1,0,0]=3 22312 B13R1.539 COC(=O)CCCCOC1CSC1 7a_100000072292_100000204269 [0,1,0,1,0,0|1,0,0]=3 22313 B13R1.539 COC(=O)CCCCSC1CCC1 62a_100000204269_100000749161 [0,1,0,1,0,0|0,0,0]=2 22314 B13R1.539 COC(=O)CCCCSC1COC1 62a_100000204269_100009818527 [0,1,0,1,0,0|1,0,0]=3 22315 B13R1.539 COC(=O)CCCNCC1CCC1 2230a_100000738700_100011218270 [0,1,0,1,0,0|0,0,0]=2 22316 B13R1.539 COC(=O)CCCNCC1CCC1 34a_100000738700_100000742333 [0,1,0,1,0,0|0,0,0]=2 22317 B13R1.539 COC(=O)CCCNCC1COC1 2230a_100015281925_100011218270 [0,1,0,1,0,0|1,0,0]=3 22318 B13R1.539 COC(=O)CCCNCC1COC1 34a_100015281925_100000742333 [0,1,0,1,0,0|1,0,0]=3 22319 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 2230a_100020831831_100011218270 [0,1,0,1,0,0|1,0,0]=3 22320 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000742333 [0,1,0,1,0,0|1,0,0]=3 22321 B13R1.539 COC(=O)CCCOCC1CCC1 34a_100000760304_100000742333 [0,1,0,1,0,0|0,0,0]=2 22322 B13R1.539 COC(=O)CCCOCC1CCO1 34a_100000039022_100000742333 [0,1,0,1,0,0|1,0,0]=3 22323 B13R1.539 COC(=O)CCCOCC1CNC1 34a_100016987283_100000742333 [0,1,0,1,0,0|1,0,0]=3 22324 B13R1.539 COC(=O)CCCOCC1COC1 34a_100000060846_100000742333 [0,1,0,1,0,0|1,0,0]=3 22325 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100000763275_100011218270 [0,1,0,1,0,0|0,0,0]=2 22326 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100011218270_100000763275 [0,1,0,1,0,0|0,0,0]=2 22327 B13R1.539 COC(=O)CCCSCC1CCO1 62a_100000103362_100011218270 [0,1,0,1,0,0|1,0,0]=3 22328 B13R1.539 COC(=O)CCCSCC1CCO1 62a_100011218270_100000103362 [0,1,0,1,0,0|1,0,0]=3 22329 B13R1.539 COC(=O)CCCSCC1COC1 62a_100010264016_100011218270 [0,1,0,1,0,0|1,0,0]=3 22330 B13R1.539 COC(=O)CCCSCC1COC1 62a_100011218270_100010264016 [0,1,0,1,0,0|1,0,0]=3 22331 B13R1.539 COC(=O)CCOCCC1COC1 34a_100009855314_100000742370 [0,1,0,1,0,0|1,0,0]=3 22332 B13R1.539 COC(=O)COCCNC1CCC1 2230a_100000749019_100000090808 [0,1,0,1,0,0|1,0,0]=3 22333 B13R1.539 COC(=O)COCCNC1CCC1 34a_100000749019_100000090808 [0,1,0,1,0,0|1,0,0]=3 22334 B13R1.539 COC(=O)COCCNC1COC1 2230a_100016991112_100000090808 [0,1,0,1,0,0|2,0,0]=4 22335 B13R1.539 COC(=O)COCCOC1CCC1 34a_100000748187_100000090808 [0,1,0,1,0,0|1,0,0]=3 22336 B13R1.539 COC(=O)COCCOC1CSC1 7a_100000072292_100000090808 [0,1,0,1,0,0|2,0,0]=4 22337 B13R1.539 COC(=O)COCCSC1CCC1 62a_100000090808_100000749161 [0,1,0,1,0,0|1,0,0]=3 22338 B13R1.539 COC(=O)COCCSC1COC1 62a_100000090808_100009818527 [0,1,0,1,0,0|2,0,0]=4 22339 B13R1.539 COC(=O)NCCOCC1CCC1 34a_100000757965_100000763275 [0,1,0,1,0,0|1,0,0]=3 22340 B13R1.539 COC(=O)NCCOCC1CCO1 34a_100000757965_100000103362 [0,1,0,1,0,0|2,0,0]=4 22341 B13R1.539 COC(=O)NCCOCC1COC1 34a_100000757965_100010264016 [0,1,0,1,0,0|2,0,0]=4 22342 B13R1.539 COC(=O)OCCOCC1CCC1 34a_100010262106_100000763275 [0,1,0,1,0,0|1,0,0]=3 22343 B13R1.539 COC(=O)OCCOCC1CCO1 34a_100010262106_100000103362 [0,1,0,1,0,0|2,0,0]=4 22344 B13R1.539 COC(=O)OCCOCC1COC1 34a_100010262106_100010264016 [0,1,0,1,0,0|2,0,0]=4 22345 B13R1.539 NNC(=O)CCCOCC1CCC1 34a_100000211488_100000763275 [0,1,0,1,0,0|2,0,0]=4 22346 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)OC 11a_100000752040_100000210414 [0,1,0,1,0,0|1,0,1]=4 22347 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)OC 1626a_100000752040_100000210414 [0,1,0,1,0,0|1,0,1]=4 22348 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)OC 240690a_100000752040_100000210414 [0,1,0,1,0,0|1,0,1]=4 22349 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)OC 527a_100000752040_100000210414 [0,1,0,1,0,0|1,0,1]=4 22350 B13R1.553 CCC(C)N1CCC[C@H]1C(=O)NC 2230a_100015185040_100000758301 [0,1,0,1,0,0|2,0,0]=4 22351 B13R1.553 CCC(C)N1CCC[C@H]1C(=O)NC 269982a_100015185040_100000758301 [0,1,0,1,0,0|2,0,0]=4 22352 B13R1.553 CCC(C)N1CCC[C@H]1C(=O)NC 34a_100015185040_100011215416 [0,1,0,1,0,0|2,0,0]=4 22353 B13R1.553 CCC(C)N1CCC[C@H]1C(=O)OC 2230a_100000752040_100000758301 [0,1,0,1,0,0|1,0,0]=3 22354 B13R1.553 CCC(C)N1CCC[C@H]1C(=O)OC 269982a_100000752040_100000758301 [0,1,0,1,0,0|1,0,0]=3 22355 B13R1.553 CCC(C)N1CCSC1C(=O)OC 2230a_100015296106_100000758301 [0,1,0,1,0,0|2,0,0]=4 22356 B13R1.553 CCC(C)N1CCSC1C(=O)OC 269982a_100015296106_100000758301 [0,1,0,1,0,0|2,0,0]=4 22357 B13R1.553 CCC(C)N1CSCC1C(=O)OC 269982a_200000724679_100000758301 [0,1,0,1,0,0|2,0,0]=4 22358 B13R1.553 COC(=O)[C@@H]1CCCN1C(C)CO 2230a_100000752040_100012180447 [0,1,0,1,0,0|2,0,0]=4 22359 B13R1.553 COC(=O)[C@@H]1CCCN1C(C)OC 269982a_100000752040_100009879195 [0,1,0,1,0,0|2,0,0]=4 22360 B13R1.553 COC(=O)[C@@H]1CCCN1[C@H](C)CO 269982a_100000752040_100016084084 [0,1,0,1,0,0|2,0,0]=4 22361 B13R1.595 CCC(C)CCCOC1CCC1=O 7a_100011216074_100009892977 [0,1,0,1,0,0|2,0,0]=4 22362 B13R1.595 CCC(C)CNCCC1CCC1=O 2230a_100020588543_200016118888 [0,1,0,1,0,0|2,0,0]=4 22363 B13R1.595 CCC(C)CSCCC1CCC1=O 62a_100000748023_200016118888 [0,1,0,1,0,0|2,0,0]=4 22364 B13R1.595 CCC(C)CSCCC1CCC1=O 62a_200016118888_100000748023 [0,1,0,1,0,0|2,0,0]=4 22365 B13R1.595 CCC(O)CNCCC1CCC1=O 2230a_100011218483_200016118888 [0,1,0,1,0,0|2,0,0]=4 22366 B13R1.595 CCC(O)CSCCC1CCC1=O 62a_100011218378_200016118888 [0,1,0,1,0,0|2,0,0]=4 22367 B13R1.595 CCC(O)CSCCC1CCC1=O 62a_200016118888_100011218378 [0,1,0,1,0,0|2,0,0]=4 22368 B13R1.595 CC[C@H](C)COCCC1CCC1=O 7a_100009816381_200016118888 [0,1,0,1,0,0|2,0,0]=4 22369 B13R1.595 CC[C@H](C)CSCCC1CCC1=O 62a_100009816398_200016118888 [0,1,0,1,0,0|2,0,0]=4 22370 B13R1.595 CC[C@H](C)CSCCC1CCC1=O 62a_200016118888_100009816398 [0,1,0,1,0,0|2,0,0]=4 22371 B13R1.595 COC(=O)CCCCN1CCC1C 269982a_100000755817_100000204269 [0,1,0,1,0,0|0,0,0]=2 22372 B13R1.595 COC(=O)CCCCN1CCC1C 34a_100000755817_100000204269 [0,1,0,1,0,0|0,0,0]=2 22373 B13R1.595 COC(=O)CCCSC1CCC1=O 62a_100009892977_100011218270 [0,1,0,1,0,0|1,0,1]=4 22374 B13R1.595 COC(=O)CCCSC1CCC1=O 62a_100011218270_100009892977 [0,1,0,1,0,0|1,0,1]=4 22375 B13R1.595 COC(=O)COCCN1CCC1C 34a_100000755817_100000090808 [0,1,0,1,0,0|1,0,0]=3 22376 B13R1.595 COC(=O)CSCCC1CCC1=O 62a_100000747449_200016118888 [0,1,0,1,0,0|1,0,1]=4 22377 B13R1.595 COC(=O)CSCCC1CCC1=O 62a_200016118888_100000747449 [0,1,0,1,0,0|1,0,1]=4 22378 B13R1.1703 CCC(=O)CN1CC[C@H]1C(=O)OC 269982a_102516456887_100000747405 [0,1,0,1,0,0|1,0,1]=4 22379 B13R1.1703 CCC(C)CN1CC[C@H]1C(=O)OC 2230a_102516456887_100000748023 [0,1,0,1,0,0|1,0,0]=3 22380 B13R1.1703 CCC(C)CN1CC[C@H]1C(=O)OC 269982a_102516456887_100000748023 [0,1,0,1,0,0|1,0,0]=3 22381 B13R1.1703 CCC(C)CN1CC[C@H]1C(=O)OC 270004a_102516456887_100000243153 [0,1,0,1,0,0|1,0,0]=3 22382 B13R1.1703 CCC(O)CN1CC[C@H]1C(=O)OC 2230a_102516456887_100011218378 [0,1,0,1,0,0|1,0,0]=3 22383 B13R1.1703 CCC(O)CN1CC[C@H]1C(=O)OC 269982a_102516456887_100011218378 [0,1,0,1,0,0|1,0,0]=3 22384 B13R1.1703 CC[C@H](C)CN1CC[C@H]1C(=O)OC 2230a_102516456887_100009816398 [0,1,0,1,0,0|1,0,0]=3 22385 B13R1.1703 CC[C@H](C)CN1CC[C@H]1C(=O)OC 269982a_102516456887_100009816398 [0,1,0,1,0,0|1,0,0]=3 22386 B13R1.1703 COC(=O)[C@@H]1CCN1CC(O)CO 2230a_102516456887_100011219619 [0,1,0,1,0,0|2,0,0]=4 22387 B13R1.1703 COC(=O)[C@@H]1CCN1C[C@@H](C)CO 2230a_102516456887_100000059175 [0,1,0,1,0,0|2,0,0]=4 22388 B13R1.1703 COC(=O)[C@@H]1CCN1C[C@@H](C)CO 269982a_102516456887_100000059175 [0,1,0,1,0,0|2,0,0]=4 22389 B13R1.1703 COC(=O)[C@@H]1CCN1C[C@@H](O)CF 2230a_102516456887_100015614560 [0,1,0,1,0,0|2,0,0]=4 22390 B13R1.1703 COC(=O)[C@@H]1CCN1C[C@@H](O)CO 2230a_102516456887_100009815848 [0,1,0,1,0,0|2,0,0]=4 22391 B13R1.1741 CNC(=O)CCCNCC1(CC1)C 2230a_100000766693_100000741757 [0,1,0,1,0,0|2,0,0]=4 22392 B13R1.1741 CNC(=O)CCCNCC1(CC1)O 2230a_100011936951_100000741757 [0,1,0,1,0,0|2,0,0]=4 22393 B13R1.1741 CNC(=O)CCCOCC1(CC1)C 7a_100000698024_100000741757 [0,1,0,1,0,0|2,0,0]=4 22394 B13R1.1741 CNC(=O)CCCOCC1(CC1)F 34a_200000703853_100000741757 [0,1,0,1,0,0|2,0,0]=4 22395 B13R1.1741 CNC(=O)CCCOCC1(CC1)F 7a_200000703853_100000741757 [0,1,0,1,0,0|2,0,0]=4 22396 B13R1.1741 COC(=O)CCCCNC1(CC1)C 2230a_100000757604_100000204269 [0,1,0,1,0,0|1,0,0]=3 22397 B13R1.1741 COC(=O)CCCCOC1(CC1)C 7a_100011725673_100000204269 [0,1,0,1,0,0|1,0,0]=3 22398 B13R1.1741 COC(=O)CCCNCC1(CC1)C 2230a_100000766693_100011218270 [0,1,0,1,0,0|1,0,0]=3 22399 B13R1.1741 COC(=O)CCCNCC1(CC1)O 2230a_100011936951_100011218270 [0,1,0,1,0,0|1,0,0]=3 22400 B13R1.1741 COC(=O)CCCOCC1(CC1)C 7a_100000698024_100011218270 [0,1,0,1,0,0|1,0,0]=3 22401 B13R1.1741 COC(=O)CCCOCC1(CC1)F 34a_200000703853_100000742333 [0,1,0,1,0,0|1,0,0]=3 22402 B13R1.1741 COC(=O)CCCOCC1(CC1)F 7a_200000703853_100011218270 [0,1,0,1,0,0|1,0,0]=3 22403 B13R1.1741 COC(=O)CCCSCC1(CO1)C 62a_100000760498_100011218270 [0,1,0,1,0,0|2,0,0]=4 22404 B13R1.1741 COC(=O)CCCSCC1(CO1)C 62a_100011218270_100000760498 [0,1,0,1,0,0|2,0,0]=4 22405 B13R1.1741 COC(=O)COCCNC1(CC1)C 2230a_100000757604_100000090808 [0,1,0,1,0,0|2,0,0]=4 22406 B13R1.1741 COC(=O)COCCOC1(CC1)C 7a_100011725673_100000090808 [0,1,0,1,0,0|2,0,0]=4 22407 B13R1.1869 CCC(=O)CN1CCCC(CC1)C 269982a_100025706717_100000747405 [0,1,0,1,0,0|2,0,0]=4 22408 B13R1.1869 CCC(=O)CN1CCCC(CC1)O 269982a_100015186869_100000747405 [0,1,0,1,0,0|2,0,0]=4 22409 B13R1.1869 CNC(=O)CN1CCCC(CC1)C 2230a_100025706717_100000183359 [0,1,0,1,0,0|2,0,0]=4 22410 B13R1.1869 CNC(=O)CN1CCCC(CC1)C 269982a_100025706717_100000183359 [0,1,0,1,0,0|2,0,0]=4 22411 B13R1.1869 CNC(=O)CN1CCCC(CC1)C 34a_100025706717_100000183359 [0,1,0,1,0,0|2,0,0]=4 22412 B13R1.1869 CNC(=O)CN1CCCC(CC1)O 2230a_100015186869_100000183359 [0,1,0,1,0,0|2,0,0]=4 22413 B13R1.1869 CNC(=O)CN1CCCC(CC1)O 269982a_100015186869_100000183359 [0,1,0,1,0,0|2,0,0]=4 22414 B13R1.1869 COC(=O)CN1CCCC(CC1)C 2230a_100025706717_100000747449 [0,1,0,1,0,0|1,0,0]=3 22415 B13R1.1869 COC(=O)CN1CCCC(CC1)C 269982a_100025706717_100000747449 [0,1,0,1,0,0|1,0,0]=3 22416 B13R1.1869 COC(=O)CN1CCCC(CC1)C 34a_100025706717_100000747449 [0,1,0,1,0,0|1,0,0]=3 22417 B13R1.1869 COC(=O)CN1CCCC(CC1)O 2230a_100015186869_100000747449 [0,1,0,1,0,0|1,0,0]=3 22418 B13R1.1869 COC(=O)CN1CCCC(CC1)O 269982a_100015186869_100000747449 [0,1,0,1,0,0|1,0,0]=3 22419 B13R1.1869 COC(=O)CN1CCCN(CC1)C 2230a_100000211313_100000747449 [0,1,0,1,0,0|2,0,0]=4 22420 B13R1.1869 COC(=O)CN1CCCN(CC1)C 269982a_100000211313_100000747449 [0,1,0,1,0,0|2,0,0]=4 22421 B13R1.2063 CNC(=O)CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000741757 [0,1,0,1,0,0|2,0,0]=4 22422 B13R1.2063 CNC(=O)CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000741757 [0,1,0,1,0,0|2,0,0]=4 22423 B13R1.2063 COC(=O)CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011218270 [0,1,0,1,0,0|1,0,0]=3 22424 B13R1.2063 COC(=O)CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011218270 [0,1,0,1,0,0|1,0,0]=3 22425 B13R1.2881 COC(=O)CN1CCC[C@@]1(C)CO 2230a_100016195882_100000747449 [0,1,0,1,0,0|2,0,0]=4 22426 B13R1.2881 COC(=O)CN1CCC[C@@]1(C)CO 269982a_100016195882_100000747449 [0,1,0,1,0,0|2,0,0]=4 22427 B13R1.2881 COC(=O)CN1CCC[C@@]1(C)CO 34a_100016195882_100000747449 [0,1,0,1,0,0|2,0,0]=4 22428 B13R1.128 CC(Br)CCOCC1COC(=O)O1 34a_100009893172_100000073702 [0,1,0,1,0,0|2,0,0]=4 22429 B13R1.128 CC(Br)CCOC[C@H]1COC(=O)N1 34a_100009893172_100015307671 [0,1,0,1,0,0|2,0,0]=4 22430 B13R1.128 CC(C)CCCCN1CNC(=O)C1 2230a_200000708111_100011216152 [0,1,0,1,0,0|2,0,0]=4 22431 B13R1.128 CC(C)CCCNC1CNC(=O)C1 2230a_100000697751_100011214892 [0,1,0,1,0,0|2,0,0]=4 22432 B13R1.128 CC(C)CCCNC1COC(=O)O1 34a_200000737386_100000032252 [0,1,0,1,0,0|2,0,0]=4 22433 B13R1.128 CC(C)CCCOC1CCC(=O)C1 34a_100012614533_100011214892 [0,1,0,1,0,0|2,0,0]=4 22434 B13R1.128 CC(C)CCCOC1CNC(=O)C1 34a_100000690082_100011214892 [0,1,0,1,0,0|2,0,0]=4 22435 B13R1.128 CC(C)CCCOC1COC(=O)O1 34a_100000210774_100000032252 [0,1,0,1,0,0|2,0,0]=4 22436 B13R1.128 CC(C)CCCSC1COC(=O)O1 62a_100011214892_100000032252 [0,1,0,1,0,0|2,0,0]=4 22437 B13R1.128 CC(C)CCNCC1CNC(=O)C1 2230a_100016993742_100000210312 [0,1,0,1,0,0|2,0,0]=4 22438 B13R1.128 CC(C)CCNCC1CNC(=O)C1 269862a_100016993742_100000185833 [0,1,0,1,0,0|2,0,0]=4 22439 B13R1.128 CC(C)CCNCC1CNC(=O)C1 34a_100016993742_100000210312 [0,1,0,1,0,0|2,0,0]=4 22440 B13R1.128 CC(C)CCOCC1CNC(=O)C1 34a_100016041077_100000210312 [0,1,0,1,0,0|2,0,0]=4 22441 B13R1.128 CC(C)CCOCC1COC(=O)O1 34a_100000210254_100000073702 [0,1,0,1,0,0|2,0,0]=4 22442 B13R1.128 CC(C)CCOC[C@H]1COC(=O)N1 34a_100000210254_100015307671 [0,1,0,1,0,0|2,0,0]=4 22443 B13R1.128 CC(C)CCOC[C@H]1COC(=O)N1 7a_100000210254_100015307671 [0,1,0,1,0,0|2,0,0]=4 22444 B13R1.128 CC(C)CCSCC1COC(=O)O1 62a_100000073702_100000210312 [0,1,0,1,0,0|2,0,0]=4 22445 B13R1.128 CC(C)CCSCC1COC(=O)O1 62a_100000210312_100000073702 [0,1,0,1,0,0|2,0,0]=4 22446 B13R1.128 CC(C)CCSC[C@H]1COC(=O)N1 62a_100000210312_100015307671 [0,1,0,1,0,0|2,0,0]=4 22447 B13R1.128 CC(C)CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210312 [0,1,0,1,0,0|2,0,0]=4 22448 B13R1.128 CC(O)CCCNC1CNC(=O)C1 2230a_100000697751_200000718107 [0,1,0,1,0,0|2,0,0]=4 22449 B13R1.128 CC(O)CCCOC1CCC(=O)C1 34a_100012614533_200000718107 [0,1,0,1,0,0|2,0,0]=4 22450 B13R1.128 CC(O)CCCOC1CNC(=O)C1 34a_100000690082_200000718107 [0,1,0,1,0,0|2,0,0]=4 22451 B13R1.128 CC(O)CCCSC1COC(=O)O1 62a_200000718107_100000032252 [0,1,0,1,0,0|2,0,0]=4 22452 B13R1.128 CC(O)CCNCC1CNC(=O)C1 2230a_100016993742_100012276601 [0,1,0,1,0,0|2,0,0]=4 22453 B13R1.128 CC(O)CCNCC1CNC(=O)C1 34a_100016993742_100012276601 [0,1,0,1,0,0|2,0,0]=4 22454 B13R1.128 CC(O)CCNC[C@H]1COC(=O)N1 2230a_200000755665_100015307671 [0,1,0,1,0,0|2,0,0]=4 22455 B13R1.128 CC(O)CCOCC1CNC(=O)C1 34a_100016041077_100012276601 [0,1,0,1,0,0|2,0,0]=4 22456 B13R1.128 CC(O)CCSCC1COC(=O)O1 62a_100000073702_100012276601 [0,1,0,1,0,0|2,0,0]=4 22457 B13R1.128 CC(O)CCSCC1COC(=O)O1 62a_100012276601_100000073702 [0,1,0,1,0,0|2,0,0]=4 22458 B13R1.128 CC(O)CCSC[C@H]1COC(=O)N1 62a_100012276601_100015307671 [0,1,0,1,0,0|2,0,0]=4 22459 B13R1.128 CC(O)CCSC[C@H]1COC(=O)N1 62a_100015307671_100012276601 [0,1,0,1,0,0|2,0,0]=4 22460 B13R1.128 C[C@@H](N)CCOCC1COC(=O)O1 34a_100000706166_100000073702 [0,1,0,1,0,0|2,0,0]=4 22461 B13R1.128 C[C@@H](N)CCOC[C@H]1COC(=O)N1 34a_100000706166_100015307671 [0,1,0,1,0,0|2,0,0]=4 22462 B13R1.150 CC(C)NCC1CCCC(=O)N1C 2230a_200010383782_100000210206 [0,1,0,1,0,0|2,0,0]=4 22463 B13R1.150 CC(C)NCC1CCCC(=O)N1C 34a_200010383782_100000210206 [0,1,0,1,0,0|2,0,0]=4 22464 B13R1.297 CC(C)CCCCOC1CCC1=O 34a_100011214890_100009892977 [0,1,0,1,0,0|2,0,0]=4 22465 B13R1.297 CC(C)CCCCOC1CCC1=O 7a_100011214890_100009892977 [0,1,0,1,0,0|2,0,0]=4 22466 B13R1.297 CC(C)CCCCSC1CCC1=O 62a_100009892977_100011216152 [0,1,0,1,0,0|2,0,0]=4 22467 B13R1.297 CC(C)CCCCSC1CCC1=O 62a_100011216152_100009892977 [0,1,0,1,0,0|2,0,0]=4 22468 B13R1.297 CC(C)CCOCCC1CCC1=O 7a_100000210254_200016118888 [0,1,0,1,0,0|2,0,0]=4 22469 B13R1.297 CC(C)CCSCCC1CCC1=O 62a_100000210312_200016118888 [0,1,0,1,0,0|2,0,0]=4 22470 B13R1.297 CC(C)CCSCCC1CCC1=O 62a_200016118888_100000210312 [0,1,0,1,0,0|2,0,0]=4 22471 B13R1.297 CC(O)CCNCCC1CCC1=O 2230a_200000755665_200016118888 [0,1,0,1,0,0|2,0,0]=4 22472 B13R1.297 CC(O)CCSCCC1CCC1=O 62a_100012276601_200016118888 [0,1,0,1,0,0|2,0,0]=4 22473 B13R1.297 CC(O)CCSCCC1CCC1=O 62a_200016118888_100012276601 [0,1,0,1,0,0|2,0,0]=4 22474 B13R1.513 CC(C)CCNC1CCC(=O)NC1 2230a_100000748762_100000210312 [0,1,0,1,0,0|2,0,0]=4 22475 B13R1.513 CC(C)CCNC1CCC(=O)NC1 269862a_100000748762_100000185833 [0,1,0,1,0,0|2,0,0]=4 22476 B13R1.513 CC(C)CCNC1CCC(=O)NC1 34a_100000748762_100000210312 [0,1,0,1,0,0|2,0,0]=4 22477 B13R1.513 CC(C)CCOC1CCC(=O)CC1 34a_100000764474_100000210312 [0,1,0,1,0,0|2,0,0]=4 22478 B13R1.513 CC(C)CCOC1CCC(=O)CC1 7a_100000764474_100000210626 [0,1,0,1,0,0|2,0,0]=4 22479 B13R1.513 CC(C)CCOC1CCC(=O)NC1 34a_100000079199_100000210312 [0,1,0,1,0,0|2,0,0]=4 22480 B13R1.513 CC(C)COCC1CCC(=O)CC1 34a_100000062911_100000210624 [0,1,0,1,0,0|2,0,0]=4 22481 B13R1.513 CC(O)CCNC1CCC(=O)NC1 2230a_100000748762_100012276601 [0,1,0,1,0,0|2,0,0]=4 22482 B13R1.513 CC(O)CCNC1CCC(=O)NC1 34a_100000748762_100012276601 [0,1,0,1,0,0|2,0,0]=4 22483 B13R1.513 CC(O)CCOC1CCC(=O)CC1 34a_100000764474_100012276601 [0,1,0,1,0,0|2,0,0]=4 22484 B13R1.513 CC(O)CCOC1CCC(=O)CC1 7a_100000764474_100012276601 [0,1,0,1,0,0|2,0,0]=4 22485 B13R1.513 CC(O)CCOC1CCC(=O)NC1 34a_100000079199_100012276601 [0,1,0,1,0,0|2,0,0]=4 22486 B13R1.513 CC(O)COCC1CCC(=O)CC1 34a_100000062911_100011218427 [0,1,0,1,0,0|2,0,0]=4 22487 B13R1.513 C[C@@H](O)COCC1CCC(=O)CC1 34a_100000062911_100009817552 [0,1,0,1,0,0|2,0,0]=4 22488 B13R1.530 C=C1CC(C1)CNCCC(=O)OC 2230a_100102567296_100000204255 [0,1,0,1,0,0|1,0,1]=4 22489 B13R1.530 C=C1CC(C1)CNCCC(=O)OC 34a_100102567296_100000742370 [0,1,0,1,0,0|1,0,1]=4 22490 B13R1.530 C=C1CC(C1)COCCC(=O)OC 34a_100011011225_100000742370 [0,1,0,1,0,0|1,0,1]=4 22491 B13R1.530 C=C1CC(C1)NCCCC(=O)OC 2230a_100132301982_100011218270 [0,1,0,1,0,0|1,0,1]=4 22492 B13R1.530 CNC(=O)CCCNC1CC(C1)F 2230a_100016993743_100000741757 [0,1,0,1,0,0|2,0,0]=4 22493 B13R1.530 CNC(=O)CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000741757 [0,1,0,1,0,0|2,0,0]=4 22494 B13R1.530 CNC(=O)CCNCC1CC(C1)O 2230a_100016992100_100000737683 [0,1,0,1,0,0|2,0,0]=4 22495 B13R1.530 CNC(=O)CCOCC1CC(C1)Cl 34a_100009874164_100012179268 [0,1,0,1,0,0|2,0,0]=4 22496 B13R1.530 COC(=O)CCCCN1CC(C1)C 2230a_100000702820_100000204269 [0,1,0,1,0,0|1,0,0]=3 22497 B13R1.530 COC(=O)CCCCN1CC(C1)C 269982a_100000702820_100000204269 [0,1,0,1,0,0|1,0,0]=3 22498 B13R1.530 COC(=O)CCCCN1CC(C1)C 34a_100000702820_100000204269 [0,1,0,1,0,0|1,0,0]=3 22499 B13R1.530 COC(=O)CCCCN1CC(C1)F 2230a_100000690557_100000204269 [0,1,0,1,0,0|1,0,0]=3 22500 B13R1.530 COC(=O)CCCCN1CC(C1)F 269982a_100000690557_100000204269 [0,1,0,1,0,0|1,0,0]=3 22501 B13R1.530 COC(=O)CCCCN1CC(C1)F 34a_100000690557_100000204269 [0,1,0,1,0,0|1,0,0]=3 22502 B13R1.530 COC(=O)CCCCN1CC(C1)O 269982a_100000749847_100000204269 [0,1,0,1,0,0|1,0,0]=3 22503 B13R1.530 COC(=O)CCCNC1CC(C1)F 2230a_100016993743_100011218270 [0,1,0,1,0,0|1,0,0]=3 22504 B13R1.530 COC(=O)CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011218270 [0,1,0,1,0,0|1,0,0]=3 22505 B13R1.530 COC(=O)CCCSC1CC(=O)C1 62a_100009894365_100011218270 [0,1,0,1,0,0|1,0,1]=4 22506 B13R1.530 COC(=O)CCNCC1CC(C1)O 2230a_100016992100_100000204255 [0,1,0,1,0,0|1,0,0]=3 22507 B13R1.530 COC(=O)CCOCC1CC(=O)C1 34a_100000101936_100000742370 [0,1,0,1,0,0|1,0,1]=4 22508 B13R1.530 COC(=O)CCOCC1CC(C1)Cl 34a_100009874164_100000742370 [0,1,0,1,0,0|1,0,0]=3 22509 B13R1.530 COC(=O)CCSCC1CC(=O)C1 62a_100000204255_100009874392 [0,1,0,1,0,0|1,0,1]=4 22510 B13R1.530 COC(=O)CCSCC1CC(=O)C1 62a_100009874392_100000204255 [0,1,0,1,0,0|1,0,1]=4 22511 B13R1.530 COC(=O)COCCN1CC(C1)C 2230a_100000702820_100000090808 [0,1,0,1,0,0|2,0,0]=4 22512 B13R1.530 COC(=O)COCCN1CC(C1)C 34a_100000702820_100000090808 [0,1,0,1,0,0|2,0,0]=4 22513 B13R1.530 COC(=O)COCCN1CC(C1)F 2230a_100000690557_100000090808 [0,1,0,1,0,0|2,0,0]=4 22514 B13R1.530 COC(=O)COCCN1CC(C1)F 34a_100000690557_100000090808 [0,1,0,1,0,0|2,0,0]=4 22515 B13R1.547 CCC(=O)C1CCCCN1C(C)C 1458a_100000755935_100000210202 [0,1,0,1,0,0|2,0,0]=4 22516 B13R1.547 CCC(=O)N1CCCCC1C(C)C 11a_100000757267_100000210414 [0,1,0,1,0,0|2,0,0]=4 22517 B13R1.547 CCC(=O)N1CCCCC1C(C)C 1626a_100000757267_100000210414 [0,1,0,1,0,0|2,0,0]=4 22518 B13R1.547 CCC(=O)N1CCCCC1C(C)C 240690a_100000757267_100000210414 [0,1,0,1,0,0|2,0,0]=4 22519 B13R1.547 CNC(=O)C1CCCCN1C(C)C 2230a_100011209383_100000210206 [0,1,0,1,0,0|2,0,0]=4 22520 B13R1.547 CNC(=O)C1CCCCN1C(C)C 240690a_100102657272_100000755935 [0,1,0,1,0,0|2,0,0]=4 22521 B13R1.547 CNC(=O)C1CCCCN1C(C)C 269982a_100011209383_100000210206 [0,1,0,1,0,0|2,0,0]=4 22522 B13R1.547 CNC(=O)C1CCCCN1C(C)C 34a_100011209383_100000210206 [0,1,0,1,0,0|2,0,0]=4 22523 B13R1.547 CNC(=O)C1CCCCN1C(C)C 527a_100102657272_100000755935 [0,1,0,1,0,0|2,0,0]=4 22524 B13R1.547 CNC(=O)N1CCCCC1C(C)C 2708a_100102657272_100000757267 [0,1,0,1,0,0|2,0,0]=4 22525 B13R1.547 CNC(=O)N1CCCCC1C(C)C 273464a_100102657272_100000757267 [0,1,0,1,0,0|2,0,0]=4 22526 B13R1.547 COC(=O)C1CCCCN1C(=O)C 11a_100000734855_100015343762 [0,1,0,1,0,0|1,0,1]=4 22527 B13R1.547 COC(=O)C1CCCCN1C(=O)C 1626a_100000734855_100015343762 [0,1,0,1,0,0|1,0,1]=4 22528 B13R1.547 COC(=O)C1CCCCN1C(=O)C 240690a_100000734855_100015343762 [0,1,0,1,0,0|1,0,1]=4 22529 B13R1.547 COC(=O)C1CCCCN1C(=O)C 527a_100000734855_100103153847 [0,1,0,1,0,0|1,0,1]=4 22530 B13R1.547 COC(=O)C1CCCCN1C(C)C 2230a_100000734855_100000210206 [0,1,0,1,0,0|1,0,0]=3 22531 B13R1.547 COC(=O)C1CCCCN1C(C)C 269982a_100000734855_100000210206 [0,1,0,1,0,0|1,0,0]=3 22532 B13R1.547 COC(=O)C1CCCCN1C(C)C 34a_100000734855_100000210206 [0,1,0,1,0,0|1,0,0]=3 22533 B13R1.547 COC(=O)C1COCCN1C(C)C 2230a_100000765174_100000210206 [0,1,0,1,0,0|2,0,0]=4 22534 B13R1.547 COC(=O)C1COCCN1C(C)C 34a_100000765174_100000210206 [0,1,0,1,0,0|2,0,0]=4 22535 B13R1.547 COC(=O)N1CCCCC1C(=O)C 1458a_100000236124_200000210301 [0,1,0,1,0,0|1,0,1]=4 22536 B13R1.547 COC(=O)N1CCCCC1C(=O)[13CH3] 1458a_100000236124_200025704644 [0,1,0,1,0,0|1,0,1]=4 22537 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)C 1458a_100009817520_200000210301 [0,1,0,1,0,0|0,0,1]=3 22538 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)[13CH3] 1458a_100009817520_200025704644 [0,1,0,1,0,0|0,0,1]=3 22539 B13R1.551 C=C(C)CN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000748629 [0,1,0,1,0,0|1,0,1]=4 22540 B13R1.551 C=C(C)CN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000748629 [0,1,0,1,0,0|1,0,1]=4 22541 B13R1.551 CCC(=O)C1CCCN1CC(C)C 1458a_100000737922_100000210202 [0,1,0,1,0,0|2,0,0]=4 22542 B13R1.551 CCC(=O)N1CCCC1CC(C)C 11a_100000748429_100000210414 [0,1,0,1,0,0|2,0,0]=4 22543 B13R1.551 CCC(=O)N1CCCC1CC(C)C 1626a_100000748429_100000210414 [0,1,0,1,0,0|2,0,0]=4 22544 B13R1.551 CCC(=O)N1CCCC1CC(C)C 240690a_100000748429_100000210414 [0,1,0,1,0,0|2,0,0]=4 22545 B13R1.551 CCC(=O)N1CCCC1CC(C)C 527a_100000748429_100000210414 [0,1,0,1,0,0|2,0,0]=4 22546 B13R1.551 CNC(=O)C1CCCN1CC(C)C 240690a_100102657272_100000737922 [0,1,0,1,0,0|2,0,0]=4 22547 B13R1.551 CNC(=O)N1CCCC1CC(C)C 2708a_100102657272_100000748429 [0,1,0,1,0,0|2,0,0]=4 22548 B13R1.551 CNC(=O)N1CCCC1CC(C)C 273464a_100102657272_100000748429 [0,1,0,1,0,0|2,0,0]=4 22549 B13R1.551 CNC(=O)[C@@H]1CCCN1CC(C)C 2230a_100015185040_100000210760 [0,1,0,1,0,0|2,0,0]=4 22550 B13R1.551 CNC(=O)[C@@H]1CCCN1CC(C)C 269982a_100015185040_100000210624 [0,1,0,1,0,0|2,0,0]=4 22551 B13R1.551 CNC(=O)[C@@H]1CCCN1CC(C)C 270004a_100015185040_100000210432 [0,1,0,1,0,0|2,0,0]=4 22552 B13R1.551 CNC(=O)[C@@H]1CCCN1CC(C)C 34a_100015185040_100000210624 [0,1,0,1,0,0|2,0,0]=4 22553 B13R1.551 CNC(=O)[C@@H]1CCCN1CC(C)O 2230a_100015185040_100011218427 [0,1,0,1,0,0|2,0,0]=4 22554 B13R1.551 CNC(=O)[C@@H]1CCCN1CC(C)O 269982a_100015185040_100011218427 [0,1,0,1,0,0|2,0,0]=4 22555 B13R1.551 CNC(=O)[C@@H]1CCCN1CC(C)O 34a_100015185040_100011218427 [0,1,0,1,0,0|2,0,0]=4 22556 B13R1.551 CNC(=O)[C@@H]1CCCN1C[C@@H](C)O 2230a_100015185040_100009817552 [0,1,0,1,0,0|2,0,0]=4 22557 B13R1.551 CNC(=O)[C@@H]1CCCN1C[C@@H](C)O 269982a_100015185040_100009817552 [0,1,0,1,0,0|2,0,0]=4 22558 B13R1.551 CNC(=O)[C@@H]1CCCN1C[C@@H](C)O 34a_100015185040_100009817552 [0,1,0,1,0,0|2,0,0]=4 22559 B13R1.551 COC(=O)C1CCCC1OC(C)C 34a_200000081814_100000210206 [0,1,0,1,0,0|1,0,0]=3 22560 B13R1.551 COC(=O)C1CCCC1OC(C)C 7a_200000081814_100000210206 [0,1,0,1,0,0|1,0,0]=3 22561 B13R1.551 COC(=O)C1CSCN1CC(C)C 269982a_200000724679_100000210624 [0,1,0,1,0,0|2,0,0]=4 22562 B13R1.551 COC(=O)C1CSCN1CC(C)C 270004a_200000724679_100000210432 [0,1,0,1,0,0|2,0,0]=4 22563 B13R1.551 COC(=O)C1CSCN1CC(C)O 269982a_200000724679_100011218427 [0,1,0,1,0,0|2,0,0]=4 22564 B13R1.551 COC(=O)C1CSCN1C[C@@H](C)O 269982a_200000724679_100009817552 [0,1,0,1,0,0|2,0,0]=4 22565 B13R1.551 COC(=O)C1SCCN1CC(C)C 2230a_100015296106_100000210760 [0,1,0,1,0,0|2,0,0]=4 22566 B13R1.551 COC(=O)C1SCCN1CC(C)C 269982a_100015296106_100000210624 [0,1,0,1,0,0|2,0,0]=4 22567 B13R1.551 COC(=O)C1SCCN1CC(C)C 270004a_100015296106_100000210432 [0,1,0,1,0,0|2,0,0]=4 22568 B13R1.551 COC(=O)C1SCCN1CC(C)O 2230a_100015296106_100011218427 [0,1,0,1,0,0|2,0,0]=4 22569 B13R1.551 COC(=O)C1SCCN1CC(C)O 269982a_100015296106_100011218427 [0,1,0,1,0,0|2,0,0]=4 22570 B13R1.551 COC(=O)C1SCCN1C[C@@H](C)O 2230a_100015296106_100009817552 [0,1,0,1,0,0|2,0,0]=4 22571 B13R1.551 COC(=O)C1SCCN1C[C@@H](C)O 269982a_100015296106_100009817552 [0,1,0,1,0,0|2,0,0]=4 22572 B13R1.551 COC(=O)[C@@H]1CCCN1CC(C)C 2230a_100000752040_100000210760 [0,1,0,1,0,0|1,0,0]=3 22573 B13R1.551 COC(=O)[C@@H]1CCCN1CC(C)C 269982a_100000752040_100000210624 [0,1,0,1,0,0|1,0,0]=3 22574 B13R1.551 COC(=O)[C@@H]1CCCN1CC(C)C 270004a_100000752040_100000210432 [0,1,0,1,0,0|1,0,0]=3 22575 B13R1.551 COC(=O)[C@@H]1CCCN1CC(C)O 2230a_100000752040_100011218427 [0,1,0,1,0,0|1,0,0]=3 22576 B13R1.551 COC(=O)[C@@H]1CCCN1CC(C)O 269982a_100000752040_100011218427 [0,1,0,1,0,0|1,0,0]=3 22577 B13R1.551 COC(=O)[C@@H]1CCCN1CC(F)F 2230a_100000752040_100011934356 [0,1,0,1,0,0|2,0,0]=4 22578 B13R1.551 COC(=O)[C@@H]1CCCN1CC(F)F 269982a_100000752040_100011934356 [0,1,0,1,0,0|2,0,0]=4 22579 B13R1.551 COC(=O)[C@@H]1CCCN1C[C@@H](C)O 2230a_100000752040_100009817552 [0,1,0,1,0,0|1,0,0]=3 22580 B13R1.551 COC(=O)[C@@H]1CCCN1C[C@@H](C)O 269982a_100000752040_100009817552 [0,1,0,1,0,0|1,0,0]=3 22581 B13R1.594 CCC(=O)NCCNCCC1CC1 34a_100132302217_100000694398 [0,1,0,1,0,0|2,0,0]=4 22582 B13R1.594 CCC(=O)NCCOCCC1CC1 34a_200000158885_100000694398 [0,1,0,1,0,0|2,0,0]=4 22583 B13R1.594 CCC(=O)NCCOCCC1CC1 7a_200000158885_100000764125 [0,1,0,1,0,0|2,0,0]=4 22584 B13R1.594 CCC(=O)OCCOCCC1CC1 7a_200000031056_100000764125 [0,1,0,1,0,0|2,0,0]=4 22585 B13R1.594 CNC(=O)CCCNCCC1CC1 2230a_100000740002_100000694398 [0,1,0,1,0,0|1,0,0]=3 22586 B13R1.594 CNC(=O)CCCNCCC1CC1 34a_100000740002_100000694398 [0,1,0,1,0,0|1,0,0]=3 22587 B13R1.594 CNC(=O)CCCNCCC1CC1 34a_100000764129_100000741757 [0,1,0,1,0,0|1,0,0]=3 22588 B13R1.594 CNC(=O)CCCNCCC1CO1 2230a_100000740002_100000732470 [0,1,0,1,0,0|2,0,0]=4 22589 B13R1.594 CNC(=O)CCCNCCC1CO1 34a_100000740002_100000732470 [0,1,0,1,0,0|2,0,0]=4 22590 B13R1.594 CNC(=O)CCCOCCC1CC1 34a_100000754188_100000741757 [0,1,0,1,0,0|1,0,0]=3 22591 B13R1.594 CNC(=O)CCCOCCC1CC1 7a_100000754188_100000741757 [0,1,0,1,0,0|1,0,0]=3 22592 B13R1.594 CNC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000741757 [0,1,0,1,0,0|2,0,0]=4 22593 B13R1.594 CNC(=O)CCCSCCC1CC1 62a_100000741757_100000764125 [0,1,0,1,0,0|1,0,0]=3 22594 B13R1.594 CNC(=O)CCCSCCC1CC1 62a_100000764125_100000741757 [0,1,0,1,0,0|1,0,0]=3 22595 B13R1.594 CNC(=O)CCCSCCC1CO1 62a_100000732470_100000741757 [0,1,0,1,0,0|2,0,0]=4 22596 B13R1.594 CNC(=O)CCCSCCC1CO1 62a_100000741757_100000732470 [0,1,0,1,0,0|2,0,0]=4 22597 B13R1.594 CNC(=O)CCNCCCC1CO1 2230a_100000738227_100000733510 [0,1,0,1,0,0|2,0,0]=4 22598 B13R1.594 CNC(=O)CCNCCCC1CO1 34a_100000738227_100000733510 [0,1,0,1,0,0|2,0,0]=4 22599 B13R1.594 CNC(=O)CCOCCCC1CO1 34a_100000754576_100000733510 [0,1,0,1,0,0|2,0,0]=4 22600 B13R1.594 CNC(=O)CCOCCNC1CC1 34a_100000738766_100012179268 [0,1,0,1,0,0|2,0,0]=4 22601 B13R1.594 CNC(=O)CCSCCCC1CO1 62a_100000733510_100000737683 [0,1,0,1,0,0|2,0,0]=4 22602 B13R1.594 CNC(=O)CCSCCCC1CO1 62a_100000737683_100000733510 [0,1,0,1,0,0|2,0,0]=4 22603 B13R1.594 CNC(=O)NCCNCCC1CC1 34a_100015205895_100000694398 [0,1,0,1,0,0|2,0,0]=4 22604 B13R1.594 CNC(=O)OCCNCCC1CC1 34a_100000764129_200011997002 [0,1,0,1,0,0|2,0,0]=4 22605 B13R1.594 CNC(=O)OCCOCCC1CC1 34a_100000754188_200011997002 [0,1,0,1,0,0|2,0,0]=4 22606 B13R1.594 CNC(=O)OCCOCCC1CC1 7a_100000754188_200011997002 [0,1,0,1,0,0|2,0,0]=4 22607 B13R1.594 CNC(=O)OCCSCCC1CC1 62a_100000764125_200011997002 [0,1,0,1,0,0|2,0,0]=4 22608 B13R1.594 CNC(=O)OCCSCCC1CC1 62a_200011997002_100000764125 [0,1,0,1,0,0|2,0,0]=4 22609 B13R1.594 COC(=O)/C=C/CNCCC1CC1 34a_100000764129_100000742655 [0,1,0,1,0,0|0,0,2]=4 22610 B13R1.594 COC(=O)/C=C/COCCC1CC1 34a_100000754188_100000742655 [0,1,0,1,0,0|0,0,2]=4 22611 B13R1.594 COC(=O)/C=C/COCCC1CC1 7a_100000754188_100000742655 [0,1,0,1,0,0|0,0,2]=4 22612 B13R1.594 COC(=O)/C=C/CSCCC1CC1 62a_100000742655_100000764125 [0,1,0,1,0,0|0,0,2]=4 22613 B13R1.594 COC(=O)/C=C/CSCCC1CC1 62a_100000764125_100000742655 [0,1,0,1,0,0|0,0,2]=4 22614 B13R1.594 COC(=O)CCC=NNCC1CC1 4a_100000736359_100012047195 [0,1,0,1,0,0|1,0,1]=4 22615 B13R1.594 COC(=O)CCCC=NNC1CC1 4a_100000701032_100000094087 [0,1,0,1,0,0|1,0,1]=4 22616 B13R1.594 COC(=O)CCCCCNC1CC1 34a_100000212008_100009816466 [0,1,0,1,0,0|0,0,0]=2 22617 B13R1.594 COC(=O)CCCCCOC1CC1 34a_100000074720_100000211595 [0,1,0,1,0,0|0,0,0]=2 22618 B13R1.594 COC(=O)CCCCCSC1CC1 62a_100009816466_100000211595 [0,1,0,1,0,0|0,0,0]=2 22619 B13R1.594 COC(=O)CCCCNCC1CC1 2230a_100000735609_100000204269 [0,1,0,1,0,0|0,0,0]=2 22620 B13R1.594 COC(=O)CCCCNCC1CC1 34a_100000735609_100000204269 [0,1,0,1,0,0|0,0,0]=2 22621 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000059025_100000742324 [0,1,0,1,0,0|0,0,0]=2 22622 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000211283_100000204269 [0,1,0,1,0,0|0,0,0]=2 22623 B13R1.594 COC(=O)CCCCOCC1CC1 7a_100000059025_100000742324 [0,1,0,1,0,0|0,0,0]=2 22624 B13R1.594 COC(=O)CCCCOCC1CO1 34a_100000059025_102125554688 [0,1,0,1,0,0|1,0,0]=3 22625 B13R1.594 COC(=O)CCCCOCC1CO1 7a_100000059025_102125554688 [0,1,0,1,0,0|1,0,0]=3 22626 B13R1.594 COC(=O)CCCCOCC1CS1 7a_100000059025_100000031435 [0,1,0,1,0,0|1,0,0]=3 22627 B13R1.594 COC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100000204269 [0,1,0,1,0,0|1,0,0]=3 22628 B13R1.594 COC(=O)CCCCOC[C@@H]1CO1 7a_100000059025_100000745022 [0,1,0,1,0,0|1,0,0]=3 22629 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000204269_100000742324 [0,1,0,1,0,0|0,0,0]=2 22630 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000756562_100000204269 [0,1,0,1,0,0|0,0,0]=2 22631 B13R1.594 COC(=O)CCCCSCC1CO1 62a_100000204269_102125554688 [0,1,0,1,0,0|1,0,0]=3 22632 B13R1.594 COC(=O)CCCCSCC1CO1 62a_102125554688_100000204269 [0,1,0,1,0,0|1,0,0]=3 22633 B13R1.594 COC(=O)CCCCSCC1CS1 62a_100000031435_100000204269 [0,1,0,1,0,0|1,0,0]=3 22634 B13R1.594 COC(=O)CCCCSCC1CS1 62a_100000204269_100000031435 [0,1,0,1,0,0|1,0,0]=3 22635 B13R1.594 COC(=O)CCCCSC[C@@H]1CO1 62a_100000204269_100000745022 [0,1,0,1,0,0|1,0,0]=3 22636 B13R1.594 COC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000204269 [0,1,0,1,0,0|1,0,0]=3 22637 B13R1.594 COC(=O)CCCNCCC1CC1 34a_100000764129_100000742333 [0,1,0,1,0,0|0,0,0]=2 22638 B13R1.594 COC(=O)CCCOCCC1CC1 34a_100000754188_100000742333 [0,1,0,1,0,0|0,0,0]=2 22639 B13R1.594 COC(=O)CCCOCCC1CC1 7a_100000754188_100011218270 [0,1,0,1,0,0|0,0,0]=2 22640 B13R1.594 COC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000742333 [0,1,0,1,0,0|1,0,0]=3 22641 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100000764125_100011218270 [0,1,0,1,0,0|0,0,0]=2 22642 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100011218270_100000764125 [0,1,0,1,0,0|0,0,0]=2 22643 B13R1.594 COC(=O)CCCSCCC1CO1 62a_100000732470_100011218270 [0,1,0,1,0,0|1,0,0]=3 22644 B13R1.594 COC(=O)CCCSCCC1CO1 62a_100011218270_100000732470 [0,1,0,1,0,0|1,0,0]=3 22645 B13R1.594 COC(=O)CCOCC#CC1CC1 34a_100000083941_100000742370 [0,1,0,1,0,0|0,0,2]=4 22646 B13R1.594 COC(=O)CCOCC#CC1CC1 7a_100000083941_100000204255 [0,1,0,1,0,0|0,0,2]=4 22647 B13R1.594 COC(=O)CCOCCNC1CC1 34a_100000738766_100000742370 [0,1,0,1,0,0|1,0,0]=3 22648 B13R1.594 COC(=O)CCSCC#CC1CC1 62a_100000204255_100009895102 [0,1,0,1,0,0|0,0,2]=4 22649 B13R1.594 COC(=O)CCSCC#CC1CC1 62a_100009895102_100000204255 [0,1,0,1,0,0|0,0,2]=4 22650 B13R1.594 COC(=O)CCSCCCC1CO1 62a_100000204255_100000733510 [0,1,0,1,0,0|1,0,0]=3 22651 B13R1.594 COC(=O)CCSCCCC1CO1 62a_100000733510_100000204255 [0,1,0,1,0,0|1,0,0]=3 22652 B13R1.594 COC(=O)COCCNCC1CC1 2230a_100000735609_100000090808 [0,1,0,1,0,0|1,0,0]=3 22653 B13R1.594 COC(=O)COCCNCC1CC1 34a_100000735609_100000090808 [0,1,0,1,0,0|1,0,0]=3 22654 B13R1.594 COC(=O)COCCOCC1CC1 34a_100000211283_100000090808 [0,1,0,1,0,0|1,0,0]=3 22655 B13R1.594 COC(=O)COCCOC[C@@H]1CO1 34a_100000757423_100000090808 [0,1,0,1,0,0|2,0,0]=4 22656 B13R1.594 COC(=O)COCCSCC1CC1 62a_100000090808_100000742324 [0,1,0,1,0,0|1,0,0]=3 22657 B13R1.594 COC(=O)COCCSCC1CC1 62a_100000756562_100000090808 [0,1,0,1,0,0|1,0,0]=3 22658 B13R1.594 COC(=O)COCCSCC1CO1 62a_100000090808_102125554688 [0,1,0,1,0,0|2,0,0]=4 22659 B13R1.594 COC(=O)COCCSCC1CO1 62a_102125554688_100000090808 [0,1,0,1,0,0|2,0,0]=4 22660 B13R1.594 COC(=O)COCCSCC1CS1 62a_100000031435_100000090808 [0,1,0,1,0,0|2,0,0]=4 22661 B13R1.594 COC(=O)COCCSCC1CS1 62a_100000090808_100000031435 [0,1,0,1,0,0|2,0,0]=4 22662 B13R1.594 COC(=O)COCCSC[C@@H]1CO1 62a_100000090808_100000745022 [0,1,0,1,0,0|2,0,0]=4 22663 B13R1.594 COC(=O)COCCSC[C@@H]1CO1 62a_100000745022_100000090808 [0,1,0,1,0,0|2,0,0]=4 22664 B13R1.594 COC(=O)NCCOCCC1CC1 34a_100000757965_100000694398 [0,1,0,1,0,0|1,0,0]=3 22665 B13R1.594 COC(=O)NCCOCCC1CO1 34a_100000757965_100000732470 [0,1,0,1,0,0|2,0,0]=4 22666 B13R1.594 COC(=O)OCCOCCC1CC1 34a_100010262106_100000694398 [0,1,0,1,0,0|1,0,0]=3 22667 B13R1.594 COC(=O)OCCOCCC1CO1 34a_100010262106_100000732470 [0,1,0,1,0,0|2,0,0]=4 22668 B13R1.594 COC(=O)OCSCCCC1CO1 62a_100000733510_100000139417 [0,1,0,1,0,0|2,0,0]=4 22669 B13R1.594 NNC(=O)CCCOCCC1CC1 34a_100000211488_100000694398 [0,1,0,1,0,0|2,0,0]=4 22670 B13R1.598 CCC(=O)COC1CCCC1(C)C 7a_100000726220_100000747405 [0,1,0,1,0,0|2,0,0]=4 22671 B13R1.598 CNC(=O)CCN1CCCC1(C)C 2230a_100000761399_100000737683 [0,1,0,1,0,0|2,0,0]=4 22672 B13R1.598 CNC(=O)CCN1CCCC1(C)C 269982a_100000761399_100000737683 [0,1,0,1,0,0|2,0,0]=4 22673 B13R1.598 CNC(=O)CCN1CCCC1(C)C 34a_100000761399_100012179268 [0,1,0,1,0,0|2,0,0]=4 22674 B13R1.598 CNC(=O)CNC1CCCC1(C)C 269862a_100000693194_100000065263 [0,1,0,1,0,0|2,0,0]=4 22675 B13R1.598 CNC(=O)CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000183359 [0,1,0,1,0,0|2,0,0]=4 22676 B13R1.598 CNC(=O)CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000183359 [0,1,0,1,0,0|2,0,0]=4 22677 B13R1.598 CNC(=O)COC1CCCC1(C)C 34a_100000726220_100000183359 [0,1,0,1,0,0|2,0,0]=4 22678 B13R1.598 CNC(=O)COC1CCCC1(C)C 7a_100000726220_100000183359 [0,1,0,1,0,0|2,0,0]=4 22679 B13R1.598 COC(=O)CCN1CCCC1(C)C 2230a_100000761399_100000204255 [0,1,0,1,0,0|1,0,0]=3 22680 B13R1.598 COC(=O)CCN1CCCC1(C)C 269982a_100000761399_100000204255 [0,1,0,1,0,0|1,0,0]=3 22681 B13R1.598 COC(=O)CCN1CCCC1(C)C 34a_100000761399_100000742370 [0,1,0,1,0,0|1,0,0]=3 22682 B13R1.598 COC(=O)CCN1CCSC1(C)C 2230a_100011217261_100000204255 [0,1,0,1,0,0|2,0,0]=4 22683 B13R1.598 COC(=O)CCN1CCSC1(C)C 269982a_100011217261_100000204255 [0,1,0,1,0,0|2,0,0]=4 22684 B13R1.598 COC(=O)CCN1CCSC1(C)C 34a_100011217261_100000742370 [0,1,0,1,0,0|2,0,0]=4 22685 B13R1.598 COC(=O)CCN1COCC1(C)C 2230a_100000043020_100000204255 [0,1,0,1,0,0|2,0,0]=4 22686 B13R1.598 COC(=O)CCN1COCC1(C)C 269982a_100000043020_100000204255 [0,1,0,1,0,0|2,0,0]=4 22687 B13R1.598 COC(=O)CNC1CCCC1(F)F 2230a_100000767123_100000747449 [0,1,0,1,0,0|2,0,0]=4 22688 B13R1.598 COC(=O)CNC1CCCC1(F)F 34a_100000767123_100000747449 [0,1,0,1,0,0|2,0,0]=4 22689 B13R1.598 COC(=O)CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000747449 [0,1,0,1,0,0|1,0,0]=3 22690 B13R1.598 COC(=O)CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000747449 [0,1,0,1,0,0|1,0,0]=3 22691 B13R1.598 COC(=O)COC1CCCC1(C)C 34a_100000726220_100000747449 [0,1,0,1,0,0|1,0,0]=3 22692 B13R1.598 COC(=O)COC1CCCC1(C)C 7a_100000726220_100000747449 [0,1,0,1,0,0|1,0,0]=3 22693 B13R1.598 COC(=O)CSC1CCCC1(F)F 62a_100000747449_100119073726 [0,1,0,1,0,0|2,0,0]=4 22694 B13R1.598 COC(=O)CSC1CCCC1(F)F 62a_100119073726_100000747449 [0,1,0,1,0,0|2,0,0]=4 22695 B13R1.1684 COC(=O)C1CN1CCCC(C)C 2230a_200009830135_100011214892 [0,1,0,1,0,0|1,0,0]=3 22696 B13R1.1684 COC(=O)C1CN1CCCC(C)O 2230a_200009830135_200000718107 [0,1,0,1,0,0|1,0,0]=3 22697 B13R1.1684 COC(=O)C1CN1CCOC(C)C 2230a_200009830135_100000211751 [0,1,0,1,0,0|2,0,0]=4 22698 B13R1.1684 COC(=O)C1CN1CCSC(C)C 2230a_200009830135_100000730970 [0,1,0,1,0,0|2,0,0]=4 22699 B13R1.1803 C=C(C)CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000730704 [0,1,0,1,0,0|1,0,1]=4 22700 B13R1.1803 C=C(C)CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000730704 [0,1,0,1,0,0|1,0,1]=4 22701 B13R1.1803 COC(=O)[C@@H]1CCN1CCC(=O)C 269982a_102516456887_100000053229 [0,1,0,1,0,0|1,0,1]=4 22702 B13R1.1803 COC(=O)[C@@H]1CCN1CCC(C)C 2230a_102516456887_100000210312 [0,1,0,1,0,0|1,0,0]=3 22703 B13R1.1803 COC(=O)[C@@H]1CCN1CCC(C)C 269982a_102516456887_100000210312 [0,1,0,1,0,0|1,0,0]=3 22704 B13R1.1803 COC(=O)[C@@H]1CCN1CCC(C)O 2230a_102516456887_100012276601 [0,1,0,1,0,0|1,0,0]=3 22705 B13R1.1803 COC(=O)[C@@H]1CCN1CCC(C)O 269982a_102516456887_100012276601 [0,1,0,1,0,0|1,0,0]=3 22706 B13R1.1803 COC(=O)[C@@H]1CCN1CCN(C)C 269982a_102516456887_100000755713 [0,1,0,1,0,0|2,0,0]=4 22707 B13R1.1803 COC(=O)[C@@H]1CCN1COC(C)C 2230a_102516456887_100000709892 [0,1,0,1,0,0|2,0,0]=4 22708 B13R1.1803 COC(=O)[C@@H]1CCN1COC(C)C 269982a_102516456887_100000709892 [0,1,0,1,0,0|2,0,0]=4 22709 B13R1.2030 CNC(=O)CCOCC1CC1(C)C 34a_100000728257_100012179268 [0,1,0,1,0,0|2,0,0]=4 22710 B13R1.2030 CNC(=O)CCOCC1CC1(C)C 7a_100000728257_100000737683 [0,1,0,1,0,0|2,0,0]=4 22711 B13R1.2030 COC(=O)CCCNC1CC1(F)F 2230a_100020610826_100011218270 [0,1,0,1,0,0|2,0,0]=4 22712 B13R1.2030 COC(=O)CCCNC1CC1(F)F 34a_100020610826_100000742333 [0,1,0,1,0,0|2,0,0]=4 22713 B13R1.2030 COC(=O)CCOCC1CC1(C)C 34a_100000728257_100000742370 [0,1,0,1,0,0|1,0,0]=3 22714 B13R1.2030 COC(=O)CCOCC1CC1(C)C 7a_100000728257_100000204255 [0,1,0,1,0,0|1,0,0]=3 22715 B13R1.2030 COC(=O)CCOCC1CC1(F)F 34a_100000056500_100000742370 [0,1,0,1,0,0|2,0,0]=4 22716 B13R1.2030 COC(=O)CCOCC1CC1(F)F 7a_100000056500_100000204255 [0,1,0,1,0,0|2,0,0]=4 22717 B13R1.2030 COC(=O)CCOCC1OC1(C)C 34a_200010283642_100000742370 [0,1,0,1,0,0|2,0,0]=4 22718 B13R1.2030 COC(=O)CCOCC1OC1(C)C 7a_200010283642_100000204255 [0,1,0,1,0,0|2,0,0]=4 22719 B13R1.2030 COC(=O)CCSCC1CC1(F)F 62a_100000204255_100009817841 [0,1,0,1,0,0|2,0,0]=4 22720 B13R1.2030 COC(=O)CCSCC1CC1(F)F 62a_100009817841_100000204255 [0,1,0,1,0,0|2,0,0]=4 22721 B13R1.2030 COC(=O)COCCC1CC1(F)F 34a_100009864177_100000747449 [0,1,0,1,0,0|2,0,0]=4 22722 B13R1.2030 COC(=O)COCCC1CC1(F)F 7a_100009864177_100000747449 [0,1,0,1,0,0|2,0,0]=4 22723 B13R1.2878 COC(=O)CN1CCOCC1(C)C 2230a_100000724681_100000747449 [0,1,0,1,0,0|2,0,0]=4 22724 B13R1.2878 COC(=O)CN1CCOCC1(C)C 269982a_100000724681_100000747449 [0,1,0,1,0,0|2,0,0]=4 22725 B13R1.2878 COC(=O)CN1CCOCC1(C)C 34a_100000724681_100000747449 [0,1,0,1,0,0|2,0,0]=4 22726 B13R1.2880 CCC(=O)CN1CCCC1C(C)C 269982a_100000762757_100000747405 [0,1,0,1,0,0|2,0,0]=4 22727 B13R1.2880 CNC(=O)CN1CCCC1C(C)C 2230a_100000762757_100000183359 [0,1,0,1,0,0|2,0,0]=4 22728 B13R1.2880 CNC(=O)CN1CCCC1C(C)C 269982a_100000762757_100000183359 [0,1,0,1,0,0|2,0,0]=4 22729 B13R1.2880 CNC(=O)CN1CCCC1C(C)C 34a_100000762757_100000183359 [0,1,0,1,0,0|2,0,0]=4 22730 B13R1.2880 COC(=O)CN1CCCC1C(C)C 2230a_100000762757_100000747449 [0,1,0,1,0,0|1,0,0]=3 22731 B13R1.2880 COC(=O)CN1CCCC1C(C)C 269982a_100000762757_100000747449 [0,1,0,1,0,0|1,0,0]=3 22732 B13R1.2880 COC(=O)CN1CCCC1C(C)C 34a_100000762757_100000747449 [0,1,0,1,0,0|1,0,0]=3 22733 B13R1.2880 COC(=O)C[C@H]1CCCN1C(=O)C 11a_100025726698_100015343762 [0,1,0,1,0,0|1,0,1]=4 22734 B13R1.2880 COC(=O)C[C@H]1CCCN1C(=O)C 1626a_100025726698_100015343762 [0,1,0,1,0,0|1,0,1]=4 22735 B13R1.2880 COC(=O)C[C@H]1CCCN1C(=O)C 240690a_100025726698_100015343762 [0,1,0,1,0,0|1,0,1]=4 22736 B13R1.2880 COC(=O)C[C@H]1CCCN1C(=O)C 527a_100025726698_100103153847 [0,1,0,1,0,0|1,0,1]=4 22737 B13R1.2880 COC(=O)C[C@H]1CCCN1C(C)C 2230a_100025726698_100000210206 [0,1,0,1,0,0|1,0,0]=3 22738 B13R1.2880 COC(=O)C[C@H]1CCCN1C(C)C 269982a_100025726698_100000210206 [0,1,0,1,0,0|1,0,0]=3 22739 B13R1.2880 COC(=O)C[C@H]1CCCN1C(C)C 34a_100025726698_100000210206 [0,1,0,1,0,0|1,0,0]=3 22740 B13R1.9 C=C1CCC(CC1)COCCCC 34a_100000074039_100000210210 [0,1,0,1,0,0|2,0,0]=4 22741 B13R1.9 C=C1CCC(CC1)NCCCCC 270004a_100000209983_100010272673 [0,1,0,1,0,0|2,0,0]=4 22742 B13R1.9 C=C1CCN(CC1)CCCCCC 2230a_100000752442_100000210314 [0,1,0,1,0,0|2,0,0]=4 22743 B13R1.9 C=C1CCN(CC1)CCCCCC 269982a_100000752442_100000210757 [0,1,0,1,0,0|2,0,0]=4 22744 B13R1.9 C=C1CCN(CC1)CCCCCC 34a_100000752442_100000210314 [0,1,0,1,0,0|2,0,0]=4 22745 B13R1.9 CCCCCCN1CC=C(CC1)C 2230a_100000693516_100000210314 [0,1,0,1,0,0|2,0,0]=4 22746 B13R1.9 CCCCCCN1CC=C(CC1)C 269982a_100000693516_100000210757 [0,1,0,1,0,0|2,0,0]=4 22747 B13R1.9 CCCCCCN1CC=C(CC1)C 34a_100000693516_100000210314 [0,1,0,1,0,0|2,0,0]=4 22748 B13R1.9 CCCCCCN1CCS(=O)CC1 2230a_100000752083_100000210314 [0,1,0,1,0,0|2,0,0]=4 22749 B13R1.9 CCCCCCN1CCS(=O)CC1 269982a_100000752083_100000210757 [0,1,0,1,0,0|2,0,0]=4 22750 B13R1.9 CCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210326 [0,1,0,1,0,0|1,0,0]=3 22751 B13R1.9 CCCCCNC1CCC(=O)NC1 34a_100000748762_100000718602 [0,1,0,1,0,0|1,0,0]=3 22752 B13R1.9 CCCCCOC1CCC(=O)CC1 34a_100000764474_100000718602 [0,1,0,1,0,0|1,0,0]=3 22753 B13R1.9 CCCCCOC1CCC(=O)CC1 7a_100000764474_100000210326 [0,1,0,1,0,0|1,0,0]=3 22754 B13R1.9 CCCCCOC1CCC(=O)NC1 34a_100000079199_100000718602 [0,1,0,1,0,0|1,0,0]=3 22755 B13R1.9 CCCCCOC1CNC(=O)NC1 34a_100000080929_100000718602 [0,1,0,1,0,0|2,0,0]=4 22756 B13R1.9 CCCCOCC1CCC(=O)CC1 34a_100000062911_100000210210 [0,1,0,1,0,0|1,0,0]=3 22757 B13R1.9 CCOCCNC1CCC(=O)NC1 2230a_100000748762_100011215890 [0,1,0,1,0,0|2,0,0]=4 22758 B13R1.9 CCOCCNC1CCC(=O)NC1 34a_100000748762_100000210147 [0,1,0,1,0,0|2,0,0]=4 22759 B13R1.9 CCOCCOC1CCC(=O)CC1 34a_100000764474_100000210147 [0,1,0,1,0,0|2,0,0]=4 22760 B13R1.9 CCOCCOC1CCC(=O)CC1 7a_100000764474_100011215890 [0,1,0,1,0,0|2,0,0]=4 22761 B13R1.9 CCOCCOC1CCC(=O)NC1 34a_100000079199_100000210147 [0,1,0,1,0,0|2,0,0]=4 22762 B13R1.9 CCSCCNC1CCC(=O)NC1 2230a_100000748762_100000757381 [0,1,0,1,0,0|2,0,0]=4 22763 B13R1.9 CCSCCNC1CCC(=O)NC1 34a_100000748762_100000757381 [0,1,0,1,0,0|2,0,0]=4 22764 B13R1.9 CCSCCOC1CCC(=O)CC1 34a_100000764474_100000757381 [0,1,0,1,0,0|2,0,0]=4 22765 B13R1.9 CCSCCOC1CCC(=O)CC1 7a_100000764474_100000757381 [0,1,0,1,0,0|2,0,0]=4 22766 B13R1.9 CCSCCOC1CCC(=O)NC1 34a_100000079199_100000757381 [0,1,0,1,0,0|2,0,0]=4 22767 B13R1.9 COCCCNC1CCC(=O)NC1 2230a_100000748762_100000740836 [0,1,0,1,0,0|2,0,0]=4 22768 B13R1.9 COCCCNC1CCC(=O)NC1 34a_100000748762_100000740836 [0,1,0,1,0,0|2,0,0]=4 22769 B13R1.9 COCCCOC1CCC(=O)CC1 34a_100000764474_100000740836 [0,1,0,1,0,0|2,0,0]=4 22770 B13R1.9 COCCCOC1CCC(=O)CC1 7a_100000764474_100000740836 [0,1,0,1,0,0|2,0,0]=4 22771 B13R1.9 COCCCOC1CCC(=O)NC1 34a_100000079199_100000740836 [0,1,0,1,0,0|2,0,0]=4 22772 B13R1.9 COCCOCC1CCC(=O)CC1 34a_100000062911_100011201679 [0,1,0,1,0,0|2,0,0]=4 22773 B13R1.9 CSCCOCC1CCC(=O)CC1 34a_100000062911_100000212216 [0,1,0,1,0,0|2,0,0]=4 22774 B13R1.9 O=C1CCC(CC1)COCCCF 34a_100000062911_100011934791 [0,1,0,1,0,0|2,0,0]=4 22775 B13R1.9 O=C1CCC(CC1)COCCCO 34a_100000062911_100000230001 [0,1,0,1,0,0|2,0,0]=4 22776 B13R1.9 O=C1CCC(CC1)OCCCCF 34a_100000764474_100000729493 [0,1,0,1,0,0|2,0,0]=4 22777 B13R1.9 O=C1CCC(CC1)OCCCCF 7a_100000764474_100000729493 [0,1,0,1,0,0|2,0,0]=4 22778 B13R1.9 O=C1CCC(CC1)OCCCCO 34a_100000764474_100011216708 [0,1,0,1,0,0|2,0,0]=4 22779 B13R1.9 O=C1CCC(CC1)OCCCCO 7a_100000764474_100000210776 [0,1,0,1,0,0|2,0,0]=4 22780 B13R1.9 O=C1CCC(CN1)NCCCCF 2230a_100000748762_100000729493 [0,1,0,1,0,0|2,0,0]=4 22781 B13R1.9 O=C1CCC(CN1)NCCCCF 34a_100000748762_100000729493 [0,1,0,1,0,0|2,0,0]=4 22782 B13R1.9 O=C1CCC(CN1)NCCCCO 2230a_100000748762_100000210776 [0,1,0,1,0,0|2,0,0]=4 22783 B13R1.9 O=C1CCC(CN1)NCCCCO 34a_100000748762_100011216708 [0,1,0,1,0,0|2,0,0]=4 22784 B13R1.9 O=C1CCC(CN1)OCCCCF 34a_100000079199_100000729493 [0,1,0,1,0,0|2,0,0]=4 22785 B13R1.9 O=C1CCC(CN1)OCCCCO 34a_100000079199_100011216708 [0,1,0,1,0,0|2,0,0]=4 22786 B13R1.16 CCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210326 [0,1,0,1,0,0|2,0,0]=4 22787 B13R1.16 CCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210215 [0,1,0,1,0,0|2,0,0]=4 22788 B13R1.16 CCCCCN1CCNC(=O)C1C 34a_100000750721_100000718602 [0,1,0,1,0,0|2,0,0]=4 22789 B13R1.16 CCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210303 [0,1,0,1,0,0|1,0,0]=3 22790 B13R1.16 CCCNCC1CCCC(=O)N1C 34a_200010383782_100000210303 [0,1,0,1,0,0|1,0,0]=3 22791 B13R1.16 CN1C(=O)CCCC1CNCCF 2230a_200010383782_100011217306 [0,1,0,1,0,0|2,0,0]=4 22792 B13R1.16 CN1C(=O)CCCC1CNCCF 34a_200010383782_100011217306 [0,1,0,1,0,0|2,0,0]=4 22793 B13R1.16 CN1C(=O)CCCC1CNCCO 2230a_200010383782_100000211926 [0,1,0,1,0,0|2,0,0]=4 22794 B13R1.16 CN1C(=O)CCCC1CNCCO 34a_200010383782_100000211926 [0,1,0,1,0,0|2,0,0]=4 22795 B13R1.16 COCNCC1CCCC(=O)N1C 2230a_200010383782_100000766300 [0,1,0,1,0,0|2,0,0]=4 22796 B13R1.16 CSCNCC1CCCC(=O)N1C 2230a_200010383782_100011218213 [0,1,0,1,0,0|2,0,0]=4 22797 B13R1.16 CSCNCC1CCCC(=O)N1C 34a_200010383782_100011218213 [0,1,0,1,0,0|2,0,0]=4 22798 B13R1.27 CCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210681 [0,1,0,1,0,0|1,0,0]=3 22799 B13R1.27 CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210314 [0,1,0,1,0,0|1,0,0]=3 22800 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [0,1,0,1,0,0|1,0,0]=3 22801 B13R1.27 CCCCCCOC1CNC(=O)C1 34a_100000690082_100000210314 [0,1,0,1,0,0|1,0,0]=3 22802 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [0,1,0,1,0,0|1,0,0]=3 22803 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [0,1,0,1,0,0|1,0,0]=3 22804 B13R1.27 CCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210326 [0,1,0,1,0,0|1,0,0]=3 22805 B13R1.27 CCCCCNCC1CNC(=O)C1 34a_100016993742_100000718602 [0,1,0,1,0,0|1,0,0]=3 22806 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [0,1,0,1,0,0|2,0,0]=4 22807 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [0,1,0,1,0,0|2,0,0]=4 22808 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [0,1,0,1,0,0|2,0,0]=4 22809 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [0,1,0,1,0,0|2,0,0]=4 22810 B13R1.27 CCCCCNC[C@H]1COC(=O)N1 2230a_100000209983_100015307671 [0,1,0,1,0,0|1,0,0]=3 22811 B13R1.27 CCCCCNN=C1COC(=O)C1 4a_100000694160_100000211896 [0,1,0,1,0,0|1,0,1]=4 22812 B13R1.27 CCCCCOCC1=CC(=O)OC1 34a_100000210253_100000716558 [0,1,0,1,0,0|0,0,2]=4 22813 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [0,1,0,1,0,0|2,0,0]=4 22814 B13R1.27 CCCCCOCC1CNC(=O)C1 34a_100016041077_100000718602 [0,1,0,1,0,0|1,0,0]=3 22815 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [0,1,0,1,0,0|2,0,0]=4 22816 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [0,1,0,1,0,0|2,0,0]=4 22817 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [0,1,0,1,0,0|2,0,0]=4 22818 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [0,1,0,1,0,0|1,0,0]=3 22819 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [0,1,0,1,0,0|2,0,0]=4 22820 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 34a_100000210253_100015307671 [0,1,0,1,0,0|1,0,0]=3 22821 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 7a_100000210253_100015307671 [0,1,0,1,0,0|1,0,0]=3 22822 B13R1.27 CCCCCSCC1=CC(=O)OC1 62a_100000210326_100000716558 [0,1,0,1,0,0|0,0,2]=4 22823 B13R1.27 CCCCCSCC1=CC(=O)OC1 62a_100000716558_100000210326 [0,1,0,1,0,0|0,0,2]=4 22824 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [0,1,0,1,0,0|2,0,0]=4 22825 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [0,1,0,1,0,0|2,0,0]=4 22826 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [0,1,0,1,0,0|1,0,0]=3 22827 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [0,1,0,1,0,0|1,0,0]=3 22828 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [0,1,0,1,0,0|2,0,0]=4 22829 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [0,1,0,1,0,0|2,0,0]=4 22830 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100000210326_100015307671 [0,1,0,1,0,0|1,0,0]=3 22831 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210326 [0,1,0,1,0,0|1,0,0]=3 22832 B13R1.27 CCCCNCCC1COS(=O)O1 7a_106832991798_100009840081 [0,1,0,1,0,0|2,0,0]=4 22833 B13R1.27 CCCCOCCC1COS(=O)O1 7a_100000210227_100009840081 [0,1,0,1,0,0|2,0,0]=4 22834 B13R1.27 CCCCOCCN1CNC(=O)C1 2230a_200000708111_100000743108 [0,1,0,1,0,0|2,0,0]=4 22835 B13R1.27 CCCCOCNC1CNC(=O)C1 2230a_100000697751_100011995733 [0,1,0,1,0,0|2,0,0]=4 22836 B13R1.27 CCCCOCOC1CCC(=O)C1 34a_100012614533_100011995733 [0,1,0,1,0,0|2,0,0]=4 22837 B13R1.27 CCCCOCOC1CNC(=O)C1 34a_100000690082_100011995733 [0,1,0,1,0,0|2,0,0]=4 22838 B13R1.27 CCCCOCSC1COC(=O)O1 62a_100011995733_100000032252 [0,1,0,1,0,0|2,0,0]=4 22839 B13R1.27 CCCCSCCC1COS(=O)O1 62a_100000210211_100009840081 [0,1,0,1,0,0|2,0,0]=4 22840 B13R1.27 CCCOCCNC1CNC(=O)C1 2230a_100000697751_100011215938 [0,1,0,1,0,0|2,0,0]=4 22841 B13R1.27 CCCOCCNC1COC(=O)O1 34a_100161115042_100000032252 [0,1,0,1,0,0|2,0,0]=4 22842 B13R1.27 CCCOCCOC1CCC(=O)C1 34a_100012614533_100011215938 [0,1,0,1,0,0|2,0,0]=4 22843 B13R1.27 CCCOCCOC1CNC(=O)C1 34a_100000690082_100011215938 [0,1,0,1,0,0|2,0,0]=4 22844 B13R1.27 CCCOCCOC1COC(=O)O1 34a_100000752267_100000032252 [0,1,0,1,0,0|2,0,0]=4 22845 B13R1.27 CCCOCCSC1COC(=O)O1 62a_100011215938_100000032252 [0,1,0,1,0,0|2,0,0]=4 22846 B13R1.27 CCCSCCOC1COC(=O)O1 34a_200000230433_100000032252 [0,1,0,1,0,0|2,0,0]=4 22847 B13R1.27 CCOCCCNC1CNC(=O)C1 2230a_100000697751_100012232248 [0,1,0,1,0,0|2,0,0]=4 22848 B13R1.27 CCOCCCNC1COC(=O)O1 34a_100000210961_100000032252 [0,1,0,1,0,0|2,0,0]=4 22849 B13R1.27 CCOCCCOC1CCC(=O)C1 34a_100012614533_100012232248 [0,1,0,1,0,0|2,0,0]=4 22850 B13R1.27 CCOCCCOC1CNC(=O)C1 34a_100000690082_100012232248 [0,1,0,1,0,0|2,0,0]=4 22851 B13R1.27 CCOCCCOC1COC(=O)O1 34a_100000757476_100000032252 [0,1,0,1,0,0|2,0,0]=4 22852 B13R1.27 CCOCCCSC1COC(=O)O1 62a_100012232248_100000032252 [0,1,0,1,0,0|2,0,0]=4 22853 B13R1.27 CCOCCNCC1CNC(=O)C1 2230a_100016993742_100011215890 [0,1,0,1,0,0|2,0,0]=4 22854 B13R1.27 CCOCCNCC1CNC(=O)C1 34a_100016993742_100000210147 [0,1,0,1,0,0|2,0,0]=4 22855 B13R1.27 CCOCCNCC1COC(=O)O1 34a_102516460346_100000073702 [0,1,0,1,0,0|2,0,0]=4 22856 B13R1.27 CCOCCNC[C@H]1COC(=O)N1 2230a_102516460346_100015307671 [0,1,0,1,0,0|2,0,0]=4 22857 B13R1.27 CCOCCNC[C@H]1COC(=O)N1 34a_102516460346_100015307671 [0,1,0,1,0,0|2,0,0]=4 22858 B13R1.27 CCOCCOCC1CNC(=O)C1 34a_100016041077_100000210147 [0,1,0,1,0,0|2,0,0]=4 22859 B13R1.27 CCOCCOCC1COC(=O)O1 34a_100000210136_100000073702 [0,1,0,1,0,0|2,0,0]=4 22860 B13R1.27 CCOCCOC[C@H]1COC(=O)N1 34a_100000210136_100015307671 [0,1,0,1,0,0|2,0,0]=4 22861 B13R1.27 CCOCCOC[C@H]1COC(=O)N1 7a_100000210136_100015307671 [0,1,0,1,0,0|2,0,0]=4 22862 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000073702_100011215890 [0,1,0,1,0,0|2,0,0]=4 22863 B13R1.27 CCOCCSCC1COC(=O)O1 62a_100000210147_100000073702 [0,1,0,1,0,0|2,0,0]=4 22864 B13R1.27 CCOCCSC[C@H]1COC(=O)N1 62a_100000210147_100015307671 [0,1,0,1,0,0|2,0,0]=4 22865 B13R1.27 CCOCCSC[C@H]1COC(=O)N1 62a_100015307671_100011215890 [0,1,0,1,0,0|2,0,0]=4 22866 B13R1.27 CCSCCCOC1COC(=O)O1 34a_100011216438_100000032252 [0,1,0,1,0,0|2,0,0]=4 22867 B13R1.27 CCSCCNCC1CNC(=O)C1 2230a_100016993742_100000757381 [0,1,0,1,0,0|2,0,0]=4 22868 B13R1.27 CCSCCNCC1CNC(=O)C1 34a_100016993742_100000757381 [0,1,0,1,0,0|2,0,0]=4 22869 B13R1.27 CCSCCNC[C@H]1COC(=O)N1 2230a_100000106463_100015307671 [0,1,0,1,0,0|2,0,0]=4 22870 B13R1.27 CCSCCOCC1CNC(=O)C1 34a_100016041077_100000757381 [0,1,0,1,0,0|2,0,0]=4 22871 B13R1.27 CCSCCOCC1COC(=O)O1 34a_100000212035_100000073702 [0,1,0,1,0,0|2,0,0]=4 22872 B13R1.27 CCSCCOC[C@H]1COC(=O)N1 34a_100000212035_100015307671 [0,1,0,1,0,0|2,0,0]=4 22873 B13R1.27 CCSCCOC[C@H]1COC(=O)N1 7a_100000212035_100015307671 [0,1,0,1,0,0|2,0,0]=4 22874 B13R1.27 CCSCCSCC1COC(=O)O1 62a_100000073702_100000757381 [0,1,0,1,0,0|2,0,0]=4 22875 B13R1.27 CCSCCSCC1COC(=O)O1 62a_100000757381_100000073702 [0,1,0,1,0,0|2,0,0]=4 22876 B13R1.27 CCSCCSC[C@H]1COC(=O)N1 62a_100000757381_100015307671 [0,1,0,1,0,0|2,0,0]=4 22877 B13R1.27 CCSCCSC[C@H]1COC(=O)N1 62a_100015307671_100000757381 [0,1,0,1,0,0|2,0,0]=4 22878 B13R1.27 CNCCCOCC1COC(=O)O1 34a_100000213112_100000073702 [0,1,0,1,0,0|2,0,0]=4 22879 B13R1.27 CNCCCOC[C@H]1COC(=O)N1 34a_100000213112_100015307671 [0,1,0,1,0,0|2,0,0]=4 22880 B13R1.27 COCCCCNC1CNC(=O)C1 2230a_100000697751_100000730899 [0,1,0,1,0,0|2,0,0]=4 22881 B13R1.27 COCCCCOC1CCC(=O)C1 34a_100012614533_100000755781 [0,1,0,1,0,0|2,0,0]=4 22882 B13R1.27 COCCCCOC1CNC(=O)C1 34a_100000690082_100000755781 [0,1,0,1,0,0|2,0,0]=4 22883 B13R1.27 COCCCCOC1COC(=O)O1 34a_100000740925_100000032252 [0,1,0,1,0,0|2,0,0]=4 22884 B13R1.27 COCCCCSC1COC(=O)O1 62a_100000730899_100000032252 [0,1,0,1,0,0|2,0,0]=4 22885 B13R1.27 COCCCNCC1CNC(=O)C1 2230a_100016993742_100000740836 [0,1,0,1,0,0|2,0,0]=4 22886 B13R1.27 COCCCNCC1CNC(=O)C1 34a_100016993742_100000740836 [0,1,0,1,0,0|2,0,0]=4 22887 B13R1.27 COCCCNCC1COC(=O)O1 34a_100150723488_100000073702 [0,1,0,1,0,0|2,0,0]=4 22888 B13R1.27 COCCCNC[C@H]1COC(=O)N1 34a_100150723488_100015307671 [0,1,0,1,0,0|2,0,0]=4 22889 B13R1.27 COCCCOCC1CNC(=O)C1 34a_100016041077_100000740836 [0,1,0,1,0,0|2,0,0]=4 22890 B13R1.27 COCCCOCC1COC(=O)O1 34a_100000740835_100000073702 [0,1,0,1,0,0|2,0,0]=4 22891 B13R1.27 COCCCOC[C@H]1COC(=O)N1 34a_100000740835_100015307671 [0,1,0,1,0,0|2,0,0]=4 22892 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000073702_100000709357 [0,1,0,1,0,0|2,0,0]=4 22893 B13R1.27 COCCCSCC1COC(=O)O1 62a_100000709357_100000073702 [0,1,0,1,0,0|2,0,0]=4 22894 B13R1.27 COCCCSC[C@H]1COC(=O)N1 62a_100000709357_100015307671 [0,1,0,1,0,0|2,0,0]=4 22895 B13R1.27 COCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000709357 [0,1,0,1,0,0|2,0,0]=4 22896 B13R1.27 CSCCCCOC1COC(=O)O1 34a_100011217163_100000032252 [0,1,0,1,0,0|2,0,0]=4 22897 B13R1.27 CSCCCNC[C@H]1COC(=O)N1 2230a_100000749238_100015307671 [0,1,0,1,0,0|2,0,0]=4 22898 B13R1.27 CSCCCOCC1COC(=O)O1 34a_100000690336_100000073702 [0,1,0,1,0,0|2,0,0]=4 22899 B13R1.27 CSCCCOC[C@H]1COC(=O)N1 34a_100000690336_100015307671 [0,1,0,1,0,0|2,0,0]=4 22900 B13R1.27 CSCCCOC[C@H]1COC(=O)N1 7a_100000690336_100015307671 [0,1,0,1,0,0|2,0,0]=4 22901 B13R1.27 NCCCCCOC1COC(=O)O1 34a_100000762737_100000032252 [0,1,0,1,0,0|2,0,0]=4 22902 B13R1.27 NCCCCOCC1COC(=O)O1 34a_100000750430_100000073702 [0,1,0,1,0,0|2,0,0]=4 22903 B13R1.27 NCCCCOC[C@H]1COC(=O)N1 34a_100000750430_100015307671 [0,1,0,1,0,0|2,0,0]=4 22904 B13R1.27 O=C1CC(CN1)CNCCCCF 2230a_100016993742_100000729493 [0,1,0,1,0,0|2,0,0]=4 22905 B13R1.27 O=C1CC(CN1)CNCCCCF 34a_100016993742_100000729493 [0,1,0,1,0,0|2,0,0]=4 22906 B13R1.27 O=C1CC(CN1)CNCCCCO 2230a_100016993742_100000210776 [0,1,0,1,0,0|2,0,0]=4 22907 B13R1.27 O=C1CC(CN1)CNCCCCO 34a_100016993742_100011216708 [0,1,0,1,0,0|2,0,0]=4 22908 B13R1.27 O=C1CC(CN1)COCCCCF 34a_100016041077_100000729493 [0,1,0,1,0,0|2,0,0]=4 22909 B13R1.27 O=C1CC(CN1)COCCCCO 34a_100016041077_100011216708 [0,1,0,1,0,0|2,0,0]=4 22910 B13R1.27 O=C1CC(CN1)NCCCCCF 2230a_100000697751_100000729378 [0,1,0,1,0,0|2,0,0]=4 22911 B13R1.27 O=C1CC(CN1)NCCCCCO 2230a_100000697751_100000746330 [0,1,0,1,0,0|2,0,0]=4 22912 B13R1.27 O=C1CC(CN1)OCCCCCF 34a_100000690082_100000729378 [0,1,0,1,0,0|2,0,0]=4 22913 B13R1.27 O=C1CC(CN1)OCCCCCO 34a_100000690082_100000746330 [0,1,0,1,0,0|2,0,0]=4 22914 B13R1.27 O=C1CCC(C1)OCCCCCF 34a_100012614533_100000729378 [0,1,0,1,0,0|2,0,0]=4 22915 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [0,1,0,1,0,0|2,0,0]=4 22916 B13R1.27 O=C1CN(CN1)CCCCCCF 2230a_200000708111_100015922095 [0,1,0,1,0,0|2,0,0]=4 22917 B13R1.27 O=C1CN(CN1)CCCCCCO 2230a_200000708111_100000766143 [0,1,0,1,0,0|2,0,0]=4 22918 B13R1.27 O=C1N[C@H](CO1)CNCCCCO 2230a_100000750430_100015307671 [0,1,0,1,0,0|2,0,0]=4 22919 B13R1.27 O=C1N[C@H](CO1)CNCCCCO 34a_100000750430_100015307671 [0,1,0,1,0,0|2,0,0]=4 22920 B13R1.27 O=C1N[C@H](CO1)COCCCCBr 34a_100011216708_100015307671 [0,1,0,1,0,0|2,0,0]=4 22921 B13R1.27 O=C1N[C@H](CO1)COCCCCCl 34a_100000210776_100015307671 [0,1,0,1,0,0|2,0,0]=4 22922 B13R1.27 O=C1N[C@H](CO1)COCCCCCl 7a_100000210776_100015307671 [0,1,0,1,0,0|2,0,0]=4 22923 B13R1.27 O=C1N[C@H](CO1)COCCCCF 34a_100011995726_100015307671 [0,1,0,1,0,0|2,0,0]=4 22924 B13R1.27 O=C1N[C@H](CO1)COCCCCF 7a_100011995726_100015307671 [0,1,0,1,0,0|2,0,0]=4 22925 B13R1.27 O=C1N[C@H](CO1)COCCCCI 34a_200012148704_100015307671 [0,1,0,1,0,0|2,0,0]=4 22926 B13R1.27 O=C1N[C@H](CO1)CSCCCCF 62a_100000729493_100015307671 [0,1,0,1,0,0|2,0,0]=4 22927 B13R1.27 O=C1N[C@H](CO1)CSCCCCF 62a_100015307671_100000729493 [0,1,0,1,0,0|2,0,0]=4 22928 B13R1.27 O=C1N[C@H](CO1)CSCCCCO 62a_100000210776_100015307671 [0,1,0,1,0,0|2,0,0]=4 22929 B13R1.27 O=C1N[C@H](CO1)CSCCCCO 62a_100015307671_100000210776 [0,1,0,1,0,0|2,0,0]=4 22930 B13R1.27 O=C1OCC(O1)CNCCCCO 34a_100000750430_100000073702 [0,1,0,1,0,0|2,0,0]=4 22931 B13R1.27 O=C1OCC(O1)COCCCCBr 34a_100011216708_100000073702 [0,1,0,1,0,0|2,0,0]=4 22932 B13R1.27 O=C1OCC(O1)COCCCCCl 34a_100000210776_100000073702 [0,1,0,1,0,0|2,0,0]=4 22933 B13R1.27 O=C1OCC(O1)COCCCCF 34a_100011995726_100000073702 [0,1,0,1,0,0|2,0,0]=4 22934 B13R1.27 O=C1OCC(O1)COCCCCI 34a_200012148704_100000073702 [0,1,0,1,0,0|2,0,0]=4 22935 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000073702_100000729493 [0,1,0,1,0,0|2,0,0]=4 22936 B13R1.27 O=C1OCC(O1)CSCCCCF 62a_100000729493_100000073702 [0,1,0,1,0,0|2,0,0]=4 22937 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000073702_100000210776 [0,1,0,1,0,0|2,0,0]=4 22938 B13R1.27 O=C1OCC(O1)CSCCCCO 62a_100000210776_100000073702 [0,1,0,1,0,0|2,0,0]=4 22939 B13R1.27 O=C1OCC(O1)NCCCCCO 34a_100000762737_100000032252 [0,1,0,1,0,0|2,0,0]=4 22940 B13R1.27 O=C1OCC(O1)OCCCCCBr 34a_100000746331_100000032252 [0,1,0,1,0,0|2,0,0]=4 22941 B13R1.27 O=C1OCC(O1)OCCCCCCl 34a_100000746330_100000032252 [0,1,0,1,0,0|2,0,0]=4 22942 B13R1.27 O=C1OCC(O1)OCCCCCI 34a_200012148887_100000032252 [0,1,0,1,0,0|2,0,0]=4 22943 B13R1.27 O=C1OCC(O1)SCCCCCF 62a_100000729378_100000032252 [0,1,0,1,0,0|2,0,0]=4 22944 B13R1.27 O=C1OCC(O1)SCCCCCO 62a_100000746330_100000032252 [0,1,0,1,0,0|2,0,0]=4 22945 B13R1.91 C#CC1CCCCN1CC(=O)OC 2230a_200020621307_100000747449 [0,1,0,1,0,0|0,0,2]=4 22946 B13R1.91 C#CC1CCCCN1CC(=O)OC 269982a_200020621307_100000747449 [0,1,0,1,0,0|0,0,2]=4 22947 B13R1.91 C#CC1CCCCN1CC(=O)OC 34a_200020621307_100000747449 [0,1,0,1,0,0|0,0,2]=4 22948 B13R1.91 CCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747405 [0,1,0,1,0,0|1,0,0]=3 22949 B13R1.91 CCC(=O)CN1CCCCC1CO 269982a_100000210821_100000747405 [0,1,0,1,0,0|2,0,0]=4 22950 B13R1.91 CCC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_100000747405 [0,1,0,1,0,0|2,0,0]=4 22951 B13R1.91 CCC(=O)NC1CCCCC1OC 11a_100011208099_100000210414 [0,1,0,1,0,0|2,0,0]=4 22952 B13R1.91 CCC(=O)NC1CCCCC1OC 1626a_100011208099_100000210414 [0,1,0,1,0,0|2,0,0]=4 22953 B13R1.91 CCC(=O)NC1CCCCC1OC 240690a_100011208099_100000210414 [0,1,0,1,0,0|2,0,0]=4 22954 B13R1.91 CCC(=O)NC1CCCCC1OC 527a_100011208099_100000210414 [0,1,0,1,0,0|2,0,0]=4 22955 B13R1.91 CCC1CCCCN1CC(=O)NC 2230a_100000210034_100000183359 [0,1,0,1,0,0|1,0,0]=3 22956 B13R1.91 CCC1CCCCN1CC(=O)NC 269982a_100000210034_100000183359 [0,1,0,1,0,0|1,0,0]=3 22957 B13R1.91 CCC1CCCCN1CC(=O)NC 34a_100000210034_100000183359 [0,1,0,1,0,0|1,0,0]=3 22958 B13R1.91 CCC1CCCCN1CC(=O)OC 2230a_100000210034_100000747449 [0,1,0,1,0,0|0,0,0]=2 22959 B13R1.91 CCC1CCCCN1CC(=O)OC 269982a_100000210034_100000747449 [0,1,0,1,0,0|0,0,0]=2 22960 B13R1.91 CCC1CCCCN1CC(=O)OC 34a_100000210034_100000747449 [0,1,0,1,0,0|0,0,0]=2 22961 B13R1.91 CCN1CCOCC1CC(=O)OC 2230a_100000731486_100000210202 [0,1,0,1,0,0|1,0,0]=3 22962 B13R1.91 CCN1CCOCC1CC(=O)OC 34a_100000731486_100000210202 [0,1,0,1,0,0|1,0,0]=3 22963 B13R1.91 CC[C@H]1COCCN1CC(=O)NC 2230a_100016988097_100000183359 [0,1,0,1,0,0|2,0,0]=4 22964 B13R1.91 CC[C@H]1COCCN1CC(=O)NC 269982a_100016988097_100000183359 [0,1,0,1,0,0|2,0,0]=4 22965 B13R1.91 CC[C@H]1COCCN1CC(=O)NC 34a_100016988097_100000183359 [0,1,0,1,0,0|2,0,0]=4 22966 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 2230a_100016988097_100000747449 [0,1,0,1,0,0|1,0,0]=3 22967 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 269982a_100016988097_100000747449 [0,1,0,1,0,0|1,0,0]=3 22968 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 34a_100016988097_100000747449 [0,1,0,1,0,0|1,0,0]=3 22969 B13R1.91 CNC(=O)CN1CCCCC1CO 2230a_100000210821_100000183359 [0,1,0,1,0,0|2,0,0]=4 22970 B13R1.91 CNC(=O)CN1CCCCC1CO 269982a_100000210821_100000183359 [0,1,0,1,0,0|2,0,0]=4 22971 B13R1.91 CNC(=O)CN1CCCCC1CO 34a_100000210821_100000183359 [0,1,0,1,0,0|2,0,0]=4 22972 B13R1.91 CNC(=O)NC1CCCCC1OC 2708a_100011208099_106832991635 [0,1,0,1,0,0|2,0,0]=4 22973 B13R1.91 CNC(=O)NC1CCCCC1OC 2708a_100102657272_100011208099 [0,1,0,1,0,0|2,0,0]=4 22974 B13R1.91 CNC(=O)NC1CCCCC1OC 273464a_100011208099_100102657272 [0,1,0,1,0,0|2,0,0]=4 22975 B13R1.91 CNC(=O)NC1CCCCC1OC 273464a_100102657272_100011208099 [0,1,0,1,0,0|2,0,0]=4 22976 B13R1.91 CNC(=O)NC1CCCCC1OC 512a_100011208099_100102657272 [0,1,0,1,0,0|2,0,0]=4 22977 B13R1.91 CNC(=O)NC1CCCCC1OC 512a_106832991638_100011208099 [0,1,0,1,0,0|2,0,0]=4 22978 B13R1.91 COC(=O)CC1COCCN1CF 34a_100000731486_100015361967 [0,1,0,1,0,0|2,0,0]=4 22979 B13R1.91 COC(=O)CN1CCCCC1C#N 34a_100016989756_100000747449 [0,1,0,1,0,0|1,0,1]=4 22980 B13R1.91 COC(=O)CN1CCCCC1CO 2230a_100000210821_100000747449 [0,1,0,1,0,0|1,0,0]=3 22981 B13R1.91 COC(=O)CN1CCCCC1CO 269982a_100000210821_100000747449 [0,1,0,1,0,0|1,0,0]=3 22982 B13R1.91 COC(=O)CN1CCCCC1CO 34a_100000210821_100000747449 [0,1,0,1,0,0|1,0,0]=3 22983 B13R1.91 COC(=O)CN1CCOC[C@H]1CO 2230a_100000717676_100000747449 [0,1,0,1,0,0|2,0,0]=4 22984 B13R1.91 COC(=O)CN1CCOC[C@H]1CO 269982a_100000717676_100000747449 [0,1,0,1,0,0|2,0,0]=4 22985 B13R1.91 COC(=O)CN1CCOC[C@H]1CO 34a_100000717676_100000747449 [0,1,0,1,0,0|2,0,0]=4 22986 B13R1.222 CNC(=O)CCN1CCC1COC 2230a_100015195929_100000737683 [0,1,0,1,0,0|2,0,0]=4 22987 B13R1.222 CNC(=O)CCN1CCC1COC 269982a_100015195929_100000737683 [0,1,0,1,0,0|2,0,0]=4 22988 B13R1.222 CNC(=O)CCN1CCC1COC 34a_100015195929_100012179268 [0,1,0,1,0,0|2,0,0]=4 22989 B13R1.222 COCC1CCN1CCC(=O)OC 2230a_100015195929_100000204255 [0,1,0,1,0,0|1,0,0]=3 22990 B13R1.222 COCC1CCN1CCC(=O)OC 269982a_100015195929_100000204255 [0,1,0,1,0,0|1,0,0]=3 22991 B13R1.222 COCC1CCN1CCC(=O)OC 34a_100015195929_100000742370 [0,1,0,1,0,0|1,0,0]=3 22992 B13R1.382 C#CCN1CCCCC1C(=O)OC 2230a_100000734855_100000038162 [0,1,0,1,0,0|0,0,2]=4 22993 B13R1.382 C#CCN1CCCCC1C(=O)OC 34a_100000734855_100000184674 [0,1,0,1,0,0|0,0,2]=4 22994 B13R1.382 C=CC(=O)N1CCCCC1CCC 1626a_100000701414_100000185746 [0,1,0,1,0,0|1,0,1]=4 22995 B13R1.382 C=CC(=O)N1CCCCC1CCC 240690a_100000701414_200121576911 [0,1,0,1,0,0|1,0,1]=4 22996 B13R1.382 C=CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210623 [0,1,0,1,0,0|0,0,2]=4 22997 B13R1.382 C=CCN1CCCCC1C(=O)OC 269982a_100000734855_100000210623 [0,1,0,1,0,0|0,0,2]=4 22998 B13R1.382 C=CCN1CCCCC1C(=O)OC 34a_100000734855_100015514636 [0,1,0,1,0,0|0,0,2]=4 22999 B13R1.382 CCC(=O)N1CCCCC1CCO 240690a_100000211664_100000210414 [0,1,0,1,0,0|2,0,0]=4 23000 B13R1.382 CCC(=O)N1CCCCC1COC 11a_100015184032_100000210414 [0,1,0,1,0,0|2,0,0]=4 23001 B13R1.382 CCC(=O)N1CCCCC1COC 1626a_100015184032_100000210414 [0,1,0,1,0,0|2,0,0]=4 23002 B13R1.382 CCC(=O)N1CCCCC1COC 240690a_100015184032_100000210414 [0,1,0,1,0,0|2,0,0]=4 23003 B13R1.382 CCC(=O)N1CCCCC1COC 527a_100015184032_100000210414 [0,1,0,1,0,0|2,0,0]=4 23004 B13R1.382 CCCC1CCCCN1C(=O)CC 11a_100000701414_100000210414 [0,1,0,1,0,0|1,0,0]=3 23005 B13R1.382 CCCC1CCCCN1C(=O)CC 1626a_100000701414_100000210414 [0,1,0,1,0,0|1,0,0]=3 23006 B13R1.382 CCCC1CCCCN1C(=O)CC 240690a_100000701414_100000210414 [0,1,0,1,0,0|1,0,0]=3 23007 B13R1.382 CCCC1CCCCN1C(=O)CC 527a_100000701414_100000210414 [0,1,0,1,0,0|1,0,0]=3 23008 B13R1.382 CCCC1CCCCN1C(=O)CO 240690a_100000701414_100000210174 [0,1,0,1,0,0|2,0,0]=4 23009 B13R1.382 CCCC1CCCCN1C(=O)CO 527a_100000701414_100000210174 [0,1,0,1,0,0|2,0,0]=4 23010 B13R1.382 CCCC1CCCCN1C(=O)NC 2708a_100102657272_100000701414 [0,1,0,1,0,0|1,0,0]=3 23011 B13R1.382 CCCC1CCCCN1C(=O)NC 273464a_100102657272_100000701414 [0,1,0,1,0,0|1,0,0]=3 23012 B13R1.382 CCCC1CCCCN1C(C)OC 269982a_100000701414_100009879195 [0,1,0,1,0,0|1,0,1]=4 23013 B13R1.382 CCCC1COCCN1C(=O)CC 11a_102495339903_100000210414 [0,1,0,1,0,0|2,0,0]=4 23014 B13R1.382 CCCC1COCCN1C(=O)CC 1626a_102495339903_100000210414 [0,1,0,1,0,0|2,0,0]=4 23015 B13R1.382 CCCC1COCCN1C(=O)CC 240690a_102495339903_100000210414 [0,1,0,1,0,0|2,0,0]=4 23016 B13R1.382 CCCC1COCCN1C(=O)CC 527a_102495339903_100000210414 [0,1,0,1,0,0|2,0,0]=4 23017 B13R1.382 CCCC1COCCN1C(=O)NC 2708a_100102657272_102495339903 [0,1,0,1,0,0|2,0,0]=4 23018 B13R1.382 CCCC1COCCN1C(=O)NC 273464a_100102657272_102495339903 [0,1,0,1,0,0|2,0,0]=4 23019 B13R1.382 CCCN1CCCCC1C(=O)CC 1458a_100000743559_100000210202 [0,1,0,1,0,0|1,0,0]=3 23020 B13R1.382 CCCN1CCCCC1C(=O)CF 1458a_100000743559_100015361967 [0,1,0,1,0,0|2,0,0]=4 23021 B13R1.382 CCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210303 [0,1,0,1,0,0|1,0,0]=3 23022 B13R1.382 CCCN1CCCCC1C(=O)NC 240690a_100102657272_100000743559 [0,1,0,1,0,0|1,0,0]=3 23023 B13R1.382 CCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210303 [0,1,0,1,0,0|1,0,0]=3 23024 B13R1.382 CCCN1CCCCC1C(=O)NC 34a_100011209383_100000210303 [0,1,0,1,0,0|1,0,0]=3 23025 B13R1.382 CCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210303 [0,1,0,1,0,0|0,0,0]=2 23026 B13R1.382 CCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210303 [0,1,0,1,0,0|0,0,0]=2 23027 B13R1.382 CCCN1CCCCC1C(=O)OC 34a_100000734855_100000210303 [0,1,0,1,0,0|0,0,0]=2 23028 B13R1.382 CCCN1CCOCC1C(=O)OC 2230a_100000765174_100000210303 [0,1,0,1,0,0|1,0,0]=3 23029 B13R1.382 CCCN1CCOCC1C(=O)OC 34a_100000765174_100000210303 [0,1,0,1,0,0|1,0,0]=3 23030 B13R1.382 CCOC1CCNCC1C(=O)OC 34a_200103168510_100000210202 [0,1,0,1,0,0|1,0,0]=3 23031 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210202 [0,1,0,1,0,0|0,0,0]=2 23032 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210202 [0,1,0,1,0,0|0,0,0]=2 23033 B13R1.382 CNC(=O)C1CCCCN1CCF 2230a_100011209383_100011217306 [0,1,0,1,0,0|2,0,0]=4 23034 B13R1.382 CNC(=O)C1CCCCN1CCF 269982a_100011209383_100011217306 [0,1,0,1,0,0|2,0,0]=4 23035 B13R1.382 CNC(=O)C1CCCCN1CCF 34a_100011209383_100011217306 [0,1,0,1,0,0|2,0,0]=4 23036 B13R1.382 CNC(=O)C1CCCCN1CCO 2230a_100011209383_100000211926 [0,1,0,1,0,0|2,0,0]=4 23037 B13R1.382 CNC(=O)C1CCCCN1CCO 269982a_100011209383_100000211926 [0,1,0,1,0,0|2,0,0]=4 23038 B13R1.382 CNC(=O)C1CCCCN1CCO 34a_100011209383_100000211926 [0,1,0,1,0,0|2,0,0]=4 23039 B13R1.382 CNC(=O)C1CCCCN1COC 2230a_100011209383_100000766300 [0,1,0,1,0,0|2,0,0]=4 23040 B13R1.382 CNC(=O)C1CCCCN1COC 269982a_100011209383_100000766300 [0,1,0,1,0,0|2,0,0]=4 23041 B13R1.382 CNC(=O)C1CCCCN1CSC 2230a_100011209383_100011218213 [0,1,0,1,0,0|2,0,0]=4 23042 B13R1.382 CNC(=O)C1CCCCN1CSC 269982a_100011209383_100011218213 [0,1,0,1,0,0|2,0,0]=4 23043 B13R1.382 CNC(=O)C1CCCCN1CSC 34a_100011209383_100011218213 [0,1,0,1,0,0|2,0,0]=4 23044 B13R1.382 CNC(=O)N1CCCCC1CCO 2708a_100102657272_100000211664 [0,1,0,1,0,0|2,0,0]=4 23045 B13R1.382 CNC(=O)N1CCCCC1CCO 273464a_100102657272_100000211664 [0,1,0,1,0,0|2,0,0]=4 23046 B13R1.382 CNC(=O)N1CCCCC1COC 2708a_100102657272_100015184032 [0,1,0,1,0,0|2,0,0]=4 23047 B13R1.382 CNC(=O)N1CCCCC1COC 273464a_100102657272_100015184032 [0,1,0,1,0,0|2,0,0]=4 23048 B13R1.382 COC(=O)C1CCCCN1CC#N 2230a_100000734855_100011215382 [0,1,0,1,0,0|1,0,1]=4 23049 B13R1.382 COC(=O)C1CCCCN1CC#N 269982a_100000734855_100011214920 [0,1,0,1,0,0|1,0,1]=4 23050 B13R1.382 COC(=O)C1CCCCN1CC=O 2230a_100000734855_200015260668 [0,1,0,1,0,0|1,0,1]=4 23051 B13R1.382 COC(=O)C1CCCCN1CC=O 269982a_100000734855_200015260668 [0,1,0,1,0,0|1,0,1]=4 23052 B13R1.382 COC(=O)C1CCCCN1CC=O 34a_100000734855_200009817547 [0,1,0,1,0,0|1,0,1]=4 23053 B13R1.382 COC(=O)C1CCCCN1CCF 2230a_100000734855_100011217306 [0,1,0,1,0,0|1,0,0]=3 23054 B13R1.382 COC(=O)C1CCCCN1CCF 269982a_100000734855_100011217306 [0,1,0,1,0,0|1,0,0]=3 23055 B13R1.382 COC(=O)C1CCCCN1CCF 34a_100000734855_100011217306 [0,1,0,1,0,0|1,0,0]=3 23056 B13R1.382 COC(=O)C1CCCCN1CCO 2230a_100000734855_100000211926 [0,1,0,1,0,0|1,0,0]=3 23057 B13R1.382 COC(=O)C1CCCCN1CCO 269982a_100000734855_100000211926 [0,1,0,1,0,0|1,0,0]=3 23058 B13R1.382 COC(=O)C1CCCCN1CCO 34a_100000734855_100000211926 [0,1,0,1,0,0|1,0,0]=3 23059 B13R1.382 COC(=O)C1CCCCN1CSC 2230a_100000734855_100011218213 [0,1,0,1,0,0|1,0,0]=3 23060 B13R1.382 COC(=O)C1CCCCN1CSC 269982a_100000734855_100011218213 [0,1,0,1,0,0|1,0,0]=3 23061 B13R1.382 COC(=O)C1CCCCN1CSC 34a_100000734855_100011218213 [0,1,0,1,0,0|1,0,0]=3 23062 B13R1.382 COC(=O)C1CNCCC1OCF 34a_200103168510_100015361967 [0,1,0,1,0,0|2,0,0]=4 23063 B13R1.382 COC(=O)C1COCCN1CCF 2230a_100000765174_100011217306 [0,1,0,1,0,0|2,0,0]=4 23064 B13R1.382 COC(=O)C1COCCN1CCF 34a_100000765174_100011217306 [0,1,0,1,0,0|2,0,0]=4 23065 B13R1.382 COC(=O)C1COCCN1CCO 2230a_100000765174_100000211926 [0,1,0,1,0,0|2,0,0]=4 23066 B13R1.382 COC(=O)C1COCCN1CCO 34a_100000765174_100000211926 [0,1,0,1,0,0|2,0,0]=4 23067 B13R1.382 COC(=O)C1COCCN1CSC 2230a_100000765174_100011218213 [0,1,0,1,0,0|2,0,0]=4 23068 B13R1.382 COC(=O)C1COCCN1CSC 34a_100000765174_100011218213 [0,1,0,1,0,0|2,0,0]=4 23069 B13R1.382 COC(=O)[C@@H]1CCCC[C@@H]1OCF 34a_100015709673_100015361967 [0,1,0,1,0,0|1,0,0]=3 23070 B13R1.382 COC(=O)[C@@H]1CCCC[C@@H]1OCF 7a_100015709673_100015361967 [0,1,0,1,0,0|1,0,0]=3 23071 B13R1.382 COCN1CCCCC1C(=O)OC 2230a_100000734855_100000766300 [0,1,0,1,0,0|1,0,0]=3 23072 B13R1.382 COCN1CCCCC1C(=O)OC 269982a_100000734855_100000766300 [0,1,0,1,0,0|1,0,0]=3 23073 B13R1.382 COCN1CCOCC1C(=O)OC 2230a_100000765174_100000766300 [0,1,0,1,0,0|2,0,0]=4 23074 B13R1.393 C#CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000038162 [0,1,0,1,0,0|0,0,2]=4 23075 B13R1.393 C#CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000184674 [0,1,0,1,0,0|0,0,2]=4 23076 B13R1.393 C=CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210623 [0,1,0,1,0,0|0,0,2]=4 23077 B13R1.393 C=CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210623 [0,1,0,1,0,0|0,0,2]=4 23078 B13R1.393 C=CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100015514636 [0,1,0,1,0,0|0,0,2]=4 23079 B13R1.393 CCC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000747405 [0,1,0,1,0,0|2,0,0]=4 23080 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210303 [0,1,0,1,0,0|0,0,0]=2 23081 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210303 [0,1,0,1,0,0|0,0,0]=2 23082 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210303 [0,1,0,1,0,0|0,0,0]=2 23083 B13R1.393 CNC(=O)CN1CCC[C@H]1COC 2230a_100020646714_100000183359 [0,1,0,1,0,0|2,0,0]=4 23084 B13R1.393 CNC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000183359 [0,1,0,1,0,0|2,0,0]=4 23085 B13R1.393 CNC(=O)CN1CCC[C@H]1COC 34a_100020646714_100000183359 [0,1,0,1,0,0|2,0,0]=4 23086 B13R1.393 COC(=O)C[C@H]1CCCN1CC#N 2230a_100025726698_100011215382 [0,1,0,1,0,0|1,0,1]=4 23087 B13R1.393 COC(=O)C[C@H]1CCCN1CC#N 269982a_100025726698_100011214920 [0,1,0,1,0,0|1,0,1]=4 23088 B13R1.393 COC(=O)C[C@H]1CCCN1CC=O 2230a_100025726698_200015260668 [0,1,0,1,0,0|1,0,1]=4 23089 B13R1.393 COC(=O)C[C@H]1CCCN1CC=O 269982a_100025726698_200015260668 [0,1,0,1,0,0|1,0,1]=4 23090 B13R1.393 COC(=O)C[C@H]1CCCN1CC=O 34a_100025726698_200009817547 [0,1,0,1,0,0|1,0,1]=4 23091 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 2230a_100025726698_100011217306 [0,1,0,1,0,0|1,0,0]=3 23092 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 269982a_100025726698_100011217306 [0,1,0,1,0,0|1,0,0]=3 23093 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 34a_100025726698_100011217306 [0,1,0,1,0,0|1,0,0]=3 23094 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 2230a_100025726698_100000211926 [0,1,0,1,0,0|1,0,0]=3 23095 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 269982a_100025726698_100000211926 [0,1,0,1,0,0|1,0,0]=3 23096 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 34a_100025726698_100000211926 [0,1,0,1,0,0|1,0,0]=3 23097 B13R1.393 COC(=O)C[C@H]1CCCN1CSC 2230a_100025726698_100011218213 [0,1,0,1,0,0|1,0,0]=3 23098 B13R1.393 COC(=O)C[C@H]1CCCN1CSC 269982a_100025726698_100011218213 [0,1,0,1,0,0|1,0,0]=3 23099 B13R1.393 COC(=O)C[C@H]1CCCN1CSC 34a_100025726698_100011218213 [0,1,0,1,0,0|1,0,0]=3 23100 B13R1.393 COCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000766300 [0,1,0,1,0,0|1,0,0]=3 23101 B13R1.393 COCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000766300 [0,1,0,1,0,0|1,0,0]=3 23102 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 2230a_100020646714_100000747449 [0,1,0,1,0,0|1,0,0]=3 23103 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 269982a_100020646714_100000747449 [0,1,0,1,0,0|1,0,0]=3 23104 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 34a_100020646714_100000747449 [0,1,0,1,0,0|1,0,0]=3 23105 B13R1.536 C=CC(=O)NCCCC1CCCC1 1626a_100000736752_100000185746 [0,1,0,1,0,0|1,0,1]=4 23106 B13R1.536 C=CC(=O)NCCCC1CCCC1 240690a_100000736752_200121576911 [0,1,0,1,0,0|1,0,1]=4 23107 B13R1.536 CCC(=O)CCCCC1OCCO1 1458a_100000210414_100000034956 [0,1,0,1,0,0|2,0,0]=4 23108 B13R1.536 CCC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_100000210202 [0,1,0,1,0,0|2,0,0]=4 23109 B13R1.536 CCC(=O)COCCC1CCCC1 34a_100000725409_100000760354 [0,1,0,1,0,0|1,0,0]=3 23110 B13R1.536 CCC(=O)COCCC1CCCC1 7a_100000749090_100000747405 [0,1,0,1,0,0|1,0,0]=3 23111 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000747405_100000760354 [0,1,0,1,0,0|1,0,0]=3 23112 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000760354_100000747405 [0,1,0,1,0,0|1,0,0]=3 23113 B13R1.536 CCC(=O)CSCCN1CCCC1 1458a_200015187850_100000210202 [0,1,0,1,0,0|2,0,0]=4 23114 B13R1.536 CCC(=O)CSCCN1CCCC1 62a_100000700749_100000747405 [0,1,0,1,0,0|2,0,0]=4 23115 B13R1.536 CCC(=O)CSCCN1CCCC1 62a_100000747405_100000004467 [0,1,0,1,0,0|2,0,0]=4 23116 B13R1.536 CCC(=O)NCCCC1CCCC1 11a_100000736752_100000210414 [0,1,0,1,0,0|1,0,0]=3 23117 B13R1.536 CCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210414 [0,1,0,1,0,0|1,0,0]=3 23118 B13R1.536 CCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210414 [0,1,0,1,0,0|1,0,0]=3 23119 B13R1.536 CCC(=O)NCCCC1CCCC1 527a_100000736752_100000210414 [0,1,0,1,0,0|1,0,0]=3 23120 B13R1.536 CCC(=O)NCCCN1CCCC1 240690a_100000204695_100000210414 [0,1,0,1,0,0|2,0,0]=4 23121 B13R1.536 CCC(=O)NCCNC1CCCC1 270004a_100132302217_100000210133 [0,1,0,1,0,0|2,0,0]=4 23122 B13R1.536 CCC(=O)NCCNC1CCCC1 34a_100132302217_100000179811 [0,1,0,1,0,0|2,0,0]=4 23123 B13R1.536 CCC(=O)NCCOC1CCCC1 11a_100000741755_100000210414 [0,1,0,1,0,0|2,0,0]=4 23124 B13R1.536 CCC(=O)NCCOC1CCCC1 1626a_100000741755_100000210414 [0,1,0,1,0,0|2,0,0]=4 23125 B13R1.536 CCC(=O)NCCOC1CCCC1 240690a_100000741755_100000210414 [0,1,0,1,0,0|2,0,0]=4 23126 B13R1.536 CCC(=O)NCCOC1CCCC1 34a_200000158885_100000179811 [0,1,0,1,0,0|2,0,0]=4 23127 B13R1.536 CCC(=O)NCCOC1CCCC1 527a_100000741755_100000210414 [0,1,0,1,0,0|2,0,0]=4 23128 B13R1.536 CCC(=O)NCCOC1CCCC1 7a_200000158885_100000179811 [0,1,0,1,0,0|2,0,0]=4 23129 B13R1.536 CCC(=O)OCCOC1CCCC1 7a_200000031056_100000179811 [0,1,0,1,0,0|2,0,0]=4 23130 B13R1.536 CNC(=O)CCCC[C@@H]1CCSS1 11a_106832991635_100009816572 [0,1,0,1,0,0|2,0,0]=4 23131 B13R1.536 CNC(=O)CCCC[C@@H]1CCSS1 1626a_100102657272_100009816572 [0,1,0,1,0,0|2,0,0]=4 23132 B13R1.536 CNC(=O)CCCC[C@@H]1CCSS1 240690a_100102657272_100009816572 [0,1,0,1,0,0|2,0,0]=4 23133 B13R1.536 CNC(=O)CCCC[C@@H]1CCSS1 527a_100102657272_100009816572 [0,1,0,1,0,0|2,0,0]=4 23134 B13R1.536 CNC(=O)CCCNC1CCCC1 2230a_100000211070_100000741757 [0,1,0,1,0,0|1,0,0]=3 23135 B13R1.536 CNC(=O)CCCNC1CCCC1 2230a_100000740002_100000179811 [0,1,0,1,0,0|1,0,0]=3 23136 B13R1.536 CNC(=O)CCCNC1CCCC1 270004a_100000740002_100000210133 [0,1,0,1,0,0|1,0,0]=3 23137 B13R1.536 CNC(=O)CCCNC1CCCC1 34a_100000211070_100000741757 [0,1,0,1,0,0|1,0,0]=3 23138 B13R1.536 CNC(=O)CCCNC1CCCC1 34a_100000740002_100000179811 [0,1,0,1,0,0|1,0,0]=3 23139 B13R1.536 CNC(=O)CCCNC1CCOC1 2230a_100000740002_100000731011 [0,1,0,1,0,0|2,0,0]=4 23140 B13R1.536 CNC(=O)CCCNC1CCOC1 270004a_100000740002_100000752484 [0,1,0,1,0,0|2,0,0]=4 23141 B13R1.536 CNC(=O)CCCNC1CCOC1 34a_100000740002_100000690089 [0,1,0,1,0,0|2,0,0]=4 23142 B13R1.536 CNC(=O)CCCNC1CCSC1 270004a_100000740002_100000212027 [0,1,0,1,0,0|2,0,0]=4 23143 B13R1.536 CNC(=O)CCCN[C@@H]1CCOC1 2230a_200015188469_100000741757 [0,1,0,1,0,0|2,0,0]=4 23144 B13R1.536 CNC(=O)CCCN[C@H]1CCOC1 2230a_100015188467_100000741757 [0,1,0,1,0,0|2,0,0]=4 23145 B13R1.536 CNC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000741757 [0,1,0,1,0,0|2,0,0]=4 23146 B13R1.536 CNC(=O)CCCOC1CCCC1 34a_100000210269_100000741757 [0,1,0,1,0,0|1,0,0]=3 23147 B13R1.536 CNC(=O)CCCOC1CCCC1 7a_100000210269_100000741757 [0,1,0,1,0,0|1,0,0]=3 23148 B13R1.536 CNC(=O)CCCOC1CCCO1 34a_100000085407_100000741757 [0,1,0,1,0,0|2,0,0]=4 23149 B13R1.536 CNC(=O)CCCOC1CCSC1 7a_100011232664_100000741757 [0,1,0,1,0,0|2,0,0]=4 23150 B13R1.536 CNC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000741757 [0,1,0,1,0,0|2,0,0]=4 23151 B13R1.536 CNC(=O)CCCSC1CCCC1 62a_100000741757_100000179811 [0,1,0,1,0,0|1,0,0]=3 23152 B13R1.536 CNC(=O)CCCSC1CCCC1 62a_100011217020_100000741757 [0,1,0,1,0,0|1,0,0]=3 23153 B13R1.536 CNC(=O)CCCSC1CCOC1 62a_100000741757_100000690089 [0,1,0,1,0,0|2,0,0]=4 23154 B13R1.536 CNC(=O)CCNCC1CCCC1 2230a_100000737975_100000737683 [0,1,0,1,0,0|1,0,0]=3 23155 B13R1.536 CNC(=O)CCNCC1CCCC1 2230a_100000738227_100000740388 [0,1,0,1,0,0|1,0,0]=3 23156 B13R1.536 CNC(=O)CCNCC1CCCC1 269862a_100000738227_100000746403 [0,1,0,1,0,0|1,0,0]=3 23157 B13R1.536 CNC(=O)CCNCC1CCCC1 34a_100000737975_100012179268 [0,1,0,1,0,0|1,0,0]=3 23158 B13R1.536 CNC(=O)CCNCC1CCCC1 34a_100000738227_100000740388 [0,1,0,1,0,0|1,0,0]=3 23159 B13R1.536 CNC(=O)CCNCC1CCCO1 2230a_100000738227_100000203698 [0,1,0,1,0,0|2,0,0]=4 23160 B13R1.536 CNC(=O)CCNCC1CCOC1 2230a_100000737293_100000737683 [0,1,0,1,0,0|2,0,0]=4 23161 B13R1.536 CNC(=O)CCNCC1CCOC1 2230a_100000738227_100000702531 [0,1,0,1,0,0|2,0,0]=4 23162 B13R1.536 CNC(=O)CCNCC1CCOC1 34a_100000737293_100012179268 [0,1,0,1,0,0|2,0,0]=4 23163 B13R1.536 CNC(=O)CCNCC1CCOC1 34a_100000738227_100011261433 [0,1,0,1,0,0|2,0,0]=4 23164 B13R1.536 CNC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000737683 [0,1,0,1,0,0|2,0,0]=4 23165 B13R1.536 CNC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100012179268 [0,1,0,1,0,0|2,0,0]=4 23166 B13R1.536 CNC(=O)CCOCC1CCCC1 34a_100000742336_100012179268 [0,1,0,1,0,0|1,0,0]=3 23167 B13R1.536 CNC(=O)CCOCC1CCCC1 34a_100000754576_100000740388 [0,1,0,1,0,0|1,0,0]=3 23168 B13R1.536 CNC(=O)CCOCC1CCCC1 7a_100000742336_100000737683 [0,1,0,1,0,0|1,0,0]=3 23169 B13R1.536 CNC(=O)CCOCC1CCCO1 34a_100000210270_100012179268 [0,1,0,1,0,0|2,0,0]=4 23170 B13R1.536 CNC(=O)CCOCC1CCCO1 7a_100000210270_100000737683 [0,1,0,1,0,0|2,0,0]=4 23171 B13R1.536 CNC(=O)CCOCC1CCNC1 34a_100000748654_100012179268 [0,1,0,1,0,0|2,0,0]=4 23172 B13R1.536 CNC(=O)CCOCC1CCOC1 34a_100000740260_100012179268 [0,1,0,1,0,0|2,0,0]=4 23173 B13R1.536 CNC(=O)CCOCC1CCOC1 34a_100000754576_100011261433 [0,1,0,1,0,0|2,0,0]=4 23174 B13R1.536 CNC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100012179268 [0,1,0,1,0,0|2,0,0]=4 23175 B13R1.536 CNC(=O)CCSCC1CCCC1 62a_100000737683_100000740388 [0,1,0,1,0,0|1,0,0]=3 23176 B13R1.536 CNC(=O)CCSCC1CCCC1 62a_100000740388_100000737683 [0,1,0,1,0,0|1,0,0]=3 23177 B13R1.536 CNC(=O)CCSCC1CCCO1 62a_100000203698_100000737683 [0,1,0,1,0,0|2,0,0]=4 23178 B13R1.536 CNC(=O)CCSCC1CCCO1 62a_100000737683_100000203698 [0,1,0,1,0,0|2,0,0]=4 23179 B13R1.536 CNC(=O)CCSCC1CCOC1 62a_100000702531_100000737683 [0,1,0,1,0,0|2,0,0]=4 23180 B13R1.536 CNC(=O)CCSCC1CCOC1 62a_100000737683_100000702531 [0,1,0,1,0,0|2,0,0]=4 23181 B13R1.536 CNC(=O)CNCCC1CCCC1 2230a_100000693194_100000760354 [0,1,0,1,0,0|1,0,0]=3 23182 B13R1.536 CNC(=O)CNCCC1CCCC1 2230a_100000739158_100000183359 [0,1,0,1,0,0|1,0,0]=3 23183 B13R1.536 CNC(=O)CNCCC1CCCC1 34a_100000739158_100000183359 [0,1,0,1,0,0|1,0,0]=3 23184 B13R1.536 CNC(=O)COCCC1CCCC1 34a_100000749090_100000183359 [0,1,0,1,0,0|1,0,0]=3 23185 B13R1.536 CNC(=O)COCCC1CCCC1 34a_100000750040_100000760354 [0,1,0,1,0,0|1,0,0]=3 23186 B13R1.536 CNC(=O)COCCC1CCCC1 7a_100000749090_100000183359 [0,1,0,1,0,0|1,0,0]=3 23187 B13R1.536 CNC(=O)COCCC1CCNC1 34a_100016987287_100000183359 [0,1,0,1,0,0|2,0,0]=4 23188 B13R1.536 CNC(=O)COCCC1CCOC1 34a_100011879284_100000183359 [0,1,0,1,0,0|2,0,0]=4 23189 B13R1.536 CNC(=O)CSCCC1CCCC1 62a_100000183359_100000760354 [0,1,0,1,0,0|1,0,0]=3 23190 B13R1.536 CNC(=O)CSCCC1CCCC1 62a_100000760354_100000183359 [0,1,0,1,0,0|1,0,0]=3 23191 B13R1.536 CNC(=O)CSCCN1CCCC1 11a_106832991635_200015187850 [0,1,0,1,0,0|2,0,0]=4 23192 B13R1.536 CNC(=O)CSCCN1CCCC1 240690a_100102657272_200015187850 [0,1,0,1,0,0|2,0,0]=4 23193 B13R1.536 CNC(=O)CSCCN1CCCC1 62a_100000183359_100000004467 [0,1,0,1,0,0|2,0,0]=4 23194 B13R1.536 CNC(=O)CSCCN1CCCC1 62a_100000700749_100000183359 [0,1,0,1,0,0|2,0,0]=4 23195 B13R1.536 CNC(=O)NCCCC1CCCC1 2708a_100000736752_106832991635 [0,1,0,1,0,0|1,0,0]=3 23196 B13R1.536 CNC(=O)NCCCC1CCCC1 2708a_100102657272_100000736752 [0,1,0,1,0,0|1,0,0]=3 23197 B13R1.536 CNC(=O)NCCCC1CCCC1 273464a_100000736752_100102657272 [0,1,0,1,0,0|1,0,0]=3 23198 B13R1.536 CNC(=O)NCCCC1CCCC1 273464a_100102657272_100000736752 [0,1,0,1,0,0|1,0,0]=3 23199 B13R1.536 CNC(=O)NCCCC1CCCC1 512a_100000736752_100102657272 [0,1,0,1,0,0|1,0,0]=3 23200 B13R1.536 CNC(=O)NCCCC1CCCC1 512a_106832991638_100000736752 [0,1,0,1,0,0|1,0,0]=3 23201 B13R1.536 CNC(=O)NCCCN1CCCC1 2708a_100000204695_106832991635 [0,1,0,1,0,0|2,0,0]=4 23202 B13R1.536 CNC(=O)NCCCN1CCCC1 2708a_100102657272_100000204695 [0,1,0,1,0,0|2,0,0]=4 23203 B13R1.536 CNC(=O)NCCCN1CCCC1 273464a_100000204695_100102657272 [0,1,0,1,0,0|2,0,0]=4 23204 B13R1.536 CNC(=O)NCCCN1CCCC1 273464a_100102657272_100000204695 [0,1,0,1,0,0|2,0,0]=4 23205 B13R1.536 CNC(=O)NCCNC1CCCC1 34a_100015205895_100000179811 [0,1,0,1,0,0|2,0,0]=4 23206 B13R1.536 CNC(=O)NCCOC1CCCC1 2708a_100000741755_106832991635 [0,1,0,1,0,0|2,0,0]=4 23207 B13R1.536 CNC(=O)NCCOC1CCCC1 2708a_100102657272_100000741755 [0,1,0,1,0,0|2,0,0]=4 23208 B13R1.536 CNC(=O)NCCOC1CCCC1 273464a_100000741755_100102657272 [0,1,0,1,0,0|2,0,0]=4 23209 B13R1.536 CNC(=O)NCCOC1CCCC1 273464a_100102657272_100000741755 [0,1,0,1,0,0|2,0,0]=4 23210 B13R1.536 CNC(=O)NCCOC1CCCC1 512a_100000741755_100102657272 [0,1,0,1,0,0|2,0,0]=4 23211 B13R1.536 CNC(=O)NCCOC1CCCC1 512a_106832991638_100000741755 [0,1,0,1,0,0|2,0,0]=4 23212 B13R1.536 CNC(=O)OCCNC1CCCC1 34a_100000211070_200011997002 [0,1,0,1,0,0|2,0,0]=4 23213 B13R1.536 CNC(=O)OCCOC1CCCC1 34a_100000210269_200011997002 [0,1,0,1,0,0|2,0,0]=4 23214 B13R1.536 CNC(=O)OCCOC1CCCC1 7a_100000210269_200011997002 [0,1,0,1,0,0|2,0,0]=4 23215 B13R1.536 CNC(=O)OCCSC1CCCC1 62a_100011217020_200011997002 [0,1,0,1,0,0|2,0,0]=4 23216 B13R1.536 CNC(=O)OCCSC1CCCC1 62a_200011997002_100000179811 [0,1,0,1,0,0|2,0,0]=4 23217 B13R1.536 COC(=O)/C=C/CNC1CCCC1 2230a_100000211070_100000742655 [0,1,0,1,0,0|0,0,2]=4 23218 B13R1.536 COC(=O)/C=C/CNC1CCCC1 34a_100000211070_100000742655 [0,1,0,1,0,0|0,0,2]=4 23219 B13R1.536 COC(=O)/C=C/COC1CCCC1 34a_100000210269_100000742655 [0,1,0,1,0,0|0,0,2]=4 23220 B13R1.536 COC(=O)/C=C/COC1CCCC1 7a_100000210269_100000742655 [0,1,0,1,0,0|0,0,2]=4 23221 B13R1.536 COC(=O)/C=C/CSC1CCCC1 62a_100000742655_100000179811 [0,1,0,1,0,0|0,0,2]=4 23222 B13R1.536 COC(=O)/C=C/CSC1CCCC1 62a_100011217020_100000742655 [0,1,0,1,0,0|0,0,2]=4 23223 B13R1.536 COC(=O)CC=NNC1CCCC1 4a_100000737850_200011552997 [0,1,0,1,0,0|1,0,1]=4 23224 B13R1.536 COC(=O)CCCCN1CC=CC1 269982a_100015195280_100000204269 [0,1,0,1,0,0|0,0,2]=4 23225 B13R1.536 COC(=O)CCCCN1CCCC1 2230a_100000188435_100000204269 [0,1,0,1,0,0|0,0,0]=2 23226 B13R1.536 COC(=O)CCCCN1CCCC1 269982a_100000188435_100000204269 [0,1,0,1,0,0|0,0,0]=2 23227 B13R1.536 COC(=O)CCCCN1CCSC1 2230a_100011215254_100000204269 [0,1,0,1,0,0|1,0,0]=3 23228 B13R1.536 COC(=O)CCCCN1CCSC1 269982a_100011215254_100000204269 [0,1,0,1,0,0|1,0,0]=3 23229 B13R1.536 COC(=O)CCCNC1CC=CC1 2230a_100015188752_100011218270 [0,1,0,1,0,0|0,0,2]=4 23230 B13R1.536 COC(=O)CCCNC1CCCC1 2230a_100000211070_100011218270 [0,1,0,1,0,0|0,0,0]=2 23231 B13R1.536 COC(=O)CCCNC1CCCC1 34a_100000211070_100000742333 [0,1,0,1,0,0|0,0,0]=2 23232 B13R1.536 COC(=O)CCCN[C@@H]1CCOC1 2230a_200015188469_100011218270 [0,1,0,1,0,0|1,0,0]=3 23233 B13R1.536 COC(=O)CCCN[C@H]1CCOC1 2230a_100015188467_100011218270 [0,1,0,1,0,0|1,0,0]=3 23234 B13R1.536 COC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000742333 [0,1,0,1,0,0|1,0,0]=3 23235 B13R1.536 COC(=O)CCCOC1CCCC1 34a_100000210269_100000742333 [0,1,0,1,0,0|0,0,0]=2 23236 B13R1.536 COC(=O)CCCOC1CCCC1 7a_100000210269_100011218270 [0,1,0,1,0,0|0,0,0]=2 23237 B13R1.536 COC(=O)CCCOC1CCCO1 34a_100000085407_100000742333 [0,1,0,1,0,0|1,0,0]=3 23238 B13R1.536 COC(=O)CCCOC1CCSC1 7a_100011232664_100011218270 [0,1,0,1,0,0|1,0,0]=3 23239 B13R1.536 COC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000742333 [0,1,0,1,0,0|1,0,0]=3 23240 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011217020_100011218270 [0,1,0,1,0,0|0,0,0]=2 23241 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011218270_100000179811 [0,1,0,1,0,0|0,0,0]=2 23242 B13R1.536 COC(=O)CCCSC1CCOC1 62a_100011218270_100000690089 [0,1,0,1,0,0|1,0,0]=3 23243 B13R1.536 COC(=O)CCNCC1CCCC1 2230a_100000737975_100000204255 [0,1,0,1,0,0|0,0,0]=2 23244 B13R1.536 COC(=O)CCNCC1CCCC1 34a_100000737975_100000742370 [0,1,0,1,0,0|0,0,0]=2 23245 B13R1.536 COC(=O)CCNCC1CCOC1 2230a_100000737293_100000204255 [0,1,0,1,0,0|1,0,0]=3 23246 B13R1.536 COC(=O)CCNCC1CCOC1 34a_100000737293_100000742370 [0,1,0,1,0,0|1,0,0]=3 23247 B13R1.536 COC(=O)CCNCC1OCCO1 2230a_100000036311_100000204255 [0,1,0,1,0,0|2,0,0]=4 23248 B13R1.536 COC(=O)CCNCC1OCCO1 34a_100000036311_100000742370 [0,1,0,1,0,0|2,0,0]=4 23249 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000204255 [0,1,0,1,0,0|1,0,0]=3 23250 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000742370 [0,1,0,1,0,0|1,0,0]=3 23251 B13R1.536 COC(=O)CCOCC1CC=CC1 34a_100000688395_100000742370 [0,1,0,1,0,0|0,0,2]=4 23252 B13R1.536 COC(=O)CCOCC1CCCC1 34a_100000742336_100000742370 [0,1,0,1,0,0|0,0,0]=2 23253 B13R1.536 COC(=O)CCOCC1CCCC1 7a_100000742336_100000204255 [0,1,0,1,0,0|0,0,0]=2 23254 B13R1.536 COC(=O)CCOCC1CCCO1 34a_100000210270_100000742370 [0,1,0,1,0,0|1,0,0]=3 23255 B13R1.536 COC(=O)CCOCC1CCCO1 7a_100000210270_100000204255 [0,1,0,1,0,0|1,0,0]=3 23256 B13R1.536 COC(=O)CCOCC1CCNC1 34a_100000748654_100000742370 [0,1,0,1,0,0|1,0,0]=3 23257 B13R1.536 COC(=O)CCOCC1CCOC1 34a_100000740260_100000742370 [0,1,0,1,0,0|1,0,0]=3 23258 B13R1.536 COC(=O)CCOCC1COCO1 34a_100011216627_100000742370 [0,1,0,1,0,0|2,0,0]=4 23259 B13R1.536 COC(=O)CCOCC1OCCO1 34a_100000087154_100000742370 [0,1,0,1,0,0|2,0,0]=4 23260 B13R1.536 COC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000742370 [0,1,0,1,0,0|1,0,0]=3 23261 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000204255_100000740388 [0,1,0,1,0,0|0,0,0]=2 23262 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000740388_100000204255 [0,1,0,1,0,0|0,0,0]=2 23263 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000203698_100000204255 [0,1,0,1,0,0|1,0,0]=3 23264 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000204255_100000203698 [0,1,0,1,0,0|1,0,0]=3 23265 B13R1.536 COC(=O)CCSCC1CCOC1 62a_100000204255_100000702531 [0,1,0,1,0,0|1,0,0]=3 23266 B13R1.536 COC(=O)CCSCC1CCOC1 62a_100000702531_100000204255 [0,1,0,1,0,0|1,0,0]=3 23267 B13R1.536 COC(=O)CCSCC1OCCO1 62a_100000204255_100000755774 [0,1,0,1,0,0|2,0,0]=4 23268 B13R1.536 COC(=O)CCSCC1OCCO1 62a_100000755774_100000204255 [0,1,0,1,0,0|2,0,0]=4 23269 B13R1.536 COC(=O)CNCCC1CCCC1 2230a_100000739158_100000747449 [0,1,0,1,0,0|0,0,0]=2 23270 B13R1.536 COC(=O)CNCCC1CCCC1 34a_100000739158_100000747449 [0,1,0,1,0,0|0,0,0]=2 23271 B13R1.536 COC(=O)CNCCC1OCCO1 2230a_100000034215_100000747449 [0,1,0,1,0,0|2,0,0]=4 23272 B13R1.536 COC(=O)CNCCC1OCCO1 34a_100000034215_100000747449 [0,1,0,1,0,0|2,0,0]=4 23273 B13R1.536 COC(=O)COCCC1CCCC1 34a_100000749090_100000747449 [0,1,0,1,0,0|0,0,0]=2 23274 B13R1.536 COC(=O)COCCC1CCCC1 7a_100000749090_100000747449 [0,1,0,1,0,0|0,0,0]=2 23275 B13R1.536 COC(=O)COCCC1CCNC1 34a_100016987287_100000747449 [0,1,0,1,0,0|1,0,0]=3 23276 B13R1.536 COC(=O)COCCC1CCOC1 34a_100011879284_100000747449 [0,1,0,1,0,0|1,0,0]=3 23277 B13R1.536 COC(=O)COCCN1CCCC1 2230a_100000188435_100000090808 [0,1,0,1,0,0|1,0,0]=3 23278 B13R1.536 COC(=O)COCCN1CCSC1 2230a_100011215254_100000090808 [0,1,0,1,0,0|2,0,0]=4 23279 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000747449_100000760354 [0,1,0,1,0,0|0,0,0]=2 23280 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000760354_100000747449 [0,1,0,1,0,0|0,0,0]=2 23281 B13R1.536 COC(=O)CSCCC1OCCO1 62a_100000747449_100000740749 [0,1,0,1,0,0|2,0,0]=4 23282 B13R1.536 COC(=O)CSCCN1CCCC1 62a_100000700749_100000747449 [0,1,0,1,0,0|1,0,0]=3 23283 B13R1.536 COC(=O)CSCCN1CCCC1 62a_100000747449_100000004467 [0,1,0,1,0,0|1,0,0]=3 23284 B13R1.536 COC(=O)NCCOC1CCCC1 34a_100000757965_100000179811 [0,1,0,1,0,0|1,0,0]=3 23285 B13R1.536 COC(=O)NCCOC1CCOC1 34a_100000757965_100000690089 [0,1,0,1,0,0|2,0,0]=4 23286 B13R1.536 COC(=O)OCCOC1CCCC1 34a_100010262106_100000179811 [0,1,0,1,0,0|1,0,0]=3 23287 B13R1.536 COC(=O)OCCOC1CCOC1 34a_100010262106_100000690089 [0,1,0,1,0,0|2,0,0]=4 23288 B13R1.536 COC(=O)OCSCC1CCCC1 62a_100000740388_100000139417 [0,1,0,1,0,0|1,0,0]=3 23289 B13R1.536 COC(=O)OCSCC1CCCO1 62a_100000203698_100000139417 [0,1,0,1,0,0|2,0,0]=4 23290 B13R1.536 COC(=O)OCSCC1CCOC1 62a_100000702531_100000139417 [0,1,0,1,0,0|2,0,0]=4 23291 B13R1.536 COC(C)CCOCC1CCCC1 7a_100000764861_100000740388 [0,1,0,1,0,0|1,0,1]=4 23292 B13R1.536 COC(C)COCCC1CCCC1 34a_100000690652_100000760354 [0,1,0,1,0,0|1,0,1]=4 23293 B13R1.536 COC(C)SCCCC1CCCC1 62a_100009879195_100011713738 [0,1,0,1,0,0|1,0,1]=4 23294 B13R1.536 COC(C)SCCCC1CCCC1 62a_100011713738_100009879195 [0,1,0,1,0,0|1,0,1]=4 23295 B13R1.536 CO[C@H](C)CNCCC1CCCC1 2230a_100020591295_100000760354 [0,1,0,1,0,0|1,0,1]=4 23296 B13R1.536 NNC(=O)CCCOC1CCCC1 34a_100000211488_100000179811 [0,1,0,1,0,0|2,0,0]=4 23297 B13R1.536 O=C(CO)NCCCC1CCCC1 240690a_100000736752_100000210174 [0,1,0,1,0,0|2,0,0]=4 23298 B13R1.536 O=C(CO)NCCCC1CCCC1 527a_100000736752_100000210174 [0,1,0,1,0,0|2,0,0]=4 23299 B13R1.560 CCCCCCCNCC1CCO1 2230a_100000229938_100000103362 [0,1,0,1,0,0|1,0,1]=4 23300 B13R1.560 CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210681 [0,1,0,1,0,0|1,0,1]=4 23301 B13R1.560 CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210614 [0,1,0,1,0,0|1,0,1]=4 23302 B13R1.560 CCCCCCCOCC1CCO1 34a_100000039022_100000210614 [0,1,0,1,0,0|1,0,1]=4 23303 B13R1.560 CCCCCCCOCC1CCO1 34a_100000210272_100000103362 [0,1,0,1,0,0|1,0,1]=4 23304 B13R1.560 CCCCCCCOCC1CCO1 7a_100000210272_100000103362 [0,1,0,1,0,0|1,0,1]=4 23305 B13R1.560 CCCCCCCSCC1CCO1 62a_100000103362_100000210316 [0,1,0,1,0,0|1,0,1]=4 23306 B13R1.560 CCCCCCCSCC1CCO1 62a_100000210614_100000103362 [0,1,0,1,0,0|1,0,1]=4 23307 B13R1.581 C#CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000688953 [0,1,0,1,0,0|0,0,2]=4 23308 B13R1.581 C#CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000730999 [0,1,0,1,0,0|0,0,2]=4 23309 B13R1.581 C#CCOC1CCCC1C(=O)OC 34a_200000081814_100000184674 [0,1,0,1,0,0|0,0,2]=4 23310 B13R1.581 C#CCOC1CCCC1C(=O)OC 7a_200000081814_100000038162 [0,1,0,1,0,0|0,0,2]=4 23311 B13R1.581 C/C=C/CN1CCC[C@H]1C(=O)OC 269982a_100000752040_100102629194 [0,1,0,1,0,0|0,0,2]=4 23312 B13R1.581 C=CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000754431 [0,1,0,1,0,0|0,0,2]=4 23313 B13R1.581 C=CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000754431 [0,1,0,1,0,0|0,0,2]=4 23314 B13R1.581 C=CCOC1CCCC1C(=O)OC 34a_200000081814_100015514636 [0,1,0,1,0,0|0,0,2]=4 23315 B13R1.581 C=CCOC1CCCC1C(=O)OC 7a_200000081814_100015514636 [0,1,0,1,0,0|0,0,2]=4 23316 B13R1.581 CC#CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000748600 [0,1,0,1,0,0|0,0,2]=4 23317 B13R1.581 CC=CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000070051 [0,1,0,1,0,0|0,0,2]=4 23318 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210211 [0,1,0,1,0,0|1,0,0]=3 23319 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210211 [0,1,0,1,0,0|1,0,0]=3 23320 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210210 [0,1,0,1,0,0|1,0,0]=3 23321 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210211 [0,1,0,1,0,0|0,0,0]=2 23322 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210211 [0,1,0,1,0,0|0,0,0]=2 23323 B13R1.581 CCCCN1CCSC1C(=O)OC 2230a_100015296106_100000210211 [0,1,0,1,0,0|1,0,0]=3 23324 B13R1.581 CCCCN1CCSC1C(=O)OC 269982a_100015296106_100000210211 [0,1,0,1,0,0|1,0,0]=3 23325 B13R1.581 CCCCN1CSCC1C(=O)OC 269982a_200000724679_100000210211 [0,1,0,1,0,0|1,0,0]=3 23326 B13R1.581 CCCOC1CCCC1C(=O)OC 34a_200000081814_100000210303 [0,1,0,1,0,0|0,0,0]=2 23327 B13R1.581 CCCOC1CCCC1C(=O)OC 7a_200000081814_100000210303 [0,1,0,1,0,0|0,0,0]=2 23328 B13R1.581 CCNN=C1CCCC1C(=O)OC 4a_100000756455_100000685950 [0,1,0,1,0,0|1,0,1]=4 23329 B13R1.581 CCOCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000739092 [0,1,0,1,0,0|2,0,0]=4 23330 B13R1.581 CCOCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000739092 [0,1,0,1,0,0|1,0,0]=3 23331 B13R1.581 CCOCN1CCSC1C(=O)OC 269982a_100015296106_100000739092 [0,1,0,1,0,0|2,0,0]=4 23332 B13R1.581 CCOCN1CSCC1C(=O)OC 269982a_200000724679_100000739092 [0,1,0,1,0,0|2,0,0]=4 23333 B13R1.581 CNC(=O)[C@@H]1CCCN1CCCF 2230a_100015185040_100011934791 [0,1,0,1,0,0|2,0,0]=4 23334 B13R1.581 CNC(=O)[C@@H]1CCCN1CCCF 269982a_100015185040_100011934791 [0,1,0,1,0,0|2,0,0]=4 23335 B13R1.581 CNC(=O)[C@@H]1CCCN1CCCF 34a_100015185040_100011934791 [0,1,0,1,0,0|2,0,0]=4 23336 B13R1.581 CNC(=O)[C@@H]1CCCN1CCCO 2230a_100015185040_100000230001 [0,1,0,1,0,0|2,0,0]=4 23337 B13R1.581 CNC(=O)[C@@H]1CCCN1CCCO 269982a_100015185040_100011215043 [0,1,0,1,0,0|2,0,0]=4 23338 B13R1.581 CNC(=O)[C@@H]1CCCN1CCCO 34a_100015185040_100000230001 [0,1,0,1,0,0|2,0,0]=4 23339 B13R1.581 CNC(=O)[C@@H]1CCCN1CCOC 2230a_100015185040_100011201679 [0,1,0,1,0,0|2,0,0]=4 23340 B13R1.581 CNC(=O)[C@@H]1CCCN1CCOC 269982a_100015185040_100000233755 [0,1,0,1,0,0|2,0,0]=4 23341 B13R1.581 CNC(=O)[C@@H]1CCCN1CCOC 34a_100015185040_100011201679 [0,1,0,1,0,0|2,0,0]=4 23342 B13R1.581 CNC(=O)[C@@H]1CCCN1CCSC 2230a_100015185040_100000751147 [0,1,0,1,0,0|2,0,0]=4 23343 B13R1.581 CNC(=O)[C@@H]1CCCN1CCSC 269982a_100015185040_100000212216 [0,1,0,1,0,0|2,0,0]=4 23344 B13R1.581 CNC(=O)[C@@H]1CCCN1CCSC 34a_100015185040_100000212216 [0,1,0,1,0,0|2,0,0]=4 23345 B13R1.581 COC(=O)C1CCCC1OCC#N 7a_200000081814_100011215382 [0,1,0,1,0,0|1,0,1]=4 23346 B13R1.581 COC(=O)C1CCCC1OCC=O 34a_200000081814_200009817547 [0,1,0,1,0,0|1,0,1]=4 23347 B13R1.581 COC(=O)C1CCCC1OCC=O 7a_200000081814_200015260668 [0,1,0,1,0,0|1,0,1]=4 23348 B13R1.581 COC(=O)C1CCCC1OCCF 34a_200000081814_100011217306 [0,1,0,1,0,0|1,0,0]=3 23349 B13R1.581 COC(=O)C1CCCC1OCCF 7a_200000081814_100011217306 [0,1,0,1,0,0|1,0,0]=3 23350 B13R1.581 COC(=O)C1CCCC1OCCO 34a_200000081814_100000211926 [0,1,0,1,0,0|1,0,0]=3 23351 B13R1.581 COC(=O)C1CCCC1OCCO 7a_200000081814_100000211926 [0,1,0,1,0,0|1,0,0]=3 23352 B13R1.581 COC(=O)C1CCCC1OCSC 34a_200000081814_100011218213 [0,1,0,1,0,0|1,0,0]=3 23353 B13R1.581 COC(=O)C1CSCN1CCCF 269982a_200000724679_100011934791 [0,1,0,1,0,0|2,0,0]=4 23354 B13R1.581 COC(=O)C1CSCN1CCCO 269982a_200000724679_100011215043 [0,1,0,1,0,0|2,0,0]=4 23355 B13R1.581 COC(=O)C1CSCN1CCSC 269982a_200000724679_100000212216 [0,1,0,1,0,0|2,0,0]=4 23356 B13R1.581 COC(=O)C1SCCN1CCCF 2230a_100015296106_100011934791 [0,1,0,1,0,0|2,0,0]=4 23357 B13R1.581 COC(=O)C1SCCN1CCCF 269982a_100015296106_100011934791 [0,1,0,1,0,0|2,0,0]=4 23358 B13R1.581 COC(=O)C1SCCN1CCCO 2230a_100015296106_100000230001 [0,1,0,1,0,0|2,0,0]=4 23359 B13R1.581 COC(=O)C1SCCN1CCCO 269982a_100015296106_100011215043 [0,1,0,1,0,0|2,0,0]=4 23360 B13R1.581 COC(=O)C1SCCN1CCSC 2230a_100015296106_100000751147 [0,1,0,1,0,0|2,0,0]=4 23361 B13R1.581 COC(=O)C1SCCN1CCSC 269982a_100015296106_100000212216 [0,1,0,1,0,0|2,0,0]=4 23362 B13R1.581 COC(=O)[C@@H]1CCCN1CCC#N 2230a_100000752040_100011215226 [0,1,0,1,0,0|1,0,1]=4 23363 B13R1.581 COC(=O)[C@@H]1CCCN1CCC#N 269982a_100000752040_100011215226 [0,1,0,1,0,0|1,0,1]=4 23364 B13R1.581 COC(=O)[C@@H]1CCCN1CCCF 2230a_100000752040_100011934791 [0,1,0,1,0,0|1,0,0]=3 23365 B13R1.581 COC(=O)[C@@H]1CCCN1CCCF 269982a_100000752040_100011934791 [0,1,0,1,0,0|1,0,0]=3 23366 B13R1.581 COC(=O)[C@@H]1CCCN1CCCO 2230a_100000752040_100000230001 [0,1,0,1,0,0|1,0,0]=3 23367 B13R1.581 COC(=O)[C@@H]1CCCN1CCCO 269982a_100000752040_100011215043 [0,1,0,1,0,0|1,0,0]=3 23368 B13R1.581 COC(=O)[C@@H]1CCCN1CCSC 2230a_100000752040_100000751147 [0,1,0,1,0,0|1,0,0]=3 23369 B13R1.581 COC(=O)[C@@H]1CCCN1CCSC 269982a_100000752040_100000212216 [0,1,0,1,0,0|1,0,0]=3 23370 B13R1.581 COCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100011201679 [0,1,0,1,0,0|1,0,0]=3 23371 B13R1.581 COCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000233755 [0,1,0,1,0,0|1,0,0]=3 23372 B13R1.581 COCCN1CCSC1C(=O)OC 2230a_100015296106_100011201679 [0,1,0,1,0,0|2,0,0]=4 23373 B13R1.581 COCCN1CCSC1C(=O)OC 269982a_100015296106_100000233755 [0,1,0,1,0,0|2,0,0]=4 23374 B13R1.581 COCCN1CSCC1C(=O)OC 269982a_200000724679_100000233755 [0,1,0,1,0,0|2,0,0]=4 23375 B13R1.599 CCC(=O)NCCC1CCCN1C 240690a_100011219722_100000210414 [0,1,0,1,0,0|2,0,0]=4 23376 B13R1.599 CCC(=O)NCCC1CCCN1C 527a_100011219722_100000210414 [0,1,0,1,0,0|2,0,0]=4 23377 B13R1.599 CNC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100000741757 [0,1,0,1,0,0|1,0,0]=3 23378 B13R1.599 CNC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100000741757 [0,1,0,1,0,0|1,0,0]=3 23379 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100000741757 [0,1,0,1,0,0|1,0,0]=3 23380 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100000741757 [0,1,0,1,0,0|1,0,0]=3 23381 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000741757 [0,1,0,1,0,0|1,0,0]=3 23382 B13R1.599 CNC(=O)CCCN1CCSC1C 2230a_200011216479_100000741757 [0,1,0,1,0,0|2,0,0]=4 23383 B13R1.599 CNC(=O)CCCN1CCSC1C 269982a_200011216479_100000741757 [0,1,0,1,0,0|2,0,0]=4 23384 B13R1.599 CNC(=O)CCCN1CCSC1C 34a_200011216479_100000741757 [0,1,0,1,0,0|2,0,0]=4 23385 B13R1.599 CNC(=O)CCNC1CCCC1C 269862a_100000738227_100000752053 [0,1,0,1,0,0|1,0,0]=3 23386 B13R1.599 CNC(=O)CCNC1CCOC1C 270004a_100000738227_100000691750 [0,1,0,1,0,0|2,0,0]=4 23387 B13R1.599 CNC(=O)CCOC1CCCC1C 34a_100011216460_100012179268 [0,1,0,1,0,0|1,0,0]=3 23388 B13R1.599 CNC(=O)CCOC1CCCC1C 7a_100011216460_100000737683 [0,1,0,1,0,0|1,0,0]=3 23389 B13R1.599 CNC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100012179268 [0,1,0,1,0,0|2,0,0]=4 23390 B13R1.599 CNC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100012179268 [0,1,0,1,0,0|2,0,0]=4 23391 B13R1.599 CNC(=O)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100012179268 [0,1,0,1,0,0|2,0,0]=4 23392 B13R1.599 CNC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000737683_200016002552 [0,1,0,1,0,0|2,0,0]=4 23393 B13R1.599 CNC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000737683 [0,1,0,1,0,0|2,0,0]=4 23394 B13R1.599 CNC(=O)COCC1CCCN1C 34a_100000743107_100000183359 [0,1,0,1,0,0|2,0,0]=4 23395 B13R1.599 CNC(=O)NCCC1CCCN1C 2708a_100011219722_106832991635 [0,1,0,1,0,0|2,0,0]=4 23396 B13R1.599 CNC(=O)NCCC1CCCN1C 2708a_100102657272_100011219722 [0,1,0,1,0,0|2,0,0]=4 23397 B13R1.599 CNC(=O)NCCC1CCCN1C 273464a_100011219722_100102657272 [0,1,0,1,0,0|2,0,0]=4 23398 B13R1.599 CNC(=O)NCCC1CCCN1C 273464a_100102657272_100011219722 [0,1,0,1,0,0|2,0,0]=4 23399 B13R1.599 CNC(=O)NCCC1CCCN1C 512a_100011219722_100102657272 [0,1,0,1,0,0|2,0,0]=4 23400 B13R1.599 CNC(=O)NCCC1CCCN1C 512a_106832991638_100011219722 [0,1,0,1,0,0|2,0,0]=4 23401 B13R1.599 CNC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_200011997002 [0,1,0,1,0,0|2,0,0]=4 23402 B13R1.599 CNC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_200011997002 [0,1,0,1,0,0|2,0,0]=4 23403 B13R1.599 CNC(=O)OCCN1CCC[C@H]1C 34a_100015189458_200011997002 [0,1,0,1,0,0|2,0,0]=4 23404 B13R1.599 COC(=O)/C=C/CN1CCC[C@@H]1C 2230a_100020605311_100000742655 [0,1,0,1,0,0|0,0,2]=4 23405 B13R1.599 COC(=O)/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100000742655 [0,1,0,1,0,0|0,0,2]=4 23406 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 2230a_100015189458_100000742655 [0,1,0,1,0,0|0,0,2]=4 23407 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 269982a_100015189458_100000742655 [0,1,0,1,0,0|0,0,2]=4 23408 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 34a_100015189458_100000742655 [0,1,0,1,0,0|0,0,2]=4 23409 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100011218270 [0,1,0,1,0,0|0,0,0]=2 23410 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011218270 [0,1,0,1,0,0|0,0,0]=2 23411 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100011218270 [0,1,0,1,0,0|0,0,0]=2 23412 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011218270 [0,1,0,1,0,0|0,0,0]=2 23413 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000742333 [0,1,0,1,0,0|0,0,0]=2 23414 B13R1.599 COC(=O)CCCN1CCSC1C 2230a_200011216479_100011218270 [0,1,0,1,0,0|1,0,0]=3 23415 B13R1.599 COC(=O)CCCN1CCSC1C 269982a_200011216479_100011218270 [0,1,0,1,0,0|1,0,0]=3 23416 B13R1.599 COC(=O)CCCN1CCSC1C 34a_200011216479_100000742333 [0,1,0,1,0,0|1,0,0]=3 23417 B13R1.599 COC(=O)CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000204255 [0,1,0,1,0,0|2,0,0]=4 23418 B13R1.599 COC(=O)CCOC1CCCC1=O 34a_200000719330_100000742370 [0,1,0,1,0,0|1,0,1]=4 23419 B13R1.599 COC(=O)CCOC1CCCC1C 34a_100011216460_100000742370 [0,1,0,1,0,0|0,0,0]=2 23420 B13R1.599 COC(=O)CCOC1CCCC1C 7a_100011216460_100000204255 [0,1,0,1,0,0|0,0,0]=2 23421 B13R1.599 COC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000742370 [0,1,0,1,0,0|1,0,0]=3 23422 B13R1.599 COC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000742370 [0,1,0,1,0,0|1,0,0]=3 23423 B13R1.599 COC(=O)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000742370 [0,1,0,1,0,0|1,0,0]=3 23424 B13R1.599 COC(=O)CCO[C@H]1COC[C@@H]1N 34a_100015191717_100000742370 [0,1,0,1,0,0|2,0,0]=4 23425 B13R1.599 COC(=O)CCSC1CCCC1=O 62a_100000204255_100000211823 [0,1,0,1,0,0|1,0,1]=4 23426 B13R1.599 COC(=O)CCSC1CCCC1=O 62a_100000211823_100000204255 [0,1,0,1,0,0|1,0,1]=4 23427 B13R1.599 COC(=O)CCSC1COCC1O 62a_100000204255_200000725654 [0,1,0,1,0,0|2,0,0]=4 23428 B13R1.599 COC(=O)CCSC1COCC1O 62a_200000725654_100000204255 [0,1,0,1,0,0|2,0,0]=4 23429 B13R1.599 COC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000204255_200016002552 [0,1,0,1,0,0|1,0,0]=3 23430 B13R1.599 COC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000204255 [0,1,0,1,0,0|1,0,0]=3 23431 B13R1.599 COC(=O)COCC1CCCN1C 34a_100000743107_100000747449 [0,1,0,1,0,0|1,0,0]=3 23432 B13R1.599 COC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139417 [0,1,0,1,0,0|2,0,0]=4 23433 B13R1.613 CCC(=O)NCC1CCCN1CC 11a_100000211693_100000210414 [0,1,0,1,0,0|2,0,0]=4 23434 B13R1.613 CCC(=O)NCC1CCCN1CC 1626a_100000211693_100000210414 [0,1,0,1,0,0|2,0,0]=4 23435 B13R1.613 CCC(=O)NCC1CCCN1CC 240690a_100000211693_100000210414 [0,1,0,1,0,0|2,0,0]=4 23436 B13R1.613 CCC(=O)NCC1CCCN1CC 527a_100000211693_100000210414 [0,1,0,1,0,0|2,0,0]=4 23437 B13R1.613 CCC1C=CCN1CCC(=O)OC 2230a_100000730860_100000204255 [0,1,0,1,0,0|0,0,2]=4 23438 B13R1.613 CCC1C=CCN1CCC(=O)OC 269982a_100000730860_100000204255 [0,1,0,1,0,0|0,0,2]=4 23439 B13R1.613 CCC1C=CCN1CCC(=O)OC 34a_100000730860_100000742370 [0,1,0,1,0,0|0,0,2]=4 23440 B13R1.613 CCC1CCCC1NCC(=O)NC 269862a_100000693194_100000749056 [0,1,0,1,0,0|1,0,0]=3 23441 B13R1.613 CCC1CCCC1NCC(=O)NC 270004a_100000693194_100000749056 [0,1,0,1,0,0|1,0,0]=3 23442 B13R1.613 CCC1CCCC1NC[C@@H](C)OC 269862a_100020591295_100000749056 [0,1,0,1,0,0|1,0,1]=4 23443 B13R1.613 CCC1CCCC1NC[C@@H](C)OC 270004a_100020591295_100000749056 [0,1,0,1,0,0|1,0,1]=4 23444 B13R1.613 CCC1CCCN1CCC(=O)NC 2230a_100000754278_100000737683 [0,1,0,1,0,0|1,0,0]=3 23445 B13R1.613 CCC1CCCN1CCC(=O)NC 269982a_100000754278_100000737683 [0,1,0,1,0,0|1,0,0]=3 23446 B13R1.613 CCC1CCCN1CCC(=O)NC 34a_100000754278_100012179268 [0,1,0,1,0,0|1,0,0]=3 23447 B13R1.613 CCC1CCCN1CCC(=O)OC 2230a_100000754278_100000204255 [0,1,0,1,0,0|0,0,0]=2 23448 B13R1.613 CCC1CCCN1CCC(=O)OC 269982a_100000754278_100000204255 [0,1,0,1,0,0|0,0,0]=2 23449 B13R1.613 CCC1CCCN1CCC(=O)OC 34a_100000754278_100000742370 [0,1,0,1,0,0|0,0,0]=2 23450 B13R1.613 CCN1CCCC1CNC(=O)NC 2708a_100102657272_100000211693 [0,1,0,1,0,0|2,0,0]=4 23451 B13R1.613 CCN1CCCC1CNC(=O)NC 273464a_100000211693_100102657272 [0,1,0,1,0,0|2,0,0]=4 23452 B13R1.613 CCN1CCCC1CNC(=O)NC 273464a_100102657272_100000211693 [0,1,0,1,0,0|2,0,0]=4 23453 B13R1.613 CCN1CCCC1CNC(=O)NC 512a_100000211693_100102657272 [0,1,0,1,0,0|2,0,0]=4 23454 B13R1.613 CCN1CCCC1CNC(=O)NC 512a_106832991638_100000211693 [0,1,0,1,0,0|2,0,0]=4 23455 B13R1.613 CNC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000737683 [0,1,0,1,0,0|2,0,0]=4 23456 B13R1.613 CNC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000737683 [0,1,0,1,0,0|2,0,0]=4 23457 B13R1.613 CNC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100012179268 [0,1,0,1,0,0|2,0,0]=4 23458 B13R1.613 COC(=O)CCN1CCCC1C#N 2230a_100000701862_100000204255 [0,1,0,1,0,0|1,0,1]=4 23459 B13R1.613 COC(=O)CCN1CCC[C@@H]1C#N 2230a_106645074975_100000204255 [0,1,0,1,0,0|1,0,1]=4 23460 B13R1.613 COC(=O)CCN1CCC[C@@H]1C#N 269982a_106645074975_100000204255 [0,1,0,1,0,0|1,0,1]=4 23461 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000204255 [0,1,0,1,0,0|1,0,0]=3 23462 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000204255 [0,1,0,1,0,0|1,0,0]=3 23463 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000742370 [0,1,0,1,0,0|1,0,0]=3 23464 B13R1.613 COC(=O)CO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000747449 [0,1,0,1,0,0|1,0,1]=4 23465 B13R1.613 COC(=O)CO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000747449 [0,1,0,1,0,0|1,0,1]=4 23466 B13R1.666 CCCCCN1CCCC(C1)OC 2230a_100000695604_100000210326 [0,1,0,1,0,0|1,0,1]=4 23467 B13R1.666 CCCCCN1CCCC(C1)OC 269982a_100000695604_100000210215 [0,1,0,1,0,0|1,0,1]=4 23468 B13R1.666 CCCCCN1CCCC(C1)OC 34a_100000695604_100000718602 [0,1,0,1,0,0|1,0,1]=4 23469 B13R1.2439 CCCCCCCN1CC(C1)OC 269982a_100000755009_100000210681 [0,1,0,1,0,0|1,0,1]=4 23470 B13R1.2439 CCCCCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000210314 [0,1,0,1,0,0|1,0,1]=4 23471 B13R1.2855 C#CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000731252 [0,1,0,1,0,0|0,0,2]=4 23472 B13R1.2855 C#CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100011215417 [0,1,0,1,0,0|0,0,2]=4 23473 B13R1.2855 C=CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011713584 [0,1,0,1,0,0|0,0,2]=4 23474 B13R1.2855 C=CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000757094 [0,1,0,1,0,0|0,0,2]=4 23475 B13R1.2855 CC/C=C\CN1CC[C@H]1C(=O)OC 2230a_102516456887_100103147603 [0,1,0,1,0,0|0,0,2]=4 23476 B13R1.2855 CC/C=C\CN1CC[C@H]1C(=O)OC 269982a_102516456887_100103147603 [0,1,0,1,0,0|0,0,2]=4 23477 B13R1.2855 CCC#CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100009813939 [0,1,0,1,0,0|0,0,2]=4 23478 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210326 [0,1,0,1,0,0|0,0,0]=2 23479 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210215 [0,1,0,1,0,0|0,0,0]=2 23480 B13R1.2855 CCOCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011215890 [0,1,0,1,0,0|1,0,0]=3 23481 B13R1.2855 CCOCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100011215890 [0,1,0,1,0,0|1,0,0]=3 23482 B13R1.2855 CCSCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000757381 [0,1,0,1,0,0|1,0,0]=3 23483 B13R1.2855 CCSCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000757381 [0,1,0,1,0,0|1,0,0]=3 23484 B13R1.2855 COC(=O)[C@@H]1CCN1CCCC#N 2230a_102516456887_100000687738 [0,1,0,1,0,0|1,0,1]=4 23485 B13R1.2855 COC(=O)[C@@H]1CCN1CCCC#N 269982a_102516456887_100000687738 [0,1,0,1,0,0|1,0,1]=4 23486 B13R1.2855 COC(=O)[C@@H]1CCN1CCCC=O 2230a_102516456887_200011292268 [0,1,0,1,0,0|1,0,1]=4 23487 B13R1.2855 COC(=O)[C@@H]1CCN1CCCC=O 269982a_102516456887_200011292268 [0,1,0,1,0,0|1,0,1]=4 23488 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCF 2230a_102516456887_100000729493 [0,1,0,1,0,0|1,0,0]=3 23489 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCF 269982a_102516456887_100000729493 [0,1,0,1,0,0|1,0,0]=3 23490 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCO 2230a_102516456887_100000210776 [0,1,0,1,0,0|1,0,0]=3 23491 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCO 269982a_102516456887_100000210776 [0,1,0,1,0,0|1,0,0]=3 23492 B13R1.2855 COCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000740836 [0,1,0,1,0,0|1,0,0]=3 23493 B13R1.2855 COCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000740836 [0,1,0,1,0,0|1,0,0]=3 23494 B13R1.2938 CCCCCCCOCC1(CO1)C 34a_100000210272_100000760498 [0,1,0,1,0,0|1,0,1]=4 23495 B13R1.2938 CCCCCCCSCC1(CO1)C 62a_100000210614_100000760498 [0,1,0,1,0,0|1,0,1]=4 23496 B13R1.2938 CCCCCCCSCC1(CO1)C 62a_100000760498_100000210316 [0,1,0,1,0,0|1,0,1]=4 23497 B13R1.89 C=C(C)C(=O)N1CCCCC1CC 11a_100000210034_100000185857 [0,1,0,1,0,0|2,0,0]=4 23498 B13R1.89 C=C(C)C(=O)N1CCCCC1CC 1626a_100000210034_100000185857 [0,1,0,1,0,0|2,0,0]=4 23499 B13R1.89 CCC1CCCCN1C(=O)C(C)C 11a_100000210034_100000210198 [0,1,0,1,0,0|2,0,0]=4 23500 B13R1.89 CCC1CCCCN1C(=O)C(C)C 1626a_100000210034_100000210198 [0,1,0,1,0,0|2,0,0]=4 23501 B13R1.89 CCC1CCCCN1C(=O)C(C)C 240690a_100000210034_100000210198 [0,1,0,1,0,0|2,0,0]=4 23502 B13R1.89 CCC1CCCCN1C(=O)C(C)C 527a_100000210034_100000210198 [0,1,0,1,0,0|2,0,0]=4 23503 B13R1.89 CCC1CCCCN1C(=O)C(C)F 11a_100000210034_100000062450 [0,1,0,1,0,0|2,0,0]=4 23504 B13R1.89 CCC1CCCCN1C(=O)C(C)F 1626a_100000210034_100000062450 [0,1,0,1,0,0|2,0,0]=4 23505 B13R1.89 CCC1CCCCN1C(=O)C(C)F 240690a_100000210034_100000062450 [0,1,0,1,0,0|2,0,0]=4 23506 B13R1.89 CCC1CCCCN1C(=O)C(C)F 527a_100000210034_100000062450 [0,1,0,1,0,0|2,0,0]=4 23507 B13R1.89 CCC1CCCCN1C(=O)[C@@H](C)O 240690a_100000210034_100000717761 [0,1,0,1,0,0|2,0,0]=4 23508 B13R1.89 CCC1CCCCN1C(=O)[C@H](C)O 1626a_100000210034_217856618621 [0,1,0,1,0,0|2,0,0]=4 23509 B13R1.89 CCC1CCCCN1C(=O)[C@H](C)O 240690a_100000210034_217856618621 [0,1,0,1,0,0|2,0,0]=4 23510 B13R1.89 CCN1CCCCC1C(=O)C(C)C 1458a_100000743832_100000210206 [0,1,0,1,0,0|2,0,0]=4 23511 B13R1.89 CCN1CCCCC1C(=O)N(C)C 11a_100102631434_100000743832 [0,1,0,1,0,0|2,0,0]=4 23512 B13R1.89 CCN1CCCCC1C(=O)N(C)C 240690a_100102631434_100000743832 [0,1,0,1,0,0|2,0,0]=4 23513 B13R1.89 CCN1CCCCC1C(=O)N(C)C 527a_100102631434_100000743832 [0,1,0,1,0,0|2,0,0]=4 23514 B13R1.169 C=C(C)C(=O)CCC1CCCN1C 1458a_100000185857_100000005710 [0,1,0,1,0,0|2,0,0]=4 23515 B13R1.169 CC(=O)C(=O)COC1CCCC1C 34a_100011216460_100011261029 [0,1,0,1,0,0|2,0,0]=4 23516 B13R1.169 CC(C)C(=O)CCC1CCCN1C 1458a_100000210198_100000005710 [0,1,0,1,0,0|2,0,0]=4 23517 B13R1.169 CC(C)C(=O)COC1CCCC1C 34a_100011216460_100000753385 [0,1,0,1,0,0|2,0,0]=4 23518 B13R1.169 CC(C)C(=O)COC1CCCC1C 7a_100011216460_100000753385 [0,1,0,1,0,0|2,0,0]=4 23519 B13R1.169 CC(F)C(=O)CCC1CCCN1C 1458a_100000062450_100000005710 [0,1,0,1,0,0|2,0,0]=4 23520 B13R1.169 CC1CCCC1OCC(=O)N(C)C 34a_100011216460_100000692301 [0,1,0,1,0,0|2,0,0]=4 23521 B13R1.169 CC1CCCC1OCC(=O)N(C)C 7a_100011216460_100000692301 [0,1,0,1,0,0|2,0,0]=4 23522 B13R1.169 C[C@@H](O)C(=O)CCC1CCCN1C 1458a_100000717761_100000005710 [0,1,0,1,0,0|2,0,0]=4 23523 B13R1.169 C[C@@H]1CCCN1CCC(=O)N(C)C 2230a_100015189458_100000737620 [0,1,0,1,0,0|2,0,0]=4 23524 B13R1.169 C[C@@H]1CCCN1CCC(=O)N(C)C 269982a_100015189458_100000737620 [0,1,0,1,0,0|2,0,0]=4 23525 B13R1.169 C[C@H](O)C(=O)CCC1CCCN1C 1458a_217856618621_100000005710 [0,1,0,1,0,0|2,0,0]=4 23526 B13R1.169 C[C@H]1CCCN1CCC(=O)N(C)C 2230a_100020605311_100000737620 [0,1,0,1,0,0|2,0,0]=4 23527 B13R1.169 C[C@H]1CCCN1CCC(=O)N(C)C 269982a_100020605311_100000737620 [0,1,0,1,0,0|2,0,0]=4 23528 B13R1.200 CC1CC1COCCC(=O)N(C)C 7a_100000744939_100000737620 [0,1,0,1,0,0|2,0,0]=4 23529 B13R1.202 C=C(C)C(=O)CC1CCCCN1C 1458a_100000185857_100015185383 [0,1,0,1,0,0|2,0,0]=4 23530 B13R1.202 C=C(C)C(=O)NC1CCCCC1C 11a_100000211402_100000185857 [0,1,0,1,0,0|2,0,0]=4 23531 B13R1.202 C=C(C)C(=O)NC1CCCCC1C 1626a_100000211402_100000185857 [0,1,0,1,0,0|2,0,0]=4 23532 B13R1.202 CC(=O)C(=O)CN1CCCCC1C 269982a_100000211376_100011261029 [0,1,0,1,0,0|2,0,0]=4 23533 B13R1.202 CC(=O)C(=O)CN1CCCCC1C 34a_100000211376_100011261029 [0,1,0,1,0,0|2,0,0]=4 23534 B13R1.202 CC(C)C(=O)CC1CCCCN1C 1458a_100000210198_100015185383 [0,1,0,1,0,0|2,0,0]=4 23535 B13R1.202 CC(C)C(=O)CN1CCCCC1C 2230a_100000211376_100000753385 [0,1,0,1,0,0|2,0,0]=4 23536 B13R1.202 CC(C)C(=O)CN1CCCCC1C 269982a_100000211376_100000753385 [0,1,0,1,0,0|2,0,0]=4 23537 B13R1.202 CC(C)C(=O)CN1CCCCC1C 34a_100000211376_100000753385 [0,1,0,1,0,0|2,0,0]=4 23538 B13R1.202 CC(C)C(=O)NC1CCCCC1C 11a_100000211402_100000210198 [0,1,0,1,0,0|2,0,0]=4 23539 B13R1.202 CC(C)C(=O)NC1CCCCC1C 1626a_100000211402_100000210198 [0,1,0,1,0,0|2,0,0]=4 23540 B13R1.202 CC(C)C(=O)NC1CCCCC1C 240690a_100000211402_100000210198 [0,1,0,1,0,0|2,0,0]=4 23541 B13R1.202 CC(C)C(=O)NC1CCCCC1C 527a_100000211402_100000210198 [0,1,0,1,0,0|2,0,0]=4 23542 B13R1.202 CC(F)C(=O)CC1CCCCN1C 1458a_100000062450_100015185383 [0,1,0,1,0,0|2,0,0]=4 23543 B13R1.202 CC(F)C(=O)NC1CCCCC1C 11a_100000211402_100000062450 [0,1,0,1,0,0|2,0,0]=4 23544 B13R1.202 CC(F)C(=O)NC1CCCCC1C 1626a_100000211402_100000062450 [0,1,0,1,0,0|2,0,0]=4 23545 B13R1.202 CC(F)C(=O)NC1CCCCC1C 240690a_100000211402_100000062450 [0,1,0,1,0,0|2,0,0]=4 23546 B13R1.202 CC(F)C(=O)NC1CCCCC1C 527a_100000211402_100000062450 [0,1,0,1,0,0|2,0,0]=4 23547 B13R1.202 CC1CCCCC1NC(=O)N(C)C 2708a_100000211402_100102631434 [0,1,0,1,0,0|2,0,0]=4 23548 B13R1.202 CC1CCCCC1NC(=O)[C@@H](C)O 240690a_100000211402_100000717761 [0,1,0,1,0,0|2,0,0]=4 23549 B13R1.202 CC1CCCCC1NC(=O)[C@H](C)O 1626a_100000211402_217856618621 [0,1,0,1,0,0|2,0,0]=4 23550 B13R1.202 CC1CCCCC1NC(=O)[C@H](C)O 240690a_100000211402_217856618621 [0,1,0,1,0,0|2,0,0]=4 23551 B13R1.202 CC1CCCCN1CC(=O)N(C)C 2230a_100000211376_100000185267 [0,1,0,1,0,0|2,0,0]=4 23552 B13R1.202 CC1CCCCN1CC(=O)N(C)C 269982a_100000211376_100000185267 [0,1,0,1,0,0|2,0,0]=4 23553 B13R1.202 CC1CCCCN1CC(=O)N(C)C 34a_100000211376_100000692301 [0,1,0,1,0,0|2,0,0]=4 23554 B13R1.202 C[C@@H](O)C(=O)CC1CCCCN1C 1458a_100000717761_100015185383 [0,1,0,1,0,0|2,0,0]=4 23555 B13R1.202 C[C@H](O)C(=O)CC1CCCCN1C 1458a_217856618621_100015185383 [0,1,0,1,0,0|2,0,0]=4 23556 B13R1.278 CC1CCN1CCCC(=O)N(C)C 269982a_100000755817_100000737642 [0,1,0,1,0,0|2,0,0]=4 23557 B13R1.351 C=C(C)C(=O)CCC1CCCCC1 1458a_100000185857_100011273959 [0,1,0,1,0,0|1,0,0]=3 23558 B13R1.351 C=C(C)C(=O)CCC1CCOCC1 1458a_100000185857_100011934994 [0,1,0,1,0,0|2,0,0]=4 23559 B13R1.351 C=C(C)C(=O)CCN1CCCCC1 1458a_100000185857_100000739454 [0,1,0,1,0,0|2,0,0]=4 23560 B13R1.351 C=C(C)C(=O)COC1CCCCC1 1458a_100000185857_100011935260 [0,1,0,1,0,0|2,0,0]=4 23561 B13R1.351 C=C(C)C(=O)NCC1CCCCC1 11a_100000210473_100000185857 [0,1,0,1,0,0|2,0,0]=4 23562 B13R1.351 C=C(C)C(=O)NCC1CCCCC1 1626a_100000210473_100000185857 [0,1,0,1,0,0|2,0,0]=4 23563 B13R1.351 CC(=O)C(=O)CNC1CCCCC1 34a_100000182618_100011261029 [0,1,0,1,0,0|2,0,0]=4 23564 B13R1.351 CC(=O)C(=O)COC1CCCCC1 34a_100000210231_100011261029 [0,1,0,1,0,0|2,0,0]=4 23565 B13R1.351 CC(=O)C(=O)CSC1CCCCC1 62a_100000210327_100011261029 [0,1,0,1,0,0|2,0,0]=4 23566 B13R1.351 CC(=O)C(=O)CSC1CCCCC1 62a_100011261029_100000210327 [0,1,0,1,0,0|2,0,0]=4 23567 B13R1.351 CC(C)C(=O)CCC1CCCCC1 1458a_100000210198_100011273959 [0,1,0,1,0,0|1,0,0]=3 23568 B13R1.351 CC(C)C(=O)CCC1CCCCC1 1458a_100000211375_100000210206 [0,1,0,1,0,0|1,0,0]=3 23569 B13R1.351 CC(C)C(=O)CCC1CCOCC1 1458a_100000210198_100011934994 [0,1,0,1,0,0|2,0,0]=4 23570 B13R1.351 CC(C)C(=O)CCN1CCCCC1 1458a_100000210198_100000739454 [0,1,0,1,0,0|2,0,0]=4 23571 B13R1.351 CC(C)C(=O)CCN1CCCCC1 1458a_100000743487_100000210206 [0,1,0,1,0,0|2,0,0]=4 23572 B13R1.351 CC(C)C(=O)CNC1CCCCC1 2230a_100000182618_100000753385 [0,1,0,1,0,0|2,0,0]=4 23573 B13R1.351 CC(C)C(=O)CNC1CCCCC1 34a_100000182618_100000753385 [0,1,0,1,0,0|2,0,0]=4 23574 B13R1.351 CC(C)C(=O)COC1CCCCC1 1458a_100000210198_100011935260 [0,1,0,1,0,0|2,0,0]=4 23575 B13R1.351 CC(C)C(=O)COC1CCCCC1 1458a_100011223303_100000210206 [0,1,0,1,0,0|2,0,0]=4 23576 B13R1.351 CC(C)C(=O)COC1CCCCC1 34a_100000210231_100000753385 [0,1,0,1,0,0|2,0,0]=4 23577 B13R1.351 CC(C)C(=O)COC1CCCCC1 7a_100000210231_100000753385 [0,1,0,1,0,0|2,0,0]=4 23578 B13R1.351 CC(C)C(=O)CSC1CCCCC1 62a_100000210327_100000753385 [0,1,0,1,0,0|2,0,0]=4 23579 B13R1.351 CC(C)C(=O)CSC1CCCCC1 62a_100000753385_100000210327 [0,1,0,1,0,0|2,0,0]=4 23580 B13R1.351 CC(C)C(=O)NCC1CCCCC1 11a_100000210473_100000210198 [0,1,0,1,0,0|2,0,0]=4 23581 B13R1.351 CC(C)C(=O)NCC1CCCCC1 1626a_100000210473_100000210198 [0,1,0,1,0,0|2,0,0]=4 23582 B13R1.351 CC(C)C(=O)NCC1CCCCC1 240690a_100000210473_100000210198 [0,1,0,1,0,0|2,0,0]=4 23583 B13R1.351 CC(C)C(=O)NCC1CCCCC1 527a_100000210473_100000210198 [0,1,0,1,0,0|2,0,0]=4 23584 B13R1.351 CC(F)C(=O)CCC1CCCCC1 1458a_100000062450_100011273959 [0,1,0,1,0,0|1,0,0]=3 23585 B13R1.351 CC(F)C(=O)CCC1CCOCC1 1458a_100000062450_100011934994 [0,1,0,1,0,0|2,0,0]=4 23586 B13R1.351 CC(F)C(=O)CCN1CCCCC1 1458a_100000062450_100000739454 [0,1,0,1,0,0|2,0,0]=4 23587 B13R1.351 CC(F)C(=O)COC1CCCCC1 1458a_100000062450_100011935260 [0,1,0,1,0,0|2,0,0]=4 23588 B13R1.351 CC(F)C(=O)NCC1CCCCC1 11a_100000210473_100000062450 [0,1,0,1,0,0|2,0,0]=4 23589 B13R1.351 CC(F)C(=O)NCC1CCCCC1 1626a_100000210473_100000062450 [0,1,0,1,0,0|2,0,0]=4 23590 B13R1.351 CC(F)C(=O)NCC1CCCCC1 240690a_100000210473_100000062450 [0,1,0,1,0,0|2,0,0]=4 23591 B13R1.351 CC(F)C(=O)NCC1CCCCC1 527a_100000210473_100000062450 [0,1,0,1,0,0|2,0,0]=4 23592 B13R1.351 CN(C)C(=O)CCC1CCCCC1 11a_100102631434_100000211375 [0,1,0,1,0,0|1,0,0]=3 23593 B13R1.351 CN(C)C(=O)CCC1CCCCC1 1626a_100102631434_100000211375 [0,1,0,1,0,0|1,0,0]=3 23594 B13R1.351 CN(C)C(=O)CCC1CCCCC1 240690a_100102631434_100000211375 [0,1,0,1,0,0|1,0,0]=3 23595 B13R1.351 CN(C)C(=O)CCC1CCCCC1 527a_100102631434_100000211375 [0,1,0,1,0,0|1,0,0]=3 23596 B13R1.351 CN(C)C(=O)CCN1CCCCC1 240690a_100102631434_100000743487 [0,1,0,1,0,0|2,0,0]=4 23597 B13R1.351 CN(C)C(=O)CNC1CCCCC1 2230a_100000182618_100000185267 [0,1,0,1,0,0|2,0,0]=4 23598 B13R1.351 CN(C)C(=O)CNC1CCCCC1 270004a_100015183351_100000210434 [0,1,0,1,0,0|2,0,0]=4 23599 B13R1.351 CN(C)C(=O)CNC1CCCCC1 34a_100000182618_100000692301 [0,1,0,1,0,0|2,0,0]=4 23600 B13R1.351 CN(C)C(=O)COC1CCCCC1 11a_100102631434_100011223303 [0,1,0,1,0,0|2,0,0]=4 23601 B13R1.351 CN(C)C(=O)COC1CCCCC1 1626a_100102631434_100011223303 [0,1,0,1,0,0|2,0,0]=4 23602 B13R1.351 CN(C)C(=O)COC1CCCCC1 240690a_100102631434_100011223303 [0,1,0,1,0,0|2,0,0]=4 23603 B13R1.351 CN(C)C(=O)COC1CCCCC1 34a_100000210231_100000692301 [0,1,0,1,0,0|2,0,0]=4 23604 B13R1.351 CN(C)C(=O)COC1CCCCC1 527a_100102631434_100011223303 [0,1,0,1,0,0|2,0,0]=4 23605 B13R1.351 CN(C)C(=O)COC1CCCCC1 7a_100000210231_100000692301 [0,1,0,1,0,0|2,0,0]=4 23606 B13R1.351 CN(C)C(=O)CSC1CCCCC1 62a_100000210327_100000692301 [0,1,0,1,0,0|2,0,0]=4 23607 B13R1.351 CN(C)C(=O)CSC1CCCCC1 62a_100000692301_100000210327 [0,1,0,1,0,0|2,0,0]=4 23608 B13R1.351 CN(C)C(=O)NCC1CCCCC1 2708a_100000210473_100102631434 [0,1,0,1,0,0|2,0,0]=4 23609 B13R1.351 C[C@@H](O)C(=O)CCC1CCCCC1 1458a_100000717761_100011273959 [0,1,0,1,0,0|1,0,0]=3 23610 B13R1.351 C[C@@H](O)C(=O)CCC1CCOCC1 1458a_100000717761_100011934994 [0,1,0,1,0,0|2,0,0]=4 23611 B13R1.351 C[C@@H](O)C(=O)CCN1CCCCC1 1458a_100000717761_100000739454 [0,1,0,1,0,0|2,0,0]=4 23612 B13R1.351 C[C@@H](O)C(=O)COC1CCCCC1 1458a_100000717761_100011935260 [0,1,0,1,0,0|2,0,0]=4 23613 B13R1.351 C[C@@H](O)C(=O)NCC1CCCCC1 240690a_100000210473_100000717761 [0,1,0,1,0,0|2,0,0]=4 23614 B13R1.351 C[C@H](O)C(=O)CCC1CCCCC1 1458a_217856618621_100011273959 [0,1,0,1,0,0|1,0,0]=3 23615 B13R1.351 C[C@H](O)C(=O)CCC1CCOCC1 1458a_217856618621_100011934994 [0,1,0,1,0,0|2,0,0]=4 23616 B13R1.351 C[C@H](O)C(=O)CCN1CCCCC1 1458a_217856618621_100000739454 [0,1,0,1,0,0|2,0,0]=4 23617 B13R1.351 C[C@H](O)C(=O)COC1CCCCC1 1458a_217856618621_100011935260 [0,1,0,1,0,0|2,0,0]=4 23618 B13R1.351 C[C@H](O)C(=O)NCC1CCCCC1 1626a_100000210473_217856618621 [0,1,0,1,0,0|2,0,0]=4 23619 B13R1.351 C[C@H](O)C(=O)NCC1CCCCC1 240690a_100000210473_217856618621 [0,1,0,1,0,0|2,0,0]=4 23620 B13R1.351 O=C(CCC1CCCCC1)C(O)O 1458a_100000233687_100011273959 [0,1,0,1,0,0|2,0,0]=4 23621 B13R1.391 CCCN1CCC[C@H]1C(=O)N(C)C 2230a_100020603401_100000210303 [0,1,0,1,0,0|2,0,0]=4 23622 B13R1.391 CCCN1CCC[C@H]1C(=O)N(C)C 34a_100020603401_100000210303 [0,1,0,1,0,0|2,0,0]=4 23623 B13R1.1110 C=C(C)C(=O)CCCC1CCCC1 1458a_100000185857_100011713738 [0,1,0,1,0,0|1,0,0]=3 23624 B13R1.1110 C=C(C)C(=O)CCCN1CCCC1 1458a_100000185857_100011445909 [0,1,0,1,0,0|2,0,0]=4 23625 B13R1.1110 C=C(C)C(=O)NCCC1CCCC1 11a_100000739158_100000185857 [0,1,0,1,0,0|2,0,0]=4 23626 B13R1.1110 C=C(C)C(=O)NCCC1CCCC1 1626a_100000739158_100000185857 [0,1,0,1,0,0|2,0,0]=4 23627 B13R1.1110 CC(=O)C(=O)CNCC1CCCC1 34a_100000737975_100011261029 [0,1,0,1,0,0|2,0,0]=4 23628 B13R1.1110 CC(=O)C(=O)COCC1CCCC1 34a_100000742336_100011261029 [0,1,0,1,0,0|2,0,0]=4 23629 B13R1.1110 CC(=O)C(=O)CSCC1CCCC1 62a_100000740388_100011261029 [0,1,0,1,0,0|2,0,0]=4 23630 B13R1.1110 CC(=O)C(=O)CSCC1CCCC1 62a_100011261029_100000740388 [0,1,0,1,0,0|2,0,0]=4 23631 B13R1.1110 CC(C)C(=O)CCCC1CCCC1 1458a_100000210198_100011713738 [0,1,0,1,0,0|1,0,0]=3 23632 B13R1.1110 CC(C)C(=O)CCCN1CCCC1 1458a_100000210198_100011445909 [0,1,0,1,0,0|2,0,0]=4 23633 B13R1.1110 CC(C)C(=O)CCCN1CCCC1 1458a_100000743284_100000210206 [0,1,0,1,0,0|2,0,0]=4 23634 B13R1.1110 CC(C)C(=O)CNCC1CCCC1 2230a_100000737975_100000753385 [0,1,0,1,0,0|2,0,0]=4 23635 B13R1.1110 CC(C)C(=O)CNCC1CCCC1 34a_100000737975_100000753385 [0,1,0,1,0,0|2,0,0]=4 23636 B13R1.1110 CC(C)C(=O)COCC1CCCC1 34a_100000742336_100000753385 [0,1,0,1,0,0|2,0,0]=4 23637 B13R1.1110 CC(C)C(=O)COCC1CCCC1 7a_100000742336_100000753385 [0,1,0,1,0,0|2,0,0]=4 23638 B13R1.1110 CC(C)C(=O)CSCC1CCCC1 62a_100000740388_100000753385 [0,1,0,1,0,0|2,0,0]=4 23639 B13R1.1110 CC(C)C(=O)CSCC1CCCC1 62a_100000753385_100000740388 [0,1,0,1,0,0|2,0,0]=4 23640 B13R1.1110 CC(C)C(=O)NCCC1CCCC1 11a_100000739158_100000210198 [0,1,0,1,0,0|2,0,0]=4 23641 B13R1.1110 CC(C)C(=O)NCCC1CCCC1 1626a_100000739158_100000210198 [0,1,0,1,0,0|2,0,0]=4 23642 B13R1.1110 CC(C)C(=O)NCCC1CCCC1 240690a_100000739158_100000210198 [0,1,0,1,0,0|2,0,0]=4 23643 B13R1.1110 CC(C)C(=O)NCCC1CCCC1 527a_100000739158_100000210198 [0,1,0,1,0,0|2,0,0]=4 23644 B13R1.1110 CC(F)C(=O)CCCC1CCCC1 1458a_100000062450_100011713738 [0,1,0,1,0,0|1,0,0]=3 23645 B13R1.1110 CC(F)C(=O)CCCN1CCCC1 1458a_100000062450_100011445909 [0,1,0,1,0,0|2,0,0]=4 23646 B13R1.1110 CC(F)C(=O)NCCC1CCCC1 11a_100000739158_100000062450 [0,1,0,1,0,0|2,0,0]=4 23647 B13R1.1110 CC(F)C(=O)NCCC1CCCC1 1626a_100000739158_100000062450 [0,1,0,1,0,0|2,0,0]=4 23648 B13R1.1110 CC(F)C(=O)NCCC1CCCC1 240690a_100000739158_100000062450 [0,1,0,1,0,0|2,0,0]=4 23649 B13R1.1110 CC(F)C(=O)NCCC1CCCC1 527a_100000739158_100000062450 [0,1,0,1,0,0|2,0,0]=4 23650 B13R1.1110 CN(C)C(=O)CCCN1CCCC1 2230a_100000188435_100000737642 [0,1,0,1,0,0|2,0,0]=4 23651 B13R1.1110 CN(C)C(=O)CCCN1CCCC1 240690a_100102631434_100000743284 [0,1,0,1,0,0|2,0,0]=4 23652 B13R1.1110 CN(C)C(=O)CCCN1CCCC1 269982a_100000188435_100000737642 [0,1,0,1,0,0|2,0,0]=4 23653 B13R1.1110 CN(C)C(=O)CCNC1CCCC1 2230a_100000211070_100000737620 [0,1,0,1,0,0|2,0,0]=4 23654 B13R1.1110 CN(C)C(=O)CCNC1CCCC1 2230a_100000738053_100000179811 [0,1,0,1,0,0|2,0,0]=4 23655 B13R1.1110 CN(C)C(=O)CCNC1CCCC1 270004a_100000738053_100000210133 [0,1,0,1,0,0|2,0,0]=4 23656 B13R1.1110 CN(C)C(=O)CCOC1CCCC1 34a_200000747469_100000179811 [0,1,0,1,0,0|2,0,0]=4 23657 B13R1.1110 CN(C)C(=O)CCOC1CCCC1 7a_100000210269_100000737620 [0,1,0,1,0,0|2,0,0]=4 23658 B13R1.1110 CN(C)C(=O)CCSC1CCCC1 62a_100000737620_100000179811 [0,1,0,1,0,0|2,0,0]=4 23659 B13R1.1110 CN(C)C(=O)CCSC1CCCC1 62a_100011217020_100000737620 [0,1,0,1,0,0|2,0,0]=4 23660 B13R1.1110 CN(C)C(=O)CNCC1CCCC1 2230a_100000737975_100000185267 [0,1,0,1,0,0|2,0,0]=4 23661 B13R1.1110 CN(C)C(=O)CNCC1CCCC1 2230a_100015183351_100000740388 [0,1,0,1,0,0|2,0,0]=4 23662 B13R1.1110 CN(C)C(=O)CNCC1CCCC1 34a_100000737975_100000692301 [0,1,0,1,0,0|2,0,0]=4 23663 B13R1.1110 CN(C)C(=O)COCC1CCCC1 34a_100000742336_100000692301 [0,1,0,1,0,0|2,0,0]=4 23664 B13R1.1110 CN(C)C(=O)COCC1CCCC1 7a_100000742336_100000692301 [0,1,0,1,0,0|2,0,0]=4 23665 B13R1.1110 CN(C)C(=O)CSCC1CCCC1 62a_100000692301_100000740388 [0,1,0,1,0,0|2,0,0]=4 23666 B13R1.1110 CN(C)C(=O)CSCC1CCCC1 62a_100000740388_100000692301 [0,1,0,1,0,0|2,0,0]=4 23667 B13R1.1110 CN(C)C(=O)NCCC1CCCC1 2708a_100000739158_100102631434 [0,1,0,1,0,0|2,0,0]=4 23668 B13R1.1110 C[C@@H](O)C(=O)CCCC1CCCC1 1458a_100000717761_100011713738 [0,1,0,1,0,0|1,0,0]=3 23669 B13R1.1110 C[C@@H](O)C(=O)CCCN1CCCC1 1458a_100000717761_100011445909 [0,1,0,1,0,0|2,0,0]=4 23670 B13R1.1110 C[C@@H](O)C(=O)NCCC1CCCC1 240690a_100000739158_100000717761 [0,1,0,1,0,0|2,0,0]=4 23671 B13R1.1110 C[C@H](O)C(=O)CCCC1CCCC1 1458a_217856618621_100011713738 [0,1,0,1,0,0|1,0,0]=3 23672 B13R1.1110 C[C@H](O)C(=O)CCCN1CCCC1 1458a_217856618621_100011445909 [0,1,0,1,0,0|2,0,0]=4 23673 B13R1.1110 C[C@H](O)C(=O)NCCC1CCCC1 1626a_100000739158_217856618621 [0,1,0,1,0,0|2,0,0]=4 23674 B13R1.1110 C[C@H](O)C(=O)NCCC1CCCC1 240690a_100000739158_217856618621 [0,1,0,1,0,0|2,0,0]=4 23675 B13R1.1110 O=C(CCCC1CCCC1)C(O)O 1458a_100000233687_100011713738 [0,1,0,1,0,0|2,0,0]=4 23676 B13R1.2801 CCC1CCCN1CC(=O)C(=O)C 269982a_100000754278_100011261029 [0,1,0,1,0,0|2,0,0]=4 23677 B13R1.2801 CCC1CCCN1CC(=O)C(=O)C 34a_100000754278_100011261029 [0,1,0,1,0,0|2,0,0]=4 23678 B13R1.2801 CCC1CCCN1CC(=O)C(C)C 2230a_100000754278_100000753385 [0,1,0,1,0,0|2,0,0]=4 23679 B13R1.2801 CCC1CCCN1CC(=O)C(C)C 269982a_100000754278_100000753385 [0,1,0,1,0,0|2,0,0]=4 23680 B13R1.2801 CCC1CCCN1CC(=O)C(C)C 34a_100000754278_100000753385 [0,1,0,1,0,0|2,0,0]=4 23681 B13R1.2801 CCC1CCCN1CC(=O)N(C)C 2230a_100000754278_100000185267 [0,1,0,1,0,0|2,0,0]=4 23682 B13R1.2801 CCC1CCCN1CC(=O)N(C)C 269982a_100000754278_100000185267 [0,1,0,1,0,0|2,0,0]=4 23683 B13R1.2801 CCC1CCCN1CC(=O)N(C)C 34a_100000754278_100000692301 [0,1,0,1,0,0|2,0,0]=4 23684 B13R1.2839 CN(C)C(=O)CCCCN1CCC1 269982a_100000754969_100000752486 [0,1,0,1,0,0|2,0,0]=4 23685 B13R1.2839 CN(C)C(=O)CCCNC1CCC1 2230a_100000749019_100000737642 [0,1,0,1,0,0|2,0,0]=4 23686 B13R1.2839 CN(C)C(=O)CCCNC1CCC1 270004a_200000744827_100000241760 [0,1,0,1,0,0|2,0,0]=4 23687 B13R1.2839 CN(C)C(=O)CCCSC1CCC1 62a_100000737642_100000749161 [0,1,0,1,0,0|2,0,0]=4 23688 B13R1.2839 CN(C)C(=O)CCNCC1CCC1 2230a_100000738053_100000763275 [0,1,0,1,0,0|2,0,0]=4 23689 B13R1.2839 CN(C)C(=O)CCNCC1CCC1 2230a_100000738700_100000737620 [0,1,0,1,0,0|2,0,0]=4 23690 B13R1.2839 CN(C)C(=O)CCNCC1CCC1 269862a_100000738053_100000753134 [0,1,0,1,0,0|2,0,0]=4 23691 B13R1.2839 CN(C)C(=O)CCOCC1CCC1 34a_200000747469_100000763275 [0,1,0,1,0,0|2,0,0]=4 23692 B13R1.2839 CN(C)C(=O)CCSCC1CCC1 62a_100000737620_100000763275 [0,1,0,1,0,0|2,0,0]=4 23693 B13R1.2839 CN(C)C(=O)CCSCC1CCC1 62a_100000763275_100000737620 [0,1,0,1,0,0|2,0,0]=4 23694 B13R1.2840 CN(C)C(=O)CCCCNC1CC1 34a_100000212008_100000752486 [0,1,0,1,0,0|2,0,0]=4 23695 B13R1.2840 CN(C)C(=O)CCCCSC1CC1 62a_100000752486_100000211595 [0,1,0,1,0,0|2,0,0]=4 23696 B13R1.2840 CN(C)C(=O)CCCNCC1CC1 2230a_100000735609_100000737642 [0,1,0,1,0,0|2,0,0]=4 23697 B13R1.2840 CN(C)C(=O)CCCNCC1CC1 2230a_200000744827_100000742324 [0,1,0,1,0,0|2,0,0]=4 23698 B13R1.2840 CN(C)C(=O)CCCNCC1CC1 269862a_200000744827_100000741477 [0,1,0,1,0,0|2,0,0]=4 23699 B13R1.2840 CN(C)C(=O)CCCSCC1CC1 62a_100000737642_100000742324 [0,1,0,1,0,0|2,0,0]=4 23700 B13R1.2840 CN(C)C(=O)CCCSCC1CC1 62a_100000756562_100000737642 [0,1,0,1,0,0|2,0,0]=4 23701 B13R1.2840 CN(C)C(=O)CCNCCC1CC1 2230a_100000738053_100000694398 [0,1,0,1,0,0|2,0,0]=4 23702 B13R1.2840 CN(C)C(=O)CCOCCC1CC1 34a_200000747469_100000694398 [0,1,0,1,0,0|2,0,0]=4 23703 B13R1.2840 CN(C)C(=O)CCOCCC1CC1 7a_100000754188_100000737620 [0,1,0,1,0,0|2,0,0]=4 23704 B13R1.2840 CN(C)C(=O)CCSCCC1CC1 62a_100000737620_100000764125 [0,1,0,1,0,0|2,0,0]=4 23705 B13R1.2840 CN(C)C(=O)CCSCCC1CC1 62a_100000764125_100000737620 [0,1,0,1,0,0|2,0,0]=4 23706 B13R1.3766 CC(C)C(=O)C1CCCCCN1C 1458a_100015187800_100000210206 [0,1,0,1,0,0|2,0,0]=4 23707 B13R1.3766 CN(C)C(=O)C1CCCCCN1C 240690a_100102631434_100015187800 [0,1,0,1,0,0|2,0,0]=4 23708 B13R1.3766 CN(C)C(=O)C1CCCCCN1C 527a_100102631434_100015187800 [0,1,0,1,0,0|2,0,0]=4 23709 B13R1.6161 C=C(C)C(=O)N1CCCCCCC1 11a_100000211400_100000185857 [0,1,0,1,0,0|2,0,0]=4 23710 B13R1.6161 C=C(C)C(=O)N1CCCCCCC1 1626a_100000211400_100000185857 [0,1,0,1,0,0|2,0,0]=4 23711 B13R1.6161 CC(C)C(=O)N1CCCCCCC1 11a_100000211400_100000210198 [0,1,0,1,0,0|2,0,0]=4 23712 B13R1.6161 CC(C)C(=O)N1CCCCCCC1 1626a_100000211400_100000210198 [0,1,0,1,0,0|2,0,0]=4 23713 B13R1.6161 CC(C)C(=O)N1CCCCCCC1 240690a_100000211400_100000210198 [0,1,0,1,0,0|2,0,0]=4 23714 B13R1.6161 CC(C)C(=O)N1CCCCCCC1 527a_100000211400_100000210198 [0,1,0,1,0,0|2,0,0]=4 23715 B13R1.6161 CC(F)C(=O)N1CCCCCCC1 11a_100000211400_100000062450 [0,1,0,1,0,0|2,0,0]=4 23716 B13R1.6161 CC(F)C(=O)N1CCCCCCC1 1626a_100000211400_100000062450 [0,1,0,1,0,0|2,0,0]=4 23717 B13R1.6161 CC(F)C(=O)N1CCCCCCC1 240690a_100000211400_100000062450 [0,1,0,1,0,0|2,0,0]=4 23718 B13R1.6161 CC(F)C(=O)N1CCCCCCC1 527a_100000211400_100000062450 [0,1,0,1,0,0|2,0,0]=4 23719 B13R1.6161 C[C@@H](O)C(=O)N1CCCCCCC1 240690a_100000211400_100000717761 [0,1,0,1,0,0|2,0,0]=4 23720 B13R1.6161 C[C@H](O)C(=O)N1CCCCCCC1 1626a_100000211400_217856618621 [0,1,0,1,0,0|2,0,0]=4 23721 B13R1.6161 C[C@H](O)C(=O)N1CCCCCCC1 240690a_100000211400_217856618621 [0,1,0,1,0,0|2,0,0]=4 23722 B13R1.6192 C=C(C)C(=O)CC1CCCCCC1 1458a_100000185857_200000696569 [0,1,0,1,0,0|1,0,0]=3 23723 B13R1.6192 C=C(C)C(=O)NC1CCCCCC1 11a_100000210984_100000185857 [0,1,0,1,0,0|2,0,0]=4 23724 B13R1.6192 C=C(C)C(=O)NC1CCCCCC1 1626a_100000210984_100000185857 [0,1,0,1,0,0|2,0,0]=4 23725 B13R1.6192 CC(=O)C(=O)CN1CCCCCC1 269982a_100000185865_100011261029 [0,1,0,1,0,0|2,0,0]=4 23726 B13R1.6192 CC(=O)C(=O)CN1CCCCCC1 34a_100000185865_100011261029 [0,1,0,1,0,0|2,0,0]=4 23727 B13R1.6192 CC(=O)C(=O)NC1CCCCCC1 1458a_100011297277_200000210301 [0,1,0,1,0,0|2,0,0]=4 23728 B13R1.6192 CC(C)C(=O)CC1CCCCCC1 1458a_100000210198_200000696569 [0,1,0,1,0,0|1,0,0]=3 23729 B13R1.6192 CC(C)C(=O)CC1CCCCCC1 1458a_100000685095_100000210206 [0,1,0,1,0,0|1,0,0]=3 23730 B13R1.6192 CC(C)C(=O)CN1CCCCCC1 1458a_100000740298_100000210206 [0,1,0,1,0,0|2,0,0]=4 23731 B13R1.6192 CC(C)C(=O)CN1CCCCCC1 2230a_100000185865_100000753385 [0,1,0,1,0,0|2,0,0]=4 23732 B13R1.6192 CC(C)C(=O)CN1CCCCCC1 269982a_100000185865_100000753385 [0,1,0,1,0,0|2,0,0]=4 23733 B13R1.6192 CC(C)C(=O)CN1CCCCCC1 34a_100000185865_100000753385 [0,1,0,1,0,0|2,0,0]=4 23734 B13R1.6192 CC(C)C(=O)NC1CCCCCC1 11a_100000210984_100000210198 [0,1,0,1,0,0|2,0,0]=4 23735 B13R1.6192 CC(C)C(=O)NC1CCCCCC1 1626a_100000210984_100000210198 [0,1,0,1,0,0|2,0,0]=4 23736 B13R1.6192 CC(C)C(=O)NC1CCCCCC1 240690a_100000210984_100000210198 [0,1,0,1,0,0|2,0,0]=4 23737 B13R1.6192 CC(C)C(=O)NC1CCCCCC1 527a_100000210984_100000210198 [0,1,0,1,0,0|2,0,0]=4 23738 B13R1.6192 CC(F)C(=O)CC1CCCCCC1 1458a_100000062450_200000696569 [0,1,0,1,0,0|1,0,0]=3 23739 B13R1.6192 CC(F)C(=O)NC1CCCCCC1 11a_100000210984_100000062450 [0,1,0,1,0,0|2,0,0]=4 23740 B13R1.6192 CC(F)C(=O)NC1CCCCCC1 1626a_100000210984_100000062450 [0,1,0,1,0,0|2,0,0]=4 23741 B13R1.6192 CC(F)C(=O)NC1CCCCCC1 240690a_100000210984_100000062450 [0,1,0,1,0,0|2,0,0]=4 23742 B13R1.6192 CC(F)C(=O)NC1CCCCCC1 527a_100000210984_100000062450 [0,1,0,1,0,0|2,0,0]=4 23743 B13R1.6192 CN(C)C(=O)CC1CCCCCC1 11a_100102631434_100000685095 [0,1,0,1,0,0|1,0,0]=3 23744 B13R1.6192 CN(C)C(=O)CC1CCCCCC1 1626a_100102631434_100000685095 [0,1,0,1,0,0|1,0,0]=3 23745 B13R1.6192 CN(C)C(=O)CC1CCCCCC1 240690a_100102631434_100000685095 [0,1,0,1,0,0|1,0,0]=3 23746 B13R1.6192 CN(C)C(=O)CC1CCCCCC1 527a_100102631434_100000685095 [0,1,0,1,0,0|1,0,0]=3 23747 B13R1.6192 CN(C)C(=O)CN1CCCCCC1 11a_100102631434_100000740298 [0,1,0,1,0,0|2,0,0]=4 23748 B13R1.6192 CN(C)C(=O)CN1CCCCCC1 2230a_100000185865_100000185267 [0,1,0,1,0,0|2,0,0]=4 23749 B13R1.6192 CN(C)C(=O)CN1CCCCCC1 240690a_100102631434_100000740298 [0,1,0,1,0,0|2,0,0]=4 23750 B13R1.6192 CN(C)C(=O)CN1CCCCCC1 269982a_100000185865_100000185267 [0,1,0,1,0,0|2,0,0]=4 23751 B13R1.6192 CN(C)C(=O)CN1CCCCCC1 34a_100000185865_100000692301 [0,1,0,1,0,0|2,0,0]=4 23752 B13R1.6192 CN(C)C(=O)CN1CCCCCC1 527a_100102631434_100000740298 [0,1,0,1,0,0|2,0,0]=4 23753 B13R1.6192 CN(C)C(=O)NC1CCCCCC1 2708a_100000210984_100102631434 [0,1,0,1,0,0|2,0,0]=4 23754 B13R1.6192 C[C@@H](O)C(=O)CC1CCCCCC1 1458a_100000717761_200000696569 [0,1,0,1,0,0|1,0,0]=3 23755 B13R1.6192 C[C@@H](O)C(=O)NC1CCCCCC1 240690a_100000210984_100000717761 [0,1,0,1,0,0|2,0,0]=4 23756 B13R1.6192 C[C@H](O)C(=O)CC1CCCCCC1 1458a_217856618621_200000696569 [0,1,0,1,0,0|1,0,0]=3 23757 B13R1.6192 C[C@H](O)C(=O)NC1CCCCCC1 1626a_100000210984_217856618621 [0,1,0,1,0,0|2,0,0]=4 23758 B13R1.6192 C[C@H](O)C(=O)NC1CCCCCC1 240690a_100000210984_217856618621 [0,1,0,1,0,0|2,0,0]=4 23759 B13R1.6192 O=C(CC1CCCCCC1)C(O)O 1458a_100000233687_200000696569 [0,1,0,1,0,0|2,0,0]=4 23760 B13R1.6192 [13CH3]C(=O)C(=O)NC1CCCCCC1 1458a_100011297277_200025704644 [0,1,0,1,0,0|2,0,0]=4 23761 B13R1.19 CCCC(C)NC1CCC(=O)NC1 2230a_100000748762_100000766640 [0,1,0,1,0,0|2,0,0]=4 23762 B13R1.19 CCCC(C)NC1CCC(=O)NC1 270004a_100000748762_100000211909 [0,1,0,1,0,0|2,0,0]=4 23763 B13R1.19 CCCC(C)NC1CCC(=O)NC1 34a_100000748762_100000766640 [0,1,0,1,0,0|2,0,0]=4 23764 B13R1.19 CCCC(C)OC1CCC(=O)CC1 34a_100000764474_100000766640 [0,1,0,1,0,0|2,0,0]=4 23765 B13R1.19 CCCC(C)OC1CCC(=O)CC1 7a_100000764474_100000766640 [0,1,0,1,0,0|2,0,0]=4 23766 B13R1.19 CCCC(C)OC1CCC(=O)NC1 34a_100000079199_100000766640 [0,1,0,1,0,0|2,0,0]=4 23767 B13R1.41 CCCC(C)CNC1CNC(=O)C1 2230a_100000697751_100011216630 [0,1,0,1,0,0|2,0,0]=4 23768 B13R1.41 CCCC(C)COC1CCC(=O)C1 34a_100012614533_100011216630 [0,1,0,1,0,0|2,0,0]=4 23769 B13R1.41 CCCC(C)COC1CNC(=O)C1 34a_100000690082_100011216630 [0,1,0,1,0,0|2,0,0]=4 23770 B13R1.41 CCCC(C)COC1COC(=O)O1 34a_100000688023_100000032252 [0,1,0,1,0,0|2,0,0]=4 23771 B13R1.41 CCCC(C)CSC1COC(=O)O1 62a_100011216630_100000032252 [0,1,0,1,0,0|2,0,0]=4 23772 B13R1.41 CCCC(C)NCC1CNC(=O)C1 2230a_100016993742_100000766640 [0,1,0,1,0,0|2,0,0]=4 23773 B13R1.41 CCCC(C)NCC1CNC(=O)C1 34a_100016993742_100000766640 [0,1,0,1,0,0|2,0,0]=4 23774 B13R1.41 CCCC(C)NC[C@H]1COC(=O)N1 2230a_100000741246_100015307671 [0,1,0,1,0,0|2,0,0]=4 23775 B13R1.41 CCCC(C)OCC1CNC(=O)C1 34a_100016041077_100000766640 [0,1,0,1,0,0|2,0,0]=4 23776 B13R1.41 CCCC(C)OCC1COC(=O)O1 34a_100000764384_100000073702 [0,1,0,1,0,0|2,0,0]=4 23777 B13R1.41 CCCC(C)OC[C@H]1COC(=O)N1 34a_100000764384_100015307671 [0,1,0,1,0,0|2,0,0]=4 23778 B13R1.41 CCCC(C)OC[C@H]1COC(=O)N1 7a_100000764384_100015307671 [0,1,0,1,0,0|2,0,0]=4 23779 B13R1.41 CCCC(C)SCC1COC(=O)O1 62a_100000073702_100000766640 [0,1,0,1,0,0|2,0,0]=4 23780 B13R1.41 CCCC(C)SCC1COC(=O)O1 62a_100000766640_100000073702 [0,1,0,1,0,0|2,0,0]=4 23781 B13R1.41 CCCC(C)SC[C@H]1COC(=O)N1 62a_100000766640_100015307671 [0,1,0,1,0,0|2,0,0]=4 23782 B13R1.41 CCCC(C)SC[C@H]1COC(=O)N1 62a_100015307671_100000766640 [0,1,0,1,0,0|2,0,0]=4 23783 B13R1.41 CCC[C@H](N)COC1COC(=O)O1 34a_100000732646_100000032252 [0,1,0,1,0,0|2,0,0]=4 23784 B13R1.1520 CCCC(=O)N1CC[C@H]1C(=O)OC 11a_102516456887_100000211992 [0,1,0,1,0,0|1,0,1]=4 23785 B13R1.1520 CCCC(=O)N1CC[C@H]1C(=O)OC 1626a_102516456887_100000211992 [0,1,0,1,0,0|1,0,1]=4 23786 B13R1.1520 CCCC(=O)N1CC[C@H]1C(=O)OC 240690a_102516456887_100000211992 [0,1,0,1,0,0|1,0,1]=4 23787 B13R1.1520 CCCC(=O)N1CC[C@H]1C(=O)OC 527a_102516456887_100000211992 [0,1,0,1,0,0|1,0,1]=4 23788 B13R1.1520 CCCC(=O)[C@H]1CC[C@H]1C(=O)OC 1458a_100009908320_100000210303 [0,1,0,1,0,0|0,0,1]=3 23789 B13R1.1520 CCCC(C)N1CC[C@H]1C(=O)OC 2230a_102516456887_100000766640 [0,1,0,1,0,0|1,0,0]=3 23790 B13R1.1520 CCCC(C)N1CC[C@H]1C(=O)OC 269982a_102516456887_100000766640 [0,1,0,1,0,0|1,0,0]=3 23791 B13R1.1520 CCCC(C)N1CC[C@H]1C(=O)OC 270004a_102516456887_100000211909 [0,1,0,1,0,0|1,0,0]=3 23792 B13R1.1520 CCNC(=O)[C@H]1CC[C@H]1C(=O)OC 11a_100015525214_100009908320 [0,1,0,1,0,0|1,0,1]=4 23793 B13R1.1520 CCNC(=O)[C@H]1CC[C@H]1C(=O)OC 240690a_100015525214_100009908320 [0,1,0,1,0,0|1,0,1]=4 23794 B13R1.1520 COC(=O)[C@@H]1CCN1C(C)CCO 2230a_102516456887_100009893172 [0,1,0,1,0,0|2,0,0]=4 23795 B13R1.1520 COC(=O)[C@@H]1CCN1C(C)CCO 269982a_102516456887_100009893172 [0,1,0,1,0,0|2,0,0]=4 23796 B13R1.1520 COC(=O)[C@@H]1CCN1C(C)CSC 270004a_102516456887_100011216314 [0,1,0,1,0,0|2,0,0]=4 23797 B13R1.1520 COC(=O)[C@@H]1CC[C@@H]1C(=O)CCF 1458a_100009908320_100011217306 [0,1,0,1,0,0|1,0,1]=4 23798 B13R1.1520 COC(=O)[C@@H]1CC[C@@H]1C(=O)CCO 1458a_100009908320_100000211926 [0,1,0,1,0,0|1,0,1]=4 23799 B13R1.1520 COCC(C)N1CC[C@H]1C(=O)OC 2230a_102516456887_100000765312 [0,1,0,1,0,0|2,0,0]=4 23800 B13R1.1520 COCC(C)N1CC[C@H]1C(=O)OC 269982a_102516456887_100000765312 [0,1,0,1,0,0|2,0,0]=4 23801 B13R1.1520 COCC(C)N1CC[C@H]1C(=O)OC 270004a_102516456887_100000749346 [0,1,0,1,0,0|2,0,0]=4 23802 B13R1.1573 CCCC(=O)CN1CC1C(=O)OC 2230a_200009830135_100000747444 [0,1,0,1,0,0|1,0,1]=4 23803 B13R1.1573 CCCC(C)CN1CC1C(=O)OC 2230a_200009830135_100011216630 [0,1,0,1,0,0|1,0,0]=3 23804 B13R1.1573 CCCC(C)CN1CC1C(=O)OC 270004a_200009830135_100000243154 [0,1,0,1,0,0|1,0,0]=3 23805 B13R1.1734 CNC(=O)CCCNC(C)C1CC1 2230a_100000700016_100000741757 [0,1,0,1,0,0|2,0,0]=4 23806 B13R1.1734 CNC(=O)CCCNC(C)C1CC1 269862a_100000740002_100000210639 [0,1,0,1,0,0|2,0,0]=4 23807 B13R1.1734 CNC(=O)CCCNC(C)C1CC1 34a_100000700016_100000741757 [0,1,0,1,0,0|2,0,0]=4 23808 B13R1.1734 CNC(=O)CCCOC(C)C1CC1 34a_100000744524_100000741757 [0,1,0,1,0,0|2,0,0]=4 23809 B13R1.1734 CNC(=O)CCCOC(C)C1CC1 7a_100000744524_100000741757 [0,1,0,1,0,0|2,0,0]=4 23810 B13R1.1734 CNC(=O)CCNCC(O)C1CC1 2230a_100000751198_100000737683 [0,1,0,1,0,0|2,0,0]=4 23811 B13R1.1734 CNC(=O)CCNCC(O)C1CC1 34a_100000751198_100012179268 [0,1,0,1,0,0|2,0,0]=4 23812 B13R1.1734 CNC(=O)CCOC[C@H](N)C1CC1 34a_100020623730_100012179268 [0,1,0,1,0,0|2,0,0]=4 23813 B13R1.1734 COC(=O)CCCCC(=O)C1CC1 1458a_100000210395_100000204269 [0,1,0,1,0,0|0,0,1]=3 23814 B13R1.1734 COC(=O)CCCCC(=O)C1CO1 1458a_100000701028_100000204269 [0,1,0,1,0,0|1,0,1]=4 23815 B13R1.1734 COC(=O)CCCCN(C)C1CC1 2230a_100000226674_100000204269 [0,1,0,1,0,0|1,0,0]=3 23816 B13R1.1734 COC(=O)CCCCN(C)C1CC1 269982a_100000226674_100000204269 [0,1,0,1,0,0|1,0,0]=3 23817 B13R1.1734 COC(=O)CCCNC(=O)C1CC1 188690a_100000184769_100000210395 [0,1,0,1,0,0|1,0,1]=4 23818 B13R1.1734 COC(=O)CCCNC(C)C1CC1 2230a_100000700016_100011218270 [0,1,0,1,0,0|1,0,0]=3 23819 B13R1.1734 COC(=O)CCCNC(C)C1CC1 34a_100000700016_100000742333 [0,1,0,1,0,0|1,0,0]=3 23820 B13R1.1734 COC(=O)CCCOC(C)C1CC1 34a_100000744524_100000742333 [0,1,0,1,0,0|1,0,0]=3 23821 B13R1.1734 COC(=O)CCCOC(C)C1CC1 7a_100000744524_100011218270 [0,1,0,1,0,0|1,0,0]=3 23822 B13R1.1734 COC(=O)CCNCC(O)C1CC1 2230a_100000751198_100000204255 [0,1,0,1,0,0|1,0,0]=3 23823 B13R1.1734 COC(=O)CCNCC(O)C1CC1 34a_100000751198_100000742370 [0,1,0,1,0,0|1,0,0]=3 23824 B13R1.1734 COC(=O)CCOCC(=O)C1CC1 34a_100000686663_100000742370 [0,1,0,1,0,0|1,0,1]=4 23825 B13R1.1734 COC(=O)CCOC[C@H](N)C1CC1 34a_100020623730_100000742370 [0,1,0,1,0,0|1,0,0]=3 23826 B13R1.1734 COC(=O)CCSCC(=O)C1CC1 62a_100000204255_100000746382 [0,1,0,1,0,0|1,0,1]=4 23827 B13R1.1734 COC(=O)CCSCC(=O)C1CC1 62a_100000746382_100000204255 [0,1,0,1,0,0|1,0,1]=4 23828 B13R1.1734 COC(=O)COCCC(=O)C1CC1 1458a_100000210395_100000090808 [0,1,0,1,0,0|1,0,1]=4 23829 B13R1.1734 COC(=O)COCCN(C)C1CC1 2230a_100000226674_100000090808 [0,1,0,1,0,0|2,0,0]=4 23830 B13R1.2031 CNC(=O)CCCNC1(CCC1)C 2230a_100000692455_100000741757 [0,1,0,1,0,0|2,0,0]=4 23831 B13R1.2031 CNC(=O)CCCNC1(CCC1)C 34a_100000692455_100000741757 [0,1,0,1,0,0|2,0,0]=4 23832 B13R1.2031 CNC(=O)CCCOC1(CCC1)C 34a_100000759064_100000741757 [0,1,0,1,0,0|2,0,0]=4 23833 B13R1.2031 CNC(=O)CCCOC1(CCC1)C 7a_100000759064_100000741757 [0,1,0,1,0,0|2,0,0]=4 23834 B13R1.2031 CNC(=O)CCNCC1(CCC1)C 2230a_100000706607_100000737683 [0,1,0,1,0,0|2,0,0]=4 23835 B13R1.2031 CNC(=O)CCNCC1(CCC1)C 2230a_100000738227_100000726658 [0,1,0,1,0,0|2,0,0]=4 23836 B13R1.2031 CNC(=O)CCNCC1(CCC1)C 34a_100000738227_100000726658 [0,1,0,1,0,0|2,0,0]=4 23837 B13R1.2031 CNC(=O)CCNCC1(CCC1)O 2230a_100000752638_100000737683 [0,1,0,1,0,0|2,0,0]=4 23838 B13R1.2031 CNC(=O)CCOCC1(CCC1)C 34a_100000754576_100000726658 [0,1,0,1,0,0|2,0,0]=4 23839 B13R1.2031 CNC(=O)CCSCC1(CCC1)C 62a_100000726658_100000737683 [0,1,0,1,0,0|2,0,0]=4 23840 B13R1.2031 CNC(=O)CCSCC1(CCC1)C 62a_100000737683_100000726658 [0,1,0,1,0,0|2,0,0]=4 23841 B13R1.2031 COC(=O)CCCNC1(CCC1)C 2230a_100000692455_100011218270 [0,1,0,1,0,0|1,0,0]=3 23842 B13R1.2031 COC(=O)CCCNC1(CCC1)C 34a_100000692455_100000742333 [0,1,0,1,0,0|1,0,0]=3 23843 B13R1.2031 COC(=O)CCCNC1(COC1)C 2230a_100000732644_100011218270 [0,1,0,1,0,0|2,0,0]=4 23844 B13R1.2031 COC(=O)CCCOC1(CCC1)C 34a_100000759064_100000742333 [0,1,0,1,0,0|1,0,0]=3 23845 B13R1.2031 COC(=O)CCCOC1(CCC1)C 7a_100000759064_100011218270 [0,1,0,1,0,0|1,0,0]=3 23846 B13R1.2031 COC(=O)CCCOC1(CSC1)C 7a_100016018533_100011218270 [0,1,0,1,0,0|2,0,0]=4 23847 B13R1.2031 COC(=O)CCNCC1(CCC1)C 2230a_100000706607_100000204255 [0,1,0,1,0,0|1,0,0]=3 23848 B13R1.2031 COC(=O)CCNCC1(CCC1)O 2230a_100000752638_100000204255 [0,1,0,1,0,0|1,0,0]=3 23849 B13R1.2031 COC(=O)CCNCC1(COC1)C 2230a_100020631278_100000204255 [0,1,0,1,0,0|2,0,0]=4 23850 B13R1.2031 COC(=O)CCNCC1(COC1)O 2230a_100010264505_100000204255 [0,1,0,1,0,0|2,0,0]=4 23851 B13R1.2031 COC(=O)CCOCC1(CSC1)C 34a_100000732658_100000742370 [0,1,0,1,0,0|2,0,0]=4 23852 B13R1.2031 COC(=O)CCOCC1(CSC1)C 7a_100000732658_100000204255 [0,1,0,1,0,0|2,0,0]=4 23853 B13R1.2031 COC(=O)CCSCC1(CCC1)C 62a_100000204255_100000726658 [0,1,0,1,0,0|1,0,0]=3 23854 B13R1.2031 COC(=O)CCSCC1(CCC1)C 62a_100000726658_100000204255 [0,1,0,1,0,0|1,0,0]=3 23855 B13R1.2031 COC(=O)CCSCC1(COC1)C 62a_100000204255_100009817586 [0,1,0,1,0,0|2,0,0]=4 23856 B13R1.2031 COC(=O)CCSCC1(COC1)C 62a_100009817586_100000204255 [0,1,0,1,0,0|2,0,0]=4 23857 B13R1.2031 COC(=O)OCSCC1(CCC1)C 62a_100000726658_100000139417 [0,1,0,1,0,0|2,0,0]=4 23858 B13R1.2679 COC(=O)CN1CCN(C[C@@H]1C)C 2230a_100012002466_100000747449 [0,1,0,1,0,0|2,0,0]=4 23859 B13R1.2679 COC(=O)CN1CCN(C[C@@H]1C)C 269982a_100012002466_100000747449 [0,1,0,1,0,0|2,0,0]=4 23860 B13R2.527 O=C1CCC(CC1)COC2CC2 34a_100000062911_100000211595 [0,0,0,2,0,0|2,0,0]=4 23861 B13R2.527 O=C1CCC(CC1)OCC2CC2 34a_100000764474_100000742324 [0,0,0,2,0,0|2,0,0]=4 23862 B13R2.527 O=C1CCC(CC1)OCC2CC2 7a_100000764474_100000742324 [0,0,0,2,0,0|2,0,0]=4 23863 B13R2.527 O=C1CCC(CN1)NCC2CC2 2230a_100000748762_100000742324 [0,0,0,2,0,0|2,0,0]=4 23864 B13R2.527 O=C1CCC(CN1)NCC2CC2 269862a_100000748762_100000741477 [0,0,0,2,0,0|2,0,0]=4 23865 B13R2.527 O=C1CCC(CN1)NCC2CC2 34a_100000748762_100000742324 [0,0,0,2,0,0|2,0,0]=4 23866 B13R2.527 O=C1CCC(CN1)OCC2CC2 34a_100000079199_100000742324 [0,0,0,2,0,0|2,0,0]=4 23867 B13R2.1069 O=C1CCC(CC1)OC2CCC2 34a_100000764474_100000749161 [0,0,0,2,0,0|2,0,0]=4 23868 B13R2.1069 O=C1CCC(CN1)NC2CCC2 270004a_100000748762_100000241760 [0,0,0,2,0,0|2,0,0]=4 23869 B13R2.1069 O=C1CCC(CN1)NC2CCC2 34a_100000748762_100000749161 [0,0,0,2,0,0|2,0,0]=4 23870 B13R2.1069 O=C1CCC(CN1)OC2CCC2 34a_100000079199_100000749161 [0,0,0,2,0,0|2,0,0]=4 23871 B13R2.142 O=C1CC(CN1)NC2CCCC2 2230a_100000697751_100000179811 [0,0,0,2,0,0|2,0,0]=4 23872 B13R2.142 O=C1CC(CN1)OC2CCCC2 34a_100000690082_100000179811 [0,0,0,2,0,0|2,0,0]=4 23873 B13R2.142 O=C1CCC(C1)OC2CCCC2 34a_100012614533_100000179811 [0,0,0,2,0,0|2,0,0]=4 23874 B13R2.142 O=C1CN(CN1)CC2CCCC2 2230a_200000708111_100000740388 [0,0,0,2,0,0|2,0,0]=4 23875 B13R2.142 O=C1N[C@H](CO1)CN2CCCC2 2230a_100000188435_100015307671 [0,0,0,2,0,0|2,0,0]=4 23876 B13R2.142 O=C1N[C@H](CO1)CN2CCCC2 269982a_100000188435_100015307671 [0,0,0,2,0,0|2,0,0]=4 23877 B13R2.142 O=C1OCC(O1)CN2CCCC2 269982a_100000188435_100000073702 [0,0,0,2,0,0|2,0,0]=4 23878 B13R2.142 O=C1OCC(O1)NC2CCCC2 34a_100000211070_100000032252 [0,0,0,2,0,0|2,0,0]=4 23879 B13R2.142 O=C1OCC(O1)OC2CCCC2 34a_100000210269_100000032252 [0,0,0,2,0,0|2,0,0]=4 23880 B13R2.142 O=C1OCC(O1)SC2CCCC2 62a_100011217020_100000032252 [0,0,0,2,0,0|2,0,0]=4 23881 B13R2.143 CC1CC1COC2COC(=O)O2 34a_100000744939_100000032252 [0,0,0,2,0,0|2,0,0]=4 23882 B13R2.144 C[C@@H]1CCCN1C2COC(=O)O2 34a_100015189458_100000032252 [0,0,0,2,0,0|2,0,0]=4 23883 B13R2.145 CC1CCN1CC2COC(=O)O2 269982a_100000755817_100000073702 [0,0,0,2,0,0|2,0,0]=4 23884 B13R2.145 CC1CCN1CC2COC(=O)O2 34a_100000755817_100000073702 [0,0,0,2,0,0|2,0,0]=4 23885 B13R2.145 CC1CCN1C[C@H]2COC(=O)N2 269982a_100000755817_100015307671 [0,0,0,2,0,0|2,0,0]=4 23886 B13R2.145 CC1CCN1C[C@H]2COC(=O)N2 34a_100000755817_100015307671 [0,0,0,2,0,0|2,0,0]=4 23887 B13R2.2973 O=C1CC(CN1)CNCC2CC2 2230a_100016993742_100000742324 [0,0,0,2,0,0|2,0,0]=4 23888 B13R2.2973 O=C1CC(CN1)CNCC2CC2 269862a_100016993742_100000741477 [0,0,0,2,0,0|2,0,0]=4 23889 B13R2.2973 O=C1CC(CN1)CNCC2CC2 34a_100016993742_100000742324 [0,0,0,2,0,0|2,0,0]=4 23890 B13R2.2973 O=C1CC(CN1)COCC2CC2 34a_100016041077_100000742324 [0,0,0,2,0,0|2,0,0]=4 23891 B13R2.2973 O=C1CC(CN1)NCCC2CC2 2230a_100000697751_100000694398 [0,0,0,2,0,0|2,0,0]=4 23892 B13R2.2973 O=C1CC(CN1)OCCC2CC2 34a_100000690082_100000694398 [0,0,0,2,0,0|2,0,0]=4 23893 B13R2.2973 O=C1CCC(C1)OCCC2CC2 34a_100012614533_100000694398 [0,0,0,2,0,0|2,0,0]=4 23894 B13R2.2973 O=C1N[C@H](CO1)CNCC2CC2 2230a_100000735609_100015307671 [0,0,0,2,0,0|2,0,0]=4 23895 B13R2.2973 O=C1N[C@H](CO1)CNCC2CC2 34a_100000735609_100015307671 [0,0,0,2,0,0|2,0,0]=4 23896 B13R2.2973 O=C1N[C@H](CO1)COCC2CC2 34a_100000211283_100015307671 [0,0,0,2,0,0|2,0,0]=4 23897 B13R2.2973 O=C1N[C@H](CO1)CSCC2CC2 62a_100000756562_100015307671 [0,0,0,2,0,0|2,0,0]=4 23898 B13R2.2973 O=C1N[C@H](CO1)CSCC2CC2 62a_100015307671_100000742324 [0,0,0,2,0,0|2,0,0]=4 23899 B13R2.2973 O=C1OCC(O1)CNCC2CC2 34a_100000735609_100000073702 [0,0,0,2,0,0|2,0,0]=4 23900 B13R2.2973 O=C1OCC(O1)COCC2CC2 34a_100000211283_100000073702 [0,0,0,2,0,0|2,0,0]=4 23901 B13R2.2973 O=C1OCC(O1)CSCC2CC2 62a_100000073702_100000742324 [0,0,0,2,0,0|2,0,0]=4 23902 B13R2.2973 O=C1OCC(O1)CSCC2CC2 62a_100000756562_100000073702 [0,0,0,2,0,0|2,0,0]=4 23903 B13R2.2973 O=C1OCC(O1)NCCC2CC2 34a_100000764129_100000032252 [0,0,0,2,0,0|2,0,0]=4 23904 B13R2.2973 O=C1OCC(O1)OCCC2CC2 34a_100000754188_100000032252 [0,0,0,2,0,0|2,0,0]=4 23905 B13R2.2973 O=C1OCC(O1)SCCC2CC2 62a_100000764125_100000032252 [0,0,0,2,0,0|2,0,0]=4 23906 B13R2.2974 O=C1CC(CN1)CNC2CCC2 34a_100016993742_100000749161 [0,0,0,2,0,0|2,0,0]=4 23907 B13R2.2974 O=C1CC(CN1)COC2CCC2 34a_100016041077_100000749161 [0,0,0,2,0,0|2,0,0]=4 23908 B13R2.2974 O=C1CC(CN1)NCC2CCC2 2230a_100000697751_100000763275 [0,0,0,2,0,0|2,0,0]=4 23909 B13R2.2974 O=C1CC(CN1)NCC2CCC2 269862a_100000697751_100000753134 [0,0,0,2,0,0|2,0,0]=4 23910 B13R2.2974 O=C1CC(CN1)OCC2CCC2 34a_100000690082_100000763275 [0,0,0,2,0,0|2,0,0]=4 23911 B13R2.2974 O=C1CCC(C1)OCC2CCC2 34a_100012614533_100000763275 [0,0,0,2,0,0|2,0,0]=4 23912 B13R2.2974 O=C1N[C@H](CO1)CNC2CCC2 2230a_100000749019_100015307671 [0,0,0,2,0,0|2,0,0]=4 23913 B13R2.2974 O=C1N[C@H](CO1)CNC2CCC2 34a_100000749019_100015307671 [0,0,0,2,0,0|2,0,0]=4 23914 B13R2.2974 O=C1N[C@H](CO1)COC2CCC2 34a_100000748187_100015307671 [0,0,0,2,0,0|2,0,0]=4 23915 B13R2.2974 O=C1N[C@H](CO1)CSC2CCC2 62a_100015307671_100000749161 [0,0,0,2,0,0|2,0,0]=4 23916 B13R2.2974 O=C1OCC(O1)CNC2CCC2 34a_100000749019_100000073702 [0,0,0,2,0,0|2,0,0]=4 23917 B13R2.2974 O=C1OCC(O1)COC2CCC2 34a_100000748187_100000073702 [0,0,0,2,0,0|2,0,0]=4 23918 B13R2.2974 O=C1OCC(O1)CSC2CCC2 62a_100000073702_100000749161 [0,0,0,2,0,0|2,0,0]=4 23919 B13R2.2974 O=C1OCC(O1)NCC2CCC2 34a_100000738700_100000032252 [0,0,0,2,0,0|2,0,0]=4 23920 B13R2.2974 O=C1OCC(O1)OCC2CCC2 34a_100000760304_100000032252 [0,0,0,2,0,0|2,0,0]=4 23921 B13R2.2974 O=C1OCC(O1)SCC2CCC2 62a_100000763275_100000032252 [0,0,0,2,0,0|2,0,0]=4 23922 B13R2.27 O=C1CCC1NC2CCCCC2 34a_100000182618_100009892977 [0,0,0,2,0,0|2,0,0]=4 23923 B13R2.27 O=C1CCC1OC2CCCCC2 34a_100000210231_100009892977 [0,0,0,2,0,0|2,0,0]=4 23924 B13R2.27 O=C1CCC1OC2CCCCC2 7a_100000210231_100009892977 [0,0,0,2,0,0|2,0,0]=4 23925 B13R2.27 O=C1CCC1SC2CCCCC2 62a_100000210327_100009892977 [0,0,0,2,0,0|2,0,0]=4 23926 B13R2.27 O=C1CCC1SC2CCCCC2 62a_100009892977_100000210327 [0,0,0,2,0,0|2,0,0]=4 23927 B13R2.57 COC1CCC2CCCCC2C1 34a_100000211317_200000210301 [0,0,0,2,0,0|1,0,1]=4 23928 B13R2.57 COC1CCC2CCCCC2C1 7a_100000211317_200000210301 [0,0,0,2,0,0|1,0,1]=4 23929 B13R2.57 [13CH3]OC1CCC2CCCCC2C1 34a_100000211317_200025704644 [0,0,0,2,0,0|1,0,1]=4 23930 B13R2.57 [13CH3]OC1CCC2CCCCC2C1 7a_100000211317_200025704644 [0,0,0,2,0,0|1,0,1]=4 23931 B13R2.528 CCC(=O)C1CC12CCOCC2 1458a_100000766831_100000210202 [0,0,0,2,0,0|2,0,0]=4 23932 B13R2.528 CNC(=O)C1CC12CCOCC2 11a_106832991635_100000766831 [0,0,0,2,0,0|2,0,0]=4 23933 B13R2.528 CNC(=O)C1CC12CCOCC2 1626a_100102657272_100000766831 [0,0,0,2,0,0|2,0,0]=4 23934 B13R2.528 CNC(=O)C1CC12CCOCC2 240690a_100102657272_100000766831 [0,0,0,2,0,0|2,0,0]=4 23935 B13R2.528 CNC(=O)C1CC12CCOCC2 527a_100102657272_100000766831 [0,0,0,2,0,0|2,0,0]=4 23936 B13R2.1106 CCC(=O)CN1C2CCC1CC2 269982a_100000735658_100000747405 [0,0,0,2,0,0|2,0,0]=4 23937 B13R2.1106 CNC(=O)CN1C2CCC1CC2 2230a_100000735658_100000183359 [0,0,0,2,0,0|2,0,0]=4 23938 B13R2.1106 CNC(=O)CN1C2CCC1CC2 269982a_100000735658_100000183359 [0,0,0,2,0,0|2,0,0]=4 23939 B13R2.1106 CNC(=O)CN1C2CCC1CC2 34a_100000735658_100000183359 [0,0,0,2,0,0|2,0,0]=4 23940 B13R2.1106 COC(=O)CN1C2CCC1CC2 2230a_100000735658_100000747449 [0,0,0,2,0,0|1,0,0]=3 23941 B13R2.1106 COC(=O)CN1C2CCC1CC2 269982a_100000735658_100000747449 [0,0,0,2,0,0|1,0,0]=3 23942 B13R2.1106 COC(=O)CN1C2CCC1CC2 34a_100000735658_100000747449 [0,0,0,2,0,0|1,0,0]=3 23943 B13R2.1125 COC(=O)CNC1C2C1COC2 2230a_100000702821_100000747449 [0,0,0,2,0,0|2,0,0]=4 23944 B13R2.1125 COC(=O)CNC1C2C1COC2 34a_100000702821_100000747449 [0,0,0,2,0,0|2,0,0]=4 23945 B13R2.1132 CNC(=O)CCN1CC2CC2C1 2230a_100000741873_100000737683 [0,0,0,2,0,0|2,0,0]=4 23946 B13R2.1132 CNC(=O)CCN1CC2CC2C1 269982a_100000741873_100000737683 [0,0,0,2,0,0|2,0,0]=4 23947 B13R2.1132 CNC(=O)CCN1CC2CC2C1 34a_100000741873_100012179268 [0,0,0,2,0,0|2,0,0]=4 23948 B13R2.1132 CNC(=O)CNC1CC2CC2C1 270004a_100000693194_100010340937 [0,0,0,2,0,0|2,0,0]=4 23949 B13R2.1132 COC(=O)CCN1CC2CC2C1 2230a_100000741873_100000204255 [0,0,0,2,0,0|1,0,0]=3 23950 B13R2.1132 COC(=O)CCN1CC2CC2C1 269982a_100000741873_100000204255 [0,0,0,2,0,0|1,0,0]=3 23951 B13R2.1132 COC(=O)CCN1CC2CC2C1 34a_100000741873_100000742370 [0,0,0,2,0,0|1,0,0]=3 23952 B13R2.1153 CCC(=O)C1CC2CCN1CC2 1458a_100102578056_100000210202 [0,0,0,2,0,0|2,0,0]=4 23953 B13R2.1153 CCC(=O)N1CC2CCC1CC2 11a_100000750499_100000210414 [0,0,0,2,0,0|2,0,0]=4 23954 B13R2.1153 CCC(=O)N1CC2CCC1CC2 1626a_100000750499_100000210414 [0,0,0,2,0,0|2,0,0]=4 23955 B13R2.1153 CCC(=O)N1CC2CCC1CC2 240690a_100000750499_100000210414 [0,0,0,2,0,0|2,0,0]=4 23956 B13R2.1153 CCC(=O)N1CC2CCC1CC2 527a_100000750499_100000210414 [0,0,0,2,0,0|2,0,0]=4 23957 B13R2.1153 CNC(=O)C1CC2CCN1CC2 240690a_100102657272_100102578056 [0,0,0,2,0,0|2,0,0]=4 23958 B13R2.1153 CNC(=O)C1CC2CCN1CC2 527a_100102657272_100102578056 [0,0,0,2,0,0|2,0,0]=4 23959 B13R2.1153 CNC(=O)C1CN2CCC1CC2 11a_106832991635_100000724783 [0,0,0,2,0,0|2,0,0]=4 23960 B13R2.1153 CNC(=O)C1CN2CCC1CC2 240690a_100102657272_100000724783 [0,0,0,2,0,0|2,0,0]=4 23961 B13R2.1153 CNC(=O)N1CC2CCC1CC2 2708a_100102657272_100000750499 [0,0,0,2,0,0|2,0,0]=4 23962 B13R2.1153 CNC(=O)N1CC2CCC1CC2 273464a_100102657272_100000750499 [0,0,0,2,0,0|2,0,0]=4 23963 B13R2.1304 CNC(=O)CNC1CCC2C1C2 269862a_100000693194_100000692480 [0,0,0,2,0,0|2,0,0]=4 23964 B13R2.1304 CNC(=O)CNC1CCC2C1C2 270004a_100000693194_100000692480 [0,0,0,2,0,0|2,0,0]=4 23965 B13R2.1304 CNC(=O)COC1CCC2C1C2 34a_200012295571_100000183359 [0,0,0,2,0,0|2,0,0]=4 23966 B13R2.1304 COC(=O)COC1CCC2C1C2 34a_200012295571_100000747449 [0,0,0,2,0,0|1,0,0]=3 23967 B13R2.1613 COC1CCCC2C1CCCC2 34a_100000042559_200000210301 [0,0,0,2,0,0|1,0,1]=4 23968 B13R2.1613 COC1CCCC2C1CCCC2 7a_100000042559_200000210301 [0,0,0,2,0,0|1,0,1]=4 23969 B13R2.1613 [13CH3]OC1CCCC2C1CCCC2 34a_100000042559_200025704644 [0,0,0,2,0,0|1,0,1]=4 23970 B13R2.1613 [13CH3]OC1CCCC2C1CCCC2 7a_100000042559_200025704644 [0,0,0,2,0,0|1,0,1]=4 23971 B13R2.105 CCC1CCCN1C2CCC2=O 269982a_100000754278_100009892977 [0,0,0,2,0,0|2,0,0]=4 23972 B13R2.105 CCC1CCCN1C2CCC2=O 34a_100000754278_100009892977 [0,0,0,2,0,0|2,0,0]=4 23973 B13R2.1458 CCN1CC2CC1C2C(=O)OC 2230a_200010453038_100000210202 [0,0,0,2,0,0|1,0,0]=3 23974 B13R2.1458 CCN1CC2CC1C2C(=O)OC 269982a_200010453038_100000204670 [0,0,0,2,0,0|1,0,0]=3 23975 B13R2.1458 CCN1CC2CC1C2C(=O)OC 34a_200010453038_100000210202 [0,0,0,2,0,0|1,0,0]=3 23976 B13R2.1458 COC(=O)C1C2CC1N(C2)CF 269982a_200010453038_100015361967 [0,0,0,2,0,0|2,0,0]=4 23977 B13R2.1458 COC(=O)C1C2CC1N(C2)CF 34a_200010453038_100015361967 [0,0,0,2,0,0|2,0,0]=4 23978 B13R2.2400 CCC(=O)CN1CCCC12CC2 269982a_100020620911_100000747405 [0,0,0,2,0,0|2,0,0]=4 23979 B13R2.2400 CNC(=O)CN1CCCC12CC2 2230a_100020620911_100000183359 [0,0,0,2,0,0|2,0,0]=4 23980 B13R2.2400 CNC(=O)CN1CCCC12CC2 269982a_100020620911_100000183359 [0,0,0,2,0,0|2,0,0]=4 23981 B13R2.2400 CNC(=O)CN1CCCC12CC2 34a_100020620911_100000183359 [0,0,0,2,0,0|2,0,0]=4 23982 B13R2.2400 COC(=O)CN1CCCC12CC2 2230a_100020620911_100000747449 [0,0,0,2,0,0|1,0,0]=3 23983 B13R2.2400 COC(=O)CN1CCCC12CC2 269982a_100020620911_100000747449 [0,0,0,2,0,0|1,0,0]=3 23984 B13R2.2400 COC(=O)CN1CCCC12CC2 34a_100020620911_100000747449 [0,0,0,2,0,0|1,0,0]=3 23985 B13R2.6859 CCC(=O)CC1CC2CCC1C2 1458a_100000211222_100000210202 [0,0,0,2,0,0|1,0,0]=3 23986 B13R2.6859 CCC(=O)CN1CC2CCC1C2 269982a_100000743476_100000747405 [0,0,0,2,0,0|2,0,0]=4 23987 B13R2.6859 CCC(=O)NC1CC2CCC1C2 11a_100000758229_100000210414 [0,0,0,2,0,0|2,0,0]=4 23988 B13R2.6859 CCC(=O)NC1CC2CCC1C2 1626a_100000758229_100000210414 [0,0,0,2,0,0|2,0,0]=4 23989 B13R2.6859 CCC(=O)NC1CC2CCC1C2 240690a_100000758229_100000210414 [0,0,0,2,0,0|2,0,0]=4 23990 B13R2.6859 CCC(=O)NC1CC2CCC1C2 527a_100000758229_100000210414 [0,0,0,2,0,0|2,0,0]=4 23991 B13R2.6859 CNC(=O)CC1CC2CCC1C2 11a_106832991635_100000211222 [0,0,0,2,0,0|1,0,0]=3 23992 B13R2.6859 CNC(=O)CC1CC2CCC1C2 1626a_100102657272_100000211222 [0,0,0,2,0,0|1,0,0]=3 23993 B13R2.6859 CNC(=O)CC1CC2CCC1C2 240690a_100102657272_100000211222 [0,0,0,2,0,0|1,0,0]=3 23994 B13R2.6859 CNC(=O)CC1CC2CCC1C2 527a_100102657272_100000211222 [0,0,0,2,0,0|1,0,0]=3 23995 B13R2.6859 CNC(=O)CN1CC2CCC1C2 1626a_100102657272_100138531875 [0,0,0,2,0,0|2,0,0]=4 23996 B13R2.6859 CNC(=O)CN1CC2CCC1C2 2230a_100000743476_100000183359 [0,0,0,2,0,0|2,0,0]=4 23997 B13R2.6859 CNC(=O)CN1CC2CCC1C2 240690a_100102657272_100138531875 [0,0,0,2,0,0|2,0,0]=4 23998 B13R2.6859 CNC(=O)CN1CC2CCC1C2 269982a_100000743476_100000183359 [0,0,0,2,0,0|2,0,0]=4 23999 B13R2.6859 CNC(=O)CN1CC2CCC1C2 34a_100000743476_100000183359 [0,0,0,2,0,0|2,0,0]=4 24000 B13R2.6859 CNC(=O)NC1CC2CCC1C2 2708a_100000758229_106832991635 [0,0,0,2,0,0|2,0,0]=4 24001 B13R2.6859 CNC(=O)NC1CC2CCC1C2 2708a_100102657272_100000758229 [0,0,0,2,0,0|2,0,0]=4 24002 B13R2.6859 CNC(=O)NC1CC2CCC1C2 273464a_100000758229_100102657272 [0,0,0,2,0,0|2,0,0]=4 24003 B13R2.6859 CNC(=O)NC1CC2CCC1C2 273464a_100102657272_100000758229 [0,0,0,2,0,0|2,0,0]=4 24004 B13R2.6859 CNC(=O)NC1CC2CCC1C2 512a_100000758229_100102657272 [0,0,0,2,0,0|2,0,0]=4 24005 B13R2.6859 CNC(=O)NC1CC2CCC1C2 512a_106832991638_100000758229 [0,0,0,2,0,0|2,0,0]=4 24006 B13R2.6859 COC(=O)CN1CC2CCC1C2 2230a_100000743476_100000747449 [0,0,0,2,0,0|1,0,0]=3 24007 B13R2.6859 COC(=O)CN1CC2CCC1C2 269982a_100000743476_100000747449 [0,0,0,2,0,0|1,0,0]=3 24008 B13R2.6859 COC(=O)CN1CC2CCC1C2 34a_100000743476_100000747449 [0,0,0,2,0,0|1,0,0]=3 24009 B13R2.6859 COC(=O)CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000747449 [0,0,0,2,0,0|2,0,0]=4 24010 B13R2.6859 COC(=O)CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000747449 [0,0,0,2,0,0|2,0,0]=4 24011 B13R2.6859 COC(=O)CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000747449 [0,0,0,2,0,0|2,0,0]=4 24012 B13R2.6859 O=C(CF)CC1CC2CCC1C2 1458a_100000211222_100015361967 [0,0,0,2,0,0|2,0,0]=4 24013 B13R2.15199 COC(=O)CN1CCC12COC2 2230a_100015204706_100000747449 [0,0,0,2,0,0|2,0,0]=4 24014 B13R2.15199 COC(=O)CN1CCC12COC2 269982a_100015204706_100000747449 [0,0,0,2,0,0|2,0,0]=4 24015 B13R2.4894 O=C1CCC1CCNC2CCC2 2230a_100000749019_200016118888 [0,0,0,2,0,0|2,0,0]=4 24016 B13R2.4894 O=C1CCC1CCSC2CCC2 62a_200016118888_100000749161 [0,0,0,2,0,0|2,0,0]=4 24017 B13R2.1079 CCC(=O)N1CCCC1C2CC2 11a_200000757794_100000210414 [0,0,0,2,0,0|2,0,0]=4 24018 B13R2.1079 CCC(=O)N1CCCC1C2CC2 1626a_200000757794_100000210414 [0,0,0,2,0,0|2,0,0]=4 24019 B13R2.1079 CCC(=O)N1CCCC1C2CC2 240690a_200000757794_100000210414 [0,0,0,2,0,0|2,0,0]=4 24020 B13R2.1079 CCC(=O)N1CCCC1C2CC2 527a_200000757794_100000210414 [0,0,0,2,0,0|2,0,0]=4 24021 B13R2.1079 CNC(=O)N1CCCC1C2CC2 2708a_100102657272_200000757794 [0,0,0,2,0,0|2,0,0]=4 24022 B13R2.1079 CNC(=O)N1CCCC1C2CC2 273464a_100102657272_200000757794 [0,0,0,2,0,0|2,0,0]=4 24023 B13R2.1079 CNC(=O)[C@@H]1CCCN1C2CC2 269982a_100015185040_100000211595 [0,0,0,2,0,0|2,0,0]=4 24024 B13R2.1079 CNC(=O)[C@@H]1CCCN1C2CC2 34a_100015185040_100000211595 [0,0,0,2,0,0|2,0,0]=4 24025 B13R2.1079 COC(=O)C1CSCN1C2CC2 269982a_200000724679_100000211595 [0,0,0,2,0,0|2,0,0]=4 24026 B13R2.1079 COC(=O)C1SCCN1C2CC2 269982a_100015296106_100000211595 [0,0,0,2,0,0|2,0,0]=4 24027 B13R2.1079 COC(=O)[C@@H]1CCCN1C2CC2 269982a_100000752040_100000211595 [0,0,0,2,0,0|1,0,0]=3 24028 B13R2.1092 COC(=O)[C@@H]1CCN1CC2CC2 2230a_102516456887_100000742324 [0,0,0,2,0,0|1,0,0]=3 24029 B13R2.1092 COC(=O)[C@@H]1CCN1CC2CC2 269982a_102516456887_100000756562 [0,0,0,2,0,0|1,0,0]=3 24030 B13R2.1092 COC(=O)[C@@H]1CCN1CC2CO2 2230a_102516456887_100011216344 [0,0,0,2,0,0|2,0,0]=4 24031 B13R2.1092 COC(=O)[C@@H]1CCN1CC2CO2 269982a_102516456887_102125554688 [0,0,0,2,0,0|2,0,0]=4 24032 B13R2.1092 COC(=O)[C@@H]1CCN1CC2CS2 269982a_102516456887_100000031435 [0,0,0,2,0,0|2,0,0]=4 24033 B13R2.1092 COC(=O)[C@@H]1CCN1C[C@@H]2CO2 269982a_102516456887_100000745022 [0,0,0,2,0,0|2,0,0]=4 24034 B13R2.15277 COC(=O)[C@@H]1CCN1C2CCC2 269982a_102516456887_100000749161 [0,0,0,2,0,0|1,0,0]=3 24035 B13R2.15277 COC(=O)[C@@H]1CCN1C2CCC2 270004a_102516456887_100000241760 [0,0,0,2,0,0|1,0,0]=3 24036 B13R2.15277 COC(=O)[C@@H]1CCN1C2COC2 269982a_102516456887_100000687716 [0,0,0,2,0,0|2,0,0]=4 24037 B13R2.360 CC1CCCC1OC2CCC2=O 34a_100011216460_100009892977 [0,0,0,2,0,0|2,0,0]=4 24038 B13R2.360 CC1CCCC1OC2CCC2=O 7a_100011216460_100009892977 [0,0,0,2,0,0|2,0,0]=4 24039 B13R2.531 CCC(=O)N1C[C@H]2CCC[C@H]2C1 1626a_100102946302_100000210414 [0,0,0,2,0,0|2,0,0]=4 24040 B13R2.531 CCC(=O)N1C[C@H]2CCC[C@H]2C1 240690a_100102946302_100000210414 [0,0,0,2,0,0|2,0,0]=4 24041 B13R2.531 CNC(=O)N1C[C@H]2CCC[C@H]2C1 2708a_100102657272_100102946302 [0,0,0,2,0,0|2,0,0]=4 24042 B13R2.531 CNC(=O)N1C[C@H]2CCC[C@H]2C1 273464a_100102657272_100102946302 [0,0,0,2,0,0|2,0,0]=4 24043 B13R2.15050 COC(=O)C1CN1CC2CCC2 2230a_200009830135_100000763275 [0,0,0,2,0,0|1,0,0]=3 24044 B13R2.15050 COC(=O)C1CN1CC2CCO2 2230a_200009830135_100000103362 [0,0,0,2,0,0|2,0,0]=4 24045 B13R2.15050 COC(=O)C1CN1CC2COC2 2230a_200009830135_100010264016 [0,0,0,2,0,0|2,0,0]=4 24046 B13R2.1166 COC(=O)C1CN1CCC2CC2 2230a_200009830135_100000694398 [0,0,0,2,0,0|1,0,0]=3 24047 B13R2.1166 COC(=O)C1CN1CCC2CO2 2230a_200009830135_100000732470 [0,0,0,2,0,0|2,0,0]=4 24048 B13R2.5377 O=C1CCC1CCNCC2CC2 2230a_100000735609_200016118888 [0,0,0,2,0,0|2,0,0]=4 24049 B13R2.5377 O=C1CCC1CCSCC2CC2 62a_100000756562_200016118888 [0,0,0,2,0,0|2,0,0]=4 24050 B13R2.5377 O=C1CCC1CCSCC2CC2 62a_200016118888_100000742324 [0,0,0,2,0,0|2,0,0]=4 24051 B13R2.415 CC1CCN1CCC2CCC2=O 269982a_100000755817_200016118888 [0,0,0,2,0,0|2,0,0]=4 24052 B13R2.215 CC1CCCCN1C2CCC2=O 269982a_100000211376_100009892977 [0,0,0,2,0,0|2,0,0]=4 24053 B13R2.215 CC1CCCCN1C2CCC2=O 34a_100000211376_100009892977 [0,0,0,2,0,0|2,0,0]=4 24054 B13R2.158 O=C1CCC1CCN2CCCC2 2230a_100000188435_200016118888 [0,0,0,2,0,0|2,0,0]=4 24055 B13R2.158 O=C1CCC1CCN2CCCC2 269982a_100000188435_200016118888 [0,0,0,2,0,0|2,0,0]=4 24056 B13R2.158 O=C1CCC1NCC2CCCC2 34a_100000737975_100009892977 [0,0,0,2,0,0|2,0,0]=4 24057 B13R2.158 O=C1CCC1OCC2CCCC2 34a_100000742336_100009892977 [0,0,0,2,0,0|2,0,0]=4 24058 B13R2.158 O=C1CCC1OCC2CCCC2 7a_100000742336_100009892977 [0,0,0,2,0,0|2,0,0]=4 24059 B13R2.158 O=C1CCC1SCC2CCCC2 62a_100000740388_100009892977 [0,0,0,2,0,0|2,0,0]=4 24060 B13R2.158 O=C1CCC1SCC2CCCC2 62a_100009892977_100000740388 [0,0,0,2,0,0|2,0,0]=4 24061 B13R2.4880 O=C1CCC1N2CCCCCC2 269982a_100000185865_100009892977 [0,0,0,2,0,0|2,0,0]=4 24062 B13R2.4880 O=C1CCC1N2CCCCCC2 34a_100000185865_100009892977 [0,0,0,2,0,0|2,0,0]=4 24063 B13R2.2296 COC(=O)C1CN1C2CCCC2 2230a_200009830135_100000179811 [0,0,0,2,0,0|1,0,0]=3 24064 B13R2.2296 COC(=O)C1CN1C2CCCC2 270004a_200009830135_100000210133 [0,0,0,2,0,0|1,0,0]=3 24065 B13R2.2296 COC(=O)C1CN1C2CCOC2 2230a_200009830135_100000731011 [0,0,0,2,0,0|2,0,0]=4 24066 B13R2.2296 COC(=O)C1CN1C2CCOC2 270004a_200009830135_100000752484 [0,0,0,2,0,0|2,0,0]=4 24067 B13R2.2296 COC(=O)C1CN1C2CCSC2 270004a_200009830135_100000212027 [0,0,0,2,0,0|2,0,0]=4