0 B18R0.176 CC(=O)SCCCCCCCCCCCOCCBr 34a_100000211926_100010140907 [0,0,0,0,0,0|4,0,0]=4 1 B18R0.176 CC(=O)SCCCCCCCCCCCSCCF 62a_100010140907_100011217306 [0,0,0,0,0,0|4,0,0]=4 2 B18R0.176 CC(=O)SCCCCCCCCCCCSCCF 62a_100011217306_100010140907 [0,0,0,0,0,0|4,0,0]=4 3 B18R0.176 CC(=O)SCCCCOCCCCCCCCCBr 34a_100009813782_200010402107 [0,0,0,0,0,0|4,0,0]=4 4 B18R0.176 CC(=O)SCCCCOCCCCCCCCCBr 7a_100009813782_200010402107 [0,0,0,0,0,0|4,0,0]=4 5 B18R0.176 CC(=O)SCCCCOCCCCCCCCCCl 34a_100009868337_200010402107 [0,0,0,0,0,0|4,0,0]=4 6 B18R0.176 CC(=O)SCCCCOCCCCCCCCCCl 7a_100009868337_200010402107 [0,0,0,0,0,0|4,0,0]=4 7 B18R0.176 CC(=O)SCCCOCCCCCCCCCCBr 34a_100009813290_100000038929 [0,0,0,0,0,0|4,0,0]=4 8 B18R0.176 CC(=O)SCCCOCCCCCCCCCCBr 7a_100009813290_100000038929 [0,0,0,0,0,0|4,0,0]=4 9 B18R0.176 CC(=O)SCCCOCCCCCCCCCCCl 34a_200000033068_100000038929 [0,0,0,0,0,0|4,0,0]=4 10 B18R0.176 CC(=O)SCCCOCCCCCCCCCCCl 7a_200000033068_100000038929 [0,0,0,0,0,0|4,0,0]=4 11 B18R0.176 CCCCC#CCCCCCCSCCCC(=O)C 62a_100011215641_200000043322 [0,0,0,0,0,0|2,0,2]=4 12 B18R0.176 CCCCC#CCCCCCCSCCCC(=O)C 62a_200000043322_100011215641 [0,0,0,0,0,0|2,0,2]=4 13 B18R0.176 CCCCCCCC/C=C/COCCCCC(=O)C 34a_200020667288_100009817362 [0,0,0,0,0,0|2,0,2]=4 14 B18R0.176 CCCCCCCC/C=C/COCCCCC(=O)C 7a_200020667288_100000735457 [0,0,0,0,0,0|2,0,2]=4 15 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)C 34a_100015232335_100000685027 [0,0,0,0,0,0|2,0,2]=4 16 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)C 7a_100015232335_100011215641 [0,0,0,0,0,0|2,0,2]=4 17 B18R0.176 CCCCCCCCCC/C=C/COCCC(=O)C 7a_200025761149_100000053229 [0,0,0,0,0,0|2,0,2]=4 18 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 11a_200000297553_100015343762 [0,0,0,0,0,0|2,0,0]=2 19 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 1626a_200000297553_100015343762 [0,0,0,0,0,0|2,0,0]=2 20 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 240690a_200000297553_100015343762 [0,0,0,0,0,0|2,0,0]=2 21 B18R0.176 CCCCCCCCCCCCCCCNC(=O)C 527a_200000297553_100103153847 [0,0,0,0,0,0|2,0,0]=2 22 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 2230a_100011215765_100000761012 [0,0,0,0,0,0|3,0,1]=4 23 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 270004a_100000718196_200011215488 [0,0,0,0,0,0|3,0,1]=4 24 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 34a_100000718196_100000210684 [0,0,0,0,0,0|3,0,1]=4 25 B18R0.176 CCCCCCCCCCCCCNCC=C(C)C 34a_100011215765_100000761012 [0,0,0,0,0,0|3,0,1]=4 26 B18R0.176 CCCCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011934334 [0,0,0,0,0,0|3,0,0]=3 27 B18R0.176 CCCCCCCCCCCCNCCC=C(C)C 2230a_100000210451_100011217483 [0,0,0,0,0,0|3,0,1]=4 28 B18R0.176 CCCCCCCCCCCCNCCC=C(C)C 34a_100000210451_100011217483 [0,0,0,0,0,0|3,0,1]=4 29 B18R0.176 CCCCCCCCCCCCNCCC=C(F)F 2230a_100000210451_200009816681 [0,0,0,0,0,0|3,0,1]=4 30 B18R0.176 CCCCCCCCCCCCNCCC=C(F)F 34a_100000210451_200009816681 [0,0,0,0,0,0|3,0,1]=4 31 B18R0.176 CCCCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000759014 [0,0,0,0,0,0|3,0,0]=3 32 B18R0.176 CCCCCCCCCCCOCCCOC(=S)C 34a_100000210809_200135323944 [0,0,0,0,0,0|3,1,0]=4 33 B18R0.176 CCCCCCCCCCCOCCCOC(=S)C 7a_100000210809_200135323944 [0,0,0,0,0,0|3,1,0]=4 34 B18R0.176 CCCCCCCCCCCOCCCSC(=O)C 34a_100000210809_100000038929 [0,0,0,0,0,0|3,0,0]=3 35 B18R0.176 CCCCCCCCCCCOCCCSC(=O)C 7a_100000210809_100000038929 [0,0,0,0,0,0|3,0,0]=3 36 B18R0.176 CCCCCCCCCCCSCCCOC(=O)C 62a_100000042594_100011215454 [0,0,0,0,0,0|3,0,0]=3 37 B18R0.176 CCCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100011215454 [0,0,0,0,0,0|3,0,0]=3 38 B18R0.176 CCCCCCCCCCOCCCCSC(=O)C 34a_100000210711_200010402107 [0,0,0,0,0,0|3,0,0]=3 39 B18R0.176 CCCCCCCCCCOCCCCSC(=O)C 7a_100000210711_200010402107 [0,0,0,0,0,0|3,0,0]=3 40 B18R0.176 CCCCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210320 [0,0,0,0,0,0|3,0,0]=3 41 B18R0.176 CCCCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210320 [0,0,0,0,0,0|3,0,0]=3 42 B18R0.176 CCCCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210670 [0,0,0,0,0,0|3,0,0]=3 43 B18R0.176 CCCOCCCCCCCCCCCSC(=O)C 34a_100000210258_100010140907 [0,0,0,0,0,0|3,0,0]=3 44 B18R0.176 CCCSCCCCCCCCCCCSC(=O)C 62a_100000210303_100010140907 [0,0,0,0,0,0|3,0,0]=3 45 B18R0.176 CCCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000210303 [0,0,0,0,0,0|3,0,0]=3 46 B18R0.176 COCSCCCCCCCCCCCSC(=O)C 62a_100000766300_100010140907 [0,0,0,0,0,0|4,0,0]=4 47 B18R0.176 COCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000766300 [0,0,0,0,0,0|4,0,0]=4 48 B18R0.176 CSCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100011218213 [0,0,0,0,0,0|4,0,0]=4 49 B18R0.176 CSCSCCCCCCCCCCCSC(=O)C 62a_100011218213_100010140907 [0,0,0,0,0,0|4,0,0]=4 50 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 2230a_100000210451_100000730704 [1,0,0,0,0,0|3,0,0]=4 51 B17R0.43 C=C(C)CCNCCCCCCCCCCCC 34a_100000210451_100000730704 [1,0,0,0,0,0|3,0,0]=4 52 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000210810_100000730704 [1,0,0,0,0,0|3,0,0]=4 53 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000764851_100000759014 [1,0,0,0,0,0|3,0,0]=4 54 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 7a_100000210810_100000730704 [1,0,0,0,0,0|3,0,0]=4 55 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 2230a_100011215765_100000748629 [1,0,0,0,0,0|3,0,0]=4 56 B17R0.43 C=C(C)CNCCCCCCCCCCCCC 34a_100011215765_100000748629 [1,0,0,0,0,0|3,0,0]=4 57 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000185773_100000748629 [1,0,0,0,0,0|3,0,0]=4 58 B17R0.43 C=C(C)COCCCCCCCCCCCCC 34a_100000210245_100000210684 [1,0,0,0,0,0|3,0,0]=4 59 B17R0.43 C=C(C)COCCCCCCCCCCCCC 7a_100000185773_100000748629 [1,0,0,0,0,0|3,0,0]=4 60 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 2230a_100011215765_100009893438 [1,0,0,0,0,0|3,0,0]=4 61 B17R0.43 C=C(F)CNCCCCCCCCCCCCC 34a_100011215765_100009893438 [1,0,0,0,0,0|3,0,0]=4 62 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_100000185773_100009893438 [1,0,0,0,0,0|3,0,0]=4 63 B17R0.43 C=C(F)COCCCCCCCCCCCCC 34a_200010262243_100000210684 [1,0,0,0,0,0|3,0,0]=4 64 B17R0.43 C=C(F)COCCCCCCCCCCCCC 7a_100000185773_100000042424 [1,0,0,0,0,0|3,0,0]=4 65 B17R0.43 C=CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_102495333938 [1,0,0,0,0,0|1,0,2]=4 66 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)C 1458a_100020587579_200000210301 [1,0,0,0,0,0|1,0,2]=4 67 B17R0.43 CCCCCC/C=C\CCCCCCCC(=O)[13CH3] 1458a_100020587579_200025704644 [1,0,0,0,0,0|1,0,2]=4 68 B17R0.43 CCCCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210322 [1,0,0,0,0,0|3,0,0]=4 69 B17R0.43 CCCCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210322 [1,0,0,0,0,0|3,0,0]=4 70 B17R0.43 CCCCCCCCCCCCCCCN(C)C 270004a_100102631434_100012088177 [1,0,0,0,0,0|3,0,0]=4 71 B17R0.43 CCCCCCCCCCCCCSCC(C)O 62a_100011218427_100011934334 [1,0,0,0,0,0|2,0,1]=4 72 B17R0.43 CCCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011934334 [1,0,0,0,0,0|2,0,1]=4 73 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 1458a_100008107568_200000210301 [1,0,0,0,0,0|2,0,0]=3 74 B17R0.43 CCCCCCCCCCCCSCCC(=O)C 62a_100000053229_100000759014 [1,0,0,0,0,0|2,0,0]=3 75 B17R0.43 CCCCCCCCCCCCSCCC(=O)[13CH3] 1458a_100008107568_200025704644 [1,0,0,0,0,0|2,0,0]=3 76 B17R0.43 CCCCCCCCCCCCSCCC(C)O 62a_100012276601_100000759014 [1,0,0,0,0,0|2,0,1]=4 77 B17R0.43 CCCCCCCCCCCCSCOC(=O)C 62a_100000076356_100000759014 [1,0,0,0,0,0|3,0,0]=4 78 B17R0.43 CCCCCCCCCCCSCCCC(=O)C 62a_100011215641_100011215454 [1,0,0,0,0,0|2,0,0]=3 79 B17R0.43 CCCCCCCCCCCSCCCC(C)O 62a_200000718107_100011215454 [1,0,0,0,0,0|2,0,1]=4 80 B17R0.43 CCCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210320 [1,0,0,0,0,0|2,0,0]=3 81 B17R0.43 CCCCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210320 [1,0,0,0,0,0|3,0,0]=4 82 B17R0.43 CCCCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210670 [1,0,0,0,0,0|3,0,0]=4 83 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100000210202_100010140907 [1,0,0,0,0,0|3,0,0]=4 84 B17R0.43 CCSCCCCCCCCCCCSC(=O)C 62a_100010140907_100000210202 [1,0,0,0,0,0|3,0,0]=4 85 B17R0.117 C#CCCCCCCCCCCOCCCCC 34a_100000054667_100000718602 [1,0,0,0,0,0|2,0,1]=4 86 B17R0.117 C#CCCCCCCCCCCOCCCCC 7a_100000054667_100000210326 [1,0,0,0,0,0|2,0,1]=4 87 B17R0.117 C#CCCCCCCCCCOCCCCCC 34a_100000034437_100000210314 [1,0,0,0,0,0|2,0,1]=4 88 B17R0.117 C#CCCCCCCCCCOCCCCCC 7a_100000034437_100000210314 [1,0,0,0,0,0|2,0,1]=4 89 B17R0.117 C#CCCCCCCCCOCCCCCCC 34a_100000065265_100000210614 [1,0,0,0,0,0|2,0,1]=4 90 B17R0.117 C#CCCCCCCCCOCCCCCCC 7a_100000065265_100000210614 [1,0,0,0,0,0|2,0,1]=4 91 B17R0.117 C#CCCCCCCCOCCCCCCCC 34a_100000054614_100000210759 [1,0,0,0,0,0|2,0,1]=4 92 B17R0.117 C#CCCCCCCCOCCCCCCCC 34a_100000210232_100153394163 [1,0,0,0,0,0|2,0,1]=4 93 B17R0.117 C#CCCCCCCCOCCCCCCCC 7a_100000054614_100000210759 [1,0,0,0,0,0|2,0,1]=4 94 B17R0.117 C#CCCCCCCCOCCCCCCCC 7a_100000210232_100153394163 [1,0,0,0,0,0|2,0,1]=4 95 B17R0.117 C#CCCCCCCOCCCCCCCCC 34a_100000210712_100012276617 [1,0,0,0,0,0|2,0,1]=4 96 B17R0.117 C#CCCCCCCOCCCCCCCCC 34a_100011217361_100011214924 [1,0,0,0,0,0|2,0,1]=4 97 B17R0.117 C#CCCCCCCOCCCCCCCCC 7a_100000210712_100012276617 [1,0,0,0,0,0|2,0,1]=4 98 B17R0.117 C#CCCCCCCOCCCCCCCCC 7a_100011217361_100000210328 [1,0,0,0,0,0|2,0,1]=4 99 B17R0.117 C#CCCCCCOCCCCCCCCCC 34a_100000210711_100012094781 [1,0,0,0,0,0|2,0,1]=4 100 B17R0.117 C#CCCCCCOCCCCCCCCCC 34a_100000766912_100000210320 [1,0,0,0,0,0|2,0,1]=4 101 B17R0.117 C#CCCCCCOCCCCCCCCCC 7a_100000210711_100012094781 [1,0,0,0,0,0|2,0,1]=4 102 B17R0.117 C#CCCCCCOCCCCCCCCCC 7a_100000766912_100000210320 [1,0,0,0,0,0|2,0,1]=4 103 B17R0.117 C#CCCCCOCCCCCCCCCCC 34a_100000210809_100010269958 [1,0,0,0,0,0|2,0,1]=4 104 B17R0.117 C#CCCCCOCCCCCCCCCCC 34a_100000766709_100011215454 [1,0,0,0,0,0|2,0,1]=4 105 B17R0.117 C#CCCCCOCCCCCCCCCCC 7a_100000210809_100010269958 [1,0,0,0,0,0|2,0,1]=4 106 B17R0.117 C#CCCCCOCCCCCCCCCCC 7a_100000766709_100011215454 [1,0,0,0,0,0|2,0,1]=4 107 B17R0.117 C#CCCCOCCCCCCCCCCCC 34a_100000210810_100000695029 [1,0,0,0,0,0|2,0,1]=4 108 B17R0.117 C#CCCCOCCCCCCCCCCCC 34a_100000215630_100000759014 [1,0,0,0,0,0|2,0,1]=4 109 B17R0.117 C#CCCCOCCCCCCCCCCCC 7a_100000210810_100011215417 [1,0,0,0,0,0|2,0,1]=4 110 B17R0.117 C#CCCCOCCCCCCCCCCCC 7a_100000215630_100000759014 [1,0,0,0,0,0|2,0,1]=4 111 B17R0.117 C#CCCOCCCCCCCCCCCCC 34a_100000185773_100000688953 [1,0,0,0,0,0|2,0,1]=4 112 B17R0.117 C#CCCOCCCCCCCCCCCCC 34a_100011215631_100000210684 [1,0,0,0,0,0|2,0,1]=4 113 B17R0.117 C#CCCOCCCCCCCCCCCCC 7a_100000185773_100000688953 [1,0,0,0,0,0|2,0,1]=4 114 B17R0.117 C#CCOCCCCCCCCCCCCCC 34a_100000210247_100011215471 [1,0,0,0,0,0|2,0,1]=4 115 B17R0.117 C#CCOCCCCCCCCCCCCCC 34a_100000210739_100000184674 [1,0,0,0,0,0|2,0,1]=4 116 B17R0.117 C#CCOCCCCCCCCCCCCCC 7a_100000210739_100000038162 [1,0,0,0,0,0|2,0,1]=4 117 B17R0.117 C/C=C/CCOCCCCCCCCCCCC 34a_100016278192_100000759014 [1,0,0,0,0,0|2,0,1]=4 118 B17R0.117 C/C=C/CNCCCCCCCCCCCCC 34a_100011215765_100102629194 [1,0,0,0,0,0|2,0,1]=4 119 B17R0.117 C/C=C/COCCCCCCCCCCCCC 34a_100000185773_100102629194 [1,0,0,0,0,0|2,0,1]=4 120 B17R0.117 C/C=C/COCCCCCCCCCCCCC 34a_100016270725_100000210684 [1,0,0,0,0,0|2,0,1]=4 121 B17R0.117 C/C=C/COCCCCCCCCCCCCC 7a_100000185773_100102629194 [1,0,0,0,0,0|2,0,1]=4 122 B17R0.117 CC=CCCCOCCCCCCCCCCC 34a_100020645299_100011215454 [1,0,0,0,0,0|2,0,1]=4 123 B17R0.117 CC=CCNCCCCCCCCCCCCC 2230a_100011215765_100000070051 [1,0,0,0,0,0|2,0,1]=4 124 B17R0.117 CC=CCNCCCCCCCCCCCCC 34a_100011215765_100000070051 [1,0,0,0,0,0|2,0,1]=4 125 B17R0.117 CC=CCOCCCCCCCCCCCCC 34a_100000185773_100000070051 [1,0,0,0,0,0|2,0,1]=4 126 B17R0.117 CC=CCOCCCCCCCCCCCCC 7a_100000185773_100000070051 [1,0,0,0,0,0|2,0,1]=4 127 B17R0.117 CCCCCCCCCCCCCCOCC#N 7a_100000210739_100011215382 [1,0,0,0,0,0|2,0,1]=4 128 B17R0.117 CCCCCCCCCCCCCOCCC#N 7a_100000185773_100000184422 [1,0,0,0,0,0|2,0,1]=4 129 B17R0.117 CCCCCCCCCCCCCSCCC#N 62a_100011215226_100011934334 [1,0,0,0,0,0|2,0,1]=4 130 B17R0.117 CCCCCCCCCCCCOCCCC#N 7a_100000210810_100000687738 [1,0,0,0,0,0|2,0,1]=4 131 B17R0.117 CCCCCCCCCCCCSCCCC#N 62a_100000687738_100000759014 [1,0,0,0,0,0|2,0,1]=4 132 B17R0.117 CCCCCCCCCCCOCCCCC#N 7a_100000210809_100000211819 [1,0,0,0,0,0|2,0,1]=4 133 B17R0.117 CCCCCCCCCCCSCCCCC#N 62a_100011219923_100011215454 [1,0,0,0,0,0|2,0,1]=4 134 B17R0.117 CCCCCCCCCCOCCCCCC#N 7a_100000210711_100009813376 [1,0,0,0,0,0|2,0,1]=4 135 B17R0.117 CCCCCCCCCCSCCCCCC#N 62a_100009813376_100000210320 [1,0,0,0,0,0|2,0,1]=4 136 B17R0.117 CCCCCCCCCOCCCCCCC#N 7a_100000210712_100009813337 [1,0,0,0,0,0|2,0,1]=4 137 B17R0.117 CCCCCCCCCSCCCCCCC#N 62a_100009813337_100000210670 [1,0,0,0,0,0|2,0,1]=4 138 B19R0.35 CCCCCCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100011934334 [0,1,0,0,0,0|3,0,0]=4 139 B19R0.59 CCCCCCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000210596 [0,1,0,0,0,0|3,0,0]=4 140 B19R0.71 CCCCCCCCC(C)COCCCCSC(=O)C 34a_200012125181_200010402107 [0,1,0,0,0,0|3,0,0]=4 141 B19R0.71 CCCCCCCCC(C)COCCCCSC(=O)C 7a_200012125181_200010402107 [0,1,0,0,0,0|3,0,0]=4 142 B19R0.92 CCCCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000759014 [0,1,0,0,0,0|2,0,1]=4 143 B19R0.92 CCCCCCCCCCCCC(C)OCOC(=O)C 34a_200011215752_100009813279 [0,1,0,0,0,0|3,0,0]=4 144 B19R0.92 CCCCCCCCCCCCC(C)SCOC(=O)C 62a_100000076356_200011217028 [0,1,0,0,0,0|3,0,0]=4 145 B19R0.92 CCCCCCCCCCCCC(C)SCOC(=O)C 62a_200011217028_100000076356 [0,1,0,0,0,0|3,0,0]=4 146 B19R0.148 C/C=C/CSCCCCCCCCCCCC(=O)OC 62a_100102629194_100010983606 [0,1,0,0,0,0|1,0,2]=4 147 B19R0.148 CC/C=C\CCSCCCCCCCCCC(=O)OC 62a_100015370543_100009813843 [0,1,0,0,0,0|1,0,2]=4 148 B19R0.148 CC/C=C\CSCCCCCCCCCCC(=O)OC 62a_100103147603_100009812566 [0,1,0,0,0,0|1,0,2]=4 149 B19R0.148 CC=CCSCCCCCCCCCCCC(=O)OC 62a_100000070051_100010983606 [0,1,0,0,0,0|1,0,2]=4 150 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 2708a_100102657272_200000297553 [0,1,0,0,0,0|2,0,0]=3 151 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 2708a_200000297553_106832991635 [0,1,0,0,0,0|2,0,0]=3 152 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 273464a_100102657272_200000297553 [0,1,0,0,0,0|2,0,0]=3 153 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 273464a_200000297553_100102657272 [0,1,0,0,0,0|2,0,0]=3 154 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 512a_106832991638_200000297553 [0,1,0,0,0,0|2,0,0]=3 155 B19R0.148 CCCCCCCCCCCCCCCNC(=O)NC 512a_200000297553_100102657272 [0,1,0,0,0,0|2,0,0]=3 156 B19R0.148 CCCCCCCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000759014 [0,1,0,0,0,0|1,0,2]=4 157 B19R0.148 CCCCCCCCCCCCSCCOC(=O)NC 62a_200011997002_100000759014 [0,1,0,0,0,0|3,0,0]=4 158 B19R0.149 CCCCC#CCCCCCCSCCCCC(=O)C 62a_100000735457_200000043322 [0,1,0,0,0,0|1,0,2]=4 159 B19R0.149 CCCCC#CCCCCCCSCCCCC(=O)C 62a_200000043322_100000735457 [0,1,0,0,0,0|1,0,2]=4 160 B19R0.149 CCCCCCCCCCCCCCC=NNC(=O)C 4a_100000189765_100012088177 [0,1,0,0,0,0|2,0,1]=4 161 B19R0.157 CCCCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210684 [0,1,0,0,0,0|2,0,1]=4 162 B19R0.157 CCCCCCCCCCCNCC(C)CSC(=O)C 2230a_200011215754_200000116872 [0,1,0,0,0,0|3,0,0]=4 163 B19R0.157 CCCCCCCCCCCNCC(C)CSC(=O)C 34a_200011215754_200000116872 [0,1,0,0,0,0|3,0,0]=4 164 B19R0.157 CCCCCCCCCCCOCC(C)CSC(=O)C 34a_100000210809_200000116872 [0,1,0,0,0,0|3,0,0]=4 165 B19R0.157 CCCCCCCCCCCOCC(C)CSC(=O)C 7a_100000210809_200000116872 [0,1,0,0,0,0|3,0,0]=4 166 B19R0.443 CC(=O)SCCCCCCCCCCCNCC(C)C 2230a_100000210953_100010140907 [0,1,0,0,0,0|3,0,0]=4 167 B19R0.443 CC(=O)SCCCCCCCCCCCNCC(C)C 34a_100000210953_100010140907 [0,1,0,0,0,0|3,0,0]=4 168 B19R0.443 CC(=O)SCCCCCCCCCCCOCC(C)Br 34a_100012180447_100010140907 [0,1,0,0,0,0|3,0,0]=4 169 B19R0.443 CC(=O)SCCCCCCCCCCCOCC(C)C 34a_100000210257_100010140907 [0,1,0,0,0,0|3,0,0]=4 170 B19R0.443 CC(=O)SCCCCCCCCCCCOCC(C)F 34a_100015925927_100010140907 [0,1,0,0,0,0|3,0,0]=4 171 B19R0.443 CC(=O)SCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100010140907 [0,1,0,0,0,0|3,0,0]=4 172 B19R0.3040 CCCC(=O)CCCCCCCCCCCSC(=O)C 1458a_100000211992_100010140907 [0,1,0,0,0,0|2,0,1]=4 173 B19R0.3040 CCCN(C)CCCCCCCCCCCSC(=O)C 2230a_100000747261_100010140907 [0,1,0,0,0,0|3,0,0]=4 174 B19R0.3040 CCCN(C)CCCCCCCCCCCSC(=O)C 269982a_100000747261_100010140907 [0,1,0,0,0,0|3,0,0]=4 175 B19R0.9205 CCCCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210736_100000038929 [0,1,0,0,0,0|2,0,1]=4 176 B19R0.21384 CCC(C)NCCCCCCCCCCCSC(=O)C 2230a_100000209981_100010140907 [0,1,0,0,0,0|3,0,0]=4 177 B19R0.21384 CCC(C)OCCCCCCCCCCCSC(=O)C 7a_100000210228_100010140907 [0,1,0,0,0,0|3,0,0]=4 178 B19R0.23236 CCCCCCCCCCC(=O)CCCCSC(=O)C 1458a_100000210375_200010402107 [0,1,0,0,0,0|2,0,1]=4 179 B19R0.23236 CCCCCCCCCCC(C)OCCCSC(=O)C 34a_100011215000_100000038929 [0,1,0,0,0,0|3,0,0]=4 180 B19R0.23236 CCCCCCCCCCC(C)OCCCSC(=O)C 7a_100011215000_100000038929 [0,1,0,0,0,0|3,0,0]=4 181 B19R0.23236 CCCCCCCCCCN(C)CCCCSC(=O)C 2230a_100000207566_200010402107 [0,1,0,0,0,0|3,0,0]=4 182 B19R0.23236 CCCCCCCCCCN(C)CCCCSC(=O)C 269982a_100000207566_200010402107 [0,1,0,0,0,0|3,0,0]=4 183 B19R0.26214 CCCCCCCCCC(C)OCCCCSC(=O)C 34a_100011218016_200010402107 [0,1,0,0,0,0|3,0,0]=4 184 B19R0.26214 CCCCCCCCCC(C)OCCCCSC(=O)C 7a_100011218016_200010402107 [0,1,0,0,0,0|3,0,0]=4 185 B19R1.274 CCCCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000759014 [0,0,0,1,0,0|2,0,0]=3 186 B19R1.970 CCCCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011215454 [0,0,0,1,0,0|2,0,0]=3 187 B19R1.5152 C=C1CC(C1)CNCCCCCCCCCCCC 2230a_100102567296_100011215052 [0,0,0,1,0,0|3,0,0]=4 188 B19R1.5152 C=C1CC(C1)CNCCCCCCCCCCCC 270004a_100102567296_100011218549 [0,0,0,1,0,0|3,0,0]=4 189 B19R1.5152 C=C1CC(C1)CNCCCCCCCCCCCC 34a_100102567296_100000759014 [0,0,0,1,0,0|3,0,0]=4 190 B19R1.5152 C=C1CC(C1)COCCCCCCCCCCCC 34a_100011011225_100000759014 [0,0,0,1,0,0|3,0,0]=4 191 B19R1.5152 C=C1CC(C1)NCCCCCCCCCCCCC 2230a_100132301982_100000210684 [0,0,0,1,0,0|3,0,0]=4 192 B19R1.5152 C=C1CC(C1)NCCCCCCCCCCCCC 270004a_100132301982_200011215488 [0,0,0,1,0,0|3,0,0]=4 193 B19R1.5152 CCCCCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100011934334 [0,0,0,1,0,0|2,0,0]=3 194 B19R1.5152 CCCCCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000759014 [0,0,0,1,0,0|2,0,0]=3 195 B19R1.49099 CC(=O)SCCCCCCCCCCCSC1CC1 62a_100010140907_100000211595 [0,0,0,1,0,0|3,0,0]=4 196 B19R1.49447 CC(=O)CCCOC1CCCCCCCCCCC1 34a_100000211378_100000685027 [0,0,0,1,0,0|2,0,0]=3 197 B19R1.49447 CC(=O)CCCOC1CCCCCCCCCCC1 7a_100000211378_100011215641 [0,0,0,1,0,0|2,0,0]=3 198 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000070787_100011215471 [2,0,0,0,0,0|1,0,0]=3 199 B16R0.274 CCCCCCCCCCCCCCC(=O)C 1458a_100000297455_200000210301 [2,0,0,0,0,0|1,0,0]=3 200 B16R0.274 CCCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000297455_200025704644 [2,0,0,0,0,0|1,0,0]=3 201 B16R0.274 CCCCCCCCCCCSCCC(=O)C 62a_100000053229_100011215454 [2,0,0,0,0,0|2,0,0]=4 202 B16R0.274 CCCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210320 [2,0,0,0,0,0|2,0,0]=4 203 B16R0.274 CCCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210670 [2,0,0,0,0,0|2,0,0]=4 204 B16R0.303 C=CCCCCCCCCCCCCCNC 2230a_106832991635_102495333938 [2,0,0,0,0,0|1,0,1]=4 205 B16R0.303 C=CCCCCCCCCCCCCCNC 34a_100102657272_102495333938 [2,0,0,0,0,0|1,0,1]=4 206 B16R0.303 C=CCCCCCCCCCCCCCNC 7a_106832991635_102495333938 [2,0,0,0,0,0|1,0,1]=4 207 B16R0.303 C=CCCCCCCCCCCCCCOC 34a_100138415774_102495333938 [2,0,0,0,0,0|1,0,1]=4 208 B16R0.303 C=CCCCCCCCCCCCOCCC 34a_100000210258_102130925996 [2,0,0,0,0,0|1,0,1]=4 209 B16R0.303 C=CCCCCCCCCCCNCCCC 2230a_100000102301_100011093070 [2,0,0,0,0,0|1,0,1]=4 210 B16R0.303 C=CCCCCCCCCCCNCCCC 7a_106832991798_100011093070 [2,0,0,0,0,0|1,0,1]=4 211 B16R0.303 C=CCCCCCCCCCCOCCCC 34a_100000210227_100011093070 [2,0,0,0,0,0|1,0,1]=4 212 B16R0.303 C=CCCCCCCCCCCOCCCC 7a_100000210227_100011093070 [2,0,0,0,0,0|1,0,1]=4 213 B16R0.303 C=CCCCCCCCCCNCCCCC 2230a_100000081888_100000210326 [2,0,0,0,0,0|1,0,1]=4 214 B16R0.303 C=CCCCCCCCCCNCCCCC 2230a_100000209983_100009814027 [2,0,0,0,0,0|1,0,1]=4 215 B16R0.303 C=CCCCCCCCCCNCCCCC 34a_100000081888_100000718602 [2,0,0,0,0,0|1,0,1]=4 216 B16R0.303 C=CCCCCCCCCCOCCCCC 34a_100000038209_100000718602 [2,0,0,0,0,0|1,0,1]=4 217 B16R0.303 C=CCCCCCCCCCOCCCCC 34a_100000210253_100009814027 [2,0,0,0,0,0|1,0,1]=4 218 B16R0.303 C=CCCCCCCCCCOCCCCC 7a_100000038209_100000210326 [2,0,0,0,0,0|1,0,1]=4 219 B16R0.303 C=CCCCCCCCCCOCCCCC 7a_100000210253_100009814027 [2,0,0,0,0,0|1,0,1]=4 220 B16R0.303 C=CCCCCCCCCNCCCCCC 2230a_100000210581_100011933949 [2,0,0,0,0,0|1,0,1]=4 221 B16R0.303 C=CCCCCCCCCOCCCCCC 34a_100000210259_100011933949 [2,0,0,0,0,0|1,0,1]=4 222 B16R0.303 C=CCCCCCCCCOCCCCCC 34a_100011215194_100000210314 [2,0,0,0,0,0|1,0,1]=4 223 B16R0.303 C=CCCCCCCCCOCCCCCC 7a_100000210259_100011933949 [2,0,0,0,0,0|1,0,1]=4 224 B16R0.303 C=CCCCCCCCCOCCCCCC 7a_100011215194_100000210314 [2,0,0,0,0,0|1,0,1]=4 225 B16R0.303 C=CCCCCCCCNCCCCCCC 2230a_100000229938_100012355270 [2,0,0,0,0,0|1,0,1]=4 226 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000210272_100012355270 [2,0,0,0,0,0|1,0,1]=4 227 B16R0.303 C=CCCCCCCCOCCCCCCC 34a_100000730831_100000210614 [2,0,0,0,0,0|1,0,1]=4 228 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000210272_100012355270 [2,0,0,0,0,0|1,0,1]=4 229 B16R0.303 C=CCCCCCCCOCCCCCCC 7a_100000730831_100000210614 [2,0,0,0,0,0|1,0,1]=4 230 B16R0.303 C=CCCCCCCNCCCCCCCC 2230a_100000229939_100011215473 [2,0,0,0,0,0|1,0,1]=4 231 B16R0.303 C=CCCCCCCNCCCCCCCC 34a_100000229939_100011215473 [2,0,0,0,0,0|1,0,1]=4 232 B16R0.303 C=CCCCCCCOCCCCCCCC 34a_100000210232_100011215473 [2,0,0,0,0,0|1,0,1]=4 233 B16R0.303 C=CCCCCCCOCCCCCCCC 34a_200011216477_100000210759 [2,0,0,0,0,0|1,0,1]=4 234 B16R0.303 C=CCCCCCCOCCCCCCCC 7a_100000210232_100011215473 [2,0,0,0,0,0|1,0,1]=4 235 B16R0.303 C=CCCCCCCOCCCCCCCC 7a_200011216477_100000210759 [2,0,0,0,0,0|1,0,1]=4 236 B16R0.303 C=CCCCCCNCCCCCCCCC 2230a_100000212291_100000700193 [2,0,0,0,0,0|1,0,1]=4 237 B16R0.303 C=CCCCCCNCCCCCCCCC 34a_100000212291_100000700193 [2,0,0,0,0,0|1,0,1]=4 238 B16R0.303 C=CCCCCCOCCCCCCCCC 34a_100000210712_100000700193 [2,0,0,0,0,0|1,0,1]=4 239 B16R0.303 C=CCCCCCOCCCCCCCCC 34a_100011216702_100011214924 [2,0,0,0,0,0|1,0,1]=4 240 B16R0.303 C=CCCCCCOCCCCCCCCC 7a_100000210712_100000700193 [2,0,0,0,0,0|1,0,1]=4 241 B16R0.303 C=CCCCCCOCCCCCCCCC 7a_100011216702_100000210328 [2,0,0,0,0,0|1,0,1]=4 242 B16R0.303 C=CCCCCNCCCCCCCCCC 2230a_100000684558_100011215482 [2,0,0,0,0,0|1,0,1]=4 243 B16R0.303 C=CCCCCNCCCCCCCCCC 2230a_100000703577_100000210320 [2,0,0,0,0,0|1,0,1]=4 244 B16R0.303 C=CCCCCNCCCCCCCCCC 34a_100000684558_100011215482 [2,0,0,0,0,0|1,0,1]=4 245 B16R0.303 C=CCCCCNCCCCCCCCCC 34a_100000703577_100000210320 [2,0,0,0,0,0|1,0,1]=4 246 B16R0.303 C=CCCCCOCCCCCCCCCC 34a_100000210711_100011215482 [2,0,0,0,0,0|1,0,1]=4 247 B16R0.303 C=CCCCCOCCCCCCCCCC 34a_100000766645_100000210320 [2,0,0,0,0,0|1,0,1]=4 248 B16R0.303 C=CCCCCOCCCCCCCCCC 7a_100000210711_100011215482 [2,0,0,0,0,0|1,0,1]=4 249 B16R0.303 C=CCCCCOCCCCCCCCCC 7a_100000766645_100000210320 [2,0,0,0,0,0|1,0,1]=4 250 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_100000700776_100011215454 [2,0,0,0,0,0|1,0,1]=4 251 B16R0.303 C=CCCCNCCCCCCCCCCC 2230a_200011215754_100011713584 [2,0,0,0,0,0|1,0,1]=4 252 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_100000700776_100011215454 [2,0,0,0,0,0|1,0,1]=4 253 B16R0.303 C=CCCCNCCCCCCCCCCC 34a_200011215754_100000757094 [2,0,0,0,0,0|1,0,1]=4 254 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000210809_100000757094 [2,0,0,0,0,0|1,0,1]=4 255 B16R0.303 C=CCCCOCCCCCCCCCCC 34a_100000758997_100011215454 [2,0,0,0,0,0|1,0,1]=4 256 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000210809_100000757094 [2,0,0,0,0,0|1,0,1]=4 257 B16R0.303 C=CCCCOCCCCCCCCCCC 7a_100000758997_100011215454 [2,0,0,0,0,0|1,0,1]=4 258 B16R0.303 C=CCCNCCCCCCCCCCCC 2230a_100000210451_100000754431 [2,0,0,0,0,0|1,0,1]=4 259 B16R0.303 C=CCCNCCCCCCCCCCCC 2230a_100015191253_100011215052 [2,0,0,0,0,0|1,0,1]=4 260 B16R0.303 C=CCCNCCCCCCCCCCCC 270004a_100015191253_100011218549 [2,0,0,0,0,0|1,0,1]=4 261 B16R0.303 C=CCCNCCCCCCCCCCCC 34a_100000210451_100000754431 [2,0,0,0,0,0|1,0,1]=4 262 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100000210810_100000754431 [2,0,0,0,0,0|1,0,1]=4 263 B16R0.303 C=CCCOCCCCCCCCCCCC 34a_100011205117_100000759014 [2,0,0,0,0,0|1,0,1]=4 264 B16R0.303 C=CCCOCCCCCCCCCCCC 7a_100000210810_100000754431 [2,0,0,0,0,0|1,0,1]=4 265 B16R0.303 C=CCNCCCCCCCCCCCCC 2230a_100011215765_100000210623 [2,0,0,0,0,0|1,0,1]=4 266 B16R0.303 C=CCNCCCCCCCCCCCCC 2230a_100020586998_100000210684 [2,0,0,0,0,0|1,0,1]=4 267 B16R0.303 C=CCNCCCCCCCCCCCCC 270004a_100020586998_200011215488 [2,0,0,0,0,0|1,0,1]=4 268 B16R0.303 C=CCNCCCCCCCCCCCCC 34a_100011215765_100015514636 [2,0,0,0,0,0|1,0,1]=4 269 B16R0.303 C=CCOCCCCCCCCCCCCC 34a_100000185773_100015514636 [2,0,0,0,0,0|1,0,1]=4 270 B16R0.303 C=CCOCCCCCCCCCCCCC 34a_200000210373_100000210684 [2,0,0,0,0,0|1,0,1]=4 271 B16R0.303 C=CCOCCCCCCCCCCCCC 7a_100000185773_100015514636 [2,0,0,0,0,0|1,0,1]=4 272 B16R0.303 CCCCCCCCCCCCCCCNC 2230a_106832991635_100000210322 [2,0,0,0,0,0|1,0,1]=4 273 B16R0.303 CCCCCCCCCCCCCCCNC 2230a_200000297553_200000210301 [2,0,0,0,0,0|1,0,1]=4 274 B16R0.303 CCCCCCCCCCCCCCCNC 270004a_106832991635_100012088177 [2,0,0,0,0,0|1,0,1]=4 275 B16R0.303 CCCCCCCCCCCCCCCNC 34a_100102657272_100000210322 [2,0,0,0,0,0|1,0,1]=4 276 B16R0.303 CCCCCCCCCCCCCCCNC 34a_200000297553_200000210301 [2,0,0,0,0,0|1,0,1]=4 277 B16R0.303 CCCCCCCCCCCCCCCNC 7a_106832991635_100000210322 [2,0,0,0,0,0|1,0,1]=4 278 B16R0.303 CCCCCCCCCCCCCCCN[13CH3] 2230a_200000297553_200025704644 [2,0,0,0,0,0|1,0,1]=4 279 B16R0.303 CCCCCCCCCCCCCCCN[13CH3] 34a_200000297553_200025704644 [2,0,0,0,0,0|1,0,1]=4 280 B16R0.303 CCCCCCCCCCCCCCCOC 34a_100000272386_200000210301 [2,0,0,0,0,0|1,0,1]=4 281 B16R0.303 CCCCCCCCCCCCCCCOC 34a_100138415774_100000210322 [2,0,0,0,0,0|1,0,1]=4 282 B16R0.303 CCCCCCCCCCCCCCCOC 7a_100000272386_200000210301 [2,0,0,0,0,0|1,0,1]=4 283 B16R0.303 CCCCCCCCCCCCCCCO[13CH3] 34a_100000272386_200025704644 [2,0,0,0,0,0|1,0,1]=4 284 B16R0.303 CCCCCCCCCCCCCCCO[13CH3] 7a_100000272386_200025704644 [2,0,0,0,0,0|1,0,1]=4 285 B16R0.303 CCCCCCCCCCCCCCNCC 2230a_100011217771_100000210202 [2,0,0,0,0,0|1,0,1]=4 286 B16R0.303 CCCCCCCCCCCCCCNCC 2230a_100015525214_100011215471 [2,0,0,0,0,0|1,0,1]=4 287 B16R0.303 CCCCCCCCCCCCCCNCC 270004a_100015525214_200011216147 [2,0,0,0,0,0|1,0,1]=4 288 B16R0.303 CCCCCCCCCCCCCCNCC 34a_100011217771_100000210202 [2,0,0,0,0,0|1,0,1]=4 289 B16R0.303 CCCCCCCCCCCCCCNCF 34a_100011217771_100015361967 [2,0,0,0,0,0|2,0,0]=4 290 B16R0.303 CCCCCCCCCCCCCCOCC 34a_100000210739_100000210202 [2,0,0,0,0,0|1,0,1]=4 291 B16R0.303 CCCCCCCCCCCCCCOCC 34a_100121572206_100011215471 [2,0,0,0,0,0|1,0,1]=4 292 B16R0.303 CCCCCCCCCCCCCCOCC 7a_100000210739_100000210202 [2,0,0,0,0,0|1,0,1]=4 293 B16R0.303 CCCCCCCCCCCCCCOCF 34a_100000210739_100015361967 [2,0,0,0,0,0|2,0,0]=4 294 B16R0.303 CCCCCCCCCCCCCCOCF 7a_100000210739_100015361967 [2,0,0,0,0,0|2,0,0]=4 295 B16R0.303 CCCCCCCCCCCCCNCCC 2230a_100011215765_100000210303 [2,0,0,0,0,0|1,0,1]=4 296 B16R0.303 CCCCCCCCCCCCCNCCC 270004a_100020643023_200011215488 [2,0,0,0,0,0|1,0,1]=4 297 B16R0.303 CCCCCCCCCCCCCNCCC 34a_100011215765_100000210303 [2,0,0,0,0,0|1,0,1]=4 298 B16R0.303 CCCCCCCCCCCCCOCCBr 34a_100000211926_100000210684 [2,0,0,0,0,0|2,0,0]=4 299 B16R0.303 CCCCCCCCCCCCCOCCC 34a_100000185773_100000210303 [2,0,0,0,0,0|1,0,1]=4 300 B16R0.303 CCCCCCCCCCCCCOCCC 34a_100000210258_100000210684 [2,0,0,0,0,0|1,0,1]=4 301 B16R0.303 CCCCCCCCCCCCCOCCC 7a_100000185773_100000210303 [2,0,0,0,0,0|1,0,1]=4 302 B16R0.303 CCCCCCCCCCCCCOCCF 34a_100000185773_100011217306 [2,0,0,0,0,0|2,0,0]=4 303 B16R0.303 CCCCCCCCCCCCCOCCF 7a_100000185773_100011217306 [2,0,0,0,0,0|2,0,0]=4 304 B16R0.303 CCCCCCCCCCCCCSCC=O 62a_200015260668_100011934334 [2,0,0,0,0,0|1,0,0]=3 305 B16R0.303 CCCCCCCCCCCCCSCCO 62a_100000211926_100011934334 [2,0,0,0,0,0|1,0,0]=3 306 B16R0.303 CCCCCCCCCCCCNCCCC 2230a_100000102301_100011215052 [2,0,0,0,0,0|1,0,1]=4 307 B16R0.303 CCCCCCCCCCCCNCCCC 2230a_100000210451_100000210211 [2,0,0,0,0,0|1,0,1]=4 308 B16R0.303 CCCCCCCCCCCCNCCCC 270004a_100000102301_100011218549 [2,0,0,0,0,0|1,0,1]=4 309 B16R0.303 CCCCCCCCCCCCNCCCC 34a_100000210451_100000210210 [2,0,0,0,0,0|1,0,1]=4 310 B16R0.303 CCCCCCCCCCCCNCCCC 7a_106832991798_100000759014 [2,0,0,0,0,0|1,0,1]=4 311 B16R0.303 CCCCCCCCCCCCOCCCBr 34a_100011217188_100000759014 [2,0,0,0,0,0|2,0,0]=4 312 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210227_100000759014 [2,0,0,0,0,0|1,0,1]=4 313 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210810_100000210210 [2,0,0,0,0,0|1,0,1]=4 314 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210227_100000759014 [2,0,0,0,0,0|1,0,1]=4 315 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210810_100000210211 [2,0,0,0,0,0|1,0,1]=4 316 B16R0.303 CCCCCCCCCCCCOCCCCl 34a_100000230001_100000759014 [2,0,0,0,0,0|2,0,0]=4 317 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000210810_100011934791 [2,0,0,0,0,0|2,0,0]=4 318 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000759539_100000759014 [2,0,0,0,0,0|2,0,0]=4 319 B16R0.303 CCCCCCCCCCCCOCCCF 7a_100000210810_100011934791 [2,0,0,0,0,0|2,0,0]=4 320 B16R0.303 CCCCCCCCCCCCSCCCO 62a_100011215043_100000759014 [2,0,0,0,0,0|1,0,0]=3 321 B16R0.303 CCCCCCCCCCCNCCCCC 2230a_100000209983_100011215454 [2,0,0,0,0,0|1,0,1]=4 322 B16R0.303 CCCCCCCCCCCNCCCCC 2230a_200011215754_100000210326 [2,0,0,0,0,0|1,0,1]=4 323 B16R0.303 CCCCCCCCCCCNCCCCC 34a_200011215754_100000718602 [2,0,0,0,0,0|1,0,1]=4 324 B16R0.303 CCCCCCCCCCCOCCCCBr 34a_100011216708_100011215454 [2,0,0,0,0,0|2,0,0]=4 325 B16R0.303 CCCCCCCCCCCOCCCCC 34a_100000210253_100011215454 [2,0,0,0,0,0|1,0,1]=4 326 B16R0.303 CCCCCCCCCCCOCCCCC 34a_100000210809_100000718602 [2,0,0,0,0,0|1,0,1]=4 327 B16R0.303 CCCCCCCCCCCOCCCCC 7a_100000210253_100011215454 [2,0,0,0,0,0|1,0,1]=4 328 B16R0.303 CCCCCCCCCCCOCCCCC 7a_100000210809_100000210326 [2,0,0,0,0,0|1,0,1]=4 329 B16R0.303 CCCCCCCCCCCOCCCCCl 34a_100000210776_100011215454 [2,0,0,0,0,0|2,0,0]=4 330 B16R0.303 CCCCCCCCCCCOCCCCCl 7a_100000210776_100011215454 [2,0,0,0,0,0|2,0,0]=4 331 B16R0.303 CCCCCCCCCCCOCCCCF 34a_100000210809_100000729493 [2,0,0,0,0,0|2,0,0]=4 332 B16R0.303 CCCCCCCCCCCOCCCCF 34a_100011995726_100011215454 [2,0,0,0,0,0|2,0,0]=4 333 B16R0.303 CCCCCCCCCCCOCCCCF 7a_100000210809_100000729493 [2,0,0,0,0,0|2,0,0]=4 334 B16R0.303 CCCCCCCCCCCOCCCCF 7a_100011995726_100011215454 [2,0,0,0,0,0|2,0,0]=4 335 B16R0.303 CCCCCCCCCCCOCCCCI 34a_200012148704_100011215454 [2,0,0,0,0,0|2,0,0]=4 336 B16R0.303 CCCCCCCCCCCSCCCC=O 62a_200011292268_100011215454 [2,0,0,0,0,0|1,0,0]=3 337 B16R0.303 CCCCCCCCCCCSCCCCO 62a_100000210776_100011215454 [2,0,0,0,0,0|1,0,0]=3 338 B16R0.303 CCCCCCCCCCNCCCCCC 2230a_100000210581_100000210320 [2,0,0,0,0,0|1,0,1]=4 339 B16R0.303 CCCCCCCCCCNCCCCCC 2230a_100000684558_100000210314 [2,0,0,0,0,0|1,0,1]=4 340 B16R0.303 CCCCCCCCCCNCCCCCC 34a_100000684558_100000210314 [2,0,0,0,0,0|1,0,1]=4 341 B16R0.303 CCCCCCCCCCOCCCCCBr 34a_100000746331_100000210320 [2,0,0,0,0,0|2,0,0]=4 342 B16R0.303 CCCCCCCCCCOCCCCCBr 7a_100000746331_100000210320 [2,0,0,0,0,0|2,0,0]=4 343 B16R0.303 CCCCCCCCCCOCCCCCC 34a_100000210259_100000210320 [2,0,0,0,0,0|1,0,1]=4 344 B16R0.303 CCCCCCCCCCOCCCCCC 34a_100000210711_100000210314 [2,0,0,0,0,0|1,0,1]=4 345 B16R0.303 CCCCCCCCCCOCCCCCC 7a_100000210259_100000210320 [2,0,0,0,0,0|1,0,1]=4 346 B16R0.303 CCCCCCCCCCOCCCCCC 7a_100000210711_100000210314 [2,0,0,0,0,0|1,0,1]=4 347 B16R0.303 CCCCCCCCCCOCCCCCCl 34a_100000746330_100000210320 [2,0,0,0,0,0|2,0,0]=4 348 B16R0.303 CCCCCCCCCCOCCCCCCl 7a_100000746330_100000210320 [2,0,0,0,0,0|2,0,0]=4 349 B16R0.303 CCCCCCCCCCOCCCCCF 34a_100000210711_100000729378 [2,0,0,0,0,0|2,0,0]=4 350 B16R0.303 CCCCCCCCCCOCCCCCF 7a_100000210711_100000729378 [2,0,0,0,0,0|2,0,0]=4 351 B16R0.303 CCCCCCCCCCOCCCCCI 34a_200012148887_100000210320 [2,0,0,0,0,0|2,0,0]=4 352 B16R0.303 CCCCCCCCCCOCCCCCI 7a_200012148887_100000210320 [2,0,0,0,0,0|2,0,0]=4 353 B16R0.303 CCCCCCCCCCSCCCCC=O 62a_100000139335_100000210320 [2,0,0,0,0,0|1,0,0]=3 354 B16R0.303 CCCCCCCCCCSCCCCCO 62a_100000746330_100000210320 [2,0,0,0,0,0|1,0,0]=3 355 B16R0.303 CCCCCCCCCNCCCCCCC 2230a_100000212291_100000210681 [2,0,0,0,0,0|1,0,1]=4 356 B16R0.303 CCCCCCCCCNCCCCCCC 2230a_100000229938_100011214924 [2,0,0,0,0,0|1,0,1]=4 357 B16R0.303 CCCCCCCCCNCCCCCCC 34a_100000212291_100000210614 [2,0,0,0,0,0|1,0,1]=4 358 B16R0.303 CCCCCCCCCOCCCCCCBr 34a_100011215345_100011214924 [2,0,0,0,0,0|2,0,0]=4 359 B16R0.303 CCCCCCCCCOCCCCCCBr 7a_100011215345_100000210328 [2,0,0,0,0,0|2,0,0]=4 360 B16R0.303 CCCCCCCCCOCCCCCCC 34a_100000210272_100011214924 [2,0,0,0,0,0|1,0,1]=4 361 B16R0.303 CCCCCCCCCOCCCCCCC 34a_100000210712_100000210614 [2,0,0,0,0,0|1,0,1]=4 362 B16R0.303 CCCCCCCCCOCCCCCCC 7a_100000210272_100000210328 [2,0,0,0,0,0|1,0,1]=4 363 B16R0.303 CCCCCCCCCOCCCCCCC 7a_100000210712_100000210614 [2,0,0,0,0,0|1,0,1]=4 364 B16R0.303 CCCCCCCCCOCCCCCCCl 34a_100000766143_100011214924 [2,0,0,0,0,0|2,0,0]=4 365 B16R0.303 CCCCCCCCCOCCCCCCCl 7a_100000766143_100000210328 [2,0,0,0,0,0|2,0,0]=4 366 B16R0.303 CCCCCCCCCOCCCCCCF 34a_100000210712_100015922095 [2,0,0,0,0,0|2,0,0]=4 367 B16R0.303 CCCCCCCCCOCCCCCCF 34a_100000732779_100011214924 [2,0,0,0,0,0|2,0,0]=4 368 B16R0.303 CCCCCCCCCOCCCCCCF 7a_100000210712_100015922095 [2,0,0,0,0,0|2,0,0]=4 369 B16R0.303 CCCCCCCCCOCCCCCCF 7a_100000732779_100000210328 [2,0,0,0,0,0|2,0,0]=4 370 B16R0.303 CCCCCCCCCSCCCCCC=O 62a_100000139337_100000210670 [2,0,0,0,0,0|1,0,0]=3 371 B16R0.303 CCCCCCCCCSCCCCCCO 62a_100000766143_100000210670 [2,0,0,0,0,0|1,0,0]=3 372 B16R0.303 CCCCCCCCNCCCCCCCC 2230a_100000229939_100000210759 [2,0,0,0,0,0|1,0,1]=4 373 B16R0.303 CCCCCCCCNCCCCCCCC 34a_100000229939_100000210759 [2,0,0,0,0,0|1,0,1]=4 374 B16R0.303 CCCCCCCCOCCCCCCCBr 34a_100000760002_100000210759 [2,0,0,0,0,0|2,0,0]=4 375 B16R0.303 CCCCCCCCOCCCCCCCBr 7a_100000760002_100000210759 [2,0,0,0,0,0|2,0,0]=4 376 B16R0.303 CCCCCCCCOCCCCCCCC 34a_100000210232_100000210759 [2,0,0,0,0,0|1,0,1]=4 377 B16R0.303 CCCCCCCCOCCCCCCCC 7a_100000210232_100000210759 [2,0,0,0,0,0|1,0,1]=4 378 B16R0.303 CCCCCCCCSCCCCCCCO 62a_100000210759_100000760002 [2,0,0,0,0,0|1,0,0]=3 379 B16R0.303 CCCCCCCCSCCCCCCCO 62a_100000760002_100000210317 [2,0,0,0,0,0|1,0,0]=3 380 B16R0.303 CCCCCCCOCCCCCCCCBr 34a_100009813846_100000210614 [2,0,0,0,0,0|2,0,0]=4 381 B16R0.303 CCCCCCCOCCCCCCCCBr 7a_100009813846_100000210614 [2,0,0,0,0,0|2,0,0]=4 382 B16R0.303 CCCCCCCOCCCCCCCCCl 34a_100000033203_100000210614 [2,0,0,0,0,0|2,0,0]=4 383 B16R0.303 CCCCCCCOCCCCCCCCCl 7a_100000033203_100000210614 [2,0,0,0,0,0|2,0,0]=4 384 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000033203_100000210316 [2,0,0,0,0,0|1,0,0]=3 385 B16R0.303 CCCCCCCSCCCCCCCCO 62a_100000210614_100000033203 [2,0,0,0,0,0|1,0,0]=3 386 B16R0.303 CCCCCCOCCCCCCCCCBr 34a_100009813782_100000210314 [2,0,0,0,0,0|2,0,0]=4 387 B16R0.303 CCCCCCOCCCCCCCCCBr 7a_100009813782_100000210314 [2,0,0,0,0,0|2,0,0]=4 388 B16R0.303 CCCCCCOCCCCCCCCCCl 34a_100009868337_100000210314 [2,0,0,0,0,0|2,0,0]=4 389 B16R0.303 CCCCCCOCCCCCCCCCCl 7a_100009868337_100000210314 [2,0,0,0,0,0|2,0,0]=4 390 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100000210314_100009813782 [2,0,0,0,0,0|1,0,0]=3 391 B16R0.303 CCCCCCSCCCCCCCCCO 62a_100009813782_100000210757 [2,0,0,0,0,0|1,0,0]=3 392 B16R0.303 CCCCCOCCCCCCCCCCBr 34a_100009813290_100000718602 [2,0,0,0,0,0|2,0,0]=4 393 B16R0.303 CCCCCOCCCCCCCCCCBr 7a_100009813290_100000210326 [2,0,0,0,0,0|2,0,0]=4 394 B16R0.303 CCCCCOCCCCCCCCCCCl 34a_200000033068_100000718602 [2,0,0,0,0,0|2,0,0]=4 395 B16R0.303 CCCCCOCCCCCCCCCCCl 7a_200000033068_100000210326 [2,0,0,0,0,0|2,0,0]=4 396 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100000210326_200000033068 [2,0,0,0,0,0|1,0,0]=3 397 B16R0.303 CCCCCSCCCCCCCCCCO 62a_100009813290_100000210326 [2,0,0,0,0,0|1,0,0]=3 398 B16R0.303 CCCCOCCCCCCCCCCCBr 34a_100009812471_100000210210 [2,0,0,0,0,0|2,0,0]=4 399 B16R0.303 CCCCOCCCCCCCCCCCBr 7a_100009812471_100000210211 [2,0,0,0,0,0|2,0,0]=4 400 B16R0.303 CCCCSCCCCCCCCCCCO 62a_100009812471_100000210210 [2,0,0,0,0,0|1,0,0]=3 401 B16R0.303 CCCOCCCCCCCCCCCCBr 34a_100009813331_100000210303 [2,0,0,0,0,0|2,0,0]=4 402 B16R0.303 CCCOCCCCCCCCCCCCBr 7a_100009813331_100000210303 [2,0,0,0,0,0|2,0,0]=4 403 B16R0.303 CCCSCCCCCCCCCCCCO 62a_100009813331_100000210303 [2,0,0,0,0,0|1,0,0]=3 404 B16R0.303 CCOCCCCCCCCCCCCCBr 34a_100009812470_100000210202 [2,0,0,0,0,0|2,0,0]=4 405 B16R0.303 CCOCCCCCCCCCCCCCBr 7a_100009812470_100000210202 [2,0,0,0,0,0|2,0,0]=4 406 B16R0.303 CCSCCCCCCCCCCCCCO 62a_100009812470_100000210202 [2,0,0,0,0,0|1,0,0]=3 407 B16R0.303 COCCCCCCCCCCCCCCBr 34a_100009828009_200000210301 [2,0,0,0,0,0|2,0,0]=4 408 B16R0.303 COCCCCCCCCCCCCCCBr 7a_100009828009_200000210301 [2,0,0,0,0,0|2,0,0]=4 409 B16R0.303 [13CH3]OCCCCCCCCCCCCCCBr 34a_100009828009_200025704644 [2,0,0,0,0,0|2,0,0]=4 410 B16R0.303 [13CH3]OCCCCCCCCCCCCCCBr 7a_100009828009_200025704644 [2,0,0,0,0,0|2,0,0]=4 411 B18R0.94 CCCCCCCCC(C)COCCCCC(=O)C 34a_200012125181_100009817362 [1,1,0,0,0,0|2,0,0]=4 412 B18R0.94 CCCCCCCCC(C)COCCCCC(=O)C 7a_200012125181_100000735457 [1,1,0,0,0,0|2,0,0]=4 413 B18R0.171 C#CC(=O)CCCCCCCCCCCCCCC 1458a_100000211873_100000210322 [1,1,0,0,0,0|1,0,0]=3 414 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000610636 [1,1,0,0,0,0|1,0,0]=3 415 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000610636 [1,1,0,0,0,0|1,0,0]=3 416 B18R0.171 CCCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000610636 [1,1,0,0,0,0|1,0,0]=3 417 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 11a_100011217771_100000210414 [1,1,0,0,0,0|2,0,0]=4 418 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 1626a_100011217771_100000210414 [1,1,0,0,0,0|2,0,0]=4 419 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 240690a_100011217771_100000210414 [1,1,0,0,0,0|2,0,0]=4 420 B18R0.171 CCCCCCCCCCCCCCNC(=O)CC 527a_100011217771_100000210414 [1,1,0,0,0,0|2,0,0]=4 421 B18R0.171 CCCCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011934334 [1,1,0,0,0,0|1,0,0]=3 422 B18R0.171 CCCCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000759014 [1,1,0,0,0,0|1,0,0]=3 423 B18R0.171 CCCCCCCCCCCSCCCC(=O)OC 62a_100011218270_100011215454 [1,1,0,0,0,0|1,0,0]=3 424 B18R0.171 CCCCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210320 [1,1,0,0,0,0|1,0,0]=3 425 B18R0.171 CCCCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210670 [1,1,0,0,0,0|1,0,0]=3 426 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100000210759_100009815986 [1,1,0,0,0,0|1,0,0]=3 427 B18R0.171 CCCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210317 [1,1,0,0,0,0|1,0,0]=3 428 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100000210614_100010004213 [1,1,0,0,0,0|1,0,0]=3 429 B18R0.171 CCCCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210316 [1,1,0,0,0,0|1,0,0]=3 430 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100000210314_100010282707 [1,1,0,0,0,0|1,0,0]=3 431 B18R0.171 CCCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210757 [1,1,0,0,0,0|1,0,0]=3 432 B18R0.171 CCCCCSCCCCCCCCCC(=O)OC 62a_100000210326_100009813843 [1,1,0,0,0,0|1,0,0]=3 433 B18R0.171 CCCCSCCCCCCCCCCC(=O)OC 62a_100000210211_100009812566 [1,1,0,0,0,0|1,0,0]=3 434 B18R0.171 CCCSCCCCCCCCCCCC(=O)OC 62a_100000210303_100010983606 [1,1,0,0,0,0|1,0,0]=3 435 B18R0.171 CCSCCCCCCCCCCCCC(=O)OC 62a_100000210202_209314222159 [1,1,0,0,0,0|1,0,0]=3 436 B18R0.171 COC(=O)CCCCCCCCCCCCSCF 62a_100015361967_209314222159 [1,1,0,0,0,0|2,0,0]=4 437 B18R0.171 COC(=O)CCCCCCCCCCCSCSC 62a_100011218213_100010983606 [1,1,0,0,0,0|2,0,0]=4 438 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210684 [1,1,0,0,0,0|2,0,0]=4 439 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)C 7a_100000185773_100000179758 [1,1,0,0,0,0|2,0,0]=4 440 B18R0.174 CCCCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000759014 [1,1,0,0,0,0|2,0,0]=4 441 B18R0.174 CCCCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000759014 [1,1,0,0,0,0|2,0,0]=4 442 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210736_100011215641 [1,1,0,0,0,0|1,0,1]=4 443 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)C 7a_100011217895_100000053229 [1,1,0,0,0,0|2,0,0]=4 444 B18R0.11628 CCCCCCCCCC(C)OCCCCC(=O)C 34a_100011218016_100009817362 [1,1,0,0,0,0|2,0,0]=4 445 B18R0.11628 CCCCCCCCCC(C)OCCCCC(=O)C 7a_100011218016_100000735457 [1,1,0,0,0,0|2,0,0]=4 446 B18R0.17430 CCCCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210375_100000735457 [1,1,0,0,0,0|1,0,1]=4 447 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)C 34a_100011215000_100000685027 [1,1,0,0,0,0|2,0,0]=4 448 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)C 7a_100011215000_100011215641 [1,1,0,0,0,0|2,0,0]=4 449 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)C 34a_100000211253_200011217028 [1,1,0,0,0,0|2,0,0]=4 450 B18R0.221 CCCCC#CCCCCCCSCCCCC=O 62a_100000139335_200000043322 [1,1,0,0,0,0|0,0,2]=4 451 B18R0.221 CCCCC#CCCCCCCSCCCCC=O 62a_200000043322_100000139335 [1,1,0,0,0,0|0,0,2]=4 452 B20R0.3034 CC#CCSCCCCCCCCCCCCC(=O)OC 62a_100000748600_209314222159 [0,2,0,0,0,0|0,0,2]=4 453 B20R0.3034 CCC#CCCCCCCSCCCCCCC(=O)OC 62a_100009815986_200000036426 [0,2,0,0,0,0|0,0,2]=4 454 B20R0.3034 CCC#CCCCCCCSCCCCCCC(=O)OC 62a_200000036426_100009815986 [0,2,0,0,0,0|0,0,2]=4 455 B20R0.3034 CCC#CCSCCCCCCCCCCCC(=O)OC 62a_100009813939_100010983606 [0,2,0,0,0,0|0,0,2]=4 456 B20R0.3034 CCCCC#CCCCCCCSCCCCC(=O)OC 62a_100000204269_200000043322 [0,2,0,0,0,0|0,0,2]=4 457 B20R0.3034 CCCCC#CCCCCCCSCCCCC(=O)OC 62a_200000043322_100000204269 [0,2,0,0,0,0|0,0,2]=4 458 B20R0.3034 CCCCC#CCCCSCCCCCCCC(=O)OC 62a_100010004213_200000047210 [0,2,0,0,0,0|0,0,2]=4 459 B20R0.3034 CCCCC#CCCCSCCCCCCCC(=O)OC 62a_200000047210_100010004213 [0,2,0,0,0,0|0,0,2]=4 460 B20R0.3034 CCCCCC#CCSCCCCCCCCC(=O)OC 62a_100009816472_100010282707 [0,2,0,0,0,0|0,0,2]=4 461 B20R0.3034 CCCCCC#CCSCCCCCCCCC(=O)OC 62a_100010282707_100009816472 [0,2,0,0,0,0|0,0,2]=4 462 B20R0.3034 CCCCCCCCC#CCCCCCCCC(=O)NC 11a_106832991635_200000124685 [0,2,0,0,0,0|1,0,1]=4 463 B20R0.3034 CCCCCCCCC#CCCCCCCCC(=O)NC 1626a_100102657272_200000124685 [0,2,0,0,0,0|1,0,1]=4 464 B20R0.3034 CCCCCCCCC#CCCCCCCCC(=O)NC 240690a_100102657272_200000124685 [0,2,0,0,0,0|1,0,1]=4 465 B20R0.3034 CCCCCCCCC#CCCCCCCCC(=O)NC 527a_100102657272_200000124685 [0,2,0,0,0,0|1,0,1]=4 466 B20R0.3037 CCCCCCCCCCCCCCCNC(=O)N(C)C 2708a_200000297553_100102631434 [0,2,0,0,0,0|2,0,0]=4 467 B18R1.8743 CCCCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000759014 [1,0,0,1,0,0|2,0,0]=4 468 B18R1.8743 CCCCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100011215454 [1,0,0,1,0,0|2,0,0]=4 469 B18R1.292 C=CCCCCCCCCCCCN1CCCC1 2230a_100000188435_102130925996 [1,0,0,1,0,0|2,0,0]=4 470 B18R1.292 C=CCCCCCCCCCCCN1CCCC1 269982a_100000188435_102130925996 [1,0,0,1,0,0|2,0,0]=4 471 B18R1.292 C=CCCCCCCCCCCNC1CCCC1 2230a_100000211070_100011093070 [1,0,0,1,0,0|2,0,0]=4 472 B18R1.292 C=CCCCCCCCCCCNC1CCCC1 34a_100000211070_100011093070 [1,0,0,1,0,0|2,0,0]=4 473 B18R1.292 C=CCCCCCCCCCCOC1CCCC1 34a_100000210269_100011093070 [1,0,0,1,0,0|2,0,0]=4 474 B18R1.292 C=CCCCCCCCCCCOC1CCCC1 7a_100000210269_100011093070 [1,0,0,1,0,0|2,0,0]=4 475 B18R1.292 C=CCCCCCCCCCNCC1CCCC1 2230a_100000081888_100000740388 [1,0,0,1,0,0|2,0,0]=4 476 B18R1.292 C=CCCCCCCCCCNCC1CCCC1 2230a_100000737975_100009814027 [1,0,0,1,0,0|2,0,0]=4 477 B18R1.292 C=CCCCCCCCCCNCC1CCCC1 269862a_100000081888_100000746403 [1,0,0,1,0,0|2,0,0]=4 478 B18R1.292 C=CCCCCCCCCCNCC1CCCC1 34a_100000081888_100000740388 [1,0,0,1,0,0|2,0,0]=4 479 B18R1.292 C=CCCCCCCCCCNCC1CCCC1 34a_100000737975_100009814027 [1,0,0,1,0,0|2,0,0]=4 480 B18R1.292 C=CCCCCCCCCCOCC1CCCC1 34a_100000038209_100000740388 [1,0,0,1,0,0|2,0,0]=4 481 B18R1.292 C=CCCCCCCCCCOCC1CCCC1 34a_100000742336_100009814027 [1,0,0,1,0,0|2,0,0]=4 482 B18R1.292 C=CCCCCCCCCCOCC1CCCC1 7a_100000038209_100000740388 [1,0,0,1,0,0|2,0,0]=4 483 B18R1.292 C=CCCCCCCCCCOCC1CCCC1 7a_100000742336_100009814027 [1,0,0,1,0,0|2,0,0]=4 484 B18R1.292 C=CCCCCCCCCNCCC1CCCC1 2230a_100000739158_100011933949 [1,0,0,1,0,0|2,0,0]=4 485 B18R1.292 C=CCCCCCCCCNCCC1CCCC1 34a_100000739158_100011933949 [1,0,0,1,0,0|2,0,0]=4 486 B18R1.292 C=CCCCCCCCCOCCC1CCCC1 34a_100000749090_100011933949 [1,0,0,1,0,0|2,0,0]=4 487 B18R1.292 C=CCCCCCCCCOCCC1CCCC1 34a_100011215194_100000760354 [1,0,0,1,0,0|2,0,0]=4 488 B18R1.292 C=CCCCCCCCCOCCC1CCCC1 7a_100000749090_100011933949 [1,0,0,1,0,0|2,0,0]=4 489 B18R1.292 C=CCCCCCCCCOCCC1CCCC1 7a_100011215194_100000760354 [1,0,0,1,0,0|2,0,0]=4 490 B18R1.292 C=CCCCCCCCNCCCC1CCCC1 2230a_100000736752_100012355270 [1,0,0,1,0,0|2,0,0]=4 491 B18R1.292 C=CCCCCCCCNCCCC1CCCC1 34a_100000736752_100012355270 [1,0,0,1,0,0|2,0,0]=4 492 B18R1.292 C=CCCCCCCCOCCCC1CCCC1 34a_100000730831_100011713738 [1,0,0,1,0,0|2,0,0]=4 493 B18R1.292 C=CCCCCCCCOCCCC1CCCC1 34a_100011215328_100012355270 [1,0,0,1,0,0|2,0,0]=4 494 B18R1.292 C=CCCCCCCCOCCCC1CCCC1 7a_100000730831_100011713738 [1,0,0,1,0,0|2,0,0]=4 495 B18R1.292 C=CCCCCCCCOCCCC1CCCC1 7a_100011215328_100012355270 [1,0,0,1,0,0|2,0,0]=4 496 B18R1.292 CCCCCCCCCCCCOC1CCCO1 34a_100000085407_100000759014 [1,0,0,1,0,0|1,0,1]=4 497 B18R1.292 CCCCCCCCCCCSCC1CCCO1 62a_100000203698_100011215454 [1,0,0,1,0,0|1,0,1]=4 498 B18R1.292 OCCCCCCCCCCCSC1CCCC1 62a_100009812471_100000179811 [1,0,0,1,0,0|1,0,1]=4 499 B18R1.292 OCCCCCCCCCCSCC1CCCC1 62a_100000740388_200000033068 [1,0,0,1,0,0|1,0,1]=4 500 B18R1.292 OCCCCCCCCCCSCC1CCCC1 62a_100009813290_100000740388 [1,0,0,1,0,0|1,0,1]=4 501 B18R1.292 OCCCCCCCCCSCCC1CCCC1 62a_100000760354_100009813782 [1,0,0,1,0,0|1,0,1]=4 502 B18R1.292 OCCCCCCCCCSCCC1CCCC1 62a_100009813782_100000760354 [1,0,0,1,0,0|1,0,1]=4 503 B18R1.292 OCCCCCCCCSCCCC1CCCC1 62a_100000033203_100011713738 [1,0,0,1,0,0|1,0,1]=4 504 B18R1.292 OCCCCCCCCSCCCC1CCCC1 62a_100011713738_100000033203 [1,0,0,1,0,0|1,0,1]=4 505 B18R1.317 C=CCCCCCCCCCN1CCCCC1C 2230a_100000211376_100009814027 [1,0,0,1,0,0|2,0,0]=4 506 B18R1.317 C=CCCCCCCCCCN1CCCCC1C 269982a_100000211376_100009814027 [1,0,0,1,0,0|2,0,0]=4 507 B18R1.317 C=CCCCCCCCCCN1CCCCC1C 34a_100000211376_100009814027 [1,0,0,1,0,0|2,0,0]=4 508 B18R1.317 C=CCCCCCCCCNC1CCCCC1C 2230a_100000211402_100011933949 [1,0,0,1,0,0|2,0,0]=4 509 B18R1.317 C=CCCCCCCCCNC1CCCCC1C 34a_100000211402_100011933949 [1,0,0,1,0,0|2,0,0]=4 510 B18R1.317 C=CCCCCCCCCOC1CCCCC1C 34a_100000211207_100011933949 [1,0,0,1,0,0|2,0,0]=4 511 B18R1.317 C=CCCCCCCCCOC1CCCCC1C 7a_100000211207_100011933949 [1,0,0,1,0,0|2,0,0]=4 512 B18R1.317 CCCCCCCCCCSC1CCCCC1=O 62a_100000204591_100000210320 [1,0,0,1,0,0|1,0,0]=3 513 B18R1.317 CCCCCCCCCCSC1CCCCC1O 62a_100000038908_100000210320 [1,0,0,1,0,0|1,0,1]=4 514 B18R1.318 C=CCCCCCCCCCN1CCCC1CC 2230a_100000754278_100009814027 [1,0,0,1,0,0|2,0,0]=4 515 B18R1.318 C=CCCCCCCCCCN1CCCC1CC 269982a_100000754278_100009814027 [1,0,0,1,0,0|2,0,0]=4 516 B18R1.318 C=CCCCCCCCCCN1CCCC1CC 34a_100000754278_100009814027 [1,0,0,1,0,0|2,0,0]=4 517 B18R1.1261 C=CCCCCCCCCCNC1CCCCC1 2230a_100000182618_100009814027 [1,0,0,1,0,0|2,0,0]=4 518 B18R1.1261 C=CCCCCCCCCCNC1CCCCC1 270004a_100000081888_100000210434 [1,0,0,1,0,0|2,0,0]=4 519 B18R1.1261 C=CCCCCCCCCCNC1CCCCC1 34a_100000081888_100000210327 [1,0,0,1,0,0|2,0,0]=4 520 B18R1.1261 C=CCCCCCCCCCNC1CCCCC1 34a_100000182618_100009814027 [1,0,0,1,0,0|2,0,0]=4 521 B18R1.1261 C=CCCCCCCCCCOC1CCCCC1 34a_100000038209_100000210327 [1,0,0,1,0,0|2,0,0]=4 522 B18R1.1261 C=CCCCCCCCCCOC1CCCCC1 34a_100000210231_100009814027 [1,0,0,1,0,0|2,0,0]=4 523 B18R1.1261 C=CCCCCCCCCCOC1CCCCC1 7a_100000038209_100000210327 [1,0,0,1,0,0|2,0,0]=4 524 B18R1.1261 C=CCCCCCCCCCOC1CCCCC1 7a_100000210231_100009814027 [1,0,0,1,0,0|2,0,0]=4 525 B18R1.1261 C=CCCCCCCCCNCC1CCCCC1 2230a_100000210473_100011933949 [1,0,0,1,0,0|2,0,0]=4 526 B18R1.1261 C=CCCCCCCCCNCC1CCCCC1 34a_100000210473_100011933949 [1,0,0,1,0,0|2,0,0]=4 527 B18R1.1261 C=CCCCCCCCCOCC1CCCCC1 34a_100000212181_100011933949 [1,0,0,1,0,0|2,0,0]=4 528 B18R1.1261 C=CCCCCCCCCOCC1CCCCC1 34a_100011215194_100000211423 [1,0,0,1,0,0|2,0,0]=4 529 B18R1.1261 C=CCCCCCCCCOCC1CCCCC1 7a_100000212181_100011933949 [1,0,0,1,0,0|2,0,0]=4 530 B18R1.1261 C=CCCCCCCCCOCC1CCCCC1 7a_100011215194_100000211423 [1,0,0,1,0,0|2,0,0]=4 531 B18R1.1261 C=CCCCCCCCNCCC1CCCCC1 2230a_100000738074_100012355270 [1,0,0,1,0,0|2,0,0]=4 532 B18R1.1261 C=CCCCCCCCNCCC1CCCCC1 34a_100000738074_100012355270 [1,0,0,1,0,0|2,0,0]=4 533 B18R1.1261 C=CCCCCCCCOCCC1CCCCC1 34a_100000730831_100011209188 [1,0,0,1,0,0|2,0,0]=4 534 B18R1.1261 C=CCCCCCCCOCCC1CCCCC1 34a_100011217863_100012355270 [1,0,0,1,0,0|2,0,0]=4 535 B18R1.1261 C=CCCCCCCCOCCC1CCCCC1 7a_100000730831_100011273959 [1,0,0,1,0,0|2,0,0]=4 536 B18R1.1261 C=CCCCCCCCOCCC1CCCCC1 7a_100011217863_100012355270 [1,0,0,1,0,0|2,0,0]=4 537 B18R1.1261 C=CCCCCCCNCCCC1CCCCC1 2230a_100011211642_100011215473 [1,0,0,1,0,0|2,0,0]=4 538 B18R1.1261 C=CCCCCCCNCCCC1CCCCC1 34a_100011211642_100011215473 [1,0,0,1,0,0|2,0,0]=4 539 B18R1.1261 C=CCCCCCCOCCCC1CCCCC1 34a_100000198086_100011215473 [1,0,0,1,0,0|2,0,0]=4 540 B18R1.1261 C=CCCCCCCOCCCC1CCCCC1 34a_200011216477_100011713725 [1,0,0,1,0,0|2,0,0]=4 541 B18R1.1261 C=CCCCCCCOCCCC1CCCCC1 7a_100000198086_100011215473 [1,0,0,1,0,0|2,0,0]=4 542 B18R1.1261 C=CCCCCCCOCCCC1CCCCC1 7a_200011216477_100011713725 [1,0,0,1,0,0|2,0,0]=4 543 B18R1.1261 C=CCCCCCOCCCCC1CCCCC1 34a_100011215267_100000700193 [1,0,0,1,0,0|2,0,0]=4 544 B18R1.1261 C=CCCCCCOCCCCC1CCCCC1 7a_100011215267_100000700193 [1,0,0,1,0,0|2,0,0]=4 545 B18R1.1261 CCCCCCCCCCCNC1C=CCCC1 2230a_200011215754_100000751183 [1,0,0,1,0,0|2,0,0]=4 546 B18R1.1261 CCCCCCCCCCCOC1C=CCCC1 34a_100011215024_100011215454 [1,0,0,1,0,0|2,0,0]=4 547 B18R1.1261 CCCCCCCCCCCOC1C=CCCC1 7a_100000210809_100000751183 [1,0,0,1,0,0|2,0,0]=4 548 B18R1.1261 CCCCCCCCCCCOC1CCCCO1 34a_100000033831_100011215454 [1,0,0,1,0,0|1,0,1]=4 549 B18R1.1261 CCCCCCCCCCSCC1CCCCO1 62a_100000211543_100000210320 [1,0,0,1,0,0|1,0,1]=4 550 B18R1.1261 OCCCCCCCCCCSC1CCCCC1 62a_100000210327_200000033068 [1,0,0,1,0,0|1,0,1]=4 551 B18R1.1261 OCCCCCCCCCCSC1CCCCC1 62a_100009813290_100000210327 [1,0,0,1,0,0|1,0,1]=4 552 B18R1.1261 OCCCCCCCCCSCC1CCCCC1 62a_100000211423_100009813782 [1,0,0,1,0,0|1,0,1]=4 553 B18R1.1261 OCCCCCCCCCSCC1CCCCC1 62a_100009813782_100000211423 [1,0,0,1,0,0|1,0,1]=4 554 B18R1.1261 OCCCCCCCCSCCC1CCCCC1 62a_100000033203_100012355289 [1,0,0,1,0,0|1,0,1]=4 555 B18R1.1261 OCCCCCCCCSCCC1CCCCC1 62a_100012355289_100000033203 [1,0,0,1,0,0|1,0,1]=4 556 B18R1.1261 OCCCCCCCSCCCC1CCCCC1 62a_100000760002_100011713725 [1,0,0,1,0,0|1,0,1]=4 557 B18R1.1261 OCCCCCCCSCCCC1CCCCC1 62a_100011713725_100000760002 [1,0,0,1,0,0|1,0,1]=4 558 B18R1.1280 CCCCCCCCCSC1CCCCCC1=O 62a_100000243696_100000210670 [1,0,0,1,0,0|1,0,0]=3 559 B18R1.4113 C=CCCCCCCCCN1CCCCC1CC 2230a_100000210034_100011933949 [1,0,0,1,0,0|2,0,0]=4 560 B18R1.4113 C=CCCCCCCCCN1CCCCC1CC 269982a_100000210034_100011933949 [1,0,0,1,0,0|2,0,0]=4 561 B18R1.4113 C=CCCCCCCCCN1CCCCC1CC 34a_100000210034_100011933949 [1,0,0,1,0,0|2,0,0]=4 562 B18R1.4113 C=CCCCCCCCOC1CCCCC1CC 34a_100000210738_100012355270 [1,0,0,1,0,0|2,0,0]=4 563 B18R1.4113 C=CCCCCCCCOC1CCCCC1CC 7a_100000210738_100012355270 [1,0,0,1,0,0|2,0,0]=4 564 B18R1.4139 C=CCCCCNC1CCCC1CCCCCC 269862a_100000703577_100000189428 [1,0,0,1,0,0|2,0,0]=4 565 B18R1.4139 C=CCCCCNC1CCCC1CCCCCC 270004a_100000703577_100000189428 [1,0,0,1,0,0|2,0,0]=4 566 B18R1.4139 C=CCCCNC1CCCC1CCCCCCC 269862a_100000700776_200011216720 [1,0,0,1,0,0|2,0,0]=4 567 B18R1.4139 C=CCCCNC1CCCC1CCCCCCC 270004a_100000700776_200011216720 [1,0,0,1,0,0|2,0,0]=4 568 B18R1.5429 C=CCCCCCCCCCCCNC1CCC1 2230a_100000749019_102130925996 [1,0,0,1,0,0|2,0,0]=4 569 B18R1.5429 C=CCCCCCCCCCCCNC1CCC1 34a_100000749019_102130925996 [1,0,0,1,0,0|2,0,0]=4 570 B18R1.5429 C=CCCCCCCCCCCCOC1CCC1 34a_100000748187_102130925996 [1,0,0,1,0,0|2,0,0]=4 571 B18R1.5429 C=CCCCCCCCCCCNCC1CCC1 2230a_100000738700_100011093070 [1,0,0,1,0,0|2,0,0]=4 572 B18R1.5429 C=CCCCCCCCCCCNCC1CCC1 34a_100000738700_100011093070 [1,0,0,1,0,0|2,0,0]=4 573 B18R1.5429 C=CCCCCCCCCCCOCC1CCC1 34a_100000760304_100011093070 [1,0,0,1,0,0|2,0,0]=4 574 B18R1.5429 CCCCCCCCCCCCSCC1CCO1 62a_100000103362_100000759014 [1,0,0,1,0,0|1,0,1]=4 575 B18R1.5429 OCCCCCCCCCCCCSC1CCC1 62a_100009813331_100000749161 [1,0,0,1,0,0|1,0,1]=4 576 B18R1.5429 OCCCCCCCCCCCSCC1CCC1 62a_100009812471_100000763275 [1,0,0,1,0,0|1,0,1]=4 577 B18R1.13144 C=CCCCCCCCCCN1CCCCCC1 2230a_100000185865_100009814027 [1,0,0,1,0,0|2,0,0]=4 578 B18R1.13144 C=CCCCCCCCCCN1CCCCCC1 269982a_100000185865_100009814027 [1,0,0,1,0,0|2,0,0]=4 579 B18R1.13144 C=CCCCCCCCCCN1CCCCCC1 34a_100000185865_100009814027 [1,0,0,1,0,0|2,0,0]=4 580 B18R1.13144 C=CCCCCCCCCNC1CCCCCC1 2230a_100000210984_100011933949 [1,0,0,1,0,0|2,0,0]=4 581 B18R1.13144 C=CCCCCCCCCNC1CCCCCC1 34a_100000210984_100011933949 [1,0,0,1,0,0|2,0,0]=4 582 B18R1.13144 C=CCCCCCCCCOC1CCCCCC1 34a_100000210887_100011933949 [1,0,0,1,0,0|2,0,0]=4 583 B18R1.13144 C=CCCCCCCCCOC1CCCCCC1 34a_100011215194_100011217769 [1,0,0,1,0,0|2,0,0]=4 584 B18R1.13144 C=CCCCCCCCCOC1CCCCCC1 7a_100000210887_100011933949 [1,0,0,1,0,0|2,0,0]=4 585 B18R1.13144 C=CCCCCCCCNCC1CCCCCC1 2230a_100015204231_100012355270 [1,0,0,1,0,0|2,0,0]=4 586 B18R1.13144 C=CCCCCCCCNCC1CCCCCC1 34a_100015204231_100012355270 [1,0,0,1,0,0|2,0,0]=4 587 B18R1.13144 C=CCCCCCCCOCC1CCCCCC1 34a_100000699130_100012355270 [1,0,0,1,0,0|2,0,0]=4 588 B18R1.13144 C=CCCCCCCCOCC1CCCCCC1 34a_100000730831_200000696569 [1,0,0,1,0,0|2,0,0]=4 589 B18R1.13144 C=CCCCCCCCOCC1CCCCCC1 7a_100000699130_100012355270 [1,0,0,1,0,0|2,0,0]=4 590 B18R1.13144 C=CCCCCCCCOCC1CCCCCC1 7a_100000730831_200000696569 [1,0,0,1,0,0|2,0,0]=4 591 B18R1.13144 C=CCCCCCCNCCC1CCCCCC1 2230a_100011532351_100011215473 [1,0,0,1,0,0|2,0,0]=4 592 B18R1.13144 C=CCCCCCCNCCC1CCCCCC1 34a_100011532351_100011215473 [1,0,0,1,0,0|2,0,0]=4 593 B18R1.13144 OCCCCCCCCCSC1CCCCCC1 62a_100009813782_100011217769 [1,0,0,1,0,0|1,0,1]=4 594 B18R1.13144 OCCCCCCCCCSC1CCCCCC1 62a_100011217769_100009813782 [1,0,0,1,0,0|1,0,1]=4 595 B18R1.13144 OCCCCCCCCSCC1CCCCCC1 62a_100000033203_200000696569 [1,0,0,1,0,0|1,0,1]=4 596 B18R1.13144 OCCCCCCCCSCC1CCCCCC1 62a_200000696569_100000033203 [1,0,0,1,0,0|1,0,1]=4 597 B18R1.21916 C=CCCCCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011093070 [1,0,0,1,0,0|2,0,0]=4 598 B18R1.21916 C=CCCCCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011093070 [1,0,0,1,0,0|2,0,0]=4 599 B18R1.21916 C=CCCCCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011093070 [1,0,0,1,0,0|2,0,0]=4 600 B18R1.21916 C=CCCCCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011093070 [1,0,0,1,0,0|2,0,0]=4 601 B18R1.21916 C=CCCCCCCCCCCN1CCC[C@H]1C 34a_100015189458_100011093070 [1,0,0,1,0,0|2,0,0]=4 602 B18R1.21916 C=CCCCCCCCCCNC1CCCC1C 269862a_100000081888_100000752053 [1,0,0,1,0,0|2,0,0]=4 603 B18R1.21916 C=CCCCCCCCCCOC1CCCC1C 34a_100011216460_100009814027 [1,0,0,1,0,0|2,0,0]=4 604 B18R1.21916 C=CCCCCCCCCCOC1CCCC1C 7a_100011216460_100009814027 [1,0,0,1,0,0|2,0,0]=4 605 B18R1.21916 CCCCCCCCCCCSC1CCCC1=O 62a_100000211823_100011215454 [1,0,0,1,0,0|1,0,0]=3 606 B18R1.21916 CCCCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215454 [1,0,0,1,0,0|1,0,1]=4 607 B18R1.21926 C=CCCCCCCCCCCCN1CCC1C 269982a_100000755817_102130925996 [1,0,0,1,0,0|2,0,0]=4 608 B18R1.21926 C=CCCCCCCCCCCCN1CCC1C 34a_100000755817_102130925996 [1,0,0,1,0,0|2,0,0]=4 609 B18R1.21926 CCCCCCCCCCCCSC1CCC1=O 62a_100009892977_100000759014 [1,0,0,1,0,0|1,0,0]=3 610 B18R1.21926 CCCCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210320 [1,0,0,1,0,0|1,0,0]=3 611 B18R1.21949 CCCCSC1CCCCCCCCCCC1=O 62a_100000210211_200009990614 [1,0,0,1,0,0|1,0,0]=3 612 B18R1.21949 CCCCSC1CCCCCCCCCCC1=O 62a_200009990614_100000210210 [1,0,0,1,0,0|1,0,0]=3 613 B18R1.23376 C=CCCCNC1CCCCCCCCCCC1 2230a_100011194316_100011713584 [1,0,0,1,0,0|2,0,0]=4 614 B18R1.23376 C=CCCCNC1CCCCCCCCCCC1 270004a_100000700776_100000210130 [1,0,0,1,0,0|2,0,0]=4 615 B18R1.23376 C=CCCCNC1CCCCCCCCCCC1 34a_100011194316_100000757094 [1,0,0,1,0,0|2,0,0]=4 616 B18R1.23376 C=CCCCOC1CCCCCCCCCCC1 34a_100000211378_100000757094 [1,0,0,1,0,0|2,0,0]=4 617 B18R1.23376 C=CCCCOC1CCCCCCCCCCC1 7a_100000211378_100000757094 [1,0,0,1,0,0|2,0,0]=4 618 B18R1.35414 C=CCC1CCCCC1NCCCCCCCC 269862a_100000229939_100011214939 [1,0,0,1,0,0|2,0,0]=4 619 B18R1.35414 C=CCC1CCCCC1NCCCCCCCC 270004a_100000229939_100011214939 [1,0,0,1,0,0|2,0,0]=4 620 B18R1.35414 C=CCCCCCCCN1CCCCC1CCC 2230a_100000701414_100012355270 [1,0,0,1,0,0|2,0,0]=4 621 B18R1.35414 C=CCCCCCCCN1CCCCC1CCC 269982a_100000701414_100012355270 [1,0,0,1,0,0|2,0,0]=4 622 B18R1.35414 C=CCCCCCCCN1CCCCC1CCC 34a_100000701414_100012355270 [1,0,0,1,0,0|2,0,0]=4 623 B18R1.35414 C=CCCCCCCOC1CCCCC1CCC 34a_100011217265_100011215473 [1,0,0,1,0,0|2,0,0]=4 624 B18R1.35414 C=CCCCCCCOC1CCCCC1CCC 7a_100011217265_100011215473 [1,0,0,1,0,0|2,0,0]=4 625 B18R1.35418 C=CCCCCCCCN1CCCCCCCC1 2230a_100000039187_100012355270 [1,0,0,1,0,0|2,0,0]=4 626 B18R1.35418 C=CCCCCCCCN1CCCCCCCC1 269982a_100000039187_100012355270 [1,0,0,1,0,0|2,0,0]=4 627 B18R1.35418 C=CCCCCCCCN1CCCCCCCC1 34a_100000039187_100012355270 [1,0,0,1,0,0|2,0,0]=4 628 B18R1.40549 C=CCCCCCCCCN1CCCCCCC1 2230a_100000211400_100011933949 [1,0,0,1,0,0|2,0,0]=4 629 B18R1.40549 C=CCCCCCCCCN1CCCCCCC1 269982a_100000211400_100011933949 [1,0,0,1,0,0|2,0,0]=4 630 B18R1.40549 C=CCCCCCCCCN1CCCCCCC1 34a_100000211400_100011933949 [1,0,0,1,0,0|2,0,0]=4 631 B18R1.40549 C=CCCCCCCCNC1CCCCCCC1 2230a_100000211152_100012355270 [1,0,0,1,0,0|2,0,0]=4 632 B18R1.40549 C=CCCCCCCCNC1CCCCCCC1 34a_100000211152_100012355270 [1,0,0,1,0,0|2,0,0]=4 633 B18R1.40549 C=CCCCCCCCOC1CCCCCCC1 34a_100000210054_100012355270 [1,0,0,1,0,0|2,0,0]=4 634 B18R1.40549 C=CCCCCCCCOC1CCCCCCC1 7a_100000210054_100012355270 [1,0,0,1,0,0|2,0,0]=4 635 B18R1.40549 C=CCCCCCCOCC1CCCCCCC1 34a_100011216312_100011215473 [1,0,0,1,0,0|2,0,0]=4 636 B18R1.40549 C=CCCCCCCOCC1CCCCCCC1 7a_100011216312_100011215473 [1,0,0,1,0,0|2,0,0]=4 637 B18R1.40549 C=CCCCCCNCCC1CCCCCCC1 2230a_100011532352_100000700193 [1,0,0,1,0,0|2,0,0]=4 638 B18R1.40549 C=CCCCCCNCCC1CCCCCCC1 34a_100011532352_100000700193 [1,0,0,1,0,0|2,0,0]=4 639 B18R1.40549 CCCCCCCCCOC1C=CCCCCC1 34a_100000688657_100011214924 [1,0,0,1,0,0|2,0,0]=4 640 B20R1.3309 CCCCCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210684 [0,1,0,1,0,0|1,0,0]=3 641 B20R1.3309 CCCCCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000759014 [0,1,0,1,0,0|1,0,0]=3 642 B20R1.18844 CCCCCCCCCCCCC(=O)CC1CC(=O)C1 1458a_100011215791_100009874392 [0,1,0,1,0,0|1,0,1]=4 643 B20R1.393 CCCCCCCCCCCCOC1CCC(=O)CC1 34a_100000764474_100000759014 [0,1,0,1,0,0|2,0,0]=4 644 B20R1.393 CCCCCCCCCCCCOC1CCC(=O)CC1 7a_100000764474_100000759014 [0,1,0,1,0,0|2,0,0]=4 645 B20R1.393 CCCCCCCCCCCOCC1CCC(=O)CC1 34a_100000062911_100011215454 [0,1,0,1,0,0|2,0,0]=4 646 B20R1.54241 COC(=O)CCCCCCCCCCSCC1CCC1 62a_100000763275_100009812566 [0,1,0,1,0,0|1,0,0]=3 647 B20R1.55044 COC(=O)CCCCCCCCCCSC1CCCC1 62a_100011217020_100009812566 [0,1,0,1,0,0|1,0,0]=3 648 B20R1.55044 COC(=O)CCCCCCCCCSCC1CCCC1 62a_100000740388_100009813843 [0,1,0,1,0,0|1,0,0]=3 649 B20R1.55044 COC(=O)CCCCCCCCSCCC1CCCC1 62a_100000760354_100010282707 [0,1,0,1,0,0|1,0,0]=3 650 B20R1.55044 COC(=O)CCCCCCCCSCCC1CCCC1 62a_100010282707_100000760354 [0,1,0,1,0,0|1,0,0]=3 651 B20R1.55044 COC(=O)CCCCCCCSCCCC1CCCC1 62a_100010004213_100011713738 [0,1,0,1,0,0|1,0,0]=3 652 B20R1.55044 COC(=O)CCCCCCCSCCCC1CCCC1 62a_100011713738_100010004213 [0,1,0,1,0,0|1,0,0]=3 653 B20R1.63354 COC(=O)CCCCCCCCCCCSCC1CC1 62a_100000756562_100010983606 [0,1,0,1,0,0|1,0,0]=3 654 B20R1.63354 COC(=O)CCCCCCCCCCSCCC1CC1 62a_100000764125_100009812566 [0,1,0,1,0,0|1,0,0]=3 655 B20R1.65971 CCCCCCCCCCCCCCNC1CCC1=O 34a_100011217771_100009892977 [0,1,0,1,0,0|2,0,0]=4 656 B20R1.65971 CCCCCCCCCCCCCCOC1CCC1=O 34a_100000210739_100009892977 [0,1,0,1,0,0|2,0,0]=4 657 B20R1.65971 CCCCCCCCCCCCCCOC1CCC1=O 7a_100000210739_100009892977 [0,1,0,1,0,0|2,0,0]=4 658 B20R1.65971 CCCCCCCCCCCCOCCC1CCC1=O 7a_100000210810_200016118888 [0,1,0,1,0,0|2,0,0]=4 659 B20R1.80299 COC(=O)CCCCCCCCCSC1CCCCC1 62a_100000210327_100009813843 [0,1,0,1,0,0|1,0,0]=3 660 B20R1.80299 COC(=O)CCCCCCCCSCC1CCCCC1 62a_100000211423_100010282707 [0,1,0,1,0,0|1,0,0]=3 661 B20R1.80299 COC(=O)CCCCCCCCSCC1CCCCC1 62a_100010282707_100000211423 [0,1,0,1,0,0|1,0,0]=3 662 B20R1.80299 COC(=O)CCCCCCCSCCC1CCCCC1 62a_100010004213_100012355289 [0,1,0,1,0,0|1,0,0]=3 663 B20R1.80299 COC(=O)CCCCCCCSCCC1CCCCC1 62a_100012355289_100010004213 [0,1,0,1,0,0|1,0,0]=3 664 B20R1.80299 COC(=O)CCCCCCSCCCC1CCCCC1 62a_100009815986_100011713725 [0,1,0,1,0,0|1,0,0]=3 665 B20R1.80299 COC(=O)CCCCCCSCCCC1CCCCC1 62a_100011713725_100009815986 [0,1,0,1,0,0|1,0,0]=3 666 B20R1.625247 COC(=O)CCCCCCCCSC1CCCCCC1 62a_100010282707_100011217769 [0,1,0,1,0,0|1,0,0]=3 667 B20R1.625247 COC(=O)CCCCCCCCSC1CCCCCC1 62a_100011217769_100010282707 [0,1,0,1,0,0|1,0,0]=3 668 B20R1.625247 COC(=O)CCCCCCCSCC1CCCCCC1 62a_100010004213_200000696569 [0,1,0,1,0,0|1,0,0]=3 669 B20R1.625247 COC(=O)CCCCCCCSCC1CCCCCC1 62a_200000696569_100010004213 [0,1,0,1,0,0|1,0,0]=3 670 B20R1.250 CCCCCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000759014 [0,1,0,1,0,0|1,0,0]=3 671 B20R1.30779 NC(=O)CCCCCCCCCCSC1CCCCC1 62a_100000210327_200010167045 [0,1,0,1,0,0|1,0,0]=3 672 B20R1.30779 NC(=O)CCCCCCCCCCSC1CCCCC1 62a_200010167045_100000210327 [0,1,0,1,0,0|1,0,0]=3 673 B20R1.32754 C=C1CC(C1)CNCCCCCCCCCCCCC 2230a_100102567296_100000210684 [0,1,0,1,0,0|2,0,0]=4 674 B20R1.32754 C=C1CC(C1)CNCCCCCCCCCCCCC 270004a_100102567296_200011215488 [0,1,0,1,0,0|2,0,0]=4 675 B20R1.32754 C=C1CC(C1)CNCCCCCCCCCCCCC 34a_100102567296_100000210684 [0,1,0,1,0,0|2,0,0]=4 676 B20R1.32754 CCCCCCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210684 [0,1,0,1,0,0|1,0,0]=3 677 B20R1.32754 CCCCCCCCCCCCCOCC1CC(=O)C1 7a_100000185773_100009874392 [0,1,0,1,0,0|1,0,0]=3 678 B20R1.32754 O=C1CC(C1)COCCCCCCCCCCCCBr 7a_100009813331_100009874392 [0,1,0,1,0,0|2,0,0]=4 679 B20R1.61343 CC(=O)SCCCCCCCCCCCOC1CCC1 34a_100000748187_100010140907 [0,1,0,1,0,0|2,0,0]=4 680 B20R1.232700 CC(=O)CCCCNC1CCCCCCCCCCC1 34a_100011194316_100009817362 [0,1,0,1,0,0|1,0,0]=3 681 B20R1.232700 CC(=O)CCCCOC1CCCCCCCCCCC1 34a_100000211378_100009817362 [0,1,0,1,0,0|1,0,0]=3 682 B20R1.232700 CC(=O)CCCCOC1CCCCCCCCCCC1 7a_100000211378_100000735457 [0,1,0,1,0,0|1,0,0]=3 683 B20R1.232700 CC(=O)SCCCOC1CCCCCCCCCCC1 34a_100000211378_100000038929 [0,1,0,1,0,0|2,0,0]=4 684 B20R1.232700 CC(=O)SCCCOC1CCCCCCCCCCC1 7a_100000211378_100000038929 [0,1,0,1,0,0|2,0,0]=4 685 B20R1.420491 CC(O)COC1CCCCCCCCCCCCCC1 34a_200000037640_100011218427 [0,1,0,1,0,0|1,0,1]=4 686 B20R1.420491 CC(O)COC1CCCCCCCCCCCCCC1 7a_200000037640_100011218427 [0,1,0,1,0,0|1,0,1]=4 687 B20R1.420491 C[C@@H](O)COC1CCCCCCCCCCCCCC1 34a_200000037640_100009817552 [0,1,0,1,0,0|1,0,1]=4 688 B20R1.420491 C[C@@H](O)COC1CCCCCCCCCCCCCC1 7a_200000037640_100009817552 [0,1,0,1,0,0|1,0,1]=4 689 B20R1.420491 O=[N+]([O-])COC1CCCCCCCCCCCCCC1 34a_200000037640_100000761209 [0,1,0,1,0,0|1,0,1]=4 690 B20R1.424252 CC(=O)SCCCCCCCCCCCOCC1CC1 34a_100000211283_100010140907 [0,1,0,1,0,0|2,0,0]=4 691 B20R1.424252 CC(=O)SCCCCCCCCCCCSCC1CC1 62a_100000756562_100010140907 [0,1,0,1,0,0|2,0,0]=4 692 B20R1.424252 CC(=O)SCCCCCCCCCCCSCC1CC1 62a_100010140907_100000742324 [0,1,0,1,0,0|2,0,0]=4 693 B20R1.68695 CCCCCCCCCCCC(C)OCC1CC(=O)C1 7a_100011217895_100009874392 [0,1,0,1,0,0|2,0,0]=4