0 B13R0.54 C#CCCCCCCCCOC(C)C 34a_100000065265_100000210206 [0,0,0,0,0,0|1,0,3]=4 1 B13R0.54 C#CCCCCCCCCOC(C)C 7a_100000065265_100000210206 [0,0,0,0,0,0|1,0,3]=4 2 B13R0.54 C#CCCCCCCCOCC(=O)C 34a_100000211253_100153394163 [0,0,0,0,0,0|2,0,2]=4 3 B13R0.54 C#CCCCCCCOCCC(=O)C 34a_100000759926_100012276617 [0,0,0,0,0,0|2,0,2]=4 4 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100000759926_100012276617 [0,0,0,0,0,0|2,0,2]=4 5 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100011217361_100000053229 [0,0,0,0,0,0|2,0,2]=4 6 B13R0.54 C#CCCCCCCOCOC(=O)C 34a_100011217361_100009813279 [0,0,0,0,0,0|1,0,2]=3 7 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100000053229_100012276617 [0,0,0,0,0,0|2,0,2]=4 8 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100012276617_100000053229 [0,0,0,0,0,0|2,0,2]=4 9 B13R0.54 C#CCCCCCCSCOC(=O)C 62a_100000076356_100012276617 [0,0,0,0,0,0|1,0,2]=3 10 B13R0.54 C#CCCCCCCSCOC(=O)C 62a_100012276617_100000076356 [0,0,0,0,0,0|1,0,2]=3 11 B13R0.54 C#CCCCCCNCCNC(=O)C 2230a_100000209853_100012094781 [0,0,0,0,0,0|2,0,2]=4 12 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000759063_100012094781 [0,0,0,0,0,0|2,0,2]=4 13 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000766912_100000685027 [0,0,0,0,0,0|2,0,2]=4 14 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000759063_100012094781 [0,0,0,0,0,0|2,0,2]=4 15 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000766912_100011215641 [0,0,0,0,0,0|2,0,2]=4 16 B13R0.54 C#CCCCCCOCCNC(=O)C 34a_100000158858_100012094781 [0,0,0,0,0,0|2,0,2]=4 17 B13R0.54 C#CCCCCCOCCNC(=O)C 7a_100000766912_100000189650 [0,0,0,0,0,0|2,0,2]=4 18 B13R0.54 C#CCCCCCOCCOC(=O)C 34a_100000766912_100009814007 [0,0,0,0,0,0|1,0,2]=3 19 B13R0.54 C#CCCCCCOCCOC(=O)C 7a_100000766912_100009814007 [0,0,0,0,0,0|1,0,2]=3 20 B13R0.54 C#CCCCCCOCCOC(=O)N 34a_100000766912_200011214921 [0,0,0,0,0,0|2,0,2]=4 21 B13R0.54 C#CCCCCCOCCOC(=O)N 7a_100000766696_100012094781 [0,0,0,0,0,0|2,0,2]=4 22 B13R0.54 C#CCCCCCOCCOC(=O)N 7a_100000766912_200011214921 [0,0,0,0,0,0|2,0,2]=4 23 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100011215641_100012094781 [0,0,0,0,0,0|2,0,2]=4 24 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100012094781_100011215641 [0,0,0,0,0,0|2,0,2]=4 25 B13R0.54 C#CCCCCCSCCNC(=O)C 62a_100000189650_100012094781 [0,0,0,0,0,0|2,0,2]=4 26 B13R0.54 C#CCCCCCSCCNC(=O)C 62a_100012094781_100000189650 [0,0,0,0,0,0|2,0,2]=4 27 B13R0.54 C#CCCCCCSCCOC(=O)C 62a_100009814007_100012094781 [0,0,0,0,0,0|1,0,2]=3 28 B13R0.54 C#CCCCCCSCCOC(=O)C 62a_100012094781_100009814007 [0,0,0,0,0,0|1,0,2]=3 29 B13R0.54 C#CCCCCCSCCOC(=O)N 62a_100012094781_200011214921 [0,0,0,0,0,0|2,0,2]=4 30 B13R0.54 C#CCCCCCSCCOC(=O)N 62a_200011214921_100012094781 [0,0,0,0,0,0|2,0,2]=4 31 B13R0.54 C#CCCCCNCCCCC(=O)C 34a_100000706060_100009817362 [0,0,0,0,0,0|2,0,2]=4 32 B13R0.54 C#CCCCCNCCCNC(=O)C 34a_100000736810_100010269958 [0,0,0,0,0,0|2,0,2]=4 33 B13R0.54 C#CCCCCNCCCOC(=O)C 34a_100000706060_100000042594 [0,0,0,0,0,0|1,0,2]=3 34 B13R0.54 C#CCCCCNCCCOC(=S)C 2230a_100000706060_200135323944 [0,0,0,0,0,0|1,1,2]=4 35 B13R0.54 C#CCCCCNCCCOC(=S)C 34a_100000706060_200135323944 [0,0,0,0,0,0|1,1,2]=4 36 B13R0.54 C#CCCCCNCCCSC(=O)C 2230a_100000706060_100000038929 [0,0,0,0,0,0|1,1,2]=4 37 B13R0.54 C#CCCCCNCCCSC(=O)C 34a_100000706060_100000038929 [0,0,0,0,0,0|1,1,2]=4 38 B13R0.54 C#CCCCCOCCCCC(=O)C 34a_100000766709_100009817362 [0,0,0,0,0,0|2,0,2]=4 39 B13R0.54 C#CCCCCOCCCCC(=O)C 7a_100000766709_100000735457 [0,0,0,0,0,0|2,0,2]=4 40 B13R0.54 C#CCCCCOCCCNC(=O)C 34a_100000752032_100010269958 [0,0,0,0,0,0|2,0,2]=4 41 B13R0.54 C#CCCCCOCCCOC(=O)C 34a_100000766709_100000042594 [0,0,0,0,0,0|1,0,2]=3 42 B13R0.54 C#CCCCCOCCCOC(=O)C 7a_100000766709_100000042594 [0,0,0,0,0,0|1,0,2]=3 43 B13R0.54 C#CCCCCOCCCOC(=S)C 34a_100000766709_200135323944 [0,0,0,0,0,0|1,1,2]=4 44 B13R0.54 C#CCCCCOCCCOC(=S)C 7a_100000766709_200135323944 [0,0,0,0,0,0|1,1,2]=4 45 B13R0.54 C#CCCCCOCCCSC(=O)C 34a_100000766709_100000038929 [0,0,0,0,0,0|1,1,2]=4 46 B13R0.54 C#CCCCCOCCCSC(=O)C 7a_100000766709_100000038929 [0,0,0,0,0,0|1,1,2]=4 47 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100000735457_100010269958 [0,0,0,0,0,0|2,0,2]=4 48 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100010269958_100000735457 [0,0,0,0,0,0|2,0,2]=4 49 B13R0.54 C#CCCCCSCCCOC(=O)C 62a_100000042594_100010269958 [0,0,0,0,0,0|1,0,2]=3 50 B13R0.54 C#CCCCCSCCCOC(=O)C 62a_100010269958_100000042594 [0,0,0,0,0,0|1,0,2]=3 51 B13R0.54 C#CCCCCSCCCOC(=S)C 62a_100010269958_200135323944 [0,0,0,0,0,0|1,1,2]=4 52 B13R0.54 C#CCCCCSCCCOC(=S)C 62a_200135323944_100010269958 [0,0,0,0,0,0|1,1,2]=4 53 B13R0.54 C#CCCCCSCCCSC(=O)C 62a_100000038929_100010269958 [0,0,0,0,0,0|1,1,2]=4 54 B13R0.54 C#CCCCCSCCCSC(=O)C 62a_100010269958_100000038929 [0,0,0,0,0,0|1,1,2]=4 55 B13R0.54 C#CCCCNCCCCNC(=O)C 2230a_200011368371_100000731252 [0,0,0,0,0,0|2,0,2]=4 56 B13R0.54 C#CCCCNCCCCNC(=O)C 34a_200011368371_100000695029 [0,0,0,0,0,0|2,0,2]=4 57 B13R0.54 C#CCCCNCCCCOC(=O)C 34a_100000718082_100000033659 [0,0,0,0,0,0|1,0,2]=3 58 B13R0.54 C#CCCCNCCCCSC(=O)C 34a_100000718082_200010402107 [0,0,0,0,0,0|1,1,2]=4 59 B13R0.54 C#CCCCNCOCCOC(=O)C 34a_100000718082_100000076355 [0,0,0,0,0,0|2,0,2]=4 60 B13R0.54 C#CCCCOCCCCOC(=O)C 34a_100000073216_100000695029 [0,0,0,0,0,0|1,0,2]=3 61 B13R0.54 C#CCCCOCCCCOC(=O)C 34a_100000215630_100000033659 [0,0,0,0,0,0|1,0,2]=3 62 B13R0.54 C#CCCCOCCCCOC(=O)C 7a_100000073216_100011215417 [0,0,0,0,0,0|1,0,2]=3 63 B13R0.54 C#CCCCOCCCCOC(=O)C 7a_100000215630_100000033659 [0,0,0,0,0,0|1,0,2]=3 64 B13R0.54 C#CCCCOCCCCSC(=O)C 34a_100000215630_200010402107 [0,0,0,0,0,0|1,1,2]=4 65 B13R0.54 C#CCCCOCCCCSC(=O)C 7a_100000215630_200010402107 [0,0,0,0,0,0|1,1,2]=4 66 B13R0.54 C#CCCCOCOCCOC(=O)C 34a_100000215630_100000076355 [0,0,0,0,0,0|2,0,2]=4 67 B13R0.54 C#CCCCSCCCCOC(=O)C 62a_100000033659_100011215417 [0,0,0,0,0,0|1,0,2]=3 68 B13R0.54 C#CCCCSCCCCOC(=O)C 62a_100011215417_100000033659 [0,0,0,0,0,0|1,0,2]=3 69 B13R0.54 C#CCCCSCCCCSC(=O)C 62a_100011215417_200010402107 [0,0,0,0,0,0|1,1,2]=4 70 B13R0.54 C#CCCCSCCCCSC(=O)C 62a_200010402107_100011215417 [0,0,0,0,0,0|1,1,2]=4 71 B13R0.54 C#CCCCSCOCCOC(=O)C 62a_100000076355_100011215417 [0,0,0,0,0,0|2,0,2]=4 72 B13R0.54 C#CCCCSCOCCOC(=O)C 62a_100011215417_100000076355 [0,0,0,0,0,0|2,0,2]=4 73 B13R0.54 C#CCCNCCCCCNC(=O)C 2230a_200012022750_100000688953 [0,0,0,0,0,0|2,0,2]=4 74 B13R0.54 C#CCCNCCCCCNC(=O)C 34a_200012022750_100000688953 [0,0,0,0,0,0|2,0,2]=4 75 B13R0.54 C#CCCNCCCCCOC(=O)C 34a_100000755551_100000033007 [0,0,0,0,0,0|1,0,2]=3 76 B13R0.54 C#CCCNCCOCCOC(=O)C 34a_100000755551_200000083610 [0,0,0,0,0,0|2,0,2]=4 77 B13R0.54 C#CCCOCCCCCOC(=O)C 34a_100011215631_100000033007 [0,0,0,0,0,0|1,0,2]=3 78 B13R0.54 C#CCCOCCOCCOC(=O)C 34a_100011215631_200000083610 [0,0,0,0,0,0|2,0,2]=4 79 B13R0.54 C#CCCSCCCCCOC(=O)C 62a_100000033007_100000688953 [0,0,0,0,0,0|1,0,2]=3 80 B13R0.54 C#CCCSCCCCCOC(=O)C 62a_100000688953_100000033007 [0,0,0,0,0,0|1,0,2]=3 81 B13R0.54 C#CCCSCCOCCOC(=O)C 62a_100000688953_200000083610 [0,0,0,0,0,0|2,0,2]=4 82 B13R0.54 C#CCCSCCOCCOC(=O)C 62a_200000083610_100000688953 [0,0,0,0,0,0|2,0,2]=4 83 B13R0.54 C#CCNCCCCCCNC(=O)C 2230a_200011996284_100000038162 [0,0,0,0,0,0|2,0,2]=4 84 B13R0.54 C#CCNCCCCCCNC(=O)C 34a_200011996284_100000184674 [0,0,0,0,0,0|2,0,2]=4 85 B13R0.54 C#CCOCCNCCCOC(=O)C 34a_100000700922_100000042594 [0,0,0,0,0,0|2,0,2]=4 86 B13R0.54 C#CCOCCOCCCOC(=O)C 34a_100000054580_100000042594 [0,0,0,0,0,0|2,0,2]=4 87 B13R0.54 C#CCOCCOCCCOC(=O)C 7a_100000054580_100000042594 [0,0,0,0,0,0|2,0,2]=4 88 B13R0.54 C#CCOCCSCCCOC(=O)C 62a_100000042594_100010402529 [0,0,0,0,0,0|2,0,2]=4 89 B13R0.54 C#CCOCCSCCCOC(=O)C 62a_100010402529_100000042594 [0,0,0,0,0,0|2,0,2]=4 90 B13R0.54 C/C=C/CCOCCCCOC(=O)C 34a_100016278192_100000033659 [0,0,0,0,0,0|1,0,2]=3 91 B13R0.54 C/C=C/CCOCCCCSC(=O)C 34a_100016278192_200010402107 [0,0,0,0,0,0|1,1,2]=4 92 B13R0.54 C/C=C/CCOCOCCOC(=O)C 34a_100016278192_100000076355 [0,0,0,0,0,0|2,0,2]=4 93 B13R0.54 C/C=C/CNCCCCCNC(=O)C 34a_200012022750_100102629194 [0,0,0,0,0,0|2,0,2]=4 94 B13R0.54 C/C=C/COCCCCCOC(=O)C 34a_100016270725_100000033007 [0,0,0,0,0,0|1,0,2]=3 95 B13R0.54 C/C=C/COCCOCCOC(=O)C 34a_100016270725_200000083610 [0,0,0,0,0,0|2,0,2]=4 96 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100000033007_100102629194 [0,0,0,0,0,0|1,0,2]=3 97 B13R0.54 C/C=C/CSCCCCCOC(=O)C 62a_100102629194_100000033007 [0,0,0,0,0,0|1,0,2]=3 98 B13R0.54 C/C=C/CSCCOCCOC(=O)C 62a_100102629194_200000083610 [0,0,0,0,0,0|2,0,2]=4 99 B13R0.54 C/C=C/CSCCOCCOC(=O)C 62a_200000083610_100102629194 [0,0,0,0,0,0|2,0,2]=4 100 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,0,0,0,0,0|3,0,1]=4 101 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,0,0,0,0,0|3,0,0]=3 102 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,0,0,0,0,0|3,0,0]=3 103 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [0,0,0,0,0,0|4,0,0]=4 104 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [0,0,0,0,0,0|4,0,0]=4 105 B13R0.54 C=C(C)CCNCCCOCCCC 2230a_200000211371_100000730704 [0,0,0,0,0,0|4,0,0]=4 106 B13R0.54 C=C(C)CCNCCCOCCCC 34a_200000211371_100000730704 [0,0,0,0,0,0|4,0,0]=4 107 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [0,0,0,0,0,0|4,0,0]=4 108 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [0,0,0,0,0,0|4,0,0]=4 109 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,0,0,0,0,0|3,0,0]=3 110 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,0,0,0,0,0|3,0,0]=3 111 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,0,0,0,0,0|3,0,0]=3 112 B13R0.54 C=C(C)CCOCCCCCCCN 34a_100011996573_100000730704 [0,0,0,0,0,0|4,0,0]=4 113 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [0,0,0,0,0,0|4,0,0]=4 114 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,0,0,0,0,0|4,0,0]=4 115 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,0,0,0,0,0|4,0,0]=4 116 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,0,0,0,0,0|4,0,0]=4 117 B13R0.54 C=C(C)CCOCCCOCCCC 34a_200011215613_100000730704 [0,0,0,0,0,0|4,0,0]=4 118 B13R0.54 C=C(C)CCOCCCOCCCC 7a_200011215613_100000730704 [0,0,0,0,0,0|4,0,0]=4 119 B13R0.54 C=C(C)CCOCCNCCCCC 34a_100000224656_100000730704 [0,0,0,0,0,0|4,0,0]=4 120 B13R0.54 C=C(C)CCOCCOCCCCC 34a_100011215259_100000730704 [0,0,0,0,0,0|4,0,0]=4 121 B13R0.54 C=C(C)CCOCCOCCCCC 7a_100011215259_100000730704 [0,0,0,0,0,0|4,0,0]=4 122 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [0,0,0,0,0,0|3,0,0]=3 123 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [0,0,0,0,0,0|3,0,0]=3 124 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [0,0,0,0,0,0|4,0,0]=4 125 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [0,0,0,0,0,0|4,0,0]=4 126 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [0,0,0,0,0,0|4,0,0]=4 127 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [0,0,0,0,0,0|4,0,0]=4 128 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,0,0,0,0,0|3,0,0]=3 129 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,0,0,0,0,0|3,0,0]=3 130 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [0,0,0,0,0,0|4,0,0]=4 131 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [0,0,0,0,0,0|4,0,0]=4 132 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [0,0,0,0,0,0|4,0,0]=4 133 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [0,0,0,0,0,0|4,0,0]=4 134 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,0,0,0,0,0|3,0,0]=3 135 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,0,0,0,0,0|3,0,0]=3 136 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,0,0,0,0,0|3,0,0]=3 137 B13R0.54 C=C(C)COCCCCCCCCCl 34a_100000033203_100000748629 [0,0,0,0,0,0|4,0,0]=4 138 B13R0.54 C=C(C)COCCCCCCCCCl 7a_100000033203_100000748629 [0,0,0,0,0,0|4,0,0]=4 139 B13R0.54 C=C(C)COCCCCCCCCN 34a_102515433106_100000748629 [0,0,0,0,0,0|4,0,0]=4 140 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [0,0,0,0,0,0|4,0,0]=4 141 B13R0.54 C=C(C)COCCCCNCCCC 34a_200011216965_100000748629 [0,0,0,0,0,0|4,0,0]=4 142 B13R0.54 C=C(C)COCCCCOCCCC 34a_200000760531_100000748629 [0,0,0,0,0,0|4,0,0]=4 143 B13R0.54 C=C(C)COCCCCOCCCC 7a_200000760531_100000748629 [0,0,0,0,0,0|4,0,0]=4 144 B13R0.54 C=C(C)COCCOCCCCCC 34a_100000691444_100000748629 [0,0,0,0,0,0|4,0,0]=4 145 B13R0.54 C=C(C)COCCOCCCCCC 7a_100000691444_100000748629 [0,0,0,0,0,0|4,0,0]=4 146 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [0,0,0,0,0,0|3,0,0]=3 147 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [0,0,0,0,0,0|4,0,0]=4 148 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [0,0,0,0,0,0|4,0,0]=4 149 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,0,0,0,0,0|3,0,1]=4 150 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,0,0,0,0,0|3,0,1]=4 151 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,0,0,0,0,0|3,0,1]=4 152 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,0,0,0,0,0|3,0,1]=4 153 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,0,0,0,0,0|3,0,1]=4 154 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,0,0,0,0,0|3,0,1]=4 155 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,0,0,0,0,0|1,0,2]=3 156 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100000212225_100011933949 [0,0,0,0,0,0|1,0,3]=4 157 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100011215194_100000210206 [0,0,0,0,0,0|1,0,3]=4 158 B13R0.54 C=CCCCCCCCCOC(C)C 7a_100011215194_100000210206 [0,0,0,0,0,0|1,0,3]=4 159 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,0,0,0,0,0|2,0,2]=4 160 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,0,0,0,0,0|2,0,2]=4 161 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,0,0,0,0,0|2,0,2]=4 162 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,0,0,0,0,0|2,0,2]=4 163 B13R0.54 C=CCCCCCCOCOC(=O)C 34a_200011216477_100009813279 [0,0,0,0,0,0|1,0,2]=3 164 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,0,0,0,0,0|2,0,2]=4 165 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,0,0,0,0,0|2,0,2]=4 166 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100000076356_100011215473 [0,0,0,0,0,0|1,0,2]=3 167 B13R0.54 C=CCCCCCCSCOC(=O)C 62a_100011215473_100000076356 [0,0,0,0,0,0|1,0,2]=3 168 B13R0.54 C=CCCCCCNCCNC(=O)C 2230a_100000209853_100000700193 [0,0,0,0,0,0|2,0,2]=4 169 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,0,0,0,0,0|2,0,2]=4 170 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,0,0,0,0,0|2,0,2]=4 171 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,0,0,0,0,0|2,0,2]=4 172 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,0,0,0,0,0|2,0,2]=4 173 B13R0.54 C=CCCCCCOCCNC(=O)C 34a_100000158858_100000700193 [0,0,0,0,0,0|2,0,2]=4 174 B13R0.54 C=CCCCCCOCCNC(=O)C 7a_100011216702_100000189650 [0,0,0,0,0,0|2,0,2]=4 175 B13R0.54 C=CCCCCCOCCOC(=O)C 34a_100011216702_100009814007 [0,0,0,0,0,0|1,0,2]=3 176 B13R0.54 C=CCCCCCOCCOC(=O)C 7a_100011216702_100009814007 [0,0,0,0,0,0|1,0,2]=3 177 B13R0.54 C=CCCCCCOCCOC(=O)N 34a_100011216702_200011214921 [0,0,0,0,0,0|2,0,2]=4 178 B13R0.54 C=CCCCCCOCCOC(=O)N 7a_100000766696_100000700193 [0,0,0,0,0,0|2,0,2]=4 179 B13R0.54 C=CCCCCCOCCOC(=O)N 7a_100011216702_200011214921 [0,0,0,0,0,0|2,0,2]=4 180 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,0,0,0,0,0|2,0,2]=4 181 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,0,0,0,0,0|2,0,2]=4 182 B13R0.54 C=CCCCCCSCCNC(=O)C 62a_100000189650_100000700193 [0,0,0,0,0,0|2,0,2]=4 183 B13R0.54 C=CCCCCCSCCNC(=O)C 62a_100000700193_100000189650 [0,0,0,0,0,0|2,0,2]=4 184 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100000700193_100009814007 [0,0,0,0,0,0|1,0,2]=3 185 B13R0.54 C=CCCCCCSCCOC(=O)C 62a_100009814007_100000700193 [0,0,0,0,0,0|1,0,2]=3 186 B13R0.54 C=CCCCCCSCCOC(=O)N 62a_100000700193_200011214921 [0,0,0,0,0,0|2,0,2]=4 187 B13R0.54 C=CCCCCCSCCOC(=O)N 62a_200011214921_100000700193 [0,0,0,0,0,0|2,0,2]=4 188 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,0,0,0,0,0|2,0,2]=4 189 B13R0.54 C=CCCCCNCCCNC(=O)C 34a_100000736810_100011215482 [0,0,0,0,0,0|2,0,2]=4 190 B13R0.54 C=CCCCCNCCCOC(=O)C 34a_100000703577_100000042594 [0,0,0,0,0,0|1,0,2]=3 191 B13R0.54 C=CCCCCNCCCOC(=S)C 2230a_100000703577_200135323944 [0,0,0,0,0,0|1,1,2]=4 192 B13R0.54 C=CCCCCNCCCOC(=S)C 34a_100000703577_200135323944 [0,0,0,0,0,0|1,1,2]=4 193 B13R0.54 C=CCCCCNCCCSC(=O)C 2230a_100000703577_100000038929 [0,0,0,0,0,0|1,1,2]=4 194 B13R0.54 C=CCCCCNCCCSC(=O)C 34a_100000703577_100000038929 [0,0,0,0,0,0|1,1,2]=4 195 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,0,0,0,0,0|2,0,2]=4 196 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,0,0,0,0,0|2,0,2]=4 197 B13R0.54 C=CCCCCOCCCNC(=O)C 34a_100000752032_100011215482 [0,0,0,0,0,0|2,0,2]=4 198 B13R0.54 C=CCCCCOCCCOC(=O)C 34a_100000766645_100000042594 [0,0,0,0,0,0|1,0,2]=3 199 B13R0.54 C=CCCCCOCCCOC(=O)C 7a_100000766645_100000042594 [0,0,0,0,0,0|1,0,2]=3 200 B13R0.54 C=CCCCCOCCCOC(=S)C 34a_100000766645_200135323944 [0,0,0,0,0,0|1,1,2]=4 201 B13R0.54 C=CCCCCOCCCOC(=S)C 7a_100000766645_200135323944 [0,0,0,0,0,0|1,1,2]=4 202 B13R0.54 C=CCCCCOCCCSC(=O)C 34a_100000766645_100000038929 [0,0,0,0,0,0|1,1,2]=4 203 B13R0.54 C=CCCCCOCCCSC(=O)C 7a_100000766645_100000038929 [0,0,0,0,0,0|1,1,2]=4 204 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,0,0,0,0,0|2,0,2]=4 205 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,0,0,0,0,0|2,0,2]=4 206 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100000042594_100011215482 [0,0,0,0,0,0|1,0,2]=3 207 B13R0.54 C=CCCCCSCCCOC(=O)C 62a_100011215482_100000042594 [0,0,0,0,0,0|1,0,2]=3 208 B13R0.54 C=CCCCCSCCCOC(=S)C 62a_100011215482_200135323944 [0,0,0,0,0,0|1,1,2]=4 209 B13R0.54 C=CCCCCSCCCOC(=S)C 62a_200135323944_100011215482 [0,0,0,0,0,0|1,1,2]=4 210 B13R0.54 C=CCCCCSCCCSC(=O)C 62a_100000038929_100011215482 [0,0,0,0,0,0|1,1,2]=4 211 B13R0.54 C=CCCCCSCCCSC(=O)C 62a_100011215482_100000038929 [0,0,0,0,0,0|1,1,2]=4 212 B13R0.54 C=CCCCNCCCCNC(=O)C 2230a_200011368371_100011713584 [0,0,0,0,0,0|2,0,2]=4 213 B13R0.54 C=CCCCNCCCCNC(=O)C 34a_200011368371_100000757094 [0,0,0,0,0,0|2,0,2]=4 214 B13R0.54 C=CCCCNCCCCOC(=O)C 34a_100000700776_100000033659 [0,0,0,0,0,0|1,0,2]=3 215 B13R0.54 C=CCCCNCCCCSC(=O)C 2230a_100000700776_200010402107 [0,0,0,0,0,0|1,1,2]=4 216 B13R0.54 C=CCCCNCCCCSC(=O)C 34a_100000700776_200010402107 [0,0,0,0,0,0|1,1,2]=4 217 B13R0.54 C=CCCCNCOCCOC(=O)C 34a_100000700776_100000076355 [0,0,0,0,0,0|2,0,2]=4 218 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000073216_100000757094 [0,0,0,0,0,0|1,0,2]=3 219 B13R0.54 C=CCCCOCCCCOC(=O)C 34a_100000758997_100000033659 [0,0,0,0,0,0|1,0,2]=3 220 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000073216_100000757094 [0,0,0,0,0,0|1,0,2]=3 221 B13R0.54 C=CCCCOCCCCOC(=O)C 7a_100000758997_100000033659 [0,0,0,0,0,0|1,0,2]=3 222 B13R0.54 C=CCCCOCCCCSC(=O)C 34a_100000758997_200010402107 [0,0,0,0,0,0|1,1,2]=4 223 B13R0.54 C=CCCCOCCCCSC(=O)C 7a_100000758997_200010402107 [0,0,0,0,0,0|1,1,2]=4 224 B13R0.54 C=CCCCOCOCCOC(=O)C 34a_100000758997_100000076355 [0,0,0,0,0,0|2,0,2]=4 225 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100000033659_100000757094 [0,0,0,0,0,0|1,0,2]=3 226 B13R0.54 C=CCCCSCCCCOC(=O)C 62a_100011713584_100000033659 [0,0,0,0,0,0|1,0,2]=3 227 B13R0.54 C=CCCCSCCCCSC(=O)C 62a_100011713584_200010402107 [0,0,0,0,0,0|1,1,2]=4 228 B13R0.54 C=CCCCSCCCCSC(=O)C 62a_200010402107_100000757094 [0,0,0,0,0,0|1,1,2]=4 229 B13R0.54 C=CCCCSCOCCOC(=O)C 62a_100000076355_100000757094 [0,0,0,0,0,0|2,0,2]=4 230 B13R0.54 C=CCCCSCOCCOC(=O)C 62a_100011713584_100000076355 [0,0,0,0,0,0|2,0,2]=4 231 B13R0.54 C=CCCNCCCCCNC(=O)C 2230a_200012022750_100000754431 [0,0,0,0,0,0|2,0,2]=4 232 B13R0.54 C=CCCNCCCCCNC(=O)C 34a_200012022750_100000754431 [0,0,0,0,0,0|2,0,2]=4 233 B13R0.54 C=CCCNCCCCCOC(=O)C 2230a_100015191253_100009813381 [0,0,0,0,0,0|1,0,2]=3 234 B13R0.54 C=CCCNCCOCCOC(=O)C 2230a_100015191253_200000083610 [0,0,0,0,0,0|2,0,2]=4 235 B13R0.54 C=CCCOCCCCCOC(=O)C 34a_100011205117_100000033007 [0,0,0,0,0,0|1,0,2]=3 236 B13R0.54 C=CCCOCCOCCOC(=O)C 34a_100011205117_200000083610 [0,0,0,0,0,0|2,0,2]=4 237 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000033007_100000754431 [0,0,0,0,0,0|1,0,2]=3 238 B13R0.54 C=CCCSCCCCCOC(=O)C 62a_100000754431_100000033007 [0,0,0,0,0,0|1,0,2]=3 239 B13R0.54 C=CCCSCCOCCOC(=O)C 62a_100000754431_200000083610 [0,0,0,0,0,0|2,0,2]=4 240 B13R0.54 C=CCCSCCOCCOC(=O)C 62a_200000083610_100000754431 [0,0,0,0,0,0|2,0,2]=4 241 B13R0.54 C=CCNCCCCCCNC(=O)C 2230a_200011996284_100000210623 [0,0,0,0,0,0|2,0,2]=4 242 B13R0.54 C=CCNCCCCCCNC(=O)C 34a_200011996284_100015514636 [0,0,0,0,0,0|2,0,2]=4 243 B13R0.54 C=CCOCCOCCCOC(=O)C 34a_100000037705_100000042594 [0,0,0,0,0,0|2,0,2]=4 244 B13R0.54 C=CCOCCOCCCOC(=O)C 7a_100000037705_100000042594 [0,0,0,0,0,0|2,0,2]=4 245 B13R0.54 C=COCCCCOCCOC(=O)C 34a_100000031558_100009814007 [0,0,0,0,0,0|2,0,2]=4 246 B13R0.54 C=COCCCCOCCOC(=O)C 7a_100000031558_100009814007 [0,0,0,0,0,0|2,0,2]=4 247 B13R0.54 C=COCCCNCCCOC(=O)C 34a_100000210767_100000042594 [0,0,0,0,0,0|2,0,2]=4 248 B13R0.54 C=COCCOCCCCOC(=O)C 34a_100000033082_100000033659 [0,0,0,0,0,0|2,0,2]=4 249 B13R0.54 C=COCCOCCCCOC(=O)C 34a_100000073216_100000039644 [0,0,0,0,0,0|2,0,2]=4 250 B13R0.54 C=COCCOCCCCOC(=O)C 7a_100000073216_100000039644 [0,0,0,0,0,0|2,0,2]=4 251 B13R0.54 C=COCCSCCCCOC(=O)C 62a_100000033659_100000039644 [0,0,0,0,0,0|2,0,2]=4 252 B13R0.54 C=COCCSCCCCOC(=O)C 62a_100000039644_100000033659 [0,0,0,0,0,0|2,0,2]=4 253 B13R0.54 CC#CCCOCCCCOC(=O)C 34a_100000750427_100000033659 [0,0,0,0,0,0|1,0,2]=3 254 B13R0.54 CC#CCCOCCCCSC(=O)C 34a_100000750427_200010402107 [0,0,0,0,0,0|1,1,2]=4 255 B13R0.54 CC#CCCOCOCCOC(=O)C 34a_100000750427_100000076355 [0,0,0,0,0,0|2,0,2]=4 256 B13R0.54 CC#CCNCCCCCNC(=O)C 2230a_200012022750_100000748600 [0,0,0,0,0,0|2,0,2]=4 257 B13R0.54 CC#CCNCCCCCNC(=O)C 34a_200012022750_100000748600 [0,0,0,0,0,0|2,0,2]=4 258 B13R0.54 CC#CCNCCCCCOC(=O)C 2230a_100000685387_100009813381 [0,0,0,0,0,0|1,0,2]=3 259 B13R0.54 CC#CCNCCCCCOC(=O)C 34a_100000685387_100000033007 [0,0,0,0,0,0|1,0,2]=3 260 B13R0.54 CC#CCNCCOCCOC(=O)C 2230a_100000685387_200000083610 [0,0,0,0,0,0|2,0,2]=4 261 B13R0.54 CC#CCNCCOCCOC(=O)C 34a_100000685387_200000083610 [0,0,0,0,0,0|2,0,2]=4 262 B13R0.54 CC#CCOCCCCCOC(=O)C 34a_100000761923_100000033007 [0,0,0,0,0,0|1,0,2]=3 263 B13R0.54 CC#CCOCCOCCOC(=O)C 34a_100000761923_200000083610 [0,0,0,0,0,0|2,0,2]=4 264 B13R0.54 CC#CCSCCCCCOC(=O)C 62a_100000033007_100000748600 [0,0,0,0,0,0|1,0,2]=3 265 B13R0.54 CC#CCSCCCCCOC(=O)C 62a_100000748600_100000033007 [0,0,0,0,0,0|1,0,2]=3 266 B13R0.54 CC#CCSCCOCCOC(=O)C 62a_100000748600_200000083610 [0,0,0,0,0,0|2,0,2]=4 267 B13R0.54 CC#CCSCCOCCOC(=O)C 62a_200000083610_100000748600 [0,0,0,0,0,0|2,0,2]=4 268 B13R0.54 CC(=CCCNCCCCCCO)C 2230a_100000686447_100011217483 [0,0,0,0,0,0|4,0,0]=4 269 B13R0.54 CC(=CCCNCCCCCCO)C 34a_100000686447_100011217483 [0,0,0,0,0,0|4,0,0]=4 270 B13R0.54 CC(=CCCOCCCCCCBr)C 34a_100011215345_100011217483 [0,0,0,0,0,0|4,0,0]=4 271 B13R0.54 CC(=CCCOCCCCCCBr)C 7a_100011215345_100011217483 [0,0,0,0,0,0|4,0,0]=4 272 B13R0.54 CC(=CCCOCCCCCCCl)C 34a_100000766143_100011217483 [0,0,0,0,0,0|4,0,0]=4 273 B13R0.54 CC(=CCCOCCCCCCCl)C 7a_100000766143_100011217483 [0,0,0,0,0,0|4,0,0]=4 274 B13R0.54 CC(=CCCOCCCCCCF)C 34a_100000732779_100011217483 [0,0,0,0,0,0|4,0,0]=4 275 B13R0.54 CC(=CCCOCCCCCCF)C 7a_100000732779_100011217483 [0,0,0,0,0,0|4,0,0]=4 276 B13R0.54 CC(=CCCOCCCCCCN)C 34a_100000686447_100011217483 [0,0,0,0,0,0|4,0,0]=4 277 B13R0.54 CC(=CCCSCCCCCCF)C 62a_100011217483_100015922095 [0,0,0,0,0,0|4,0,0]=4 278 B13R0.54 CC(=CCCSCCCCCCF)C 62a_100015922095_100011217483 [0,0,0,0,0,0|4,0,0]=4 279 B13R0.54 CC(=CCCSCCCCCCO)C 62a_100000766143_100011217483 [0,0,0,0,0,0|4,0,0]=4 280 B13R0.54 CC(=CCCSCCCCCCO)C 62a_100011217483_100000766143 [0,0,0,0,0,0|4,0,0]=4 281 B13R0.54 CC(=CCNCCCCCCCO)C 2230a_100011996573_100000761012 [0,0,0,0,0,0|4,0,0]=4 282 B13R0.54 CC(=CCNCCCCCCCO)C 34a_100000718196_100000760002 [0,0,0,0,0,0|4,0,0]=4 283 B13R0.54 CC(=CCNCCCCCCCO)C 34a_100011996573_100000761012 [0,0,0,0,0,0|4,0,0]=4 284 B13R0.54 CC(=CCOCCCCCCCBr)C 34a_100000760002_100000761012 [0,0,0,0,0,0|4,0,0]=4 285 B13R0.54 CC(=CCOCCCCCCCBr)C 7a_100000760002_100000761012 [0,0,0,0,0,0|4,0,0]=4 286 B13R0.54 CC(=CCOCCCCCCCN)C 34a_100011996573_100000761012 [0,0,0,0,0,0|4,0,0]=4 287 B13R0.54 CC(=CCOCCCCCCCO)C 34a_100000753907_100000760002 [0,0,0,0,0,0|4,0,0]=4 288 B13R0.54 CC(=CCSCCCCCCCO)C 62a_100000760002_100000761012 [0,0,0,0,0,0|4,0,0]=4 289 B13R0.54 CC(=CCSCCCCCCCO)C 62a_100000761012_100000760002 [0,0,0,0,0,0|4,0,0]=4 290 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,0,0,0,0,0|2,0,0]=2 291 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,0,0,0,0,0|3,0,0]=3 292 B13R0.54 CC(=O)CCCCNCCOCCO 34a_100000211614_100009817362 [0,0,0,0,0,0|4,0,0]=4 293 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,0,0,0,0,0|3,0,0]=3 294 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,0,0,0,0,0|3,0,0]=3 295 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,0,0,0,0,0|3,0,0]=3 296 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,0,0,0,0,0|3,0,0]=3 297 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,0,0,0,0,0|3,0,0]=3 298 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,0,0,0,0,0|3,0,0]=3 299 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,0,0,0,0,0|3,0,0]=3 300 B13R0.54 CC(=O)CCCCOCCOCCBr 34a_100000692535_100009817362 [0,0,0,0,0,0|4,0,0]=4 301 B13R0.54 CC(=O)CCCCOCCOCCBr 7a_100000692535_100000735457 [0,0,0,0,0,0|4,0,0]=4 302 B13R0.54 CC(=O)CCCCOCCOCCCl 34a_100011215305_100009817362 [0,0,0,0,0,0|4,0,0]=4 303 B13R0.54 CC(=O)CCCCOCCOCCCl 7a_100011215305_100000735457 [0,0,0,0,0,0|4,0,0]=4 304 B13R0.54 CC(=O)CCCCOCCOCCF 34a_200015357709_100009817362 [0,0,0,0,0,0|4,0,0]=4 305 B13R0.54 CC(=O)CCCCOCCOCCF 7a_200015357709_100000735457 [0,0,0,0,0,0|4,0,0]=4 306 B13R0.54 CC(=O)CCCCOCCOCCI 34a_100012149058_100009817362 [0,0,0,0,0,0|4,0,0]=4 307 B13R0.54 CC(=O)CCCCOCCOCCI 7a_100012149058_100000735457 [0,0,0,0,0,0|4,0,0]=4 308 B13R0.54 CC(=O)CCCCOCCOCCN 34a_100000211614_100009817362 [0,0,0,0,0,0|4,0,0]=4 309 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100000735457_100000211819 [0,0,0,0,0,0|3,0,1]=4 310 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100011219923_100000735457 [0,0,0,0,0,0|3,0,1]=4 311 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,0,0,0,0,0|3,0,1]=4 312 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,0,0,0,0,0|3,0,1]=4 313 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,0,0,0,0,0|3,0,0]=3 314 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,0,0,0,0,0|3,0,0]=3 315 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,0,0,0,0,0|3,0,0]=3 316 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,0,0,0,0,0|3,0,0]=3 317 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100000735457_100011215305 [0,0,0,0,0,0|4,0,0]=4 318 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100011215305_100000735457 [0,0,0,0,0,0|4,0,0]=4 319 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,0,0,0,0,0|3,0,0]=3 320 B13R0.54 CC(=O)CCCOCCCCCC#N 7a_100000759063_100009813376 [0,0,0,0,0,0|3,0,1]=4 321 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,0,0,0,0,0|3,0,1]=4 322 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,0,0,0,0,0|3,0,0]=3 323 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,0,0,0,0,0|3,0,0]=3 324 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,0,0,0,0,0|3,0,0]=3 325 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,0,0,0,0,0|3,0,0]=3 326 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,0,0,0,0,0|3,0,0]=3 327 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,0,0,0,0,0|3,0,0]=3 328 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,0,0,0,0,0|3,0,0]=3 329 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,0,0,0,0,0|3,0,0]=3 330 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,0,0,0,0,0|3,0,0]=3 331 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,0,0,0,0,0|3,0,0]=3 332 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,0,0,0,0,0|3,0,0]=3 333 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100009813376_100011215641 [0,0,0,0,0,0|3,0,1]=4 334 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100011215641_100009813376 [0,0,0,0,0,0|3,0,1]=4 335 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,0,0,0,0,0|3,0,1]=4 336 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,0,0,0,0,0|3,0,1]=4 337 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,0,0,0,0,0|3,0,0]=3 338 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,0,0,0,0,0|3,0,0]=3 339 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,0,0,0,0,0|3,0,0]=3 340 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,0,0,0,0,0|3,0,0]=3 341 B13R0.54 CC(=O)CCOCCCCCCC#N 7a_100000759926_100009813337 [0,0,0,0,0,0|3,0,1]=4 342 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,0,0,0,0,0|3,0,0]=3 343 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,0,0,0,0,0|3,0,0]=3 344 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,0,0,0,0,0|3,0,0]=3 345 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100000053229_100009813337 [0,0,0,0,0,0|3,0,1]=4 346 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100009813337_100000053229 [0,0,0,0,0,0|3,0,1]=4 347 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,0,0,0,0,0|3,0,0]=3 348 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,0,0,0,0,0|3,0,0]=3 349 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,0,0,0,0,0|3,0,0]=3 350 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,0,0,0,0,0|2,0,0]=2 351 B13R0.54 CC(=O)NCCCCCCNCC#N 2230a_200011996284_100011215382 [0,0,0,0,0,0|3,0,1]=4 352 B13R0.54 CC(=O)NCCCCCCNCC=O 2230a_200011996284_200015260668 [0,0,0,0,0,0|3,0,1]=4 353 B13R0.54 CC(=O)NCCCCCCNCC=O 34a_200011996284_200009817547 [0,0,0,0,0,0|3,0,1]=4 354 B13R0.54 CC(=O)NCCCCCCNCCF 2230a_200011996284_100011217306 [0,0,0,0,0,0|3,0,0]=3 355 B13R0.54 CC(=O)NCCCCCCNCCF 34a_200011996284_100011217306 [0,0,0,0,0,0|3,0,0]=3 356 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [0,0,0,0,0,0|3,0,0]=3 357 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [0,0,0,0,0,0|3,0,0]=3 358 B13R0.54 CC(=O)NCCCCCNCCC#N 2230a_200012022750_100011215226 [0,0,0,0,0,0|3,0,1]=4 359 B13R0.54 CC(=O)NCCCCCNCCCF 2230a_200012022750_100011934791 [0,0,0,0,0,0|3,0,0]=3 360 B13R0.54 CC(=O)NCCCCCNCCCF 34a_200012022750_100011934791 [0,0,0,0,0,0|3,0,0]=3 361 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [0,0,0,0,0,0|3,0,0]=3 362 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [0,0,0,0,0,0|3,0,0]=3 363 B13R0.54 CC(=O)NCCCCNCCCC#N 2230a_200011368371_100000687738 [0,0,0,0,0,0|3,0,1]=4 364 B13R0.54 CC(=O)NCCCCNCCCC=O 2230a_200011368371_200011292268 [0,0,0,0,0,0|3,0,1]=4 365 B13R0.54 CC(=O)NCCCCNCCCCF 2230a_200011368371_100000729493 [0,0,0,0,0,0|3,0,0]=3 366 B13R0.54 CC(=O)NCCCCNCCCCF 34a_200011368371_100000729493 [0,0,0,0,0,0|3,0,0]=3 367 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [0,0,0,0,0,0|3,0,0]=3 368 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [0,0,0,0,0,0|3,0,0]=3 369 B13R0.54 CC(=O)NCCCNCCCCCF 34a_100000736810_100000729378 [0,0,0,0,0,0|3,0,0]=3 370 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [0,0,0,0,0,0|3,0,0]=3 371 B13R0.54 CC(=O)NCCCNCCOCCO 34a_100000736810_100000692535 [0,0,0,0,0,0|4,0,0]=4 372 B13R0.54 CC(=O)NCCCOCCCCCF 34a_100000752032_100000729378 [0,0,0,0,0,0|3,0,0]=3 373 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [0,0,0,0,0,0|3,0,0]=3 374 B13R0.54 CC(=O)NCCCOCCOCCO 240690a_100011996194_100015343762 [0,0,0,0,0,0|4,0,0]=4 375 B13R0.54 CC(=O)NCCCOCCOCCO 34a_100000752032_100000692535 [0,0,0,0,0,0|4,0,0]=4 376 B13R0.54 CC(=O)NCCNCCCCCC#N 2230a_100000209853_100009813376 [0,0,0,0,0,0|3,0,1]=4 377 B13R0.54 CC(=O)NCCNCCCCCC=O 2230a_100000209853_100000139337 [0,0,0,0,0,0|3,0,1]=4 378 B13R0.54 CC(=O)NCCNCCCCCCF 2230a_100000209853_100015922095 [0,0,0,0,0,0|3,0,0]=3 379 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [0,0,0,0,0,0|3,0,0]=3 380 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [0,0,0,0,0,0|3,0,0]=3 381 B13R0.54 CC(=O)NCCOCCCCCCBr 7a_100011215345_100000189650 [0,0,0,0,0,0|3,0,0]=3 382 B13R0.54 CC(=O)NCCOCCCCCCCl 7a_100000766143_100000189650 [0,0,0,0,0,0|3,0,0]=3 383 B13R0.54 CC(=O)NCCOCCCCCCF 34a_100000158858_100015922095 [0,0,0,0,0,0|3,0,0]=3 384 B13R0.54 CC(=O)NCCOCCCCCCF 7a_100000732779_100000189650 [0,0,0,0,0,0|3,0,0]=3 385 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [0,0,0,0,0,0|3,0,0]=3 386 B13R0.54 CC(=O)NCCSCCCCCC#N 62a_100000189650_100009813376 [0,0,0,0,0,0|3,0,1]=4 387 B13R0.54 CC(=O)NCCSCCCCCC#N 62a_100009813376_100000189650 [0,0,0,0,0,0|3,0,1]=4 388 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000139337_100000189650 [0,0,0,0,0,0|3,0,1]=4 389 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000189650_100000139337 [0,0,0,0,0,0|3,0,1]=4 390 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100000189650_100015922095 [0,0,0,0,0,0|3,0,0]=3 391 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100015922095_100000189650 [0,0,0,0,0,0|3,0,0]=3 392 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [0,0,0,0,0,0|3,0,0]=3 393 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [0,0,0,0,0,0|3,0,0]=3 394 B13R0.54 CC(=O)OCCCCCNCCCF 2230a_100015189416_100009813381 [0,0,0,0,0,0|2,0,0]=2 395 B13R0.54 CC(=O)OCCCCCNCCCF 34a_100015189416_100000033007 [0,0,0,0,0,0|2,0,0]=2 396 B13R0.54 CC(=O)OCCCCCOCCCBr 34a_100011217188_100000033007 [0,0,0,0,0,0|2,0,0]=2 397 B13R0.54 CC(=O)OCCCCCOCCCCl 34a_100000230001_100000033007 [0,0,0,0,0,0|2,0,0]=2 398 B13R0.54 CC(=O)OCCCCCOCCCF 34a_100000759539_100000033007 [0,0,0,0,0,0|2,0,0]=2 399 B13R0.54 CC(=O)OCCCCCOCCCN 34a_100000182051_100000033007 [0,0,0,0,0,0|2,0,0]=2 400 B13R0.54 CC(=O)OCCCCCOCCON 34a_100000700252_100000033007 [0,0,0,0,0,0|3,0,0]=3 401 B13R0.54 CC(=O)OCCCCCSCCC#N 62a_100000033007_100011215226 [0,0,0,0,0,0|2,0,1]=3 402 B13R0.54 CC(=O)OCCCCCSCCC#N 62a_100011215226_100000033007 [0,0,0,0,0,0|2,0,1]=3 403 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100000033007_100011934791 [0,0,0,0,0,0|2,0,0]=2 404 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100011934791_100000033007 [0,0,0,0,0,0|2,0,0]=2 405 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [0,0,0,0,0,0|2,0,0]=2 406 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [0,0,0,0,0,0|2,0,0]=2 407 B13R0.54 CC(=O)OCCCCCSCSC#N 62a_100000033007_100000211825 [0,0,0,0,0,0|3,0,1]=4 408 B13R0.54 CC(=O)OCCCCCSCSC#N 62a_100000211825_100000033007 [0,0,0,0,0,0|3,0,1]=4 409 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [0,0,0,0,0,0|2,0,0]=2 410 B13R0.54 CC(=O)OCCCCOCC#CCCl 34a_200000047223_100000033659 [0,0,0,0,0,0|2,0,2]=4 411 B13R0.54 CC(=O)OCCCCOCC#CCO 34a_100000073216_200000047223 [0,0,0,0,0,0|2,0,2]=4 412 B13R0.54 CC(=O)OCCCCOCC#CCO 7a_100000073216_200000047223 [0,0,0,0,0,0|2,0,2]=4 413 B13R0.54 CC(=O)OCCCCOCCCC#N 7a_100000073216_100000687738 [0,0,0,0,0,0|2,0,1]=3 414 B13R0.54 CC(=O)OCCCCOCCCC=O 7a_100000073216_200011292268 [0,0,0,0,0,0|2,0,1]=3 415 B13R0.54 CC(=O)OCCCCOCCCCBr 34a_100011216708_100000033659 [0,0,0,0,0,0|2,0,0]=2 416 B13R0.54 CC(=O)OCCCCOCCCCCl 34a_100000210776_100000033659 [0,0,0,0,0,0|2,0,0]=2 417 B13R0.54 CC(=O)OCCCCOCCCCCl 7a_100000210776_100000033659 [0,0,0,0,0,0|2,0,0]=2 418 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100000073216_100000729493 [0,0,0,0,0,0|2,0,0]=2 419 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100011995726_100000033659 [0,0,0,0,0,0|2,0,0]=2 420 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100000073216_100000729493 [0,0,0,0,0,0|2,0,0]=2 421 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100011995726_100000033659 [0,0,0,0,0,0|2,0,0]=2 422 B13R0.54 CC(=O)OCCCCOCCCCI 34a_200012148704_100000033659 [0,0,0,0,0,0|2,0,0]=2 423 B13R0.54 CC(=O)OCCCCOCCCCN 34a_100000750430_100000033659 [0,0,0,0,0,0|2,0,0]=2 424 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [0,0,0,0,0,0|2,0,0]=2 425 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [0,0,0,0,0,0|2,0,0]=2 426 B13R0.54 CC(=O)OCCCCSCC#CCO 62a_100000033659_200000047223 [0,0,0,0,0,0|2,0,2]=4 427 B13R0.54 CC(=O)OCCCCSCC#CCO 62a_200000047223_100000033659 [0,0,0,0,0,0|2,0,2]=4 428 B13R0.54 CC(=O)OCCCCSCCCC#N 62a_100000033659_100000687738 [0,0,0,0,0,0|2,0,1]=3 429 B13R0.54 CC(=O)OCCCCSCCCC#N 62a_100000687738_100000033659 [0,0,0,0,0,0|2,0,1]=3 430 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_100000033659_200011292268 [0,0,0,0,0,0|2,0,1]=3 431 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_200011292268_100000033659 [0,0,0,0,0,0|2,0,1]=3 432 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000033659_100000729493 [0,0,0,0,0,0|2,0,0]=2 433 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000729493_100000033659 [0,0,0,0,0,0|2,0,0]=2 434 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [0,0,0,0,0,0|2,0,0]=2 435 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [0,0,0,0,0,0|2,0,0]=2 436 B13R0.54 CC(=O)OCCCCSCCSC#N 62a_100000033659_100000034367 [0,0,0,0,0,0|3,0,1]=4 437 B13R0.54 CC(=O)OCCCCSCCSC#N 62a_100000034367_100000033659 [0,0,0,0,0,0|3,0,1]=4 438 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [0,0,0,0,0,0|2,0,0]=2 439 B13R0.54 CC(=O)OCCCNCCOCCO 34a_100000211614_100000042594 [0,0,0,0,0,0|3,0,0]=3 440 B13R0.54 CC(=O)OCCCOCCCCCBr 34a_100000746331_100000042594 [0,0,0,0,0,0|2,0,0]=2 441 B13R0.54 CC(=O)OCCCOCCCCCBr 7a_100000746331_100000042594 [0,0,0,0,0,0|2,0,0]=2 442 B13R0.54 CC(=O)OCCCOCCCCCCl 34a_100000746330_100000042594 [0,0,0,0,0,0|2,0,0]=2 443 B13R0.54 CC(=O)OCCCOCCCCCCl 7a_100000746330_100000042594 [0,0,0,0,0,0|2,0,0]=2 444 B13R0.54 CC(=O)OCCCOCCCCCI 34a_200012148887_100000042594 [0,0,0,0,0,0|2,0,0]=2 445 B13R0.54 CC(=O)OCCCOCCCCCI 7a_200012148887_100000042594 [0,0,0,0,0,0|2,0,0]=2 446 B13R0.54 CC(=O)OCCCOCCCCCN 34a_100000762737_100000042594 [0,0,0,0,0,0|2,0,0]=2 447 B13R0.54 CC(=O)OCCCOCCOCCBr 34a_100000692535_100000042594 [0,0,0,0,0,0|3,0,0]=3 448 B13R0.54 CC(=O)OCCCOCCOCCBr 7a_100000692535_100000042594 [0,0,0,0,0,0|3,0,0]=3 449 B13R0.54 CC(=O)OCCCOCCOCCCl 34a_100011215305_100000042594 [0,0,0,0,0,0|3,0,0]=3 450 B13R0.54 CC(=O)OCCCOCCOCCCl 7a_100011215305_100000042594 [0,0,0,0,0,0|3,0,0]=3 451 B13R0.54 CC(=O)OCCCOCCOCCF 34a_200015357709_100000042594 [0,0,0,0,0,0|3,0,0]=3 452 B13R0.54 CC(=O)OCCCOCCOCCF 7a_200015357709_100000042594 [0,0,0,0,0,0|3,0,0]=3 453 B13R0.54 CC(=O)OCCCOCCOCCI 34a_100012149058_100000042594 [0,0,0,0,0,0|3,0,0]=3 454 B13R0.54 CC(=O)OCCCOCCOCCI 7a_100012149058_100000042594 [0,0,0,0,0,0|3,0,0]=3 455 B13R0.54 CC(=O)OCCCOCCOCCN 34a_100000211614_100000042594 [0,0,0,0,0,0|3,0,0]=3 456 B13R0.54 CC(=O)OCCCSCCCCC#N 62a_100000042594_100000211819 [0,0,0,0,0,0|2,0,1]=3 457 B13R0.54 CC(=O)OCCCSCCCCC#N 62a_100011219923_100000042594 [0,0,0,0,0,0|2,0,1]=3 458 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000042594_100000139335 [0,0,0,0,0,0|2,0,1]=3 459 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000139335_100000042594 [0,0,0,0,0,0|2,0,1]=3 460 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000042594_100000729378 [0,0,0,0,0,0|2,0,0]=2 461 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000729378_100000042594 [0,0,0,0,0,0|2,0,0]=2 462 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [0,0,0,0,0,0|2,0,0]=2 463 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [0,0,0,0,0,0|2,0,0]=2 464 B13R0.54 CC(=O)OCCCSCCOCC#N 62a_100000042594_200000047693 [0,0,0,0,0,0|3,0,1]=4 465 B13R0.54 CC(=O)OCCCSCCOCC#N 62a_200000047693_100000042594 [0,0,0,0,0,0|3,0,1]=4 466 B13R0.54 CC(=O)OCCCSCCOCCO 62a_100000042594_100011215305 [0,0,0,0,0,0|3,0,0]=3 467 B13R0.54 CC(=O)OCCCSCCOCCO 62a_100011215305_100000042594 [0,0,0,0,0,0|3,0,0]=3 468 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [0,0,0,0,0,0|2,0,0]=2 469 B13R0.54 CC(=O)OCCOCCCCCCBr 34a_100011215345_100009814007 [0,0,0,0,0,0|2,0,0]=2 470 B13R0.54 CC(=O)OCCOCCCCCCBr 7a_100011215345_100009814007 [0,0,0,0,0,0|2,0,0]=2 471 B13R0.54 CC(=O)OCCOCCCCCCCl 34a_100000766143_100009814007 [0,0,0,0,0,0|2,0,0]=2 472 B13R0.54 CC(=O)OCCOCCCCCCCl 7a_100000766143_100009814007 [0,0,0,0,0,0|2,0,0]=2 473 B13R0.54 CC(=O)OCCOCCCCCCF 34a_100000732779_100009814007 [0,0,0,0,0,0|2,0,0]=2 474 B13R0.54 CC(=O)OCCOCCCCCCF 7a_100000732779_100009814007 [0,0,0,0,0,0|2,0,0]=2 475 B13R0.54 CC(=O)OCCOCCCCCCN 34a_100000686447_100009814007 [0,0,0,0,0,0|2,0,0]=2 476 B13R0.54 CC(=O)OCCOCCNCCCF 2230a_100015189416_200000083610 [0,0,0,0,0,0|3,0,0]=3 477 B13R0.54 CC(=O)OCCOCCNCCCF 34a_100015189416_200000083610 [0,0,0,0,0,0|3,0,0]=3 478 B13R0.54 CC(=O)OCCOCCOCCCBr 34a_100011217188_200000083610 [0,0,0,0,0,0|3,0,0]=3 479 B13R0.54 CC(=O)OCCOCCOCCCCl 34a_100000230001_200000083610 [0,0,0,0,0,0|3,0,0]=3 480 B13R0.54 CC(=O)OCCOCCOCCCF 34a_100000759539_200000083610 [0,0,0,0,0,0|3,0,0]=3 481 B13R0.54 CC(=O)OCCOCCOCCCN 34a_100000182051_200000083610 [0,0,0,0,0,0|3,0,0]=3 482 B13R0.54 CC(=O)OCCOCCOCCON 34a_100000700252_200000083610 [0,0,0,0,0,0|4,0,0]=4 483 B13R0.54 CC(=O)OCCOCCSCCC#N 62a_100011215226_200000083610 [0,0,0,0,0,0|3,0,1]=4 484 B13R0.54 CC(=O)OCCOCCSCCC#N 62a_200000083610_100011215226 [0,0,0,0,0,0|3,0,1]=4 485 B13R0.54 CC(=O)OCCOCCSCCCF 62a_100011934791_200000083610 [0,0,0,0,0,0|3,0,0]=3 486 B13R0.54 CC(=O)OCCOCCSCCCF 62a_200000083610_100011934791 [0,0,0,0,0,0|3,0,0]=3 487 B13R0.54 CC(=O)OCCOCCSCCCO 62a_100011215043_200000083610 [0,0,0,0,0,0|3,0,0]=3 488 B13R0.54 CC(=O)OCCOCCSCCCO 62a_200000083610_100011215043 [0,0,0,0,0,0|3,0,0]=3 489 B13R0.54 CC(=O)OCCOCNCCCCO 34a_100000750430_100000076355 [0,0,0,0,0,0|3,0,0]=3 490 B13R0.54 CC(=O)OCCOCOCCCCBr 34a_100011216708_100000076355 [0,0,0,0,0,0|3,0,0]=3 491 B13R0.54 CC(=O)OCCOCOCCCCCl 34a_100000210776_100000076355 [0,0,0,0,0,0|3,0,0]=3 492 B13R0.54 CC(=O)OCCOCOCCCCF 34a_100011995726_100000076355 [0,0,0,0,0,0|3,0,0]=3 493 B13R0.54 CC(=O)OCCOCOCCCCI 34a_200012148704_100000076355 [0,0,0,0,0,0|3,0,0]=3 494 B13R0.54 CC(=O)OCCOCOCCCCN 34a_100000750430_100000076355 [0,0,0,0,0,0|3,0,0]=3 495 B13R0.54 CC(=O)OCCOCSCCCC#N 62a_100000076355_100000687738 [0,0,0,0,0,0|3,0,1]=4 496 B13R0.54 CC(=O)OCCOCSCCCC#N 62a_100000687738_100000076355 [0,0,0,0,0,0|3,0,1]=4 497 B13R0.54 CC(=O)OCCOCSCCCC=O 62a_100000076355_200011292268 [0,0,0,0,0,0|3,0,1]=4 498 B13R0.54 CC(=O)OCCOCSCCCC=O 62a_200011292268_100000076355 [0,0,0,0,0,0|3,0,1]=4 499 B13R0.54 CC(=O)OCCOCSCCCCF 62a_100000076355_100000729493 [0,0,0,0,0,0|3,0,0]=3 500 B13R0.54 CC(=O)OCCOCSCCCCF 62a_100000729493_100000076355 [0,0,0,0,0,0|3,0,0]=3 501 B13R0.54 CC(=O)OCCOCSCCCCO 62a_100000076355_100000210776 [0,0,0,0,0,0|3,0,0]=3 502 B13R0.54 CC(=O)OCCOCSCCCCO 62a_100000210776_100000076355 [0,0,0,0,0,0|3,0,0]=3 503 B13R0.54 CC(=O)OCCSCCCCCC#N 62a_100009813376_100009814007 [0,0,0,0,0,0|2,0,1]=3 504 B13R0.54 CC(=O)OCCSCCCCCC#N 62a_100009814007_100009813376 [0,0,0,0,0,0|2,0,1]=3 505 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100000139337_100009814007 [0,0,0,0,0,0|2,0,1]=3 506 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100009814007_100000139337 [0,0,0,0,0,0|2,0,1]=3 507 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100009814007_100015922095 [0,0,0,0,0,0|2,0,0]=2 508 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100015922095_100009814007 [0,0,0,0,0,0|2,0,0]=2 509 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [0,0,0,0,0,0|2,0,0]=2 510 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [0,0,0,0,0,0|2,0,0]=2 511 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [0,0,0,0,0,0|2,0,0]=2 512 B13R0.54 CC(=O)OCNCCCOCCCO 34a_100011310245_100009813279 [0,0,0,0,0,0|3,0,0]=3 513 B13R0.54 CC(=O)OCOCCCCCCCBr 34a_100000760002_100009813279 [0,0,0,0,0,0|2,0,0]=2 514 B13R0.54 CC(=O)OCOCCCCCCCN 34a_100011996573_100009813279 [0,0,0,0,0,0|2,0,0]=2 515 B13R0.54 CC(=O)OCOCCCOCCCN 34a_100011310245_100009813279 [0,0,0,0,0,0|3,0,0]=3 516 B13R0.54 CC(=O)OCSCCCCCCC#N 62a_100000076356_100009813337 [0,0,0,0,0,0|2,0,1]=3 517 B13R0.54 CC(=O)OCSCCCCCCC#N 62a_100009813337_100000076356 [0,0,0,0,0,0|2,0,1]=3 518 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [0,0,0,0,0,0|2,0,0]=2 519 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [0,0,0,0,0,0|2,0,0]=2 520 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [0,0,0,0,0,0|2,1,0]=3 521 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [0,0,0,0,0,0|2,1,0]=3 522 B13R0.54 CC(=O)SCCCCOCCCCBr 34a_100011216708_200010402107 [0,0,0,0,0,0|2,1,0]=3 523 B13R0.54 CC(=O)SCCCCOCCCCCl 34a_100000210776_200010402107 [0,0,0,0,0,0|2,1,0]=3 524 B13R0.54 CC(=O)SCCCCOCCCCCl 7a_100000210776_200010402107 [0,0,0,0,0,0|2,1,0]=3 525 B13R0.54 CC(=O)SCCCCOCCCCF 34a_100011995726_200010402107 [0,0,0,0,0,0|2,1,0]=3 526 B13R0.54 CC(=O)SCCCCOCCCCF 7a_100011995726_200010402107 [0,0,0,0,0,0|2,1,0]=3 527 B13R0.54 CC(=O)SCCCCOCCCCI 34a_200012148704_200010402107 [0,0,0,0,0,0|2,1,0]=3 528 B13R0.54 CC(=O)SCCCCOCCCCN 34a_100000750430_200010402107 [0,0,0,0,0,0|2,1,0]=3 529 B13R0.54 CC(=O)SCCCCSCCCC#N 62a_100000687738_200010402107 [0,0,0,0,0,0|2,1,1]=4 530 B13R0.54 CC(=O)SCCCCSCCCC#N 62a_200010402107_100000687738 [0,0,0,0,0,0|2,1,1]=4 531 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200010402107_200011292268 [0,0,0,0,0,0|2,1,1]=4 532 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200011292268_200010402107 [0,0,0,0,0,0|2,1,1]=4 533 B13R0.54 CC(=O)SCCCCSCCCCF 62a_100000729493_200010402107 [0,0,0,0,0,0|2,1,0]=3 534 B13R0.54 CC(=O)SCCCCSCCCCF 62a_200010402107_100000729493 [0,0,0,0,0,0|2,1,0]=3 535 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [0,0,0,0,0,0|2,1,0]=3 536 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [0,0,0,0,0,0|2,1,0]=3 537 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [0,0,0,0,0,0|2,1,0]=3 538 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [0,0,0,0,0,0|2,1,0]=3 539 B13R0.54 CC(=O)SCCCNCCOCCO 2230a_100000211614_100000038929 [0,0,0,0,0,0|3,1,0]=4 540 B13R0.54 CC(=O)SCCCNCCOCCO 34a_100000211614_100000038929 [0,0,0,0,0,0|3,1,0]=4 541 B13R0.54 CC(=O)SCCCNCCSCCO 2230a_100011219999_100000038929 [0,0,0,0,0,0|3,1,0]=4 542 B13R0.54 CC(=O)SCCCOCCCCCBr 34a_100000746331_100000038929 [0,0,0,0,0,0|2,1,0]=3 543 B13R0.54 CC(=O)SCCCOCCCCCBr 7a_100000746331_100000038929 [0,0,0,0,0,0|2,1,0]=3 544 B13R0.54 CC(=O)SCCCOCCCCCCl 34a_100000746330_100000038929 [0,0,0,0,0,0|2,1,0]=3 545 B13R0.54 CC(=O)SCCCOCCCCCCl 7a_100000746330_100000038929 [0,0,0,0,0,0|2,1,0]=3 546 B13R0.54 CC(=O)SCCCOCCCCCI 34a_200012148887_100000038929 [0,0,0,0,0,0|2,1,0]=3 547 B13R0.54 CC(=O)SCCCOCCCCCI 7a_200012148887_100000038929 [0,0,0,0,0,0|2,1,0]=3 548 B13R0.54 CC(=O)SCCCOCCCCCN 34a_100000762737_100000038929 [0,0,0,0,0,0|2,1,0]=3 549 B13R0.54 CC(=O)SCCCOCCOCCBr 34a_100000692535_100000038929 [0,0,0,0,0,0|3,1,0]=4 550 B13R0.54 CC(=O)SCCCOCCOCCBr 7a_100000692535_100000038929 [0,0,0,0,0,0|3,1,0]=4 551 B13R0.54 CC(=O)SCCCOCCOCCCl 34a_100011215305_100000038929 [0,0,0,0,0,0|3,1,0]=4 552 B13R0.54 CC(=O)SCCCOCCOCCCl 7a_100011215305_100000038929 [0,0,0,0,0,0|3,1,0]=4 553 B13R0.54 CC(=O)SCCCOCCOCCF 34a_200015357709_100000038929 [0,0,0,0,0,0|3,1,0]=4 554 B13R0.54 CC(=O)SCCCOCCOCCF 7a_200015357709_100000038929 [0,0,0,0,0,0|3,1,0]=4 555 B13R0.54 CC(=O)SCCCOCCOCCI 34a_100012149058_100000038929 [0,0,0,0,0,0|3,1,0]=4 556 B13R0.54 CC(=O)SCCCOCCOCCI 7a_100012149058_100000038929 [0,0,0,0,0,0|3,1,0]=4 557 B13R0.54 CC(=O)SCCCOCCOCCN 34a_100000211614_100000038929 [0,0,0,0,0,0|3,1,0]=4 558 B13R0.54 CC(=O)SCCCSCCCCC#N 62a_100000038929_100000211819 [0,0,0,0,0,0|2,1,1]=4 559 B13R0.54 CC(=O)SCCCSCCCCC#N 62a_100011219923_100000038929 [0,0,0,0,0,0|2,1,1]=4 560 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000038929_100000139335 [0,0,0,0,0,0|2,1,1]=4 561 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000139335_100000038929 [0,0,0,0,0,0|2,1,1]=4 562 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000038929_100000729378 [0,0,0,0,0,0|2,1,0]=3 563 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000729378_100000038929 [0,0,0,0,0,0|2,1,0]=3 564 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [0,0,0,0,0,0|2,1,0]=3 565 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [0,0,0,0,0,0|2,1,0]=3 566 B13R0.54 CC(=O)SCCCSCCOCCO 62a_100000038929_100011215305 [0,0,0,0,0,0|3,1,0]=4 567 B13R0.54 CC(=O)SCCCSCCOCCO 62a_100011215305_100000038929 [0,0,0,0,0,0|3,1,0]=4 568 B13R0.54 CC(=S)OCCCNCCCCCO 2230a_100000762737_200135323944 [0,0,0,0,0,0|2,1,0]=3 569 B13R0.54 CC(=S)OCCCNCCCCCO 34a_100000762737_200135323944 [0,0,0,0,0,0|2,1,0]=3 570 B13R0.54 CC(=S)OCCCNCCOCCO 2230a_100000211614_200135323944 [0,0,0,0,0,0|3,1,0]=4 571 B13R0.54 CC(=S)OCCCNCCOCCO 34a_100000211614_200135323944 [0,0,0,0,0,0|3,1,0]=4 572 B13R0.54 CC(=S)OCCCNCCSCCO 2230a_100011219999_200135323944 [0,0,0,0,0,0|3,1,0]=4 573 B13R0.54 CC(=S)OCCCOCCCCCBr 34a_100000746331_200135323944 [0,0,0,0,0,0|2,1,0]=3 574 B13R0.54 CC(=S)OCCCOCCCCCBr 7a_100000746331_200135323944 [0,0,0,0,0,0|2,1,0]=3 575 B13R0.54 CC(=S)OCCCOCCCCCCl 34a_100000746330_200135323944 [0,0,0,0,0,0|2,1,0]=3 576 B13R0.54 CC(=S)OCCCOCCCCCCl 7a_100000746330_200135323944 [0,0,0,0,0,0|2,1,0]=3 577 B13R0.54 CC(=S)OCCCOCCCCCI 34a_200012148887_200135323944 [0,0,0,0,0,0|2,1,0]=3 578 B13R0.54 CC(=S)OCCCOCCCCCI 7a_200012148887_200135323944 [0,0,0,0,0,0|2,1,0]=3 579 B13R0.54 CC(=S)OCCCOCCCCCN 34a_100000762737_200135323944 [0,0,0,0,0,0|2,1,0]=3 580 B13R0.54 CC(=S)OCCCOCCOCCBr 34a_100000692535_200135323944 [0,0,0,0,0,0|3,1,0]=4 581 B13R0.54 CC(=S)OCCCOCCOCCBr 7a_100000692535_200135323944 [0,0,0,0,0,0|3,1,0]=4 582 B13R0.54 CC(=S)OCCCOCCOCCCl 34a_100011215305_200135323944 [0,0,0,0,0,0|3,1,0]=4 583 B13R0.54 CC(=S)OCCCOCCOCCCl 7a_100011215305_200135323944 [0,0,0,0,0,0|3,1,0]=4 584 B13R0.54 CC(=S)OCCCOCCOCCF 34a_200015357709_200135323944 [0,0,0,0,0,0|3,1,0]=4 585 B13R0.54 CC(=S)OCCCOCCOCCF 7a_200015357709_200135323944 [0,0,0,0,0,0|3,1,0]=4 586 B13R0.54 CC(=S)OCCCOCCOCCI 34a_100012149058_200135323944 [0,0,0,0,0,0|3,1,0]=4 587 B13R0.54 CC(=S)OCCCOCCOCCI 7a_100012149058_200135323944 [0,0,0,0,0,0|3,1,0]=4 588 B13R0.54 CC(=S)OCCCOCCOCCN 34a_100000211614_200135323944 [0,0,0,0,0,0|3,1,0]=4 589 B13R0.54 CC(=S)OCCCSCCCCC#N 62a_100011219923_200135323944 [0,0,0,0,0,0|2,1,1]=4 590 B13R0.54 CC(=S)OCCCSCCCCC#N 62a_200135323944_100000211819 [0,0,0,0,0,0|2,1,1]=4 591 B13R0.54 CC(=S)OCCCSCCCCC=O 62a_100000139335_200135323944 [0,0,0,0,0,0|2,1,1]=4 592 B13R0.54 CC(=S)OCCCSCCCCC=O 62a_200135323944_100000139335 [0,0,0,0,0,0|2,1,1]=4 593 B13R0.54 CC(=S)OCCCSCCCCCF 62a_100000729378_200135323944 [0,0,0,0,0,0|2,1,0]=3 594 B13R0.54 CC(=S)OCCCSCCCCCF 62a_200135323944_100000729378 [0,0,0,0,0,0|2,1,0]=3 595 B13R0.54 CC(=S)OCCCSCCCCCO 62a_100000746330_200135323944 [0,0,0,0,0,0|2,1,0]=3 596 B13R0.54 CC(=S)OCCCSCCCCCO 62a_200135323944_100000746330 [0,0,0,0,0,0|2,1,0]=3 597 B13R0.54 CC(=S)OCCCSCCOCCO 62a_100011215305_200135323944 [0,0,0,0,0,0|3,1,0]=4 598 B13R0.54 CC(=S)OCCCSCCOCCO 62a_200135323944_100011215305 [0,0,0,0,0,0|3,1,0]=4 599 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100000078944_100000210206 [0,0,0,0,0,0|3,0,1]=4 600 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100138425928_100009813782 [0,0,0,0,0,0|3,0,1]=4 601 B13R0.54 CC(C)NCCCCCCCCCO 34a_100000078944_100000210206 [0,0,0,0,0,0|3,0,1]=4 602 B13R0.54 CC(C)NCCCCCCCCCO 34a_100138425928_100009813782 [0,0,0,0,0,0|3,0,1]=4 603 B13R0.54 CC(C)OCCCCCCCCCBr 34a_100009813782_100000210206 [0,0,0,0,0,0|2,0,1]=3 604 B13R0.54 CC(C)OCCCCCCCCCBr 7a_100009813782_100000210206 [0,0,0,0,0,0|2,0,1]=3 605 B13R0.54 CC(C)OCCCCCCCCCCl 34a_100009868337_100000210206 [0,0,0,0,0,0|2,0,1]=3 606 B13R0.54 CC(C)OCCCCCCCCCCl 7a_100009868337_100000210206 [0,0,0,0,0,0|2,0,1]=3 607 B13R0.54 CC(C)OCCCCCCCCCN 34a_100000078944_100000210206 [0,0,0,0,0,0|2,0,1]=3 608 B13R0.54 CC(C)OCCCCCCCCCO 34a_100000212225_100009813782 [0,0,0,0,0,0|2,0,1]=3 609 B13R0.54 CC(C)OCCCNCCCCCF 2230a_100000737246_100000729378 [0,0,0,0,0,0|3,0,1]=4 610 B13R0.54 CC(C)OCCCNCCCCCF 34a_100000737246_100000729378 [0,0,0,0,0,0|3,0,1]=4 611 B13R0.54 CC(C)OCCCNCCCCCO 2230a_100000737246_100000746330 [0,0,0,0,0,0|3,0,1]=4 612 B13R0.54 CC(C)OCCCNCCCCCO 34a_100000737246_100000746330 [0,0,0,0,0,0|3,0,1]=4 613 B13R0.54 CC(C)OCCNCCCCCCF 2230a_100000701111_100015922095 [0,0,0,0,0,0|3,0,1]=4 614 B13R0.54 CC(C)OCCNCCCCCCF 34a_100000701111_100015922095 [0,0,0,0,0,0|3,0,1]=4 615 B13R0.54 CC(C)OCCNCCCCCCO 2230a_100000686447_100000211751 [0,0,0,0,0,0|3,0,1]=4 616 B13R0.54 CC(C)OCCNCCCCCCO 2230a_100000701111_100000766143 [0,0,0,0,0,0|3,0,1]=4 617 B13R0.54 CC(C)OCCNCCCCCCO 34a_100000686447_100000211751 [0,0,0,0,0,0|3,0,1]=4 618 B13R0.54 CC(C)OCCNCCCCCCO 34a_100000701111_100000766143 [0,0,0,0,0,0|3,0,1]=4 619 B13R0.54 CC(C)OCCOCCCCCCBr 34a_100011215345_100000211751 [0,0,0,0,0,0|3,0,1]=4 620 B13R0.54 CC(C)OCCOCCCCCCBr 7a_100011215345_100000211751 [0,0,0,0,0,0|3,0,1]=4 621 B13R0.54 CC(C)OCCOCCCCCCCl 34a_100000766143_100000211751 [0,0,0,0,0,0|3,0,1]=4 622 B13R0.54 CC(C)OCCOCCCCCCCl 7a_100000766143_100000211751 [0,0,0,0,0,0|3,0,1]=4 623 B13R0.54 CC(C)OCCOCCCCCCF 34a_100000211219_100015922095 [0,0,0,0,0,0|3,0,1]=4 624 B13R0.54 CC(C)OCCOCCCCCCF 34a_100000732779_100000211751 [0,0,0,0,0,0|3,0,1]=4 625 B13R0.54 CC(C)OCCOCCCCCCF 7a_100000211219_100015922095 [0,0,0,0,0,0|3,0,1]=4 626 B13R0.54 CC(C)OCCOCCCCCCF 7a_100000732779_100000211751 [0,0,0,0,0,0|3,0,1]=4 627 B13R0.54 CC(C)OCCOCCCCCCN 34a_100000686447_100000211751 [0,0,0,0,0,0|3,0,1]=4 628 B13R0.54 CC(C)OCCOCCCCCCO 34a_100000211219_100000766143 [0,0,0,0,0,0|3,0,1]=4 629 B13R0.54 CC(C)OCCOCCCCCCO 7a_100000211219_100000766143 [0,0,0,0,0,0|3,0,1]=4 630 B13R0.54 CC(C)OCCSCCCCCCF 62a_100000211751_100015922095 [0,0,0,0,0,0|3,0,1]=4 631 B13R0.54 CC(C)OCCSCCCCCCF 62a_100015922095_100000211751 [0,0,0,0,0,0|3,0,1]=4 632 B13R0.54 CC(C)OCCSCCCCCCO 62a_100000211751_100000766143 [0,0,0,0,0,0|3,0,1]=4 633 B13R0.54 CC(C)OCCSCCCCCCO 62a_100000766143_100000211751 [0,0,0,0,0,0|3,0,1]=4 634 B13R0.54 CC(C)OCNCCCCCCCO 2230a_100011996573_100000709892 [0,0,0,0,0,0|3,0,1]=4 635 B13R0.54 CC(C)OCNCCCCCCCO 34a_100011996573_100000709892 [0,0,0,0,0,0|3,0,1]=4 636 B13R0.54 CC(C)OCOCCCCCCCBr 34a_100000760002_100000709892 [0,0,0,0,0,0|3,0,1]=4 637 B13R0.54 CC(C)OCOCCCCCCCN 34a_100011996573_100000709892 [0,0,0,0,0,0|3,0,1]=4 638 B13R0.54 CC(C)OCSCCCCCCCO 62a_100000709892_100000760002 [0,0,0,0,0,0|3,0,1]=4 639 B13R0.54 CC(C)OCSCCCCCCCO 62a_100000760002_100000709892 [0,0,0,0,0,0|3,0,1]=4 640 B13R0.54 CC(C)SCCCCCCCCCO 62a_100000210206_100009813782 [0,0,0,0,0,0|2,1,1]=4 641 B13R0.54 CC(C)SCCCCCCCCCO 62a_100009813782_100000210206 [0,0,0,0,0,0|2,1,1]=4 642 B13R0.54 CC/C=C/CCCOCCCC(=O)C 34a_100016287902_100000685027 [0,0,0,0,0,0|2,0,2]=4 643 B13R0.54 CC/C=C/CCCOCCCC(=O)C 7a_100016287902_100011215641 [0,0,0,0,0,0|2,0,2]=4 644 B13R0.54 CC/C=C/CCCOCCNC(=O)C 7a_100016287902_100000189650 [0,0,0,0,0,0|2,0,2]=4 645 B13R0.54 CC/C=C/CCCOCCOC(=O)C 34a_100016287902_100009814007 [0,0,0,0,0,0|1,0,2]=3 646 B13R0.54 CC/C=C/CCCOCCOC(=O)C 7a_100016287902_100009814007 [0,0,0,0,0,0|1,0,2]=3 647 B13R0.54 CC/C=C/CCCOCCOC(=O)N 34a_100016287902_200011214921 [0,0,0,0,0,0|2,0,2]=4 648 B13R0.54 CC/C=C/CCCOCCOC(=O)N 7a_100016287902_200011214921 [0,0,0,0,0,0|2,0,2]=4 649 B13R0.54 CC/C=C\CCCCOCCC(=O)C 7a_100016287862_100000053229 [0,0,0,0,0,0|2,0,2]=4 650 B13R0.54 CC/C=C\CCCCOCOC(=O)C 34a_100016287862_100009813279 [0,0,0,0,0,0|1,0,2]=3 651 B13R0.54 CC/C=C\CCNCCCNC(=O)C 34a_100000736810_100015370543 [0,0,0,0,0,0|2,0,2]=4 652 B13R0.54 CC/C=C\CCOCCCCC(=O)C 34a_100016288707_100009817362 [0,0,0,0,0,0|2,0,2]=4 653 B13R0.54 CC/C=C\CCOCCCCC(=O)C 7a_100016288707_100000735457 [0,0,0,0,0,0|2,0,2]=4 654 B13R0.54 CC/C=C\CCOCCCNC(=O)C 34a_100000752032_100015370543 [0,0,0,0,0,0|2,0,2]=4 655 B13R0.54 CC/C=C\CCOCCCOC(=O)C 34a_100016288707_100000042594 [0,0,0,0,0,0|1,0,2]=3 656 B13R0.54 CC/C=C\CCOCCCOC(=O)C 7a_100016288707_100000042594 [0,0,0,0,0,0|1,0,2]=3 657 B13R0.54 CC/C=C\CCOCCCOC(=S)C 34a_100016288707_200135323944 [0,0,0,0,0,0|1,1,2]=4 658 B13R0.54 CC/C=C\CCOCCCOC(=S)C 7a_100016288707_200135323944 [0,0,0,0,0,0|1,1,2]=4 659 B13R0.54 CC/C=C\CCOCCCSC(=O)C 34a_100016288707_100000038929 [0,0,0,0,0,0|1,1,2]=4 660 B13R0.54 CC/C=C\CCOCCCSC(=O)C 7a_100016288707_100000038929 [0,0,0,0,0,0|1,1,2]=4 661 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100000735457_100015370543 [0,0,0,0,0,0|2,0,2]=4 662 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100015370543_100000735457 [0,0,0,0,0,0|2,0,2]=4 663 B13R0.54 CC/C=C\CCSCCCOC(=O)C 62a_100000042594_100015370543 [0,0,0,0,0,0|1,0,2]=3 664 B13R0.54 CC/C=C\CCSCCCOC(=O)C 62a_100015370543_100000042594 [0,0,0,0,0,0|1,0,2]=3 665 B13R0.54 CC/C=C\CCSCCCOC(=S)C 62a_100015370543_200135323944 [0,0,0,0,0,0|1,1,2]=4 666 B13R0.54 CC/C=C\CCSCCCOC(=S)C 62a_200135323944_100015370543 [0,0,0,0,0,0|1,1,2]=4 667 B13R0.54 CC/C=C\CCSCCCSC(=O)C 62a_100000038929_100015370543 [0,0,0,0,0,0|1,1,2]=4 668 B13R0.54 CC/C=C\CCSCCCSC(=O)C 62a_100015370543_100000038929 [0,0,0,0,0,0|1,1,2]=4 669 B13R0.54 CC/C=C\CNCCCCNC(=O)C 2230a_200011368371_100103147603 [0,0,0,0,0,0|2,0,2]=4 670 B13R0.54 CC/C=C\CNCCCCNC(=O)C 34a_200011368371_100103147603 [0,0,0,0,0,0|2,0,2]=4 671 B13R0.54 CC/C=C\COCCCCOC(=O)C 34a_100000073216_100103147603 [0,0,0,0,0,0|1,0,2]=3 672 B13R0.54 CC/C=C\COCCCCOC(=O)C 34a_100016268518_100000033659 [0,0,0,0,0,0|1,0,2]=3 673 B13R0.54 CC/C=C\COCCCCOC(=O)C 7a_100000073216_100103147603 [0,0,0,0,0,0|1,0,2]=3 674 B13R0.54 CC/C=C\COCCCCSC(=O)C 34a_100016268518_200010402107 [0,0,0,0,0,0|1,1,2]=4 675 B13R0.54 CC/C=C\COCOCCOC(=O)C 34a_100016268518_100000076355 [0,0,0,0,0,0|2,0,2]=4 676 B13R0.54 CC/C=C\CSCCCCOC(=O)C 62a_100000033659_100103147603 [0,0,0,0,0,0|1,0,2]=3 677 B13R0.54 CC/C=C\CSCCCCOC(=O)C 62a_100103147603_100000033659 [0,0,0,0,0,0|1,0,2]=3 678 B13R0.54 CC/C=C\CSCCCCSC(=O)C 62a_100103147603_200010402107 [0,0,0,0,0,0|1,1,2]=4 679 B13R0.54 CC/C=C\CSCCCCSC(=O)C 62a_200010402107_100103147603 [0,0,0,0,0,0|1,1,2]=4 680 B13R0.54 CC/C=C\CSCOCCOC(=O)C 62a_100000076355_100103147603 [0,0,0,0,0,0|2,0,2]=4 681 B13R0.54 CC/C=C\CSCOCCOC(=O)C 62a_100103147603_100000076355 [0,0,0,0,0,0|2,0,2]=4 682 B13R0.54 CC=C=CCCOCCCOC(=O)C 34a_100011020354_100000042594 [0,0,0,0,0,0|1,0,3]=4 683 B13R0.54 CC=CCCCOCCCCC(=O)C 34a_100020645299_100009817362 [0,0,0,0,0,0|2,0,2]=4 684 B13R0.54 CC=CCCCOCCCOC(=O)C 34a_100020645299_100000042594 [0,0,0,0,0,0|1,0,2]=3 685 B13R0.54 CC=CCCCOCCCOC(=S)C 34a_100020645299_200135323944 [0,0,0,0,0,0|1,1,2]=4 686 B13R0.54 CC=CCCCOCCCSC(=O)C 34a_100020645299_100000038929 [0,0,0,0,0,0|1,1,2]=4 687 B13R0.54 CC=CCNCCCCCNC(=O)C 2230a_200012022750_100000070051 [0,0,0,0,0,0|2,0,2]=4 688 B13R0.54 CC=CCNCCCCCNC(=O)C 34a_200012022750_100000070051 [0,0,0,0,0,0|2,0,2]=4 689 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000033007_100000070051 [0,0,0,0,0,0|1,0,2]=3 690 B13R0.54 CC=CCSCCCCCOC(=O)C 62a_100000070051_100000033007 [0,0,0,0,0,0|1,0,2]=3 691 B13R0.54 CC=CCSCCOCCOC(=O)C 62a_100000070051_200000083610 [0,0,0,0,0,0|2,0,2]=4 692 B13R0.54 CC=CCSCCOCCOC(=O)C 62a_200000083610_100000070051 [0,0,0,0,0,0|2,0,2]=4 693 B13R0.54 CCC#CCCCCCCOC(C)C 34a_100000212225_200000036426 [0,0,0,0,0,0|1,0,3]=4 694 B13R0.54 CCC#CCCOCCCCC(=O)C 34a_100000036655_100009817362 [0,0,0,0,0,0|2,0,2]=4 695 B13R0.54 CCC#CCCOCCCCC(=O)C 7a_100000036655_100000735457 [0,0,0,0,0,0|2,0,2]=4 696 B13R0.54 CCC#CCCOCCCOC(=O)C 34a_100000036655_100000042594 [0,0,0,0,0,0|1,0,2]=3 697 B13R0.54 CCC#CCCOCCCOC(=O)C 7a_100000036655_100000042594 [0,0,0,0,0,0|1,0,2]=3 698 B13R0.54 CCC#CCCOCCCOC(=S)C 34a_100000036655_200135323944 [0,0,0,0,0,0|1,1,2]=4 699 B13R0.54 CCC#CCCOCCCOC(=S)C 7a_100000036655_200135323944 [0,0,0,0,0,0|1,1,2]=4 700 B13R0.54 CCC#CCCOCCCSC(=O)C 34a_100000036655_100000038929 [0,0,0,0,0,0|1,1,2]=4 701 B13R0.54 CCC#CCCOCCCSC(=O)C 7a_100000036655_100000038929 [0,0,0,0,0,0|1,1,2]=4 702 B13R0.54 CCC#CCNCCCCNC(=O)C 2230a_200011368371_100009813939 [0,0,0,0,0,0|2,0,2]=4 703 B13R0.54 CCC#CCNCCCCNC(=O)C 34a_200011368371_100009813939 [0,0,0,0,0,0|2,0,2]=4 704 B13R0.54 CCC#CCOCCCCOC(=O)C 34a_100000032950_100000033659 [0,0,0,0,0,0|1,0,2]=3 705 B13R0.54 CCC#CCOCCCCOC(=O)C 34a_100000073216_100009813939 [0,0,0,0,0,0|1,0,2]=3 706 B13R0.54 CCC#CCOCCCCOC(=O)C 7a_100000073216_100009813939 [0,0,0,0,0,0|1,0,2]=3 707 B13R0.54 CCC#CCOCCCCSC(=O)C 34a_100000032950_200010402107 [0,0,0,0,0,0|1,1,2]=4 708 B13R0.54 CCC#CCOCOCCOC(=O)C 34a_100000032950_100000076355 [0,0,0,0,0,0|2,0,2]=4 709 B13R0.54 CCC#CCSCCCCOC(=O)C 62a_100000033659_100009813939 [0,0,0,0,0,0|1,0,2]=3 710 B13R0.54 CCC#CCSCCCCOC(=O)C 62a_100009813939_100000033659 [0,0,0,0,0,0|1,0,2]=3 711 B13R0.54 CCC#CCSCCCCSC(=O)C 62a_100009813939_200010402107 [0,0,0,0,0,0|1,1,2]=4 712 B13R0.54 CCC#CCSCCCCSC(=O)C 62a_200010402107_100009813939 [0,0,0,0,0,0|1,1,2]=4 713 B13R0.54 CCC#CCSCOCCOC(=O)C 62a_100000076355_100009813939 [0,0,0,0,0,0|2,0,2]=4 714 B13R0.54 CCC#CCSCOCCOC(=O)C 62a_100009813939_100000076355 [0,0,0,0,0,0|2,0,2]=4 715 B13R0.54 CCC/C=C/COCCCCC(=O)C 34a_100016278788_100009817362 [0,0,0,0,0,0|2,0,2]=4 716 B13R0.54 CCC/C=C/COCCCCC(=O)C 7a_100016278788_100000735457 [0,0,0,0,0,0|2,0,2]=4 717 B13R0.54 CCC/C=C/COCCCOC(=O)C 34a_100016278788_100000042594 [0,0,0,0,0,0|1,0,2]=3 718 B13R0.54 CCC/C=C/COCCCOC(=O)C 7a_100016278788_100000042594 [0,0,0,0,0,0|1,0,2]=3 719 B13R0.54 CCC/C=C/COCCCOC(=S)C 34a_100016278788_200135323944 [0,0,0,0,0,0|1,1,2]=4 720 B13R0.54 CCC/C=C/COCCCOC(=S)C 7a_100016278788_200135323944 [0,0,0,0,0,0|1,1,2]=4 721 B13R0.54 CCC/C=C/COCCCSC(=O)C 34a_100016278788_100000038929 [0,0,0,0,0,0|1,1,2]=4 722 B13R0.54 CCC/C=C/COCCCSC(=O)C 7a_100016278788_100000038929 [0,0,0,0,0,0|1,1,2]=4 723 B13R0.54 CCCC#CCCOCCCC(=O)C 34a_100000042726_100000685027 [0,0,0,0,0,0|2,0,2]=4 724 B13R0.54 CCCC#CCCOCCCC(=O)C 7a_100000042726_100011215641 [0,0,0,0,0,0|2,0,2]=4 725 B13R0.54 CCCC#CCCOCCNC(=O)C 7a_100000042726_100000189650 [0,0,0,0,0,0|2,0,2]=4 726 B13R0.54 CCCC#CCCOCCOC(=O)C 34a_100000042726_100009814007 [0,0,0,0,0,0|1,0,2]=3 727 B13R0.54 CCCC#CCCOCCOC(=O)C 7a_100000042726_100009814007 [0,0,0,0,0,0|1,0,2]=3 728 B13R0.54 CCCC#CCCOCCOC(=O)N 34a_100000042726_200011214921 [0,0,0,0,0,0|2,0,2]=4 729 B13R0.54 CCCC#CCCOCCOC(=O)N 7a_100000042726_200011214921 [0,0,0,0,0,0|2,0,2]=4 730 B13R0.54 CCCC#CCOCCCCC(=O)C 34a_100000034806_100009817362 [0,0,0,0,0,0|2,0,2]=4 731 B13R0.54 CCCC#CCOCCCCC(=O)C 7a_100000034806_100000735457 [0,0,0,0,0,0|2,0,2]=4 732 B13R0.54 CCCC#CCOCCCOC(=O)C 34a_100000034806_100000042594 [0,0,0,0,0,0|1,0,2]=3 733 B13R0.54 CCCC#CCOCCCOC(=O)C 7a_100000034806_100000042594 [0,0,0,0,0,0|1,0,2]=3 734 B13R0.54 CCCC#CCOCCCOC(=S)C 34a_100000034806_200135323944 [0,0,0,0,0,0|1,1,2]=4 735 B13R0.54 CCCC#CCOCCCOC(=S)C 7a_100000034806_200135323944 [0,0,0,0,0,0|1,1,2]=4 736 B13R0.54 CCCC#CCOCCCSC(=O)C 34a_100000034806_100000038929 [0,0,0,0,0,0|1,1,2]=4 737 B13R0.54 CCCC#CCOCCCSC(=O)C 7a_100000034806_100000038929 [0,0,0,0,0,0|1,1,2]=4 738 B13R0.54 CCCC/C=C/CCCCOC(C)C 34a_200020645093_100000210206 [0,0,0,0,0,0|1,0,3]=4 739 B13R0.54 CCCC/C=C/CCCCOC(C)C 7a_200020645093_100000210206 [0,0,0,0,0,0|1,0,3]=4 740 B13R0.54 CCCC/C=C/COCCCC(=O)C 34a_200016272032_100000685027 [0,0,0,0,0,0|2,0,2]=4 741 B13R0.54 CCCC/C=C/COCCCC(=O)C 7a_200016272032_100011215641 [0,0,0,0,0,0|2,0,2]=4 742 B13R0.54 CCCC/C=C/COCCNC(=O)C 7a_200016272032_100000189650 [0,0,0,0,0,0|2,0,2]=4 743 B13R0.54 CCCC/C=C/COCCOC(=O)C 34a_200016272032_100009814007 [0,0,0,0,0,0|1,0,2]=3 744 B13R0.54 CCCC/C=C/COCCOC(=O)C 7a_200016272032_100009814007 [0,0,0,0,0,0|1,0,2]=3 745 B13R0.54 CCCC/C=C/COCCOC(=O)N 34a_200016272032_200011214921 [0,0,0,0,0,0|2,0,2]=4 746 B13R0.54 CCCC/C=C/COCCOC(=O)N 7a_200016272032_200011214921 [0,0,0,0,0,0|2,0,2]=4 747 B13R0.54 CCCC/C=C\CCOCCC(=O)C 7a_200016286491_100000053229 [0,0,0,0,0,0|2,0,2]=4 748 B13R0.54 CCCC/C=C\CCOCOC(=O)C 34a_200016286491_100009813279 [0,0,0,0,0,0|1,0,2]=3 749 B13R0.54 CCCCC#CCCCCOC(C)C 34a_200000066234_100000210206 [0,0,0,0,0,0|1,0,3]=4 750 B13R0.54 CCCCC#CCCCCOC(C)C 7a_200000066234_100000210206 [0,0,0,0,0,0|1,0,3]=4 751 B13R0.54 CCCCC#CCCCOCC(=O)C 34a_100000211253_200000047210 [0,0,0,0,0,0|2,0,2]=4 752 B13R0.54 CCCCC#CCCOCCC(=O)C 7a_100000037610_100000053229 [0,0,0,0,0,0|2,0,2]=4 753 B13R0.54 CCCCC#CCCOCOC(=O)C 34a_100000037610_100009813279 [0,0,0,0,0,0|1,0,2]=3 754 B13R0.54 CCCCC#CCOCCCC(=O)C 34a_200000034558_100000685027 [0,0,0,0,0,0|2,0,2]=4 755 B13R0.54 CCCCC#CCOCCCC(=O)C 7a_200000034558_100011215641 [0,0,0,0,0,0|2,0,2]=4 756 B13R0.54 CCCCC#CCOCCNC(=O)C 7a_200000034558_100000189650 [0,0,0,0,0,0|2,0,2]=4 757 B13R0.54 CCCCC#CCOCCOC(=O)C 34a_200000034558_100009814007 [0,0,0,0,0,0|1,0,2]=3 758 B13R0.54 CCCCC#CCOCCOC(=O)C 7a_200000034558_100009814007 [0,0,0,0,0,0|1,0,2]=3 759 B13R0.54 CCCCC#CCOCCOC(=O)N 34a_200000034558_200011214921 [0,0,0,0,0,0|2,0,2]=4 760 B13R0.54 CCCCC#CCOCCOC(=O)N 7a_200000034558_200011214921 [0,0,0,0,0,0|2,0,2]=4 761 B13R0.54 CCCCC/C=C/COCCC(=O)C 7a_100016258190_100000053229 [0,0,0,0,0,0|2,0,2]=4 762 B13R0.54 CCCCC/C=C/COCOC(=O)C 34a_100016258190_100009813279 [0,0,0,0,0,0|1,0,2]=3 763 B13R0.54 CCCCC/C=C\CCCOC(C)C 34a_100020655193_100000210206 [0,0,0,0,0,0|1,0,3]=4 764 B13R0.54 CCCCC/C=C\CCCOC(C)C 7a_100020655193_100000210206 [0,0,0,0,0,0|1,0,3]=4 765 B13R0.54 CCCCCC#CCOCCC(=O)C 34a_100000759926_100009816472 [0,0,0,0,0,0|2,0,2]=4 766 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_100000759926_100009816472 [0,0,0,0,0,0|2,0,2]=4 767 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_200000033628_100000053229 [0,0,0,0,0,0|2,0,2]=4 768 B13R0.54 CCCCCC#CCOCOC(=O)C 34a_200000033628_100009813279 [0,0,0,0,0,0|1,0,2]=3 769 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100000053229_100009816472 [0,0,0,0,0,0|2,0,2]=4 770 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100009816472_100000053229 [0,0,0,0,0,0|2,0,2]=4 771 B13R0.54 CCCCCC#CCSCOC(=O)C 62a_100000076356_100009816472 [0,0,0,0,0,0|1,0,2]=3 772 B13R0.54 CCCCCC#CCSCOC(=O)C 62a_100009816472_100000076356 [0,0,0,0,0,0|1,0,2]=3 773 B13R0.54 CCCCCCC#CCCOC(C)C 34a_200000033163_100000210206 [0,0,0,0,0,0|1,0,3]=4 774 B13R0.54 CCCCCCC#CCCOC(C)C 7a_200000033163_100000210206 [0,0,0,0,0,0|1,0,3]=4 775 B13R0.54 CCCCCCCC#CCOC(C)C 34a_200000061759_100000210206 [0,0,0,0,0,0|1,0,3]=4 776 B13R0.54 CCCCCCCC#CCOC(C)C 7a_200000061759_100000210206 [0,0,0,0,0,0|1,0,3]=4 777 B13R0.54 CCCCCCCCC=NNC(=O)C 4a_100000189765_100011218696 [0,0,0,0,0,0|2,0,1]=3 778 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,0,0,0,0,0|1,0,1]=2 779 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,0,0,0,0,0|1,0,1]=2 780 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,0,0,0,0,0|1,0,0]=1 781 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,0,0,0,0,0|1,0,0]=1 782 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,0,0,0,0,0|1,0,0]=1 783 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [0,0,0,0,0,0|3,0,0]=3 784 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [0,0,0,0,0,0|3,0,0]=3 785 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,0,0,0,0,0|1,0,0]=1 786 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,0,0,0,0,0|1,0,0]=1 787 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,0,0,0,0,0|1,0,0]=1 788 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,0,0,0,0,0|1,0,0]=1 789 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100000684558_100000210206 [0,0,0,0,0,0|2,0,1]=3 790 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100138425928_100000210320 [0,0,0,0,0,0|2,0,1]=3 791 B13R0.54 CCCCCCCCCCNC(C)C 34a_100000684558_100000210206 [0,0,0,0,0,0|2,0,1]=3 792 B13R0.54 CCCCCCCCCCNC(C)C 34a_100138425928_100000210320 [0,0,0,0,0,0|2,0,1]=3 793 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000210711_100000210206 [0,0,0,0,0,0|1,0,1]=2 794 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000212225_100000210320 [0,0,0,0,0,0|1,0,1]=2 795 B13R0.54 CCCCCCCCCCOC(C)C 7a_100000210711_100000210206 [0,0,0,0,0,0|1,0,1]=2 796 B13R0.54 CCCCCCCCCCSC(C)C 62a_100000210206_100000210320 [0,0,0,0,0,0|1,1,1]=3 797 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,0,0,0,0,0|3,0,0]=3 798 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,0,0,0,0,0|3,0,0]=3 799 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,0,0,0,0,0|3,0,0]=3 800 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,0,0,0,0,0|3,0,0]=3 801 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,0,0,0,0,0|3,0,0]=3 802 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000210953_100011214924 [0,0,0,0,0,0|3,0,1]=4 803 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000212291_100000210760 [0,0,0,0,0,0|3,0,1]=4 804 B13R0.54 CCCCCCCCCNCC(C)C 270004a_100000212291_100000210432 [0,0,0,0,0,0|3,0,1]=4 805 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000210953_100011214924 [0,0,0,0,0,0|3,0,1]=4 806 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000212291_100000210624 [0,0,0,0,0,0|3,0,1]=4 807 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,0,0,0,0,0|2,0,2]=4 808 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,0,0,0,0,0|2,0,2]=4 809 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,0,0,0,0,0|2,0,2]=4 810 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,0,0,0,0,0|2,0,2]=4 811 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,0,0,0,0,0|2,0,2]=4 812 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,0,0,0,0,0|2,0,2]=4 813 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [0,0,0,0,0,0|4,0,0]=4 814 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,0,0,0,0,0|2,0,0]=2 815 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,0,0,0,0,0|3,0,0]=3 816 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,0,0,0,0,0|3,0,0]=3 817 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,0,0,0,0,0|3,0,0]=3 818 B13R0.54 CCCCCCCCCOCC(C)Br 34a_100012180447_100011214924 [0,0,0,0,0,0|3,0,1]=4 819 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210257_100011214924 [0,0,0,0,0,0|3,0,1]=4 820 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210712_100000210624 [0,0,0,0,0,0|3,0,1]=4 821 B13R0.54 CCCCCCCCCOCC(C)C 7a_100000210712_100000210760 [0,0,0,0,0,0|3,0,1]=4 822 B13R0.54 CCCCCCCCCOCC(C)F 34a_100015925927_100011214924 [0,0,0,0,0,0|3,0,1]=4 823 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,0,0,0,0,0|2,0,2]=4 824 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,0,0,0,0,0|2,0,2]=4 825 B13R0.54 CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011214924 [0,0,0,0,0,0|3,0,1]=4 826 B13R0.54 CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011214924 [0,0,0,0,0,0|3,0,1]=4 827 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,0,0,0,0,0|2,0,2]=4 828 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,0,0,0,0,0|2,0,2]=4 829 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,0,0,0,0,0|4,0,0]=4 830 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,0,0,0,0,0|3,0,0]=3 831 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,0,0,0,0,0|3,0,0]=3 832 B13R0.54 CCCCCCCCCSCC(C)C 62a_100000210624_100000210670 [0,0,0,0,0,0|3,0,1]=4 833 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,0,0,0,0,0|2,0,2]=4 834 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,0,0,0,0,0|2,0,2]=4 835 B13R0.54 CCCCCCCCNCC=C(C)C 2230a_100000229939_100000761012 [0,0,0,0,0,0|3,0,0]=3 836 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000229939_100000761012 [0,0,0,0,0,0|3,0,0]=3 837 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000718196_100000210759 [0,0,0,0,0,0|3,0,0]=3 838 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,0,0,0,0,0|3,0,0]=3 839 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,0,0,0,0,0|3,0,0]=3 840 B13R0.54 CCCCCCCCNCCC(C)C 2230a_100000229939_100000210312 [0,0,0,0,0,0|3,0,1]=4 841 B13R0.54 CCCCCCCCNCCC(C)C 269862a_100000229939_100000185833 [0,0,0,0,0,0|3,0,1]=4 842 B13R0.54 CCCCCCCCNCCC(C)C 34a_100000229939_100000210312 [0,0,0,0,0,0|3,0,1]=4 843 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,0,0,0,0,0|2,0,2]=4 844 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,0,0,0,0,0|2,0,2]=4 845 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,0,0,0,0,0|2,0,2]=4 846 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,0,0,0,0,0|1,0,0]=1 847 B13R0.54 CCCCCCCCNCOC(C)C 2230a_100000229939_100000709892 [0,0,0,0,0,0|2,0,1]=3 848 B13R0.54 CCCCCCCCNCOC(C)C 34a_100000229939_100000709892 [0,0,0,0,0,0|2,0,1]=3 849 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,0,0,0,0,0|4,0,0]=4 850 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000210232_100000761012 [0,0,0,0,0,0|3,0,0]=3 851 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000753907_100000210759 [0,0,0,0,0,0|3,0,0]=3 852 B13R0.54 CCCCCCCCOCC=C(C)C 7a_100000210232_100000761012 [0,0,0,0,0,0|3,0,0]=3 853 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,0,0,0,0,0|2,0,0]=2 854 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,0,0,0,0,0|2,0,0]=2 855 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,0,0,0,0,0|2,0,0]=2 856 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,0,0,0,0,0|3,0,0]=3 857 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,0,0,0,0,0|3,0,0]=3 858 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,0,0,0,0,0|3,0,0]=3 859 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,0,0,0,0,0|3,0,0]=3 860 B13R0.54 CCCCCCCCOCCC(C)Br 34a_100009893172_100000210759 [0,0,0,0,0,0|3,0,1]=4 861 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210232_100000210312 [0,0,0,0,0,0|3,0,1]=4 862 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210254_100000210759 [0,0,0,0,0,0|3,0,1]=4 863 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210232_100000210626 [0,0,0,0,0,0|3,0,1]=4 864 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210254_100000210759 [0,0,0,0,0,0|3,0,1]=4 865 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,0,0,0,0,0|2,0,2]=4 866 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,0,0,0,0,0|2,0,2]=4 867 B13R0.54 CCCCCCCCOCCN(C)C 7a_100000210232_100000755713 [0,0,0,0,0,0|4,0,0]=4 868 B13R0.54 CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210759 [0,0,0,0,0,0|3,0,1]=4 869 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,0,0,0,0,0|1,0,0]=1 870 B13R0.54 CCCCCCCCOCOC(C)C 34a_100000210232_100000709892 [0,0,0,0,0,0|2,0,1]=3 871 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000210759_100000761012 [0,0,0,0,0,0|3,0,0]=3 872 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000761012_100000210317 [0,0,0,0,0,0|3,0,0]=3 873 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,0,0,0,0,0|2,0,0]=2 874 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,0,0,0,0,0|2,0,0]=2 875 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,0,0,0,0,0|3,0,0]=3 876 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,0,0,0,0,0|3,0,0]=3 877 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210312_100000210317 [0,0,0,0,0,0|3,0,1]=4 878 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210759_100000210312 [0,0,0,0,0,0|3,0,1]=4 879 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,0,0,0,0,0|2,0,2]=4 880 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,0,0,0,0,0|2,0,2]=4 881 B13R0.54 CCCCCCCCSCCN(C)C 62a_100000210759_100000755713 [0,0,0,0,0,0|4,0,0]=4 882 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,0,0,0,0,0|1,0,0]=1 883 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,0,0,0,0,0|1,0,0]=1 884 B13R0.54 CCCCCCCCSCOC(C)C 62a_100000210759_100000709892 [0,0,0,0,0,0|2,0,1]=3 885 B13R0.54 CCCCCCCCSCOC(C)C 62a_100000709892_100000210317 [0,0,0,0,0,0|2,0,1]=3 886 B13R0.54 CCCCCCCNCCC=C(C)C 2230a_100000229938_100011217483 [0,0,0,0,0,0|3,0,0]=3 887 B13R0.54 CCCCCCCNCCC=C(F)F 2230a_100000229938_200009816681 [0,0,0,0,0,0|4,0,0]=4 888 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,0,0,0,0,0|3,0,0]=3 889 B13R0.54 CCCCCCCNCCCC(C)C 2230a_100000229938_100011214892 [0,0,0,0,0,0|3,0,1]=4 890 B13R0.54 CCCCCCCNCCCC(C)C 2230a_200000737386_100000210681 [0,0,0,0,0,0|3,0,1]=4 891 B13R0.54 CCCCCCCNCCCC(C)C 34a_200000737386_100000210614 [0,0,0,0,0,0|3,0,1]=4 892 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,0,0,0,0,0|2,0,2]=4 893 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,0,0,0,0,0|3,0,0]=3 894 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,0,0,0,0,0|2,0,0]=2 895 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,0,0,0,0,0|2,0,0]=2 896 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,0,0,0,0,0|3,0,0]=3 897 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,0,0,0,0,0|3,0,0]=3 898 B13R0.54 CCCCCCCNCCOC(C)C 2230a_100000229938_100000211751 [0,0,0,0,0,0|2,0,1]=3 899 B13R0.54 CCCCCCCNCCOC(C)C 2230a_100000701111_100000210681 [0,0,0,0,0,0|2,0,1]=3 900 B13R0.54 CCCCCCCNCCOC(C)C 34a_100000701111_100000210614 [0,0,0,0,0,0|2,0,1]=3 901 B13R0.54 CCCCCCCNCCSC(C)C 2230a_100000229938_100000730970 [0,0,0,0,0,0|2,1,1]=4 902 B13R0.54 CCCCCCCNCCSC(C)C 2230a_100000731138_100000210681 [0,0,0,0,0,0|2,1,1]=4 903 B13R0.54 CCCCCCCNCCSC(C)C 34a_100000731138_100000210614 [0,0,0,0,0,0|2,1,1]=4 904 B13R0.54 CCCCCCCOCCC=C(C)C 34a_100000210272_100011217483 [0,0,0,0,0,0|3,0,0]=3 905 B13R0.54 CCCCCCCOCCC=C(C)C 7a_100000210272_100011217483 [0,0,0,0,0,0|3,0,0]=3 906 B13R0.54 CCCCCCCOCCC=C(F)F 34a_100000210272_200009816681 [0,0,0,0,0,0|4,0,0]=4 907 B13R0.54 CCCCCCCOCCC=C(F)F 7a_100000210272_200009816681 [0,0,0,0,0,0|4,0,0]=4 908 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,0,0,0,0,0|2,0,0]=2 909 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,0,0,0,0,0|2,0,0]=2 910 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,0,0,0,0,0|2,0,0]=2 911 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,0,0,0,0,0|2,0,0]=2 912 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,0,0,0,0,0|3,0,0]=3 913 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,0,0,0,0,0|3,0,0]=3 914 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210272_100011214892 [0,0,0,0,0,0|3,0,1]=4 915 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210774_100000210614 [0,0,0,0,0,0|3,0,1]=4 916 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210272_100011214892 [0,0,0,0,0,0|3,0,1]=4 917 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210774_100000210614 [0,0,0,0,0,0|3,0,1]=4 918 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,0,0,0,0,0|2,0,2]=4 919 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,0,0,0,0,0|2,0,2]=4 920 B13R0.54 CCCCCCCOCCCN(C)C 7a_100000210272_100000757444 [0,0,0,0,0,0|4,0,0]=4 921 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [0,0,0,0,0,0|4,0,0]=4 922 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,0,0,0,0,0|2,0,0]=2 923 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,0,0,0,0,0|2,0,0]=2 924 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,0,0,0,0,0|3,0,0]=3 925 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,0,0,0,0,0|3,0,0]=3 926 B13R0.54 CCCCCCCOCCNC(C)C 34a_100000224655_100000210614 [0,0,0,0,0,0|3,0,1]=4 927 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,0,0,0,0,0|1,0,0]=1 928 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,0,0,0,0,0|1,0,0]=1 929 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,0,0,0,0,0|2,0,0]=2 930 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,0,0,0,0,0|2,0,0]=2 931 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,0,0,0,0,0|2,0,0]=2 932 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000210272_100000211751 [0,0,0,0,0,0|2,0,1]=3 933 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000211219_100000210614 [0,0,0,0,0,0|2,0,1]=3 934 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000210272_100000211751 [0,0,0,0,0,0|2,0,1]=3 935 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000211219_100000210614 [0,0,0,0,0,0|2,0,1]=3 936 B13R0.54 CCCCCCCOCCSC(C)C 34a_100000210272_100000730970 [0,0,0,0,0,0|2,1,1]=4 937 B13R0.54 CCCCCCCOCCSC(C)C 34a_200011212901_100000210614 [0,0,0,0,0,0|2,1,1]=4 938 B13R0.54 CCCCCCCOCCSC(C)C 7a_100000210272_100000730970 [0,0,0,0,0,0|2,1,1]=4 939 B13R0.54 CCCCCCCOCCSC(C)C 7a_200011212901_100000210614 [0,0,0,0,0,0|2,1,1]=4 940 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100000210614_100011217483 [0,0,0,0,0,0|3,0,0]=3 941 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100011217483_100000210316 [0,0,0,0,0,0|3,0,0]=3 942 B13R0.54 CCCCCCCSCCC=C(F)F 62a_100000210614_200009816681 [0,0,0,0,0,0|4,0,0]=4 943 B13R0.54 CCCCCCCSCCC=C(F)F 62a_200009816681_100000210316 [0,0,0,0,0,0|4,0,0]=4 944 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,0,0,0,0,0|2,0,0]=2 945 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,0,0,0,0,0|2,0,0]=2 946 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,0,0,0,0,0|3,0,0]=3 947 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,0,0,0,0,0|3,0,0]=3 948 B13R0.54 CCCCCCCSCCCC(C)C 62a_100000210614_100011214892 [0,0,0,0,0,0|3,0,1]=4 949 B13R0.54 CCCCCCCSCCCC(C)C 62a_100011214892_100000210316 [0,0,0,0,0,0|3,0,1]=4 950 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,0,0,0,0,0|2,0,2]=4 951 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,0,0,0,0,0|2,0,2]=4 952 B13R0.54 CCCCCCCSCCCN(C)C 62a_100000210614_100000757444 [0,0,0,0,0,0|4,0,0]=4 953 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,0,0,0,0,0|2,0,0]=2 954 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,0,0,0,0,0|2,0,0]=2 955 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,0,0,0,0,0|3,0,0]=3 956 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,0,0,0,0,0|3,0,0]=3 957 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,0,0,0,0,0|1,0,0]=1 958 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,0,0,0,0,0|1,0,0]=1 959 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,0,0,0,0,0|2,0,0]=2 960 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,0,0,0,0,0|2,0,0]=2 961 B13R0.54 CCCCCCCSCCOC(C)C 62a_100000210614_100000211751 [0,0,0,0,0,0|2,0,1]=3 962 B13R0.54 CCCCCCCSCCOC(C)C 62a_100000211751_100000210316 [0,0,0,0,0,0|2,0,1]=3 963 B13R0.54 CCCCCCCSCCSC(C)C 62a_100000210614_100000730970 [0,0,0,0,0,0|2,1,1]=4 964 B13R0.54 CCCCCCCSCCSC(C)C 62a_100000730970_100000210316 [0,0,0,0,0,0|2,1,1]=4 965 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,0,0,0,0,0|3,0,0]=3 966 B13R0.54 CCCCCCNCCCCC(C)C 2230a_100000210581_100011216152 [0,0,0,0,0,0|3,0,1]=4 967 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,0,0,0,0,0|2,0,0]=2 968 B13R0.54 CCCCCCNCCCOC(=S)C 2230a_100000210581_200135323944 [0,0,0,0,0,0|1,1,0]=2 969 B13R0.54 CCCCCCNCCCOC(C)C 2230a_100000737246_100000210314 [0,0,0,0,0,0|2,0,1]=3 970 B13R0.54 CCCCCCNCCCOC(C)C 34a_100000737246_100000210314 [0,0,0,0,0,0|2,0,1]=3 971 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,0,0,0,0,0|1,1,0]=2 972 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,0,0,0,0,0|4,0,0]=4 973 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,0,0,0,0,0|4,0,0]=4 974 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,0,0,0,0,0|2,0,0]=2 975 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,0,0,0,0,0|2,0,0]=2 976 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,0,0,0,0,0|3,0,0]=3 977 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,0,0,0,0,0|3,0,0]=3 978 B13R0.54 CCCCCCOCCCCC(C)C 34a_100000210259_100011216152 [0,0,0,0,0,0|3,0,1]=4 979 B13R0.54 CCCCCCOCCCCC(C)C 34a_100011214890_100000210314 [0,0,0,0,0,0|3,0,1]=4 980 B13R0.54 CCCCCCOCCCCC(C)C 7a_100000210259_100011216152 [0,0,0,0,0,0|3,0,1]=4 981 B13R0.54 CCCCCCOCCCCC(C)C 7a_100011214890_100000210314 [0,0,0,0,0,0|3,0,1]=4 982 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [0,0,0,0,0,0|4,0,0]=4 983 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [0,0,0,0,0,0|4,0,0]=4 984 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,0,0,0,0,0|2,0,0]=2 985 B13R0.54 CCCCCCOCCCNC(C)C 34a_100000182298_100000210314 [0,0,0,0,0,0|3,0,1]=4 986 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,0,0,0,0,0|1,0,0]=1 987 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,0,0,0,0,0|1,0,0]=1 988 B13R0.54 CCCCCCOCCCOC(=S)C 34a_100000210259_200135323944 [0,0,0,0,0,0|1,1,0]=2 989 B13R0.54 CCCCCCOCCCOC(=S)C 7a_100000210259_200135323944 [0,0,0,0,0,0|1,1,0]=2 990 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,0,0,0,0,0|1,1,0]=2 991 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,0,0,0,0,0|1,1,0]=2 992 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,0,0,0,0,0|4,0,0]=4 993 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,0,0,0,0,0|4,0,0]=4 994 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,0,0,0,0,0|4,0,0]=4 995 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,0,0,0,0,0|4,0,0]=4 996 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,0,0,0,0,0|4,0,0]=4 997 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,0,0,0,0,0|2,0,0]=2 998 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,0,0,0,0,0|2,0,0]=2 999 B13R0.54 CCCCCCSCCCCC(C)C 62a_100000210314_100011216152 [0,0,0,0,0,0|3,0,1]=4 1000 B13R0.54 CCCCCCSCCCCC(C)C 62a_100011216152_100000210757 [0,0,0,0,0,0|3,0,1]=4 1001 B13R0.54 CCCCCCSCCCCN(C)C 62a_100000210314_100000690147 [0,0,0,0,0,0|4,0,0]=4 1002 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,0,0,0,0,0|1,0,0]=1 1003 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,0,0,0,0,0|1,0,0]=1 1004 B13R0.54 CCCCCCSCCCOC(=S)C 62a_100000210314_200135323944 [0,0,0,0,0,0|1,1,0]=2 1005 B13R0.54 CCCCCCSCCCOC(=S)C 62a_200135323944_100000210757 [0,0,0,0,0,0|1,1,0]=2 1006 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,0,0,0,0,0|1,1,0]=2 1007 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,0,0,0,0,0|1,1,0]=2 1008 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,0,0,0,0,0|4,0,0]=4 1009 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,0,0,0,0,0|4,0,0]=4 1010 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,0,0,0,0,0|3,0,0]=3 1011 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100000209983_100000210682 [0,0,0,0,0,0|3,0,1]=4 1012 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100011290863_100000210326 [0,0,0,0,0,0|3,0,1]=4 1013 B13R0.54 CCCCCNCCCCCC(C)C 34a_100011290863_100000718602 [0,0,0,0,0,0|3,0,1]=4 1014 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,0,0,0,0,0|2,0,0]=2 1015 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,0,0,0,0,0|2,0,0]=2 1016 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,0,0,0,0,0|1,1,0]=2 1017 B13R0.54 CCCCCNCCOCC=C(C)C 34a_100000224656_100000761012 [0,0,0,0,0,0|4,0,0]=4 1018 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [0,0,0,0,0,0|4,0,0]=4 1019 B13R0.54 CCCCCNCCOCOC(=O)C 34a_100000224656_100009813279 [0,0,0,0,0,0|2,0,0]=2 1020 B13R0.54 CCCCCNCCOCOC(C)C 34a_100000224656_100000709892 [0,0,0,0,0,0|3,0,1]=4 1021 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,0,0,0,0,0|3,0,0]=3 1022 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,0,0,0,0,0|3,0,0]=3 1023 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,0,0,0,0,0|3,0,0]=3 1024 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,0,0,0,0,0|3,0,0]=3 1025 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,0,0,0,0,0|3,0,0]=3 1026 B13R0.54 CCCCCOCCCCCC(C)C 34a_100000210253_100000210682 [0,0,0,0,0,0|3,0,1]=4 1027 B13R0.54 CCCCCOCCCCCC(C)C 34a_100011995859_100000718602 [0,0,0,0,0,0|3,0,1]=4 1028 B13R0.54 CCCCCOCCCCCC(C)C 7a_100000210253_100000210682 [0,0,0,0,0,0|3,0,1]=4 1029 B13R0.54 CCCCCOCCCCCC(C)C 7a_100011995859_100000210326 [0,0,0,0,0,0|3,0,1]=4 1030 B13R0.54 CCCCCOCCCCNC(C)C 34a_100011521146_100000718602 [0,0,0,0,0,0|3,0,1]=4 1031 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,0,0,0,0,0|1,0,0]=1 1032 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,0,0,0,0,0|1,0,0]=1 1033 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,0,0,0,0,0|1,0,0]=1 1034 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,0,0,0,0,0|1,0,0]=1 1035 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 34a_100000210253_100015694321 [0,0,0,0,0,0|3,0,0]=3 1036 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 7a_100000210253_100015694321 [0,0,0,0,0,0|3,0,0]=3 1037 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,0,0,0,0,0|1,1,0]=2 1038 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,0,0,0,0,0|1,1,0]=2 1039 B13R0.54 CCCCCOCCOCC=C(C)C 34a_100011215259_100000761012 [0,0,0,0,0,0|4,0,0]=4 1040 B13R0.54 CCCCCOCCOCC=C(C)C 7a_100011215259_100000761012 [0,0,0,0,0,0|4,0,0]=4 1041 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,0,0,0,0,0|3,0,0]=3 1042 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [0,0,0,0,0,0|4,0,0]=4 1043 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [0,0,0,0,0,0|4,0,0]=4 1044 B13R0.54 CCCCCOCCOCOC(=O)C 34a_100011215259_100009813279 [0,0,0,0,0,0|2,0,0]=2 1045 B13R0.54 CCCCCOCCOCOC(C)C 34a_100011215259_100000709892 [0,0,0,0,0,0|3,0,1]=4 1046 B13R0.54 CCCCCOCOCCOC(=O)C 34a_100000210253_100000076355 [0,0,0,0,0,0|2,0,0]=2 1047 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,0,0,0,0,0|3,0,0]=3 1048 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,0,0,0,0,0|3,0,0]=3 1049 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210326_100000210682 [0,0,0,0,0,0|3,0,1]=4 1050 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210682_100000210326 [0,0,0,0,0,0|3,0,1]=4 1051 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,0,0,0,0,0|1,0,0]=1 1052 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,0,0,0,0,0|1,0,0]=1 1053 B13R0.54 CCCCCSCCCCO[N+](=O)[O-] 62a_100000210326_100015694321 [0,0,0,0,0,0|3,0,0]=3 1054 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,0,0,0,0,0|1,1,0]=2 1055 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,0,0,0,0,0|1,1,0]=2 1056 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000076355_100000210326 [0,0,0,0,0,0|2,0,0]=2 1057 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000210326_100000076355 [0,0,0,0,0,0|2,0,0]=2 1058 B13R0.54 CCCCNCCCCCCC(C)C 2230a_100000211014_100000210211 [0,0,0,0,0,0|3,0,1]=4 1059 B13R0.54 CCCCNCCCCCCC(C)C 34a_100000211014_100000210210 [0,0,0,0,0,0|3,0,1]=4 1060 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,0,0,0,0,0|2,0,0]=2 1061 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,0,0,0,0,0|2,0,0]=2 1062 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,0,0,0,0,0|1,0,0]=1 1063 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,0,0,0,0,0|1,0,0]=1 1064 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,0,0,0,0,0|4,0,0]=4 1065 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,0,0,0,0,0|4,0,0]=4 1066 B13R0.54 CCCCNCCOCCOC(=O)C 2230a_100000102301_200000083610 [0,0,0,0,0,0|2,0,0]=2 1067 B13R0.54 CCCCNCCOCCOC(=O)C 7a_106832991798_200000083610 [0,0,0,0,0,0|2,0,0]=2 1068 B13R0.54 CCCCOCCCCCNC(C)C 34a_100011629493_100000210210 [0,0,0,0,0,0|3,0,1]=4 1069 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,0,0,0,0,0|1,0,0]=1 1070 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,0,0,0,0,0|1,0,0]=1 1071 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,0,0,0,0,0|4,0,0]=4 1072 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,0,0,0,0,0|4,0,0]=4 1073 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,0,0,0,0,0|4,0,0]=4 1074 B13R0.54 CCCCOCCCNCC=C(C)C 2230a_200000211371_100000761012 [0,0,0,0,0,0|4,0,0]=4 1075 B13R0.54 CCCCOCCCNCC=C(C)C 34a_200000211371_100000761012 [0,0,0,0,0,0|4,0,0]=4 1076 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [0,0,0,0,0,0|4,0,0]=4 1077 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [0,0,0,0,0,0|4,0,0]=4 1078 B13R0.54 CCCCOCCCNCOC(=O)C 34a_200000211371_100009813279 [0,0,0,0,0,0|2,0,0]=2 1079 B13R0.54 CCCCOCCCNCOC(C)C 2230a_200000211371_100000709892 [0,0,0,0,0,0|3,0,1]=4 1080 B13R0.54 CCCCOCCCNCOC(C)C 34a_200000211371_100000709892 [0,0,0,0,0,0|3,0,1]=4 1081 B13R0.54 CCCCOCCCOCC=C(C)C 34a_200011215613_100000761012 [0,0,0,0,0,0|4,0,0]=4 1082 B13R0.54 CCCCOCCCOCC=C(C)C 7a_200011215613_100000761012 [0,0,0,0,0,0|4,0,0]=4 1083 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,0,0,0,0,0|3,0,0]=3 1084 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [0,0,0,0,0,0|4,0,0]=4 1085 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [0,0,0,0,0,0|4,0,0]=4 1086 B13R0.54 CCCCOCCCOCOC(=O)C 34a_200011215613_100009813279 [0,0,0,0,0,0|2,0,0]=2 1087 B13R0.54 CCCCOCCCOCOC(C)C 34a_200011215613_100000709892 [0,0,0,0,0,0|3,0,1]=4 1088 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [0,0,0,0,0,0|4,0,0]=4 1089 B13R0.54 CCCCOCCNCCCS(=O)C 2230a_200000753449_100000743108 [0,0,0,0,0,0|4,0,0]=4 1090 B13R0.54 CCCCOCCNCCNC(=O)C 2230a_100000209853_100000743108 [0,0,0,0,0,0|3,0,0]=3 1091 B13R0.54 CCCCOCCNCCNC(=O)N 34a_100020590234_100000743108 [0,0,0,0,0,0|4,0,0]=4 1092 B13R0.54 CCCCOCCNCCOC(C)C 2230a_100000701111_100000743108 [0,0,0,0,0,0|3,0,1]=4 1093 B13R0.54 CCCCOCCNCCOC(C)C 34a_100000701111_100000743108 [0,0,0,0,0,0|3,0,1]=4 1094 B13R0.54 CCCCOCCOCCC=C(C)C 34a_100000210238_100011217483 [0,0,0,0,0,0|4,0,0]=4 1095 B13R0.54 CCCCOCCOCCC=C(C)C 7a_100000210238_100011217483 [0,0,0,0,0,0|4,0,0]=4 1096 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,0,0,0,0,0|3,0,0]=3 1097 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,0,0,0,0,0|3,0,0]=3 1098 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,0,0,0,0,0|3,0,0]=3 1099 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,0,0,0,0,0|3,0,0]=3 1100 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [0,0,0,0,0,0|4,0,0]=4 1101 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [0,0,0,0,0,0|4,0,0]=4 1102 B13R0.54 CCCCOCCOCCNC(=O)C 34a_100000158858_100000743108 [0,0,0,0,0,0|3,0,0]=3 1103 B13R0.54 CCCCOCCOCCNC(=O)C 7a_100000210238_100000189650 [0,0,0,0,0,0|3,0,0]=3 1104 B13R0.54 CCCCOCCOCCNC(=O)N 34a_100000181757_100000743108 [0,0,0,0,0,0|4,0,0]=4 1105 B13R0.54 CCCCOCCOCCNC(=O)N 7a_100000210238_200000034859 [0,0,0,0,0,0|4,0,0]=4 1106 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210227_200000083610 [0,0,0,0,0,0|2,0,0]=2 1107 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210238_100009814007 [0,0,0,0,0,0|2,0,0]=2 1108 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210227_200000083610 [0,0,0,0,0,0|2,0,0]=2 1109 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210238_100009814007 [0,0,0,0,0,0|2,0,0]=2 1110 B13R0.54 CCCCOCCOCCOC(=O)N 34a_100000210238_200011214921 [0,0,0,0,0,0|3,0,0]=3 1111 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000210238_200011214921 [0,0,0,0,0,0|3,0,0]=3 1112 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000766696_100000743108 [0,0,0,0,0,0|3,0,0]=3 1113 B13R0.54 CCCCOCCOCCOC(C)C 34a_100000210238_100000211751 [0,0,0,0,0,0|3,0,1]=4 1114 B13R0.54 CCCCOCCOCCOC(C)C 34a_100000211219_100000743108 [0,0,0,0,0,0|3,0,1]=4 1115 B13R0.54 CCCCOCCOCCOC(C)C 34a_100011215186_100000210206 [0,0,0,0,0,0|3,0,1]=4 1116 B13R0.54 CCCCOCCOCCOC(C)C 7a_100000210238_100000211751 [0,0,0,0,0,0|3,0,1]=4 1117 B13R0.54 CCCCOCCOCCOC(C)C 7a_100000211219_100000743108 [0,0,0,0,0,0|3,0,1]=4 1118 B13R0.54 CCCCOCCOCCOC(C)C 7a_100011215186_100000210206 [0,0,0,0,0,0|3,0,1]=4 1119 B13R0.54 CCCCOCCSCCC=C(C)C 62a_100000743108_100011217483 [0,0,0,0,0,0|4,0,0]=4 1120 B13R0.54 CCCCOCCSCCC=C(C)C 62a_100011217483_100000743108 [0,0,0,0,0,0|4,0,0]=4 1121 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [0,0,0,0,0,0|3,0,0]=3 1122 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [0,0,0,0,0,0|3,0,0]=3 1123 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [0,0,0,0,0,0|4,0,0]=4 1124 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [0,0,0,0,0,0|4,0,0]=4 1125 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000189650_100000743108 [0,0,0,0,0,0|3,0,0]=3 1126 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000743108_100000189650 [0,0,0,0,0,0|3,0,0]=3 1127 B13R0.54 CCCCOCCSCCNC(=O)N 62a_100000743108_200000034859 [0,0,0,0,0,0|4,0,0]=4 1128 B13R0.54 CCCCOCCSCCNC(=O)N 62a_200000034859_100000743108 [0,0,0,0,0,0|4,0,0]=4 1129 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100000743108_100009814007 [0,0,0,0,0,0|2,0,0]=2 1130 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100009814007_100000743108 [0,0,0,0,0,0|2,0,0]=2 1131 B13R0.54 CCCCOCCSCCOC(=O)N 62a_100000743108_200011214921 [0,0,0,0,0,0|3,0,0]=3 1132 B13R0.54 CCCCOCCSCCOC(=O)N 62a_200011214921_100000743108 [0,0,0,0,0,0|3,0,0]=3 1133 B13R0.54 CCCCOCCSCCOC(C)C 62a_100000211751_100000743108 [0,0,0,0,0,0|3,0,1]=4 1134 B13R0.54 CCCCOCCSCCOC(C)C 62a_100000743108_100000211751 [0,0,0,0,0,0|3,0,1]=4 1135 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [0,0,0,0,0,0|4,0,0]=4 1136 B13R0.54 CCCCOCNCCCNC(=O)C 34a_100000736810_100011995733 [0,0,0,0,0,0|3,0,0]=3 1137 B13R0.54 CCCCOCNCCCOC(C)C 2230a_100000737246_100011995733 [0,0,0,0,0,0|3,0,1]=4 1138 B13R0.54 CCCCOCNCCCOC(C)C 34a_100000737246_100011995733 [0,0,0,0,0,0|3,0,1]=4 1139 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [0,0,0,0,0,0|4,0,0]=4 1140 B13R0.54 CCCCOCOCCCNC(=O)C 34a_100000752032_100011995733 [0,0,0,0,0,0|3,0,0]=3 1141 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [0,0,0,0,0,0|3,0,0]=3 1142 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [0,0,0,0,0,0|3,0,0]=3 1143 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100000042594_100011995733 [0,0,0,0,0,0|2,0,0]=2 1144 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100011995733_100000042594 [0,0,0,0,0,0|2,0,0]=2 1145 B13R0.54 CCCCOCSCCCOC(=S)C 62a_100011995733_200135323944 [0,0,0,0,0,0|2,1,0]=3 1146 B13R0.54 CCCCOCSCCCOC(=S)C 62a_200135323944_100011995733 [0,0,0,0,0,0|2,1,0]=3 1147 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100000038929_100011995733 [0,0,0,0,0,0|2,1,0]=3 1148 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100011995733_100000038929 [0,0,0,0,0,0|2,1,0]=3 1149 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,0,0,0,0,0|1,0,0]=1 1150 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,0,0,0,0,0|1,0,0]=1 1151 B13R0.54 CCCCSCCNCCC=C(C)C 2230a_100025743550_100011217483 [0,0,0,0,0,0|4,0,0]=4 1152 B13R0.54 CCCCSCCNCCNC(=O)C 2230a_100025743550_100000189650 [0,0,0,0,0,0|3,0,0]=3 1153 B13R0.54 CCCCSCCNCCNC(=O)N 2230a_100025743550_200000034859 [0,0,0,0,0,0|4,0,0]=4 1154 B13R0.54 CCCCSCCNCCOC(C)C 2230a_100025743550_100000211751 [0,0,0,0,0,0|3,0,1]=4 1155 B13R0.54 CCCCSCCOCCC=C(C)C 34a_200000230436_100011217483 [0,0,0,0,0,0|4,0,0]=4 1156 B13R0.54 CCCCSCCOCCC=C(C)C 7a_200000230436_100011217483 [0,0,0,0,0,0|4,0,0]=4 1157 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [0,0,0,0,0,0|3,0,0]=3 1158 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [0,0,0,0,0,0|3,0,0]=3 1159 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [0,0,0,0,0,0|4,0,0]=4 1160 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [0,0,0,0,0,0|4,0,0]=4 1161 B13R0.54 CCCCSCCOCCNC(=O)C 7a_200000230436_100000189650 [0,0,0,0,0,0|3,0,0]=3 1162 B13R0.54 CCCCSCCOCCNC(=O)N 7a_200000230436_200000034859 [0,0,0,0,0,0|4,0,0]=4 1163 B13R0.54 CCCCSCCOCCOC(=O)C 34a_200000230436_100009814007 [0,0,0,0,0,0|2,0,0]=2 1164 B13R0.54 CCCCSCCOCCOC(=O)C 62a_100000210211_200000083610 [0,0,0,0,0,0|2,0,0]=2 1165 B13R0.54 CCCCSCCOCCOC(=O)C 62a_200000083610_100000210210 [0,0,0,0,0,0|2,0,0]=2 1166 B13R0.54 CCCCSCCOCCOC(=O)C 7a_200000230436_100009814007 [0,0,0,0,0,0|2,0,0]=2 1167 B13R0.54 CCCCSCCOCCOC(=O)N 34a_200000230436_200011214921 [0,0,0,0,0,0|3,0,0]=3 1168 B13R0.54 CCCCSCCOCCOC(=O)N 7a_200000230436_200011214921 [0,0,0,0,0,0|3,0,0]=3 1169 B13R0.54 CCCCSCCOCCOC(C)C 34a_200000230436_100000211751 [0,0,0,0,0,0|3,0,1]=4 1170 B13R0.54 CCCCSCCOCCOC(C)C 7a_200000230436_100000211751 [0,0,0,0,0,0|3,0,1]=4 1171 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,0,0,0,0,0|2,0,0]=2 1172 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,0,0,0,0,0|2,0,0]=2 1173 B13R0.54 CCCOCCCCCCCC(C)C 34a_200000210741_100000210303 [0,0,0,0,0,0|3,0,1]=4 1174 B13R0.54 CCCOCCCCCCCC(C)C 7a_200000210741_100000210303 [0,0,0,0,0,0|3,0,1]=4 1175 B13R0.54 CCCOCCCNCCC=C(C)C 2230a_100011217757_100011217483 [0,0,0,0,0,0|4,0,0]=4 1176 B13R0.54 CCCOCCCNCCC=C(C)C 34a_100011217757_100011217483 [0,0,0,0,0,0|4,0,0]=4 1177 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [0,0,0,0,0,0|3,0,0]=3 1178 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [0,0,0,0,0,0|4,0,0]=4 1179 B13R0.54 CCCOCCCNCCNC(=O)C 2230a_100011217757_100000189650 [0,0,0,0,0,0|3,0,0]=3 1180 B13R0.54 CCCOCCCNCCNC(=O)N 2230a_100011217757_200000034859 [0,0,0,0,0,0|4,0,0]=4 1181 B13R0.54 CCCOCCCNCCOC(=O)C 34a_100011217757_100009814007 [0,0,0,0,0,0|2,0,0]=2 1182 B13R0.54 CCCOCCCNCCOC(=O)N 34a_100011217757_200011214921 [0,0,0,0,0,0|3,0,0]=3 1183 B13R0.54 CCCOCCCNCCOC(C)C 2230a_100011217757_100000211751 [0,0,0,0,0,0|3,0,1]=4 1184 B13R0.54 CCCOCCCNCCOC(C)C 34a_100011217757_100000211751 [0,0,0,0,0,0|3,0,1]=4 1185 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [0,0,0,0,0,0|3,0,0]=3 1186 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [0,0,0,0,0,0|4,0,0]=4 1187 B13R0.54 CCCOCCNCCCNC(=O)C 34a_100000736810_100011215938 [0,0,0,0,0,0|3,0,0]=3 1188 B13R0.54 CCCOCCNCCCOC(=O)C 34a_100161115042_100000042594 [0,0,0,0,0,0|2,0,0]=2 1189 B13R0.54 CCCOCCNCCCOC(=S)C 2230a_100161115042_200135323944 [0,0,0,0,0,0|2,1,0]=3 1190 B13R0.54 CCCOCCNCCCOC(=S)C 34a_100161115042_200135323944 [0,0,0,0,0,0|2,1,0]=3 1191 B13R0.54 CCCOCCNCCCOC(C)C 2230a_100000737246_100011215938 [0,0,0,0,0,0|3,0,1]=4 1192 B13R0.54 CCCOCCNCCCOC(C)C 34a_100000737246_100011215938 [0,0,0,0,0,0|3,0,1]=4 1193 B13R0.54 CCCOCCNCCCSC(=O)C 2230a_100161115042_100000038929 [0,0,0,0,0,0|2,1,0]=3 1194 B13R0.54 CCCOCCNCCCSC(=O)C 34a_100161115042_100000038929 [0,0,0,0,0,0|2,1,0]=3 1195 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [0,0,0,0,0,0|3,0,0]=3 1196 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [0,0,0,0,0,0|3,0,0]=3 1197 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [0,0,0,0,0,0|4,0,0]=4 1198 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [0,0,0,0,0,0|4,0,0]=4 1199 B13R0.54 CCCOCCOCCCNC(=O)C 34a_100000752032_100011215938 [0,0,0,0,0,0|3,0,0]=3 1200 B13R0.54 CCCOCCOCCCOC(=O)C 34a_100000752267_100000042594 [0,0,0,0,0,0|2,0,0]=2 1201 B13R0.54 CCCOCCOCCCOC(=O)C 7a_100000752267_100000042594 [0,0,0,0,0,0|2,0,0]=2 1202 B13R0.54 CCCOCCOCCCOC(=S)C 34a_100000752267_200135323944 [0,0,0,0,0,0|2,1,0]=3 1203 B13R0.54 CCCOCCOCCCOC(=S)C 7a_100000752267_200135323944 [0,0,0,0,0,0|2,1,0]=3 1204 B13R0.54 CCCOCCOCCCSC(=O)C 34a_100000752267_100000038929 [0,0,0,0,0,0|2,1,0]=3 1205 B13R0.54 CCCOCCOCCCSC(=O)C 7a_100000752267_100000038929 [0,0,0,0,0,0|2,1,0]=3 1206 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [0,0,0,0,0,0|3,0,0]=3 1207 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [0,0,0,0,0,0|3,0,0]=3 1208 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100000042594_100011215938 [0,0,0,0,0,0|2,0,0]=2 1209 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100011215938_100000042594 [0,0,0,0,0,0|2,0,0]=2 1210 B13R0.54 CCCOCCSCCCOC(=S)C 62a_100011215938_200135323944 [0,0,0,0,0,0|2,1,0]=3 1211 B13R0.54 CCCOCCSCCCOC(=S)C 62a_200135323944_100011215938 [0,0,0,0,0,0|2,1,0]=3 1212 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100000038929_100011215938 [0,0,0,0,0,0|2,1,0]=3 1213 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100011215938_100000038929 [0,0,0,0,0,0|2,1,0]=3 1214 B13R0.54 CCCSCCNCCCOC(=S)C 2230a_100020603323_200135323944 [0,0,0,0,0,0|2,1,0]=3 1215 B13R0.54 CCCSCCNCCCSC(=O)C 2230a_100020603323_100000038929 [0,0,0,0,0,0|2,1,0]=3 1216 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [0,0,0,0,0,0|3,0,0]=3 1217 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [0,0,0,0,0,0|3,0,0]=3 1218 B13R0.54 CCCSCCOCCCOC(=O)C 34a_200000230433_100000042594 [0,0,0,0,0,0|2,0,0]=2 1219 B13R0.54 CCCSCCOCCCOC(=O)C 7a_200000230433_100000042594 [0,0,0,0,0,0|2,0,0]=2 1220 B13R0.54 CCCSCCOCCCOC(=S)C 34a_200000230433_200135323944 [0,0,0,0,0,0|2,1,0]=3 1221 B13R0.54 CCCSCCOCCCOC(=S)C 7a_200000230433_200135323944 [0,0,0,0,0,0|2,1,0]=3 1222 B13R0.54 CCCSCCOCCCSC(=O)C 34a_200000230433_100000038929 [0,0,0,0,0,0|2,1,0]=3 1223 B13R0.54 CCCSCCOCCCSC(=O)C 7a_200000230433_100000038929 [0,0,0,0,0,0|2,1,0]=3 1224 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [0,0,0,0,0,0|3,0,0]=3 1225 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [0,0,0,0,0,0|4,0,0]=4 1226 B13R0.54 CCOCCCNCCCNC(=O)C 34a_100000736810_100012232248 [0,0,0,0,0,0|3,0,0]=3 1227 B13R0.54 CCOCCCNCCCOC(=O)C 34a_100000210961_100000042594 [0,0,0,0,0,0|2,0,0]=2 1228 B13R0.54 CCOCCCNCCCOC(=S)C 2230a_100000210961_200135323944 [0,0,0,0,0,0|2,1,0]=3 1229 B13R0.54 CCOCCCNCCCOC(=S)C 34a_100000210961_200135323944 [0,0,0,0,0,0|2,1,0]=3 1230 B13R0.54 CCOCCCNCCCOC(C)C 2230a_100000737246_100012232248 [0,0,0,0,0,0|3,0,1]=4 1231 B13R0.54 CCOCCCNCCCOC(C)C 34a_100000737246_100012232248 [0,0,0,0,0,0|3,0,1]=4 1232 B13R0.54 CCOCCCNCCCSC(=O)C 2230a_100000210961_100000038929 [0,0,0,0,0,0|2,1,0]=3 1233 B13R0.54 CCOCCCNCCCSC(=O)C 34a_100000210961_100000038929 [0,0,0,0,0,0|2,1,0]=3 1234 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [0,0,0,0,0,0|3,0,0]=3 1235 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [0,0,0,0,0,0|3,0,0]=3 1236 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [0,0,0,0,0,0|4,0,0]=4 1237 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [0,0,0,0,0,0|4,0,0]=4 1238 B13R0.54 CCOCCCOCCCNC(=O)C 34a_100000752032_100012232248 [0,0,0,0,0,0|3,0,0]=3 1239 B13R0.54 CCOCCCOCCCOC(=O)C 34a_100000757476_100000042594 [0,0,0,0,0,0|2,0,0]=2 1240 B13R0.54 CCOCCCOCCCOC(=O)C 7a_100000757476_100000042594 [0,0,0,0,0,0|2,0,0]=2 1241 B13R0.54 CCOCCCOCCCOC(=S)C 34a_100000757476_200135323944 [0,0,0,0,0,0|2,1,0]=3 1242 B13R0.54 CCOCCCOCCCOC(=S)C 7a_100000757476_200135323944 [0,0,0,0,0,0|2,1,0]=3 1243 B13R0.54 CCOCCCOCCCSC(=O)C 34a_100000757476_100000038929 [0,0,0,0,0,0|2,1,0]=3 1244 B13R0.54 CCOCCCOCCCSC(=O)C 7a_100000757476_100000038929 [0,0,0,0,0,0|2,1,0]=3 1245 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [0,0,0,0,0,0|3,0,0]=3 1246 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [0,0,0,0,0,0|3,0,0]=3 1247 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100000042594_100012232248 [0,0,0,0,0,0|2,0,0]=2 1248 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100012232248_100000042594 [0,0,0,0,0,0|2,0,0]=2 1249 B13R0.54 CCOCCCSCCCOC(=S)C 62a_100012232248_200135323944 [0,0,0,0,0,0|2,1,0]=3 1250 B13R0.54 CCOCCCSCCCOC(=S)C 62a_200135323944_100012232248 [0,0,0,0,0,0|2,1,0]=3 1251 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100000038929_100012232248 [0,0,0,0,0,0|2,1,0]=3 1252 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100012232248_100000038929 [0,0,0,0,0,0|2,1,0]=3 1253 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [0,0,0,0,0,0|4,0,0]=4 1254 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [0,0,0,0,0,0|4,0,0]=4 1255 B13R0.54 CCOCCNCCCCNC(=O)C 2230a_200011368371_100011215890 [0,0,0,0,0,0|3,0,0]=3 1256 B13R0.54 CCOCCNCCCCNC(=O)C 34a_200011368371_100000210147 [0,0,0,0,0,0|3,0,0]=3 1257 B13R0.54 CCOCCNCCCCOC(=O)C 34a_102516460346_100000033659 [0,0,0,0,0,0|2,0,0]=2 1258 B13R0.54 CCOCCNCCCCO[N+](=O)[O-] 34a_102516460346_100015694321 [0,0,0,0,0,0|4,0,0]=4 1259 B13R0.54 CCOCCNCCCCSC(=O)C 2230a_102516460346_200010402107 [0,0,0,0,0,0|2,1,0]=3 1260 B13R0.54 CCOCCNCCCCSC(=O)C 34a_102516460346_200010402107 [0,0,0,0,0,0|2,1,0]=3 1261 B13R0.54 CCOCCNCOCCOC(=O)C 34a_102516460346_100000076355 [0,0,0,0,0,0|3,0,0]=3 1262 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [0,0,0,0,0,0|4,0,0]=4 1263 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [0,0,0,0,0,0|4,0,0]=4 1264 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [0,0,0,0,0,0|4,0,0]=4 1265 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [0,0,0,0,0,0|4,0,0]=4 1266 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [0,0,0,0,0,0|4,0,0]=4 1267 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000073216_100000210147 [0,0,0,0,0,0|2,0,0]=2 1268 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000210136_100000033659 [0,0,0,0,0,0|2,0,0]=2 1269 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000073216_100011215890 [0,0,0,0,0,0|2,0,0]=2 1270 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000210136_100000033659 [0,0,0,0,0,0|2,0,0]=2 1271 B13R0.54 CCOCCOCCCCO[N+](=O)[O-] 34a_100000210136_100015694321 [0,0,0,0,0,0|4,0,0]=4 1272 B13R0.54 CCOCCOCCCCO[N+](=O)[O-] 7a_100000210136_100015694321 [0,0,0,0,0,0|4,0,0]=4 1273 B13R0.54 CCOCCOCCCCSC(=O)C 34a_100000210136_200010402107 [0,0,0,0,0,0|2,1,0]=3 1274 B13R0.54 CCOCCOCCCCSC(=O)C 7a_100000210136_200010402107 [0,0,0,0,0,0|2,1,0]=3 1275 B13R0.54 CCOCCOCCNCOC(=O)C 34a_100102712874_100009813279 [0,0,0,0,0,0|3,0,0]=3 1276 B13R0.54 CCOCCOCCOCCC(=O)C 34a_100000759926_100011211534 [0,0,0,0,0,0|4,0,0]=4 1277 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000210240_100000053229 [0,0,0,0,0,0|4,0,0]=4 1278 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000759926_100011211534 [0,0,0,0,0,0|4,0,0]=4 1279 B13R0.54 CCOCCOCCOCOC(=O)C 34a_100000210240_100009813279 [0,0,0,0,0,0|3,0,0]=3 1280 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100000053229_100011211534 [0,0,0,0,0,0|4,0,0]=4 1281 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100011211534_100000053229 [0,0,0,0,0,0|4,0,0]=4 1282 B13R0.54 CCOCCOCCSCOC(=O)C 62a_100000076356_100011211534 [0,0,0,0,0,0|3,0,0]=3 1283 B13R0.54 CCOCCOCCSCOC(=O)C 62a_100011211534_100000076356 [0,0,0,0,0,0|3,0,0]=3 1284 B13R0.54 CCOCCOCOCCOC(=O)C 34a_100000210136_100000076355 [0,0,0,0,0,0|3,0,0]=3 1285 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [0,0,0,0,0,0|4,0,0]=4 1286 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [0,0,0,0,0,0|4,0,0]=4 1287 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000033659_100011215890 [0,0,0,0,0,0|2,0,0]=2 1288 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000210147_100000033659 [0,0,0,0,0,0|2,0,0]=2 1289 B13R0.54 CCOCCSCCCCO[N+](=O)[O-] 62a_100000210147_100015694321 [0,0,0,0,0,0|4,0,0]=4 1290 B13R0.54 CCOCCSCCCCSC(=O)C 62a_100000210147_200010402107 [0,0,0,0,0,0|2,1,0]=3 1291 B13R0.54 CCOCCSCCCCSC(=O)C 62a_200010402107_100011215890 [0,0,0,0,0,0|2,1,0]=3 1292 B13R0.54 CCOCCSCOCCOC(=O)C 62a_100000076355_100011215890 [0,0,0,0,0,0|3,0,0]=3 1293 B13R0.54 CCOCCSCOCCOC(=O)C 62a_100000210147_100000076355 [0,0,0,0,0,0|3,0,0]=3 1294 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000033007_100000739092 [0,0,0,0,0,0|2,0,0]=2 1295 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000739092_100000033007 [0,0,0,0,0,0|2,0,0]=2 1296 B13R0.54 CCOCSCCOCCOC(=O)C 62a_100000739092_200000083610 [0,0,0,0,0,0|3,0,0]=3 1297 B13R0.54 CCOCSCCOCCOC(=O)C 62a_200000083610_100000739092 [0,0,0,0,0,0|3,0,0]=3 1298 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [0,0,0,0,0,0|3,0,0]=3 1299 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [0,0,0,0,0,0|3,0,0]=3 1300 B13R0.54 CCSCCCOCCCOC(=O)C 34a_100011216438_100000042594 [0,0,0,0,0,0|2,0,0]=2 1301 B13R0.54 CCSCCCOCCCOC(=O)C 7a_100011216438_100000042594 [0,0,0,0,0,0|2,0,0]=2 1302 B13R0.54 CCSCCCOCCCOC(=S)C 34a_100011216438_200135323944 [0,0,0,0,0,0|2,1,0]=3 1303 B13R0.54 CCSCCCOCCCOC(=S)C 7a_100011216438_200135323944 [0,0,0,0,0,0|2,1,0]=3 1304 B13R0.54 CCSCCCOCCCSC(=O)C 34a_100011216438_100000038929 [0,0,0,0,0,0|2,1,0]=3 1305 B13R0.54 CCSCCCOCCCSC(=O)C 7a_100011216438_100000038929 [0,0,0,0,0,0|2,1,0]=3 1306 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [0,0,0,0,0,0|4,0,0]=4 1307 B13R0.54 CCSCCNCCCCNC(=O)C 2230a_200011368371_100000757381 [0,0,0,0,0,0|3,0,0]=3 1308 B13R0.54 CCSCCNCCCCNC(=O)C 34a_200011368371_100000757381 [0,0,0,0,0,0|3,0,0]=3 1309 B13R0.54 CCSCCNCCCCSC(=O)C 2230a_100000106463_200010402107 [0,0,0,0,0,0|2,1,0]=3 1310 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [0,0,0,0,0,0|4,0,0]=4 1311 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [0,0,0,0,0,0|4,0,0]=4 1312 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [0,0,0,0,0,0|4,0,0]=4 1313 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [0,0,0,0,0,0|4,0,0]=4 1314 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [0,0,0,0,0,0|4,0,0]=4 1315 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000073216_100000757381 [0,0,0,0,0,0|2,0,0]=2 1316 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000212035_100000033659 [0,0,0,0,0,0|2,0,0]=2 1317 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000073216_100000757381 [0,0,0,0,0,0|2,0,0]=2 1318 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000212035_100000033659 [0,0,0,0,0,0|2,0,0]=2 1319 B13R0.54 CCSCCOCCCCO[N+](=O)[O-] 34a_100000212035_100015694321 [0,0,0,0,0,0|4,0,0]=4 1320 B13R0.54 CCSCCOCCCCO[N+](=O)[O-] 7a_100000212035_100015694321 [0,0,0,0,0,0|4,0,0]=4 1321 B13R0.54 CCSCCOCCCCSC(=O)C 34a_100000212035_200010402107 [0,0,0,0,0,0|2,1,0]=3 1322 B13R0.54 CCSCCOCCCCSC(=O)C 7a_100000212035_200010402107 [0,0,0,0,0,0|2,1,0]=3 1323 B13R0.54 CCSCCOCOCCOC(=O)C 34a_100000212035_100000076355 [0,0,0,0,0,0|3,0,0]=3 1324 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [0,0,0,0,0,0|4,0,0]=4 1325 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [0,0,0,0,0,0|4,0,0]=4 1326 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000033659_100000757381 [0,0,0,0,0,0|2,0,0]=2 1327 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000757381_100000033659 [0,0,0,0,0,0|2,0,0]=2 1328 B13R0.54 CCSCCSCCCCO[N+](=O)[O-] 62a_100000757381_100015694321 [0,0,0,0,0,0|4,0,0]=4 1329 B13R0.54 CCSCCSCCCCSC(=O)C 62a_100000757381_200010402107 [0,0,0,0,0,0|2,1,0]=3 1330 B13R0.54 CCSCCSCCCCSC(=O)C 62a_200010402107_100000757381 [0,0,0,0,0,0|2,1,0]=3 1331 B13R0.54 CCSCCSCOCCOC(=O)C 62a_100000076355_100000757381 [0,0,0,0,0,0|3,0,0]=3 1332 B13R0.54 CCSCCSCOCCOC(=O)C 62a_100000757381_100000076355 [0,0,0,0,0,0|3,0,0]=3 1333 B13R0.54 CN(C)CCCCCCCCCCO 2230a_100102631434_100009813290 [0,0,0,0,0,0|4,0,0]=4 1334 B13R0.54 CN(C)CCCCCCCCCCO 269982a_100102631434_100009813290 [0,0,0,0,0,0|4,0,0]=4 1335 B13R0.54 CNCCCCCOCCC=C(C)C 34a_100000722520_100011217483 [0,0,0,0,0,0|4,0,0]=4 1336 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,0,0,0,0,0|3,0,0]=3 1337 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,0,0,0,0,0|4,0,0]=4 1338 B13R0.54 CNCCCCCOCCOC(=O)C 34a_100000722520_100009814007 [0,0,0,0,0,0|2,0,0]=2 1339 B13R0.54 CNCCCCCOCCOC(=O)N 34a_100000722520_200011214921 [0,0,0,0,0,0|3,0,0]=3 1340 B13R0.54 CNCCCCCOCCOC(C)C 34a_100000722520_100000211751 [0,0,0,0,0,0|3,0,1]=4 1341 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,0,0,0,0,0|4,0,0]=4 1342 B13R0.54 CNCCCOCCCCOC(=O)C 34a_100000213112_100000033659 [0,0,0,0,0,0|2,0,0]=2 1343 B13R0.54 CNCCCOCCCCO[N+](=O)[O-] 34a_100000213112_100015694321 [0,0,0,0,0,0|4,0,0]=4 1344 B13R0.54 CNCCCOCCCCSC(=O)C 34a_100000213112_200010402107 [0,0,0,0,0,0|2,1,0]=3 1345 B13R0.54 CNCCCOCOCCOC(=O)C 34a_100000213112_100000076355 [0,0,0,0,0,0|3,0,0]=3 1346 B13R0.54 CNCCOCCOCCCC(=O)C 34a_100000228057_100000685027 [0,0,0,0,0,0|4,0,0]=4 1347 B13R0.54 CNCCOCCOCCOC(=O)C 34a_100000228057_100009814007 [0,0,0,0,0,0|3,0,0]=3 1348 B13R0.54 CNCCOCCOCCOC(=O)N 34a_100000228057_200011214921 [0,0,0,0,0,0|4,0,0]=4 1349 B13R0.54 COCCCCCCNCC=C(C)C 34a_100000718196_100011998445 [0,0,0,0,0,0|4,0,0]=4 1350 B13R0.54 COCCCCCCOCC=C(C)C 34a_100000753907_100011998445 [0,0,0,0,0,0|4,0,0]=4 1351 B13R0.54 COCCCCCCOCC=C(C)C 34a_200012092642_100000761012 [0,0,0,0,0,0|4,0,0]=4 1352 B13R0.54 COCCCCCCOCC=C(C)C 7a_200012092642_100000761012 [0,0,0,0,0,0|4,0,0]=4 1353 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,0,0,0,0,0|3,0,0]=3 1354 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,0,0,0,0,0|3,0,0]=3 1355 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,0,0,0,0,0|3,0,0]=3 1356 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,0,0,0,0,0|4,0,0]=4 1357 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,0,0,0,0,0|4,0,0]=4 1358 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,0,0,0,0,0|4,0,0]=4 1359 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,0,0,0,0,0|4,0,0]=4 1360 B13R0.54 COCCCCCCOCOC(=O)C 34a_200012092642_100009813279 [0,0,0,0,0,0|2,0,0]=2 1361 B13R0.54 COCCCCCCOCOC(C)C 34a_200012092642_100000709892 [0,0,0,0,0,0|3,0,1]=4 1362 B13R0.54 COCCCCCCSCC=C(C)C 62a_100000761012_100011998445 [0,0,0,0,0,0|4,0,0]=4 1363 B13R0.54 COCCCCCCSCC=C(C)C 62a_100011998445_100000761012 [0,0,0,0,0,0|4,0,0]=4 1364 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,0,0,0,0,0|3,0,0]=3 1365 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,0,0,0,0,0|3,0,0]=3 1366 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,0,0,0,0,0|4,0,0]=4 1367 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,0,0,0,0,0|4,0,0]=4 1368 B13R0.54 COCCCCCCSCOC(=O)C 62a_100000076356_100011998445 [0,0,0,0,0,0|2,0,0]=2 1369 B13R0.54 COCCCCCCSCOC(=O)C 62a_100011998445_100000076356 [0,0,0,0,0,0|2,0,0]=2 1370 B13R0.54 COCCCCCCSCOC(C)C 62a_100000709892_100011998445 [0,0,0,0,0,0|3,0,1]=4 1371 B13R0.54 COCCCCCCSCOC(C)C 62a_100011998445_100000709892 [0,0,0,0,0,0|3,0,1]=4 1372 B13R0.54 COCCCCCNCCC=C(C)C 2230a_100000747528_100011217483 [0,0,0,0,0,0|4,0,0]=4 1373 B13R0.54 COCCCCCNCCC=C(C)C 34a_100000747528_100011217483 [0,0,0,0,0,0|4,0,0]=4 1374 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,0,0,0,0,0|3,0,0]=3 1375 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,0,0,0,0,0|4,0,0]=4 1376 B13R0.54 COCCCCCNCCNC(=O)C 2230a_100000747528_100000189650 [0,0,0,0,0,0|3,0,0]=3 1377 B13R0.54 COCCCCCNCCNC(=O)N 2230a_100000747528_200000034859 [0,0,0,0,0,0|4,0,0]=4 1378 B13R0.54 COCCCCCNCCOC(=O)C 34a_100000747528_100009814007 [0,0,0,0,0,0|2,0,0]=2 1379 B13R0.54 COCCCCCNCCOC(=O)N 34a_100000747528_200011214921 [0,0,0,0,0,0|3,0,0]=3 1380 B13R0.54 COCCCCCNCCOC(C)C 2230a_100000747528_100000211751 [0,0,0,0,0,0|3,0,1]=4 1381 B13R0.54 COCCCCCNCCOC(C)C 34a_100000747528_100000211751 [0,0,0,0,0,0|3,0,1]=4 1382 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,0,0,0,0,0|4,0,0]=4 1383 B13R0.54 COCCCCNCCCNC(=O)C 34a_100000736810_100000755781 [0,0,0,0,0,0|3,0,0]=3 1384 B13R0.54 COCCCCNCCCOC(C)C 2230a_100000737246_100000730899 [0,0,0,0,0,0|3,0,1]=4 1385 B13R0.54 COCCCCNCCCOC(C)C 34a_100000737246_100000755781 [0,0,0,0,0,0|3,0,1]=4 1386 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,0,0,0,0,0|3,0,0]=3 1387 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,0,0,0,0,0|4,0,0]=4 1388 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,0,0,0,0,0|4,0,0]=4 1389 B13R0.54 COCCCCOCCCNC(=O)C 34a_100000752032_100000755781 [0,0,0,0,0,0|3,0,0]=3 1390 B13R0.54 COCCCCOCCCOC(=O)C 34a_100000740925_100000042594 [0,0,0,0,0,0|2,0,0]=2 1391 B13R0.54 COCCCCOCCCOC(=S)C 34a_100000740925_200135323944 [0,0,0,0,0,0|2,1,0]=3 1392 B13R0.54 COCCCCOCCCSC(=O)C 34a_100000740925_100000038929 [0,0,0,0,0,0|2,1,0]=3 1393 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,0,0,0,0,0|3,0,0]=3 1394 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,0,0,0,0,0|3,0,0]=3 1395 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000042594_100000730899 [0,0,0,0,0,0|2,0,0]=2 1396 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000730899_100000042594 [0,0,0,0,0,0|2,0,0]=2 1397 B13R0.54 COCCCCSCCCOC(=S)C 62a_100000730899_200135323944 [0,0,0,0,0,0|2,1,0]=3 1398 B13R0.54 COCCCCSCCCOC(=S)C 62a_200135323944_100000730899 [0,0,0,0,0,0|2,1,0]=3 1399 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000038929_100000730899 [0,0,0,0,0,0|2,1,0]=3 1400 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000730899_100000038929 [0,0,0,0,0,0|2,1,0]=3 1401 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,0,0,0,0,0|4,0,0]=4 1402 B13R0.54 COCCCNCCCCNC(=O)C 2230a_200011368371_100000740836 [0,0,0,0,0,0|3,0,0]=3 1403 B13R0.54 COCCCNCCCCNC(=O)C 34a_200011368371_100000740836 [0,0,0,0,0,0|3,0,0]=3 1404 B13R0.54 COCCCNCCCCOC(=O)C 34a_100150723488_100000033659 [0,0,0,0,0,0|2,0,0]=2 1405 B13R0.54 COCCCNCCCCO[N+](=O)[O-] 34a_100150723488_100015694321 [0,0,0,0,0,0|4,0,0]=4 1406 B13R0.54 COCCCNCCCCSC(=O)C 34a_100150723488_200010402107 [0,0,0,0,0,0|2,1,0]=3 1407 B13R0.54 COCCCNCOCCOC(=O)C 34a_100150723488_100000076355 [0,0,0,0,0,0|3,0,0]=3 1408 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,0,0,0,0,0|4,0,0]=4 1409 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,0,0,0,0,0|4,0,0]=4 1410 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,0,0,0,0,0|4,0,0]=4 1411 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,0,0,0,0,0|4,0,0]=4 1412 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000073216_100000740836 [0,0,0,0,0,0|2,0,0]=2 1413 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000740835_100000033659 [0,0,0,0,0,0|2,0,0]=2 1414 B13R0.54 COCCCOCCCCOC(=O)C 7a_100000073216_100000740836 [0,0,0,0,0,0|2,0,0]=2 1415 B13R0.54 COCCCOCCCCO[N+](=O)[O-] 34a_100000740835_100015694321 [0,0,0,0,0,0|4,0,0]=4 1416 B13R0.54 COCCCOCCCCSC(=O)C 34a_100000740835_200010402107 [0,0,0,0,0,0|2,1,0]=3 1417 B13R0.54 COCCCOCOCCOC(=O)C 34a_100000740835_100000076355 [0,0,0,0,0,0|3,0,0]=3 1418 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,0,0,0,0,0|4,0,0]=4 1419 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,0,0,0,0,0|4,0,0]=4 1420 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000033659_100000709357 [0,0,0,0,0,0|2,0,0]=2 1421 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000709357_100000033659 [0,0,0,0,0,0|2,0,0]=2 1422 B13R0.54 COCCCSCCCCO[N+](=O)[O-] 62a_100000709357_100015694321 [0,0,0,0,0,0|4,0,0]=4 1423 B13R0.54 COCCCSCCCCSC(=O)C 62a_100000709357_200010402107 [0,0,0,0,0,0|2,1,0]=3 1424 B13R0.54 COCCCSCCCCSC(=O)C 62a_200010402107_100000709357 [0,0,0,0,0,0|2,1,0]=3 1425 B13R0.54 COCCCSCOCCOC(=O)C 62a_100000076355_100000709357 [0,0,0,0,0,0|3,0,0]=3 1426 B13R0.54 COCCCSCOCCOC(=O)C 62a_100000709357_100000076355 [0,0,0,0,0,0|3,0,0]=3 1427 B13R0.54 COCCNCCCCCNC(=O)C 2230a_200012022750_100011201679 [0,0,0,0,0,0|3,0,0]=3 1428 B13R0.54 COCCNCCCCCNC(=O)C 34a_200012022750_100011201679 [0,0,0,0,0,0|3,0,0]=3 1429 B13R0.54 COCCNCCCCCOC(=O)C 2230a_100000209980_100009813381 [0,0,0,0,0,0|2,0,0]=2 1430 B13R0.54 COCCNCCOCCOC(=O)C 2230a_100000209980_200000083610 [0,0,0,0,0,0|3,0,0]=3 1431 B13R0.54 COCCOCCCCCOC(=O)C 34a_100000210237_100000033007 [0,0,0,0,0,0|2,0,0]=2 1432 B13R0.54 COCCOCCCNCOC(=O)C 34a_100000206027_100009813279 [0,0,0,0,0,0|3,0,0]=3 1433 B13R0.54 COCCOCCCOCCC(=O)C 34a_100000759926_100011216529 [0,0,0,0,0,0|4,0,0]=4 1434 B13R0.54 COCCOCCCOCCC(=O)C 7a_100000759926_100011216529 [0,0,0,0,0,0|4,0,0]=4 1435 B13R0.54 COCCOCCCSCCC(=O)C 62a_100000053229_100011216529 [0,0,0,0,0,0|4,0,0]=4 1436 B13R0.54 COCCOCCCSCCC(=O)C 62a_100011216529_100000053229 [0,0,0,0,0,0|4,0,0]=4 1437 B13R0.54 COCCOCCCSCOC(=O)C 62a_100000076356_100011216529 [0,0,0,0,0,0|3,0,0]=3 1438 B13R0.54 COCCOCCCSCOC(=O)C 62a_100011216529_100000076356 [0,0,0,0,0,0|3,0,0]=3 1439 B13R0.54 COCCOCCNCCCC(=O)C 34a_100000745349_100000685027 [0,0,0,0,0,0|4,0,0]=4 1440 B13R0.54 COCCOCCNCCNC(=O)C 2230a_100000209853_100000695917 [0,0,0,0,0,0|4,0,0]=4 1441 B13R0.54 COCCOCCNCCNC(=O)C 2230a_100000745349_100000189650 [0,0,0,0,0,0|4,0,0]=4 1442 B13R0.54 COCCOCCNCCOC(=O)C 34a_100000745349_100009814007 [0,0,0,0,0,0|3,0,0]=3 1443 B13R0.54 COCCOCCNCCOC(=O)N 34a_100000745349_200011214921 [0,0,0,0,0,0|4,0,0]=4 1444 B13R0.54 COCCOCCOCCCC(=O)C 34a_100000759063_100000695917 [0,0,0,0,0,0|4,0,0]=4 1445 B13R0.54 COCCOCCOCCCC(=O)C 34a_100011215163_100000685027 [0,0,0,0,0,0|4,0,0]=4 1446 B13R0.54 COCCOCCOCCCC(=O)C 7a_100000759063_100000695917 [0,0,0,0,0,0|4,0,0]=4 1447 B13R0.54 COCCOCCOCCCC(=O)C 7a_100011215163_100011215641 [0,0,0,0,0,0|4,0,0]=4 1448 B13R0.54 COCCOCCOCCNC(=O)C 1626a_100012028300_100015343762 [0,0,0,0,0,0|4,0,0]=4 1449 B13R0.54 COCCOCCOCCNC(=O)C 240690a_100012028300_100015343762 [0,0,0,0,0,0|4,0,0]=4 1450 B13R0.54 COCCOCCOCCNC(=O)C 34a_100000158858_100000695917 [0,0,0,0,0,0|4,0,0]=4 1451 B13R0.54 COCCOCCOCCNC(=O)C 7a_100011215163_100000189650 [0,0,0,0,0,0|4,0,0]=4 1452 B13R0.54 COCCOCCOCCOC(=O)C 34a_100000210237_200000083610 [0,0,0,0,0,0|3,0,0]=3 1453 B13R0.54 COCCOCCOCCOC(=O)C 34a_100011215163_100009814007 [0,0,0,0,0,0|3,0,0]=3 1454 B13R0.54 COCCOCCOCCOC(=O)C 7a_100011215163_100009814007 [0,0,0,0,0,0|3,0,0]=3 1455 B13R0.54 COCCOCCOCCOC(=O)N 34a_100011215163_200011214921 [0,0,0,0,0,0|4,0,0]=4 1456 B13R0.54 COCCOCCOCCOC(=O)N 7a_100000766696_100000695917 [0,0,0,0,0,0|4,0,0]=4 1457 B13R0.54 COCCOCCOCCOC(=O)N 7a_100011215163_200011214921 [0,0,0,0,0,0|4,0,0]=4 1458 B13R0.54 COCCOCCSCCCC(=O)C 62a_100000695917_100011215641 [0,0,0,0,0,0|4,0,0]=4 1459 B13R0.54 COCCOCCSCCCC(=O)C 62a_100011215641_100000695917 [0,0,0,0,0,0|4,0,0]=4 1460 B13R0.54 COCCOCCSCCNC(=O)C 62a_100000189650_100000695917 [0,0,0,0,0,0|4,0,0]=4 1461 B13R0.54 COCCOCCSCCNC(=O)C 62a_100000695917_100000189650 [0,0,0,0,0,0|4,0,0]=4 1462 B13R0.54 COCCOCCSCCOC(=O)C 62a_100000695917_100009814007 [0,0,0,0,0,0|3,0,0]=3 1463 B13R0.54 COCCOCCSCCOC(=O)C 62a_100009814007_100000695917 [0,0,0,0,0,0|3,0,0]=3 1464 B13R0.54 COCCOCCSCCOC(=O)N 62a_100000695917_200011214921 [0,0,0,0,0,0|4,0,0]=4 1465 B13R0.54 COCCOCCSCCOC(=O)N 62a_200011214921_100000695917 [0,0,0,0,0,0|4,0,0]=4 1466 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000231047_100000735457 [0,0,0,0,0,0|4,0,0]=4 1467 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000735457_100000231047 [0,0,0,0,0,0|4,0,0]=4 1468 B13R0.54 COCCOCSCCCOC(=O)C 62a_100000042594_100000231047 [0,0,0,0,0,0|3,0,0]=3 1469 B13R0.54 COCCOCSCCCOC(=O)C 62a_100000231047_100000042594 [0,0,0,0,0,0|3,0,0]=3 1470 B13R0.54 COCCOCSCCCOC(=S)C 62a_100000231047_200135323944 [0,0,0,0,0,0|3,1,0]=4 1471 B13R0.54 COCCOCSCCCOC(=S)C 62a_200135323944_100000231047 [0,0,0,0,0,0|3,1,0]=4 1472 B13R0.54 COCCOCSCCCSC(=O)C 62a_100000038929_100000231047 [0,0,0,0,0,0|3,1,0]=4 1473 B13R0.54 COCCOCSCCCSC(=O)C 62a_100000231047_100000038929 [0,0,0,0,0,0|3,1,0]=4 1474 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000033007_100000233755 [0,0,0,0,0,0|2,0,0]=2 1475 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000233755_100000033007 [0,0,0,0,0,0|2,0,0]=2 1476 B13R0.54 COCCSCCOCCOC(=O)C 62a_100000233755_200000083610 [0,0,0,0,0,0|3,0,0]=3 1477 B13R0.54 COCCSCCOCCOC(=O)C 62a_200000083610_100000233755 [0,0,0,0,0,0|3,0,0]=3 1478 B13R0.54 COCNCCCCCCNC(=O)C 2230a_200011996284_100000766300 [0,0,0,0,0,0|3,0,0]=3 1479 B13R0.54 CS(=O)CCCNCCCCCCF 2230a_200000753449_100015922095 [0,0,0,0,0,0|4,0,0]=4 1480 B13R0.54 CS(=O)CCCNCCCCCCO 2230a_200000753449_100000766143 [0,0,0,0,0,0|4,0,0]=4 1481 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,0,0,0,0,0|3,0,0]=3 1482 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,0,0,0,0,0|3,0,0]=3 1483 B13R0.54 CSCCCCOCCCOC(=O)C 34a_100011217163_100000042594 [0,0,0,0,0,0|2,0,0]=2 1484 B13R0.54 CSCCCCOCCCOC(=O)C 7a_100011217163_100000042594 [0,0,0,0,0,0|2,0,0]=2 1485 B13R0.54 CSCCCCOCCCOC(=S)C 34a_100011217163_200135323944 [0,0,0,0,0,0|2,1,0]=3 1486 B13R0.54 CSCCCCOCCCOC(=S)C 7a_100011217163_200135323944 [0,0,0,0,0,0|2,1,0]=3 1487 B13R0.54 CSCCCCOCCCSC(=O)C 34a_100011217163_100000038929 [0,0,0,0,0,0|2,1,0]=3 1488 B13R0.54 CSCCCCOCCCSC(=O)C 7a_100011217163_100000038929 [0,0,0,0,0,0|2,1,0]=3 1489 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,0,0,0,0,0|4,0,0]=4 1490 B13R0.54 CSCCCNCCCCSC(=O)C 2230a_100000749238_200010402107 [0,0,0,0,0,0|2,1,0]=3 1491 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,0,0,0,0,0|4,0,0]=4 1492 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,0,0,0,0,0|4,0,0]=4 1493 B13R0.54 CSCCCOCCCCOC(=O)C 34a_100000690336_100000033659 [0,0,0,0,0,0|2,0,0]=2 1494 B13R0.54 CSCCCOCCCCOC(=O)C 7a_100000690336_100000033659 [0,0,0,0,0,0|2,0,0]=2 1495 B13R0.54 CSCCCOCCCCO[N+](=O)[O-] 34a_100000690336_100015694321 [0,0,0,0,0,0|4,0,0]=4 1496 B13R0.54 CSCCCOCCCCO[N+](=O)[O-] 7a_100000690336_100015694321 [0,0,0,0,0,0|4,0,0]=4 1497 B13R0.54 CSCCCOCCCCSC(=O)C 34a_100000690336_200010402107 [0,0,0,0,0,0|2,1,0]=3 1498 B13R0.54 CSCCCOCCCCSC(=O)C 7a_100000690336_200010402107 [0,0,0,0,0,0|2,1,0]=3 1499 B13R0.54 CSCCCOCOCCOC(=O)C 34a_100000690336_100000076355 [0,0,0,0,0,0|3,0,0]=3 1500 B13R0.54 CSCCNCCCCCNC(=O)C 2230a_200012022750_100000751147 [0,0,0,0,0,0|3,0,0]=3 1501 B13R0.54 CSCCNCCCCCNC(=O)C 34a_200012022750_100000212216 [0,0,0,0,0,0|3,0,0]=3 1502 B13R0.54 CSCCNCCCCCOC(=O)C 2230a_100020590264_100009813381 [0,0,0,0,0,0|2,0,0]=2 1503 B13R0.54 CSCCNCCOCCOC(=O)C 2230a_100020590264_200000083610 [0,0,0,0,0,0|3,0,0]=3 1504 B13R0.54 CSCCOCCCCCOC(=O)C 34a_100000230434_100000033007 [0,0,0,0,0,0|2,0,0]=2 1505 B13R0.54 CSCCOCCCCCOC(=O)C 7a_100000230434_100000033007 [0,0,0,0,0,0|2,0,0]=2 1506 B13R0.54 CSCCOCCOCCOC(=O)C 34a_100000230434_200000083610 [0,0,0,0,0,0|3,0,0]=3 1507 B13R0.54 CSCCOCCOCCOC(=O)C 7a_100000230434_200000083610 [0,0,0,0,0,0|3,0,0]=3 1508 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000033007_100000751147 [0,0,0,0,0,0|2,0,0]=2 1509 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000212216_100000033007 [0,0,0,0,0,0|2,0,0]=2 1510 B13R0.54 CSCCSCCOCCOC(=O)C 62a_100000212216_200000083610 [0,0,0,0,0,0|3,0,0]=3 1511 B13R0.54 CSCCSCCOCCOC(=O)C 62a_200000083610_100000751147 [0,0,0,0,0,0|3,0,0]=3 1512 B13R0.54 CSCNCCCCCCNC(=O)C 2230a_200011996284_100011218213 [0,0,0,0,0,0|3,0,0]=3 1513 B13R0.54 CSCNCCCCCCNC(=O)C 34a_200011996284_100011218213 [0,0,0,0,0,0|3,0,0]=3 1514 B13R0.54 N#CCCCCCOCCOC(=O)N 7a_100000766696_100009813376 [0,0,0,0,0,0|3,0,1]=4 1515 B13R0.54 N#CCCCCCSCCOC(=O)N 62a_100009813376_200011214921 [0,0,0,0,0,0|3,0,1]=4 1516 B13R0.54 N#CCCCCCSCCOC(=O)N 62a_200011214921_100009813376 [0,0,0,0,0,0|3,0,1]=4 1517 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,0,0,0,0,0|4,0,0]=4 1518 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,0,0,0,0,0|4,0,0]=4 1519 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,0,0,0,0,0|4,0,0]=4 1520 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,0,0,0,0,0|4,0,0]=4 1521 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,0,0,0,0,0|4,0,0]=4 1522 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,0,0,0,0,0|4,0,0]=4 1523 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,0,0,0,0,0|4,0,0]=4 1524 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,0,0,0,0,0|4,0,0]=4 1525 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,0,0,0,0,0|4,0,0]=4 1526 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,0,0,0,0,0|4,0,0]=4 1527 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,0,0,0,0,0|4,0,0]=4 1528 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,0,0,0,0,0|4,0,0]=4 1529 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,0,0,0,0,0|4,0,0]=4 1530 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,0,0,0,0,0|4,0,0]=4 1531 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,0,0,0,0,0|4,0,0]=4 1532 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,0,0,0,0,0|4,0,0]=4 1533 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,0,0,0,0,0|4,0,0]=4 1534 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,0,0,0,0,0|4,0,0]=4 1535 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,0,0,0,0,0|4,0,0]=4 1536 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,0,0,0,0,0|4,0,0]=4 1537 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,0,0,0,0,0|4,0,0]=4 1538 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,0,0,0,0,0|4,0,0]=4 1539 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,0,0,0,0,0|4,0,0]=4 1540 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,0,0,0,0,0|4,0,0]=4 1541 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,0,0,0,0,0|4,0,0]=4 1542 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,0,0,0,0,0|4,0,0]=4 1543 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,0,0,0,0,0|4,0,0]=4 1544 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,0,0,0,0,0|4,0,0]=4 1545 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,0,0,0,0,0|4,0,0]=4 1546 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,0,0,0,0,0|4,0,0]=4 1547 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,0,0,0,0,0|4,0,0]=4 1548 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,0,0,0,0,0|4,0,0]=4 1549 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,0,0,0,0,0|4,0,0]=4 1550 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,0,0,0,0,0|4,0,0]=4 1551 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,0,0,0,0,0|4,0,0]=4 1552 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,0,0,0,0,0|4,0,0]=4 1553 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,0,0,0,0,0|4,0,0]=4 1554 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,0,0,0,0,0|4,0,0]=4 1555 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,0,0,0,0,0|4,0,0]=4 1556 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,0,0,0,0,0|4,0,0]=4 1557 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,0,0,0,0,0|4,0,0]=4 1558 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,0,0,0,0,0|4,0,0]=4 1559 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,0,0,0,0,0|4,0,0]=4 1560 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,0,0,0,0,0|4,0,0]=4 1561 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,0,0,0,0,0|4,0,0]=4 1562 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,0,0,0,0,0|4,0,0]=4 1563 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,0,0,0,0,0|4,0,0]=4 1564 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,0,0,0,0,0|4,0,0]=4 1565 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,0,0,0,0,0|4,0,0]=4 1566 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,0,0,0,0,0|4,0,0]=4 1567 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,0,0,0,0,0|4,0,0]=4 1568 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,0,0,0,0,0|4,0,0]=4 1569 B13R0.54 NC(=O)NCCNCCCCCCF 34a_100020590234_100015922095 [0,0,0,0,0,0|4,0,0]=4 1570 B13R0.54 NC(=O)NCCNCCCCCCO 2230a_100000686447_200000034859 [0,0,0,0,0,0|4,0,0]=4 1571 B13R0.54 NC(=O)NCCNCCCCCCO 34a_100020590234_100000766143 [0,0,0,0,0,0|4,0,0]=4 1572 B13R0.54 NC(=O)NCCOCCCCCCBr 7a_100011215345_200000034859 [0,0,0,0,0,0|4,0,0]=4 1573 B13R0.54 NC(=O)NCCOCCCCCCCl 7a_100000766143_200000034859 [0,0,0,0,0,0|4,0,0]=4 1574 B13R0.54 NC(=O)NCCOCCCCCCF 34a_100000181757_100015922095 [0,0,0,0,0,0|4,0,0]=4 1575 B13R0.54 NC(=O)NCCOCCCCCCF 7a_100000732779_200000034859 [0,0,0,0,0,0|4,0,0]=4 1576 B13R0.54 NC(=O)NCCOCCCCCCO 34a_100000181757_100000766143 [0,0,0,0,0,0|4,0,0]=4 1577 B13R0.54 NC(=O)NCCSCCCCCCF 62a_100015922095_200000034859 [0,0,0,0,0,0|4,0,0]=4 1578 B13R0.54 NC(=O)NCCSCCCCCCF 62a_200000034859_100015922095 [0,0,0,0,0,0|4,0,0]=4 1579 B13R0.54 NC(=O)NCCSCCCCCCO 62a_100000766143_200000034859 [0,0,0,0,0,0|4,0,0]=4 1580 B13R0.54 NC(=O)NCCSCCCCCCO 62a_200000034859_100000766143 [0,0,0,0,0,0|4,0,0]=4 1581 B13R0.54 NC(=O)OCCNCCCCCCO 34a_100000686447_200011214921 [0,0,0,0,0,0|3,0,0]=3 1582 B13R0.54 NC(=O)OCCOCCCCCC=O 7a_100000766696_100000139337 [0,0,0,0,0,0|3,0,1]=4 1583 B13R0.54 NC(=O)OCCOCCCCCCBr 34a_100011215345_200011214921 [0,0,0,0,0,0|3,0,0]=3 1584 B13R0.54 NC(=O)OCCOCCCCCCBr 7a_100011215345_200011214921 [0,0,0,0,0,0|3,0,0]=3 1585 B13R0.54 NC(=O)OCCOCCCCCCCl 34a_100000766143_200011214921 [0,0,0,0,0,0|3,0,0]=3 1586 B13R0.54 NC(=O)OCCOCCCCCCCl 7a_100000766143_200011214921 [0,0,0,0,0,0|3,0,0]=3 1587 B13R0.54 NC(=O)OCCOCCCCCCF 34a_100000732779_200011214921 [0,0,0,0,0,0|3,0,0]=3 1588 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000732779_200011214921 [0,0,0,0,0,0|3,0,0]=3 1589 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000766696_100015922095 [0,0,0,0,0,0|3,0,0]=3 1590 B13R0.54 NC(=O)OCCOCCCCCCO 7a_100000766696_100000766143 [0,0,0,0,0,0|3,0,0]=3 1591 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_100000139337_200011214921 [0,0,0,0,0,0|3,0,1]=4 1592 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_200011214921_100000139337 [0,0,0,0,0,0|3,0,1]=4 1593 B13R0.54 NC(=O)OCCSCCCCCCF 62a_100015922095_200011214921 [0,0,0,0,0,0|3,0,0]=3 1594 B13R0.54 NC(=O)OCCSCCCCCCF 62a_200011214921_100015922095 [0,0,0,0,0,0|3,0,0]=3 1595 B13R0.54 NC(=O)OCCSCCCCCCO 62a_100000766143_200011214921 [0,0,0,0,0,0|3,0,0]=3 1596 B13R0.54 NC(=O)OCCSCCCCCCO 62a_200011214921_100000766143 [0,0,0,0,0,0|3,0,0]=3 1597 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,0,0,0,0,0|4,0,0]=4 1598 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,0,0,0,0,0|4,0,0]=4 1599 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,0,0,0,0,0|4,0,0]=4 1600 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,0,0,0,0,0|4,0,0]=4 1601 B13R0.54 NCCCCCCOCCOC(=O)N 34a_100000686447_200011214921 [0,0,0,0,0,0|3,0,0]=3 1602 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,0,0,0,0,0|4,0,0]=4 1603 B13R0.54 NCCCCOCCCCO[N+](=O)[O-] 34a_100000750430_100015694321 [0,0,0,0,0,0|4,0,0]=4 1604 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,0,0,0,0,0|4,0,0]=4 1605 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,0,0,0,0,0|4,0,0]=4 1606 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,0,0,0,0,0|4,0,0]=4 1607 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,0,0,0,0,0|4,0,0]=4 1608 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,0,0,0,0,0|4,0,0]=4 1609 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,0,0,0,0,0|4,0,0]=4 1610 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,0,0,0,0,0|4,0,0]=4 1611 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,0,0,0,0,0|4,0,0]=4 1612 B13R0.54 O=[N+]([O-])OCCCCNCCCCO 34a_100000750430_100015694321 [0,0,0,0,0,0|4,0,0]=4 1613 B13R0.54 O=[N+]([O-])OCCCCOCCCCBr 34a_100011216708_100015694321 [0,0,0,0,0,0|4,0,0]=4 1614 B13R0.54 O=[N+]([O-])OCCCCOCCCCCl 34a_100000210776_100015694321 [0,0,0,0,0,0|4,0,0]=4 1615 B13R0.54 O=[N+]([O-])OCCCCOCCCCCl 7a_100000210776_100015694321 [0,0,0,0,0,0|4,0,0]=4 1616 B13R0.54 O=[N+]([O-])OCCCCOCCCCF 34a_100011995726_100015694321 [0,0,0,0,0,0|4,0,0]=4 1617 B13R0.54 O=[N+]([O-])OCCCCOCCCCF 7a_100011995726_100015694321 [0,0,0,0,0,0|4,0,0]=4 1618 B13R0.54 O=[N+]([O-])OCCCCOCCCCI 34a_200012148704_100015694321 [0,0,0,0,0,0|4,0,0]=4 1619 B13R0.54 O=[N+]([O-])OCCCCSCCCCF 62a_100000729493_100015694321 [0,0,0,0,0,0|4,0,0]=4 1620 B13R0.54 O=[N+]([O-])OCCCCSCCCCO 62a_100000210776_100015694321 [0,0,0,0,0,0|4,0,0]=4 1621 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [1,0,0,0,0,0|0,0,3]=4 1622 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [1,0,0,0,0,0|0,0,3]=4 1623 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [1,0,0,0,0,0|2,0,0]=3 1624 B12R0.5 C/C=C/CCOCCCCCCF 34a_100016278192_100015922095 [1,0,0,0,0,0|3,0,0]=4 1625 B12R0.5 C/C=C/CCOCCCCCCO 34a_100016278192_100000766143 [1,0,0,0,0,0|3,0,0]=4 1626 B12R0.5 C/C=C/CCOCCOCCCC 34a_100016278192_100000743108 [1,0,0,0,0,0|3,0,0]=4 1627 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [1,0,0,0,0,0|2,0,0]=3 1628 B12R0.5 C/C=C/CNCCCCCCCO 34a_100011996573_100102629194 [1,0,0,0,0,0|3,0,0]=4 1629 B12R0.5 C/C=C/CNCCCOCCCC 34a_200000211371_100102629194 [1,0,0,0,0,0|3,0,0]=4 1630 B12R0.5 C/C=C/COCCCCCCCBr 34a_100000760002_100102629194 [1,0,0,0,0,0|3,0,0]=4 1631 B12R0.5 C/C=C/COCCCCCCCBr 7a_100000760002_100102629194 [1,0,0,0,0,0|3,0,0]=4 1632 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [1,0,0,0,0,0|2,0,0]=3 1633 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [1,0,0,0,0,0|2,0,0]=3 1634 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [1,0,0,0,0,0|2,0,0]=3 1635 B12R0.5 C/C=C/COCCCCCCCN 34a_100011996573_100102629194 [1,0,0,0,0,0|3,0,0]=4 1636 B12R0.5 C/C=C/COCCCCCCCO 34a_100016270725_100000760002 [1,0,0,0,0,0|3,0,0]=4 1637 B12R0.5 C/C=C/COCCCCCCOC 34a_100016270725_100011998445 [1,0,0,0,0,0|3,0,0]=4 1638 B12R0.5 C/C=C/COCCCCCCOC 34a_200012092642_100102629194 [1,0,0,0,0,0|3,0,0]=4 1639 B12R0.5 C/C=C/COCCCCCCOC 7a_200012092642_100102629194 [1,0,0,0,0,0|3,0,0]=4 1640 B12R0.5 C/C=C/COCCCOCCCC 34a_200011215613_100102629194 [1,0,0,0,0,0|3,0,0]=4 1641 B12R0.5 C/C=C/COCCCOCCCC 7a_200011215613_100102629194 [1,0,0,0,0,0|3,0,0]=4 1642 B12R0.5 C/C=C/COCCNCCCCC 34a_100000224656_100102629194 [1,0,0,0,0,0|3,0,0]=4 1643 B12R0.5 C/C=C/COCCOCCCCC 34a_100011215259_100102629194 [1,0,0,0,0,0|3,0,0]=4 1644 B12R0.5 C/C=C/COCCOCCCCC 7a_100011215259_100102629194 [1,0,0,0,0,0|3,0,0]=4 1645 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [1,0,0,0,0,0|2,0,0]=3 1646 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [1,0,0,0,0,0|2,0,0]=3 1647 B12R0.5 C/C=C/CSCCCCCCCO 62a_100000760002_100102629194 [1,0,0,0,0,0|3,0,0]=4 1648 B12R0.5 C/C=C/CSCCCCCCCO 62a_100102629194_100000760002 [1,0,0,0,0,0|3,0,0]=4 1649 B12R0.5 C/C=C/CSCCCCCCOC 62a_100011998445_100102629194 [1,0,0,0,0,0|3,0,0]=4 1650 B12R0.5 C/C=C/CSCCCCCCOC 62a_100102629194_100011998445 [1,0,0,0,0,0|3,0,0]=4 1651 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [1,0,0,0,0,0|2,0,1]=4 1652 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [1,0,0,0,0,0|2,0,1]=4 1653 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [1,0,0,0,0,0|2,0,1]=4 1654 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [1,0,0,0,0,0|2,0,1]=4 1655 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [1,0,0,0,0,0|2,0,1]=4 1656 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [1,0,0,0,0,0|2,0,1]=4 1657 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [1,0,0,0,0,0|2,0,1]=4 1658 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [1,0,0,0,0,0|2,0,1]=4 1659 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [1,0,0,0,0,0|2,0,1]=4 1660 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [1,0,0,0,0,0|2,0,1]=4 1661 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [1,0,0,0,0,0|2,0,1]=4 1662 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [1,0,0,0,0,0|2,0,1]=4 1663 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [1,0,0,0,0,0|2,0,1]=4 1664 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [1,0,0,0,0,0|2,0,1]=4 1665 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [1,0,0,0,0,0|2,0,1]=4 1666 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [1,0,0,0,0,0|2,0,1]=4 1667 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [1,0,0,0,0,0|2,0,1]=4 1668 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [1,0,0,0,0,0|0,0,3]=4 1669 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [1,0,0,0,0,0|0,0,3]=4 1670 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [1,0,0,0,0,0|0,0,3]=4 1671 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [1,0,0,0,0,0|2,0,1]=4 1672 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [1,0,0,0,0,0|2,0,1]=4 1673 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [1,0,0,0,0,0|2,0,1]=4 1674 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [1,0,0,0,0,0|2,0,1]=4 1675 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [1,0,0,0,0,0|2,0,1]=4 1676 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [1,0,0,0,0,0|2,0,1]=4 1677 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [1,0,0,0,0,0|2,0,1]=4 1678 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [1,0,0,0,0,0|2,0,1]=4 1679 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [1,0,0,0,0,0|2,0,1]=4 1680 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [1,0,0,0,0,0|2,0,1]=4 1681 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [1,0,0,0,0,0|2,0,1]=4 1682 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [1,0,0,0,0,0|2,0,1]=4 1683 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [1,0,0,0,0,0|2,0,1]=4 1684 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [1,0,0,0,0,0|2,0,1]=4 1685 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [1,0,0,0,0,0|2,0,1]=4 1686 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [1,0,0,0,0,0|2,0,1]=4 1687 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [1,0,0,0,0,0|2,0,1]=4 1688 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [1,0,0,0,0,0|2,0,1]=4 1689 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [1,0,0,0,0,0|2,0,1]=4 1690 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [1,0,0,0,0,0|2,0,1]=4 1691 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [1,0,0,0,0,0|2,0,1]=4 1692 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [1,0,0,0,0,0|2,0,1]=4 1693 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [1,0,0,0,0,0|2,0,1]=4 1694 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [1,0,0,0,0,0|2,0,1]=4 1695 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [1,0,0,0,0,0|2,0,1]=4 1696 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [1,0,0,0,0,0|2,0,1]=4 1697 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [1,0,0,0,0,0|2,0,1]=4 1698 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [1,0,0,0,0,0|2,0,1]=4 1699 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [1,0,0,0,0,0|2,0,1]=4 1700 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [1,0,0,0,0,0|2,0,1]=4 1701 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [1,0,0,0,0,0|2,0,1]=4 1702 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [1,0,0,0,0,0|2,0,1]=4 1703 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [1,0,0,0,0,0|2,0,1]=4 1704 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [1,0,0,0,0,0|2,0,1]=4 1705 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [1,0,0,0,0,0|2,0,1]=4 1706 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [1,0,0,0,0,0|2,0,1]=4 1707 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [1,0,0,0,0,0|2,0,1]=4 1708 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [1,0,0,0,0,0|2,0,1]=4 1709 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [1,0,0,0,0,0|2,0,1]=4 1710 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [1,0,0,0,0,0|2,0,1]=4 1711 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [1,0,0,0,0,0|2,0,1]=4 1712 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [1,0,0,0,0,0|2,0,1]=4 1713 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [1,0,0,0,0,0|2,0,1]=4 1714 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [1,0,0,0,0,0|2,0,1]=4 1715 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [1,0,0,0,0,0|2,0,1]=4 1716 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [1,0,0,0,0,0|2,0,1]=4 1717 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [1,0,0,0,0,0|2,0,1]=4 1718 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [1,0,0,0,0,0|2,0,1]=4 1719 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [1,0,0,0,0,0|2,0,1]=4 1720 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [1,0,0,0,0,0|2,0,1]=4 1721 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [1,0,0,0,0,0|2,0,1]=4 1722 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [1,0,0,0,0,0|2,0,1]=4 1723 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [1,0,0,0,0,0|2,0,1]=4 1724 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [1,0,0,0,0,0|2,0,1]=4 1725 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [1,0,0,0,0,0|2,0,1]=4 1726 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [1,0,0,0,0,0|1,0,1]=3 1727 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [1,0,0,0,0,0|1,0,1]=3 1728 B12R0.5 C=COCCCCOCCCCF 34a_100000031558_100000729493 [1,0,0,0,0,0|2,0,1]=4 1729 B12R0.5 C=COCCCCOCCCCF 7a_100000031558_100000729493 [1,0,0,0,0,0|2,0,1]=4 1730 B12R0.5 C=COCCCCOCCCCO 34a_100000031558_100011216708 [1,0,0,0,0,0|2,0,1]=4 1731 B12R0.5 C=COCCCCOCCCCO 7a_100000031558_100000210776 [1,0,0,0,0,0|2,0,1]=4 1732 B12R0.5 C=COCCCCOCCCOC 34a_100000031558_100000740836 [1,0,0,0,0,0|2,0,1]=4 1733 B12R0.5 C=COCCCCOCCCOC 7a_100000031558_100000740836 [1,0,0,0,0,0|2,0,1]=4 1734 B12R0.5 C=COCCCCOCCOCC 34a_100000031558_100000210147 [1,0,0,0,0,0|2,0,1]=4 1735 B12R0.5 C=COCCCCOCCOCC 7a_100000031558_100011215890 [1,0,0,0,0,0|2,0,1]=4 1736 B12R0.5 C=COCCCCOCCSCC 34a_100000031558_100000757381 [1,0,0,0,0,0|2,0,1]=4 1737 B12R0.5 C=COCCCCOCCSCC 7a_100000031558_100000757381 [1,0,0,0,0,0|2,0,1]=4 1738 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [1,0,0,0,0,0|1,0,1]=3 1739 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [1,0,0,0,0,0|1,0,1]=3 1740 B12R0.5 C=COCCCNCCCCCF 2230a_100000210767_100000729378 [1,0,0,0,0,0|2,0,1]=4 1741 B12R0.5 C=COCCCNCCCCCF 34a_100000210767_100000729378 [1,0,0,0,0,0|2,0,1]=4 1742 B12R0.5 C=COCCCNCCCCCO 2230a_100000210767_100000746330 [1,0,0,0,0,0|2,0,1]=4 1743 B12R0.5 C=COCCCNCCCCCO 34a_100000210767_100000746330 [1,0,0,0,0,0|2,0,1]=4 1744 B12R0.5 C=COCCCNCCCCOC 2230a_100000210767_100000730899 [1,0,0,0,0,0|2,0,1]=4 1745 B12R0.5 C=COCCCNCCCCOC 34a_100000210767_100000755781 [1,0,0,0,0,0|2,0,1]=4 1746 B12R0.5 C=COCCCNCCCOCC 2230a_100000210767_100012232248 [1,0,0,0,0,0|2,0,1]=4 1747 B12R0.5 C=COCCCNCCCOCC 34a_100000210767_100012232248 [1,0,0,0,0,0|2,0,1]=4 1748 B12R0.5 C=COCCCNCCOCCC 2230a_100000210767_100011215938 [1,0,0,0,0,0|2,0,1]=4 1749 B12R0.5 C=COCCCNCCOCCC 34a_100000210767_100011215938 [1,0,0,0,0,0|2,0,1]=4 1750 B12R0.5 C=COCCCNCOCCCC 2230a_100000210767_100011995733 [1,0,0,0,0,0|2,0,1]=4 1751 B12R0.5 C=COCCCNCOCCCC 34a_100000210767_100011995733 [1,0,0,0,0,0|2,0,1]=4 1752 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [1,0,0,0,0,0|1,0,1]=3 1753 B12R0.5 C=COCCNCCCCCCO 2230a_100000686447_100000039644 [1,0,0,0,0,0|2,0,1]=4 1754 B12R0.5 C=COCCNCCCCCCO 34a_100000686447_100000039644 [1,0,0,0,0,0|2,0,1]=4 1755 B12R0.5 C=COCCNCCCCCOC 2230a_100000747528_100000039644 [1,0,0,0,0,0|2,0,1]=4 1756 B12R0.5 C=COCCNCCCCCOC 34a_100000747528_100000039644 [1,0,0,0,0,0|2,0,1]=4 1757 B12R0.5 C=COCCNCCCOCCC 2230a_100011217757_100000039644 [1,0,0,0,0,0|2,0,1]=4 1758 B12R0.5 C=COCCNCCCOCCC 34a_100011217757_100000039644 [1,0,0,0,0,0|2,0,1]=4 1759 B12R0.5 C=COCCNCCSCCCC 2230a_100025743550_100000039644 [1,0,0,0,0,0|2,0,1]=4 1760 B12R0.5 C=COCCOCCCCCCBr 34a_100011215345_100000039644 [1,0,0,0,0,0|2,0,1]=4 1761 B12R0.5 C=COCCOCCCCCCBr 7a_100011215345_100000039644 [1,0,0,0,0,0|2,0,1]=4 1762 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [1,0,0,0,0,0|1,0,1]=3 1763 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [1,0,0,0,0,0|1,0,1]=3 1764 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [1,0,0,0,0,0|1,0,1]=3 1765 B12R0.5 C=COCCOCCCCCCCl 34a_100000766143_100000039644 [1,0,0,0,0,0|2,0,1]=4 1766 B12R0.5 C=COCCOCCCCCCCl 7a_100000766143_100000039644 [1,0,0,0,0,0|2,0,1]=4 1767 B12R0.5 C=COCCOCCCCCCF 34a_100000033082_100015922095 [1,0,0,0,0,0|2,0,1]=4 1768 B12R0.5 C=COCCOCCCCCCF 34a_100000732779_100000039644 [1,0,0,0,0,0|2,0,1]=4 1769 B12R0.5 C=COCCOCCCCCCF 7a_100000732779_100000039644 [1,0,0,0,0,0|2,0,1]=4 1770 B12R0.5 C=COCCOCCCCCCN 34a_100000686447_100000039644 [1,0,0,0,0,0|2,0,1]=4 1771 B12R0.5 C=COCCOCCCCCCO 34a_100000033082_100000766143 [1,0,0,0,0,0|2,0,1]=4 1772 B12R0.5 C=COCCOCCCCCNC 34a_100000722520_100000039644 [1,0,0,0,0,0|2,0,1]=4 1773 B12R0.5 C=COCCOCCOCCCC 34a_100000033082_100000743108 [1,0,0,0,0,0|2,0,1]=4 1774 B12R0.5 C=COCCOCCOCCCC 34a_100000039918_100000210210 [1,0,0,0,0,0|2,0,1]=4 1775 B12R0.5 C=COCCOCCOCCCC 34a_100000210238_100000039644 [1,0,0,0,0,0|2,0,1]=4 1776 B12R0.5 C=COCCOCCOCCCC 7a_100000039918_100000210211 [1,0,0,0,0,0|2,0,1]=4 1777 B12R0.5 C=COCCOCCOCCCC 7a_100000210238_100000039644 [1,0,0,0,0,0|2,0,1]=4 1778 B12R0.5 C=COCCOCCSCCCC 34a_200000230436_100000039644 [1,0,0,0,0,0|2,0,1]=4 1779 B12R0.5 C=COCCOCCSCCCC 7a_200000230436_100000039644 [1,0,0,0,0,0|2,0,1]=4 1780 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [1,0,0,0,0,0|1,0,1]=3 1781 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [1,0,0,0,0,0|1,0,1]=3 1782 B12R0.5 C=COCCSCCCCCCF 62a_100000039644_100015922095 [1,0,0,0,0,0|2,0,1]=4 1783 B12R0.5 C=COCCSCCCCCCF 62a_100015922095_100000039644 [1,0,0,0,0,0|2,0,1]=4 1784 B12R0.5 C=COCCSCCCCCCO 62a_100000039644_100000766143 [1,0,0,0,0,0|2,0,1]=4 1785 B12R0.5 C=COCCSCCCCCCO 62a_100000766143_100000039644 [1,0,0,0,0,0|2,0,1]=4 1786 B12R0.5 C=COCCSCCOCCCC 62a_100000039644_100000743108 [1,0,0,0,0,0|2,0,1]=4 1787 B12R0.5 C=COCCSCCOCCCC 62a_100000743108_100000039644 [1,0,0,0,0,0|2,0,1]=4 1788 B12R0.5 CC#CCCOCCCCCCC 34a_100000750427_100000210614 [1,0,0,0,0,0|2,0,1]=4 1789 B12R0.5 CC#CCNCCCCCCCC 2230a_100000229939_100000748600 [1,0,0,0,0,0|2,0,1]=4 1790 B12R0.5 CC#CCNCCCCCCCC 2230a_100000685387_100000210759 [1,0,0,0,0,0|2,0,1]=4 1791 B12R0.5 CC#CCNCCCCCCCC 34a_100000229939_100000748600 [1,0,0,0,0,0|2,0,1]=4 1792 B12R0.5 CC#CCNCCCCCCCC 34a_100000685387_100000210759 [1,0,0,0,0,0|2,0,1]=4 1793 B12R0.5 CC#CCOCCCCCCCC 34a_100000210232_100000748600 [1,0,0,0,0,0|2,0,1]=4 1794 B12R0.5 CC#CCOCCCCCCCC 34a_100000761923_100000210759 [1,0,0,0,0,0|2,0,1]=4 1795 B12R0.5 CC#CCOCCCCCCCC 7a_100000210232_100000748600 [1,0,0,0,0,0|2,0,1]=4 1796 B12R0.5 CC#CCSCCCCCCCC 62a_100000210759_100000748600 [1,0,0,0,0,0|2,0,1]=4 1797 B12R0.5 CC#CCSCCCCCCCC 62a_100000748600_100000210317 [1,0,0,0,0,0|2,0,1]=4 1798 B12R0.5 CC=C=CCCOCCCCCC 34a_100011020354_100000210314 [1,0,0,0,0,0|2,0,1]=4 1799 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [1,0,0,0,0,0|2,0,0]=3 1800 B12R0.5 CC=CCCCOCCCCCF 34a_100020645299_100000729378 [1,0,0,0,0,0|3,0,0]=4 1801 B12R0.5 CC=CCCCOCCCCCO 34a_100020645299_100000746330 [1,0,0,0,0,0|3,0,0]=4 1802 B12R0.5 CC=CCCCOCCCCOC 34a_100020645299_100000755781 [1,0,0,0,0,0|3,0,0]=4 1803 B12R0.5 CC=CCCCOCCCOCC 34a_100020645299_100012232248 [1,0,0,0,0,0|3,0,0]=4 1804 B12R0.5 CC=CCCCOCCOCCC 34a_100020645299_100011215938 [1,0,0,0,0,0|3,0,0]=4 1805 B12R0.5 CC=CCCCOCOCCCC 34a_100020645299_100011995733 [1,0,0,0,0,0|3,0,0]=4 1806 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [1,0,0,0,0,0|2,0,0]=3 1807 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [1,0,0,0,0,0|2,0,0]=3 1808 B12R0.5 CC=CCNCCCCCCCO 2230a_100011996573_100000070051 [1,0,0,0,0,0|3,0,0]=4 1809 B12R0.5 CC=CCNCCCCCCCO 34a_100011996573_100000070051 [1,0,0,0,0,0|3,0,0]=4 1810 B12R0.5 CC=CCNCCCOCCCC 2230a_200000211371_100000070051 [1,0,0,0,0,0|3,0,0]=4 1811 B12R0.5 CC=CCNCCCOCCCC 34a_200000211371_100000070051 [1,0,0,0,0,0|3,0,0]=4 1812 B12R0.5 CC=CCOCCCCCCCBr 34a_100000760002_100000070051 [1,0,0,0,0,0|3,0,0]=4 1813 B12R0.5 CC=CCOCCCCCCCBr 7a_100000760002_100000070051 [1,0,0,0,0,0|3,0,0]=4 1814 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [1,0,0,0,0,0|2,0,0]=3 1815 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [1,0,0,0,0,0|2,0,0]=3 1816 B12R0.5 CC=CCOCCCCCCCN 34a_100011996573_100000070051 [1,0,0,0,0,0|3,0,0]=4 1817 B12R0.5 CC=CCOCCCCCCOC 34a_200012092642_100000070051 [1,0,0,0,0,0|3,0,0]=4 1818 B12R0.5 CC=CCOCCCCCCOC 7a_200012092642_100000070051 [1,0,0,0,0,0|3,0,0]=4 1819 B12R0.5 CC=CCOCCCOCCCC 34a_200011215613_100000070051 [1,0,0,0,0,0|3,0,0]=4 1820 B12R0.5 CC=CCOCCCOCCCC 7a_200011215613_100000070051 [1,0,0,0,0,0|3,0,0]=4 1821 B12R0.5 CC=CCOCCNCCCCC 34a_100000224656_100000070051 [1,0,0,0,0,0|3,0,0]=4 1822 B12R0.5 CC=CCOCCOCCCCC 34a_100011215259_100000070051 [1,0,0,0,0,0|3,0,0]=4 1823 B12R0.5 CC=CCOCCOCCCCC 7a_100011215259_100000070051 [1,0,0,0,0,0|3,0,0]=4 1824 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [1,0,0,0,0,0|2,0,0]=3 1825 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [1,0,0,0,0,0|2,0,0]=3 1826 B12R0.5 CC=CCSCCCCCCCO 62a_100000070051_100000760002 [1,0,0,0,0,0|3,0,0]=4 1827 B12R0.5 CC=CCSCCCCCCCO 62a_100000760002_100000070051 [1,0,0,0,0,0|3,0,0]=4 1828 B12R0.5 CC=CCSCCCCCCOC 62a_100000070051_100011998445 [1,0,0,0,0,0|3,0,0]=4 1829 B12R0.5 CC=CCSCCCCCCOC 62a_100011998445_100000070051 [1,0,0,0,0,0|3,0,0]=4 1830 B12R0.5 CCC#CCCCCCCOCC 34a_100121572206_200000036426 [1,0,0,0,0,0|0,0,3]=4 1831 B12R0.5 CCCC/C=C/CCCCOCC 34a_200020645093_100000210202 [1,0,0,0,0,0|0,0,3]=4 1832 B12R0.5 CCCC/C=C/CCCCOCC 7a_200020645093_100000210202 [1,0,0,0,0,0|0,0,3]=4 1833 B12R0.5 CCCCC#CCCCCOCC 34a_200000066234_100000210202 [1,0,0,0,0,0|0,0,3]=4 1834 B12R0.5 CCCCC#CCCCCOCC 7a_200000066234_100000210202 [1,0,0,0,0,0|0,0,3]=4 1835 B12R0.5 CCCCC/C=C\CCCOCC 34a_100020655193_100000210202 [1,0,0,0,0,0|0,0,3]=4 1836 B12R0.5 CCCCC/C=C\CCCOCC 7a_100020655193_100000210202 [1,0,0,0,0,0|0,0,3]=4 1837 B12R0.5 CCCCCCC#CCCOCC 34a_200000033163_100000210202 [1,0,0,0,0,0|0,0,3]=4 1838 B12R0.5 CCCCCCC#CCCOCC 7a_200000033163_100000210202 [1,0,0,0,0,0|0,0,3]=4 1839 B12R0.5 CCCCCCCC#CCOCC 34a_200000061759_100000210202 [1,0,0,0,0,0|0,0,3]=4 1840 B12R0.5 CCCCCCCC#CCOCC 7a_200000061759_100000210202 [1,0,0,0,0,0|0,0,3]=4 1841 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [1,0,0,0,0,0|2,0,0]=3 1842 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [1,0,0,0,0,0|2,0,0]=3 1843 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [1,0,0,0,0,0|2,0,0]=3 1844 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [1,0,0,0,0,0|2,0,0]=3 1845 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [1,0,0,0,0,0|2,0,0]=3 1846 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [1,0,0,0,0,0|2,0,0]=3 1847 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [1,0,0,0,0,0|2,0,0]=3 1848 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [1,0,0,0,0,0|2,0,0]=3 1849 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [1,0,0,0,0,0|2,0,0]=3 1850 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [1,0,0,0,0,0|2,0,0]=3 1851 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [1,0,0,0,0,0|2,0,0]=3 1852 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [1,0,0,0,0,0|2,0,0]=3 1853 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [1,0,0,0,0,0|2,0,0]=3 1854 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [1,0,0,0,0,0|2,0,0]=3 1855 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [1,0,0,0,0,0|1,0,1]=3 1856 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [1,0,0,0,0,0|1,0,1]=3 1857 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [1,0,0,0,0,0|1,0,1]=3 1858 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [1,0,0,0,0,0|2,0,1]=4 1859 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [1,0,0,0,0,0|0,0,1]=2 1860 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [1,0,0,0,0,0|0,0,1]=2 1861 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [1,0,0,0,0,0|0,0,1]=2 1862 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [1,0,0,0,0,0|1,0,1]=3 1863 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [1,0,0,0,0,0|1,0,1]=3 1864 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [1,0,0,0,0,0|0,1,1]=3 1865 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [1,0,0,0,0,0|1,1,1]=4 1866 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [1,0,0,0,0,0|2,0,0]=3 1867 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [1,0,0,0,0,0|2,0,0]=3 1868 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [1,0,0,0,0,0|2,0,1]=4 1869 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [1,0,0,0,0,0|2,0,1]=4 1870 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [1,0,0,0,0,0|3,0,0]=4 1871 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [1,0,0,0,0,0|3,0,0]=4 1872 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [1,0,0,0,0,0|3,0,0]=4 1873 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [1,0,0,0,0,0|2,0,0]=3 1874 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [1,0,0,0,0,0|2,0,0]=3 1875 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [1,0,0,0,0,0|2,0,1]=4 1876 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [1,0,0,0,0,0|2,0,1]=4 1877 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [1,0,0,0,0,0|2,0,1]=4 1878 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [1,0,0,0,0,0|3,0,0]=4 1879 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [1,0,0,0,0,0|2,0,0]=3 1880 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [1,0,0,0,0,0|2,0,1]=4 1881 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [1,0,0,0,0,0|3,0,0]=4 1882 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [1,0,0,0,0,0|3,0,0]=4 1883 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [1,0,0,0,0,0|2,0,1]=4 1884 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [1,0,0,0,0,0|2,0,1]=4 1885 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [1,0,0,0,0,0|2,0,1]=4 1886 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [1,0,0,0,0,0|2,0,1]=4 1887 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [1,0,0,0,0,0|3,0,0]=4 1888 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [1,0,0,0,0,0|3,0,0]=4 1889 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [1,0,0,0,0,0|3,0,0]=4 1890 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [1,0,0,0,0,0|3,0,0]=4 1891 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [1,0,0,0,0,0|3,0,0]=4 1892 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [1,0,0,0,0,0|3,0,0]=4 1893 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [1,0,0,0,0,0|2,0,1]=4 1894 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [1,0,0,0,0,0|2,0,1]=4 1895 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [1,0,0,0,0,0|2,0,1]=4 1896 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [1,0,0,0,0,0|2,0,1]=4 1897 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [1,0,0,0,0,0|3,0,0]=4 1898 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [1,0,0,0,0,0|3,0,0]=4 1899 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [1,0,0,0,0,0|3,0,0]=4 1900 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [1,0,0,0,0,0|3,0,0]=4 1901 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [1,0,0,0,0,0|3,0,0]=4 1902 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [1,0,0,0,0,0|3,0,0]=4 1903 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [1,0,0,0,0,0|3,0,0]=4 1904 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [1,0,0,0,0,0|2,0,1]=4 1905 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [1,0,0,0,0,0|2,0,1]=4 1906 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [1,0,0,0,0,0|3,0,0]=4 1907 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [1,0,0,0,0,0|3,0,0]=4 1908 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [1,0,0,0,0,0|3,0,0]=4 1909 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [1,0,0,0,0,0|3,0,0]=4 1910 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [1,0,0,0,0,0|1,0,1]=3 1911 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [1,0,0,0,0,0|1,0,1]=3 1912 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [1,0,0,0,0,0|2,0,0]=3 1913 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [1,0,0,0,0,0|2,0,1]=4 1914 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [1,0,0,0,0,0|2,0,1]=4 1915 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [1,0,0,0,0,0|3,0,0]=4 1916 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [1,0,0,0,0,0|3,0,0]=4 1917 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [1,0,0,0,0,0|3,0,0]=4 1918 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [1,0,0,0,0,0|1,0,1]=3 1919 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [1,0,0,0,0,0|1,0,1]=3 1920 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [1,0,0,0,0,0|1,0,1]=3 1921 B12R0.5 CCCCCCCNCCSCC 2230a_100000106463_100000210681 [1,0,0,0,0,0|1,1,1]=4 1922 B12R0.5 CCCCCCCNCCSCC 2230a_100000229938_100000757381 [1,0,0,0,0,0|1,1,1]=4 1923 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [1,0,0,0,0,0|2,0,0]=3 1924 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [1,0,0,0,0,0|2,0,1]=4 1925 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [1,0,0,0,0,0|2,0,1]=4 1926 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [1,0,0,0,0,0|2,0,1]=4 1927 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [1,0,0,0,0,0|2,0,1]=4 1928 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [1,0,0,0,0,0|3,0,0]=4 1929 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [1,0,0,0,0,0|3,0,0]=4 1930 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [1,0,0,0,0,0|3,0,0]=4 1931 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [1,0,0,0,0,0|3,0,0]=4 1932 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [1,0,0,0,0,0|3,0,0]=4 1933 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [1,0,0,0,0,0|3,0,0]=4 1934 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [1,0,0,0,0,0|1,0,1]=3 1935 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [1,0,0,0,0,0|1,0,1]=3 1936 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [1,0,0,0,0,0|1,0,1]=3 1937 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [1,0,0,0,0,0|1,0,1]=3 1938 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [1,0,0,0,0,0|1,1,1]=4 1939 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [1,0,0,0,0,0|1,1,1]=4 1940 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [1,0,0,0,0,0|1,1,1]=4 1941 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [1,0,0,0,0,0|1,1,1]=4 1942 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [1,0,0,0,0,0|2,0,0]=3 1943 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [1,0,0,0,0,0|2,0,0]=3 1944 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [1,0,0,0,0,0|2,0,1]=4 1945 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [1,0,0,0,0,0|2,0,1]=4 1946 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [1,0,0,0,0,0|3,0,0]=4 1947 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [1,0,0,0,0,0|3,0,0]=4 1948 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [1,0,0,0,0,0|1,0,1]=3 1949 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [1,0,0,0,0,0|1,0,1]=3 1950 B12R0.5 CCCCCCCSCCSCC 62a_100000210614_100000757381 [1,0,0,0,0,0|1,1,1]=4 1951 B12R0.5 CCCCCCCSCCSCC 62a_100000757381_100000210316 [1,0,0,0,0,0|1,1,1]=4 1952 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [1,0,0,0,0,0|2,0,0]=3 1953 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [1,0,0,0,0,0|2,0,1]=4 1954 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [1,0,0,0,0,0|3,0,0]=4 1955 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [1,0,0,0,0,0|1,0,1]=3 1956 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [1,0,0,0,0,0|1,0,1]=3 1957 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [1,0,0,0,0,0|1,0,1]=3 1958 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [1,0,0,0,0,0|2,0,0]=3 1959 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [1,0,0,0,0,0|2,0,1]=4 1960 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [1,0,0,0,0,0|2,0,1]=4 1961 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [1,0,0,0,0,0|3,0,0]=4 1962 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [1,0,0,0,0,0|3,0,0]=4 1963 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [1,0,0,0,0,0|3,0,0]=4 1964 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [1,0,0,0,0,0|3,0,0]=4 1965 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [1,0,0,0,0,0|3,0,0]=4 1966 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [1,0,0,0,0,0|1,0,1]=3 1967 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [1,0,0,0,0,0|1,0,1]=3 1968 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [1,0,0,0,0,0|1,0,1]=3 1969 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [1,0,0,0,0,0|1,0,1]=3 1970 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [1,0,0,0,0,0|1,1,1]=4 1971 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [1,0,0,0,0,0|1,1,1]=4 1972 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [1,0,0,0,0,0|3,0,0]=4 1973 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [1,0,0,0,0,0|3,0,0]=4 1974 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [1,0,0,0,0,0|2,0,0]=3 1975 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [1,0,0,0,0,0|2,0,0]=3 1976 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [1,0,0,0,0,0|2,0,1]=4 1977 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [1,0,0,0,0,0|3,0,0]=4 1978 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [1,0,0,0,0,0|3,0,0]=4 1979 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [1,0,0,0,0,0|1,0,1]=3 1980 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [1,0,0,0,0,0|1,0,1]=3 1981 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [1,0,0,0,0,0|2,0,0]=3 1982 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [1,0,0,0,0,0|3,0,0]=4 1983 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [1,0,0,0,0,0|3,0,0]=4 1984 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [1,0,0,0,0,0|2,0,0]=3 1985 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [1,0,0,0,0,0|3,0,0]=4 1986 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [1,0,0,0,0,0|2,0,0]=3 1987 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [1,0,0,0,0,0|2,0,0]=3 1988 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [1,0,0,0,0,0|3,0,0]=4 1989 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [1,0,0,0,0,0|3,0,0]=4 1990 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [1,0,0,0,0,0|3,0,0]=4 1991 B12R0.5 CCCCNCCOCCOCC 2230a_100000102301_100011211534 [1,0,0,0,0,0|2,0,1]=4 1992 B12R0.5 CCCCNCCOCCOCC 2230a_100102712874_100000210211 [1,0,0,0,0,0|2,0,1]=4 1993 B12R0.5 CCCCNCCOCCOCC 34a_100102712874_100000210210 [1,0,0,0,0,0|2,0,1]=4 1994 B12R0.5 CCCCNCCOCCOCC 7a_106832991798_100011211534 [1,0,0,0,0,0|2,0,1]=4 1995 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [1,0,0,0,0,0|3,0,0]=4 1996 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [1,0,0,0,0,0|3,0,0]=4 1997 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [1,0,0,0,0,0|3,0,0]=4 1998 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [1,0,0,0,0,0|3,0,0]=4 1999 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [1,0,0,0,0,0|3,0,0]=4 2000 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [1,0,0,0,0,0|3,0,0]=4 2001 B12R0.5 CCCCOCCNCCOCC 2230a_102516460346_100000743108 [1,0,0,0,0,0|2,0,1]=4 2002 B12R0.5 CCCCOCCNCCOCC 34a_102516460346_100000743108 [1,0,0,0,0,0|2,0,1]=4 2003 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [1,0,0,0,0,0|3,0,0]=4 2004 B12R0.5 CCCCOCCOCCOCC 34a_100000210136_100000743108 [1,0,0,0,0,0|2,0,1]=4 2005 B12R0.5 CCCCOCCOCCOCC 34a_100000210227_100011211534 [1,0,0,0,0,0|2,0,1]=4 2006 B12R0.5 CCCCOCCOCCOCC 34a_100000210238_100000210147 [1,0,0,0,0,0|2,0,1]=4 2007 B12R0.5 CCCCOCCOCCOCC 34a_100000210240_100000210210 [1,0,0,0,0,0|2,0,1]=4 2008 B12R0.5 CCCCOCCOCCOCC 34a_100011215186_100000210202 [1,0,0,0,0,0|2,0,1]=4 2009 B12R0.5 CCCCOCCOCCOCC 7a_100000210136_100000743108 [1,0,0,0,0,0|2,0,1]=4 2010 B12R0.5 CCCCOCCOCCOCC 7a_100000210227_100011211534 [1,0,0,0,0,0|2,0,1]=4 2011 B12R0.5 CCCCOCCOCCOCC 7a_100000210238_100011215890 [1,0,0,0,0,0|2,0,1]=4 2012 B12R0.5 CCCCOCCOCCOCC 7a_100000210240_100000210211 [1,0,0,0,0,0|2,0,1]=4 2013 B12R0.5 CCCCOCCOCCOCC 7a_100011215186_100000210202 [1,0,0,0,0,0|2,0,1]=4 2014 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [1,0,0,0,0,0|3,0,0]=4 2015 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [1,0,0,0,0,0|3,0,0]=4 2016 B12R0.5 CCCCOCCSCCOCC 62a_100000210147_100000743108 [1,0,0,0,0,0|2,0,1]=4 2017 B12R0.5 CCCCOCCSCCOCC 62a_100000743108_100011215890 [1,0,0,0,0,0|2,0,1]=4 2018 B12R0.5 CCCCOCNCCCOCC 2230a_100000210961_100011995733 [1,0,0,0,0,0|2,0,1]=4 2019 B12R0.5 CCCCOCNCCCOCC 34a_100000210961_100011995733 [1,0,0,0,0,0|2,0,1]=4 2020 B12R0.5 CCCCOCOCCCOCC 34a_100000757476_100011995733 [1,0,0,0,0,0|2,0,1]=4 2021 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [1,0,0,0,0,0|3,0,0]=4 2022 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [1,0,0,0,0,0|3,0,0]=4 2023 B12R0.5 CCCCOCSCCCOCC 62a_100011995733_100012232248 [1,0,0,0,0,0|2,0,1]=4 2024 B12R0.5 CCCCOCSCCCOCC 62a_100012232248_100011995733 [1,0,0,0,0,0|2,0,1]=4 2025 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [1,0,0,0,0,0|3,0,0]=4 2026 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [1,0,0,0,0,0|3,0,0]=4 2027 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [1,0,0,0,0,0|3,0,0]=4 2028 B12R0.5 CCCCSCCNCCOCC 2230a_100025743550_100011215890 [1,0,0,0,0,0|2,0,1]=4 2029 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [1,0,0,0,0,0|3,0,0]=4 2030 B12R0.5 CCCCSCCOCCOCC 34a_200000230436_100000210147 [1,0,0,0,0,0|2,0,1]=4 2031 B12R0.5 CCCCSCCOCCOCC 62a_100000210211_100011211534 [1,0,0,0,0,0|2,0,1]=4 2032 B12R0.5 CCCCSCCOCCOCC 62a_100011211534_100000210210 [1,0,0,0,0,0|2,0,1]=4 2033 B12R0.5 CCCCSCCOCCOCC 7a_200000230436_100011215890 [1,0,0,0,0,0|2,0,1]=4 2034 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [1,0,0,0,0,0|3,0,0]=4 2035 B12R0.5 CCCOCCCNCCOCC 2230a_100011217757_100011215890 [1,0,0,0,0,0|2,0,1]=4 2036 B12R0.5 CCCOCCCNCCOCC 34a_100011217757_100000210147 [1,0,0,0,0,0|2,0,1]=4 2037 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [1,0,0,0,0,0|3,0,0]=4 2038 B12R0.5 CCCOCCNCCCOCC 2230a_100000210961_100011215938 [1,0,0,0,0,0|2,0,1]=4 2039 B12R0.5 CCCOCCNCCCOCC 2230a_100161115042_100012232248 [1,0,0,0,0,0|2,0,1]=4 2040 B12R0.5 CCCOCCNCCCOCC 34a_100000210961_100011215938 [1,0,0,0,0,0|2,0,1]=4 2041 B12R0.5 CCCOCCNCCCOCC 34a_100161115042_100012232248 [1,0,0,0,0,0|2,0,1]=4 2042 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [1,0,0,0,0,0|3,0,0]=4 2043 B12R0.5 CCCOCCOCCCOCC 34a_100000752267_100012232248 [1,0,0,0,0,0|2,0,1]=4 2044 B12R0.5 CCCOCCOCCCOCC 34a_100000757476_100011215938 [1,0,0,0,0,0|2,0,1]=4 2045 B12R0.5 CCCOCCOCCCOCC 7a_100000752267_100012232248 [1,0,0,0,0,0|2,0,1]=4 2046 B12R0.5 CCCOCCOCCCOCC 7a_100000757476_100011215938 [1,0,0,0,0,0|2,0,1]=4 2047 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [1,0,0,0,0,0|3,0,0]=4 2048 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [1,0,0,0,0,0|3,0,0]=4 2049 B12R0.5 CCCOCCSCCCOCC 62a_100011215938_100012232248 [1,0,0,0,0,0|2,0,1]=4 2050 B12R0.5 CCCOCCSCCCOCC 62a_100012232248_100011215938 [1,0,0,0,0,0|2,0,1]=4 2051 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [1,0,0,0,0,0|3,0,0]=4 2052 B12R0.5 CCCSCCNCCCOCC 2230a_100020603323_100012232248 [1,0,0,0,0,0|2,0,1]=4 2053 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [1,0,0,0,0,0|3,0,0]=4 2054 B12R0.5 CCCSCCOCCCOCC 34a_200000230433_100012232248 [1,0,0,0,0,0|2,0,1]=4 2055 B12R0.5 CCCSCCOCCCOCC 7a_200000230433_100012232248 [1,0,0,0,0,0|2,0,1]=4 2056 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [1,0,0,0,0,0|2,0,1]=4 2057 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [1,0,0,0,0,0|2,0,1]=4 2058 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [1,0,0,0,0,0|2,0,1]=4 2059 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [1,0,0,0,0,0|1,0,1]=3 2060 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [1,0,0,0,0,0|1,0,1]=3 2061 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [1,0,0,0,0,0|1,0,1]=3 2062 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [1,0,0,0,0,0|1,0,1]=3 2063 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [1,0,0,0,0,0|1,0,1]=3 2064 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [1,0,0,0,0,0|1,0,1]=3 2065 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [1,0,0,0,0,0|3,0,0]=4 2066 B12R0.5 CCOCCCNCCCCCF 2230a_100000210961_100000729378 [1,0,0,0,0,0|2,0,1]=4 2067 B12R0.5 CCOCCCNCCCCCF 34a_100000210961_100000729378 [1,0,0,0,0,0|2,0,1]=4 2068 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [1,0,0,0,0,0|2,0,1]=4 2069 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [1,0,0,0,0,0|2,0,1]=4 2070 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [1,0,0,0,0,0|2,0,1]=4 2071 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [1,0,0,0,0,0|2,0,1]=4 2072 B12R0.5 CCOCCCNCCCCOC 2230a_100000210961_100000730899 [1,0,0,0,0,0|2,0,1]=4 2073 B12R0.5 CCOCCCNCCCCOC 34a_100000210961_100000755781 [1,0,0,0,0,0|2,0,1]=4 2074 B12R0.5 CCOCCCNCCCOCC 2230a_100000210961_100012232248 [1,0,0,0,0,0|2,0,1]=4 2075 B12R0.5 CCOCCCNCCCOCC 34a_100000210961_100012232248 [1,0,0,0,0,0|2,0,1]=4 2076 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [1,0,0,0,0,0|3,0,0]=4 2077 B12R0.5 CCOCCCOCCCCCBr 34a_100000746331_100012232248 [1,0,0,0,0,0|2,0,1]=4 2078 B12R0.5 CCOCCCOCCCCCBr 7a_100000746331_100012232248 [1,0,0,0,0,0|2,0,1]=4 2079 B12R0.5 CCOCCCOCCCCCCl 34a_100000746330_100012232248 [1,0,0,0,0,0|2,0,1]=4 2080 B12R0.5 CCOCCCOCCCCCCl 7a_100000746330_100012232248 [1,0,0,0,0,0|2,0,1]=4 2081 B12R0.5 CCOCCCOCCCCCF 34a_100000757476_100000729378 [1,0,0,0,0,0|2,0,1]=4 2082 B12R0.5 CCOCCCOCCCCCF 7a_100000757476_100000729378 [1,0,0,0,0,0|2,0,1]=4 2083 B12R0.5 CCOCCCOCCCCCI 34a_200012148887_100012232248 [1,0,0,0,0,0|2,0,1]=4 2084 B12R0.5 CCOCCCOCCCCCI 7a_200012148887_100012232248 [1,0,0,0,0,0|2,0,1]=4 2085 B12R0.5 CCOCCCOCCCCCN 34a_100000762737_100012232248 [1,0,0,0,0,0|2,0,1]=4 2086 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [1,0,0,0,0,0|2,0,1]=4 2087 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [1,0,0,0,0,0|2,0,1]=4 2088 B12R0.5 CCOCCCOCCCCOC 34a_100000740925_100012232248 [1,0,0,0,0,0|2,0,1]=4 2089 B12R0.5 CCOCCCOCCCCOC 34a_100000757476_100000755781 [1,0,0,0,0,0|2,0,1]=4 2090 B12R0.5 CCOCCCOCCCCOC 7a_100000757476_100000730899 [1,0,0,0,0,0|2,0,1]=4 2091 B12R0.5 CCOCCCOCCCCSC 34a_100011217163_100012232248 [1,0,0,0,0,0|2,0,1]=4 2092 B12R0.5 CCOCCCOCCCCSC 7a_100011217163_100012232248 [1,0,0,0,0,0|2,0,1]=4 2093 B12R0.5 CCOCCCOCCCOCC 34a_100000757476_100012232248 [1,0,0,0,0,0|2,0,1]=4 2094 B12R0.5 CCOCCCOCCCOCC 7a_100000757476_100012232248 [1,0,0,0,0,0|2,0,1]=4 2095 B12R0.5 CCOCCCOCCCSCC 34a_100011216438_100012232248 [1,0,0,0,0,0|2,0,1]=4 2096 B12R0.5 CCOCCCOCCCSCC 7a_100011216438_100012232248 [1,0,0,0,0,0|2,0,1]=4 2097 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [1,0,0,0,0,0|3,0,0]=4 2098 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [1,0,0,0,0,0|3,0,0]=4 2099 B12R0.5 CCOCCCSCCCCCF 62a_100000729378_100012232248 [1,0,0,0,0,0|2,0,1]=4 2100 B12R0.5 CCOCCCSCCCCCF 62a_100012232248_100000729378 [1,0,0,0,0,0|2,0,1]=4 2101 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [1,0,0,0,0,0|2,0,1]=4 2102 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [1,0,0,0,0,0|2,0,1]=4 2103 B12R0.5 CCOCCCSCCCCOC 62a_100000730899_100012232248 [1,0,0,0,0,0|2,0,1]=4 2104 B12R0.5 CCOCCCSCCCCOC 62a_100012232248_100000730899 [1,0,0,0,0,0|2,0,1]=4 2105 B12R0.5 CCOCCCSCCCOCC 62a_100012232248_100012232248 [1,0,0,0,0,0|2,0,1]=4 2106 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [1,0,0,0,0,0|3,0,0]=4 2107 B12R0.5 CCOCCNCCCCCCF 2230a_102516460346_100015922095 [1,0,0,0,0,0|2,0,1]=4 2108 B12R0.5 CCOCCNCCCCCCF 34a_102516460346_100015922095 [1,0,0,0,0,0|2,0,1]=4 2109 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [1,0,0,0,0,0|2,0,1]=4 2110 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [1,0,0,0,0,0|2,0,1]=4 2111 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [1,0,0,0,0,0|2,0,1]=4 2112 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [1,0,0,0,0,0|2,0,1]=4 2113 B12R0.5 CCOCCNCCCCCOC 2230a_100000747528_100011215890 [1,0,0,0,0,0|2,0,1]=4 2114 B12R0.5 CCOCCNCCCCCOC 34a_100000747528_100000210147 [1,0,0,0,0,0|2,0,1]=4 2115 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [1,0,0,0,0,0|3,0,0]=4 2116 B12R0.5 CCOCCOCCCCCCBr 34a_100011215345_100000210147 [1,0,0,0,0,0|2,0,1]=4 2117 B12R0.5 CCOCCOCCCCCCBr 7a_100011215345_100011215890 [1,0,0,0,0,0|2,0,1]=4 2118 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [1,0,0,0,0,0|2,0,1]=4 2119 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [1,0,0,0,0,0|2,0,1]=4 2120 B12R0.5 CCOCCOCCCCCCF 34a_100000210136_100015922095 [1,0,0,0,0,0|2,0,1]=4 2121 B12R0.5 CCOCCOCCCCCCF 34a_100000732779_100000210147 [1,0,0,0,0,0|2,0,1]=4 2122 B12R0.5 CCOCCOCCCCCCF 7a_100000210136_100015922095 [1,0,0,0,0,0|2,0,1]=4 2123 B12R0.5 CCOCCOCCCCCCF 7a_100000732779_100011215890 [1,0,0,0,0,0|2,0,1]=4 2124 B12R0.5 CCOCCOCCCCCCN 34a_100000686447_100000210147 [1,0,0,0,0,0|2,0,1]=4 2125 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [1,0,0,0,0,0|2,0,1]=4 2126 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [1,0,0,0,0,0|2,0,1]=4 2127 B12R0.5 CCOCCOCCCCCNC 34a_100000722520_100000210147 [1,0,0,0,0,0|2,0,1]=4 2128 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [1,0,0,0,0,0|3,0,0]=4 2129 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [1,0,0,0,0,0|3,0,0]=4 2130 B12R0.5 CCOCCSCCCCCCF 62a_100000210147_100015922095 [1,0,0,0,0,0|2,0,1]=4 2131 B12R0.5 CCOCCSCCCCCCF 62a_100015922095_100011215890 [1,0,0,0,0,0|2,0,1]=4 2132 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [1,0,0,0,0,0|2,0,1]=4 2133 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [1,0,0,0,0,0|2,0,1]=4 2134 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [1,0,0,0,0,0|2,0,1]=4 2135 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [1,0,0,0,0,0|2,0,1]=4 2136 B12R0.5 CCOCSCCCCCCOC 62a_100000739092_100011998445 [1,0,0,0,0,0|2,0,1]=4 2137 B12R0.5 CCOCSCCCCCCOC 62a_100011998445_100000739092 [1,0,0,0,0,0|2,0,1]=4 2138 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [1,0,0,0,0,0|1,1,1]=4 2139 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [1,0,0,0,0,0|1,1,1]=4 2140 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [1,0,0,0,0,0|3,0,0]=4 2141 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [1,0,0,0,0,0|3,0,0]=4 2142 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [1,0,0,0,0,0|3,0,0]=4 2143 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [1,0,0,0,0,0|3,0,0]=4 2144 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [1,0,0,0,0,0|3,0,0]=4 2145 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [1,0,0,0,0,0|3,0,0]=4 2146 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [1,0,0,0,0,0|3,0,0]=4 2147 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [1,0,0,0,0,0|3,0,0]=4 2148 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [1,0,0,0,0,0|3,0,0]=4 2149 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [1,0,0,0,0,0|3,0,0]=4 2150 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [1,0,0,0,0,0|3,0,0]=4 2151 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [1,0,0,0,0,0|3,0,0]=4 2152 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [1,0,0,0,0,0|3,0,0]=4 2153 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [1,0,0,0,0,0|3,0,0]=4 2154 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [1,0,0,0,0,0|3,0,0]=4 2155 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [1,0,0,0,0,0|3,0,0]=4 2156 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [1,0,0,0,0,0|3,0,0]=4 2157 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [1,0,0,0,0,0|3,0,0]=4 2158 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [1,0,0,0,0,0|3,0,0]=4 2159 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [1,0,0,0,0,0|3,0,0]=4 2160 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [1,0,0,0,0,0|3,0,0]=4 2161 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [1,0,0,0,0,0|3,0,0]=4 2162 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [1,0,0,0,0,0|3,0,0]=4 2163 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [1,0,0,0,0,0|3,0,0]=4 2164 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [1,0,0,0,0,0|3,0,0]=4 2165 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [1,0,0,0,0,0|3,0,0]=4 2166 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [1,0,0,0,0,0|2,0,1]=4 2167 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [1,0,0,0,0,0|2,0,1]=4 2168 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [1,0,0,0,0,0|2,0,1]=4 2169 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [1,0,0,0,0,0|2,0,1]=4 2170 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [1,0,0,0,0,0|2,0,1]=4 2171 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [1,0,0,0,0,0|3,0,0]=4 2172 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [1,0,0,0,0,0|3,0,0]=4 2173 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [1,0,0,0,0,0|3,0,0]=4 2174 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [1,0,0,0,0,0|3,0,0]=4 2175 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [1,0,0,0,0,0|3,0,0]=4 2176 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [1,0,0,0,0,0|3,0,0]=4 2177 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [1,0,0,0,0,0|3,0,0]=4 2178 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [1,0,0,0,0,0|3,0,0]=4 2179 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [1,0,0,0,0,0|3,0,0]=4 2180 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [1,0,0,0,0,0|3,0,0]=4 2181 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [1,0,0,0,0,0|3,0,0]=4 2182 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [1,0,0,0,0,0|3,0,0]=4 2183 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [1,0,0,0,0,0|3,0,0]=4 2184 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [1,0,0,0,0,0|3,0,0]=4 2185 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [1,0,0,0,0,0|3,0,0]=4 2186 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [1,0,0,0,0,0|3,0,0]=4 2187 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [1,0,0,0,0,0|3,0,0]=4 2188 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [1,0,0,0,0,0|3,0,0]=4 2189 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [1,0,0,0,0,0|3,0,0]=4 2190 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [1,0,0,0,0,0|3,0,0]=4 2191 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [1,0,0,0,0,0|3,0,0]=4 2192 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [1,0,0,0,0,0|3,0,0]=4 2193 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [1,0,0,0,0,0|3,0,0]=4 2194 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [1,0,0,0,0,0|3,0,0]=4 2195 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [1,0,0,0,0,0|3,0,0]=4 2196 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [1,0,0,0,0,0|3,0,0]=4 2197 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [1,0,0,0,0,0|3,0,0]=4 2198 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [1,0,0,0,0,0|3,0,0]=4 2199 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [1,0,0,0,0,0|3,0,0]=4 2200 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [1,0,0,0,0,0|3,0,0]=4 2201 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [1,0,0,0,0,0|3,0,0]=4 2202 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [1,0,0,0,0,0|3,0,0]=4 2203 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [1,0,0,0,0,0|3,0,0]=4 2204 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [1,0,0,0,0,0|3,0,0]=4 2205 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [1,0,0,0,0,0|3,0,0]=4 2206 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [1,0,0,0,0,0|3,0,0]=4 2207 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [1,0,0,0,0,0|3,0,0]=4 2208 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [1,0,0,0,0,0|3,0,0]=4 2209 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [1,0,0,0,0,0|3,0,0]=4 2210 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [1,0,0,0,0,0|3,0,0]=4 2211 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [1,0,0,0,0,0|3,0,0]=4 2212 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [1,0,0,0,0,0|0,0,2]=3 2213 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [1,0,0,0,0,0|0,0,2]=3 2214 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [1,0,0,0,0,0|1,0,2]=4 2215 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [1,0,0,0,0,0|1,0,2]=4 2216 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [1,0,0,0,0,0|1,0,2]=4 2217 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [1,0,0,0,0,0|1,0,2]=4 2218 B12R0.234 C#CCCCCCOCOC(=O)C 34a_100000766912_100009813279 [1,0,0,0,0,0|1,0,2]=4 2219 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [1,0,0,0,0,0|1,0,2]=4 2220 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [1,0,0,0,0,0|1,0,2]=4 2221 B12R0.234 C#CCCCCCSCOC(=O)C 62a_100000076356_100012094781 [1,0,0,0,0,0|1,0,2]=4 2222 B12R0.234 C#CCCCCCSCOC(=O)C 62a_100012094781_100000076356 [1,0,0,0,0,0|1,0,2]=4 2223 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [1,0,0,0,0,0|1,0,2]=4 2224 B12R0.234 C#CCCCCNCCOC(=O)C 34a_100000706060_100009814007 [1,0,0,0,0,0|1,0,2]=4 2225 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [1,0,0,0,0,0|1,0,2]=4 2226 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [1,0,0,0,0,0|1,0,2]=4 2227 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [1,0,0,0,0,0|1,0,2]=4 2228 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [1,0,0,0,0,0|1,0,2]=4 2229 B12R0.234 C#CCCCCOCCOC(=O)C 34a_100000766709_100009814007 [1,0,0,0,0,0|1,0,2]=4 2230 B12R0.234 C#CCCCCOCCOC(=O)C 7a_100000766709_100009814007 [1,0,0,0,0,0|1,0,2]=4 2231 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [1,0,0,0,0,0|1,0,2]=4 2232 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [1,0,0,0,0,0|1,0,2]=4 2233 B12R0.234 C#CCCCCSCCOC(=O)C 62a_100009814007_100010269958 [1,0,0,0,0,0|1,0,2]=4 2234 B12R0.234 C#CCCCCSCCOC(=O)C 62a_100010269958_100009814007 [1,0,0,0,0,0|1,0,2]=4 2235 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [1,0,0,0,0,0|1,0,2]=4 2236 B12R0.234 C#CCCCNCCCOC(=O)C 34a_100000718082_100000042594 [1,0,0,0,0,0|1,0,2]=4 2237 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [1,0,0,0,0,0|1,0,2]=4 2238 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [1,0,0,0,0,0|1,0,2]=4 2239 B12R0.234 C#CCCCOCCCOC(=O)C 34a_100000215630_100000042594 [1,0,0,0,0,0|1,0,2]=4 2240 B12R0.234 C#CCCCOCCCOC(=O)C 7a_100000215630_100000042594 [1,0,0,0,0,0|1,0,2]=4 2241 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [1,0,0,0,0,0|1,0,2]=4 2242 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [1,0,0,0,0,0|1,0,2]=4 2243 B12R0.234 C#CCCCSCCCOC(=O)C 62a_100000042594_100011215417 [1,0,0,0,0,0|1,0,2]=4 2244 B12R0.234 C#CCCCSCCCOC(=O)C 62a_100011215417_100000042594 [1,0,0,0,0,0|1,0,2]=4 2245 B12R0.234 C#CCCNCCCCOC(=O)C 34a_100000755551_100000033659 [1,0,0,0,0,0|1,0,2]=4 2246 B12R0.234 C#CCCOCCCCOC(=O)C 34a_100000073216_100000688953 [1,0,0,0,0,0|1,0,2]=4 2247 B12R0.234 C#CCCOCCCCOC(=O)C 34a_100011215631_100000033659 [1,0,0,0,0,0|1,0,2]=4 2248 B12R0.234 C#CCCOCCCCOC(=O)C 7a_100000073216_100000688953 [1,0,0,0,0,0|1,0,2]=4 2249 B12R0.234 C#CCCSCCCCOC(=O)C 62a_100000033659_100000688953 [1,0,0,0,0,0|1,0,2]=4 2250 B12R0.234 C#CCCSCCCCOC(=O)C 62a_100000688953_100000033659 [1,0,0,0,0,0|1,0,2]=4 2251 B12R0.234 C#CCNCCCCCOC(=O)C 34a_100000212058_100000033007 [1,0,0,0,0,0|1,0,2]=4 2252 B12R0.234 C#CCOCCCCCOC(=O)C 34a_100000210247_100000033007 [1,0,0,0,0,0|1,0,2]=4 2253 B12R0.234 C#CCSCCCCCOC(=O)C 62a_100000038162_100000033007 [1,0,0,0,0,0|1,0,2]=4 2254 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [1,0,0,0,0,0|1,0,2]=4 2255 B12R0.234 C/C=C/CCOCCCOC(=O)C 34a_100016278192_100000042594 [1,0,0,0,0,0|1,0,2]=4 2256 B12R0.234 C/C=C/COCCCCOC(=O)C 34a_100000073216_100102629194 [1,0,0,0,0,0|1,0,2]=4 2257 B12R0.234 C/C=C/COCCCCOC(=O)C 34a_100016270725_100000033659 [1,0,0,0,0,0|1,0,2]=4 2258 B12R0.234 C/C=C/COCCCCOC(=O)C 7a_100000073216_100102629194 [1,0,0,0,0,0|1,0,2]=4 2259 B12R0.234 C/C=C/CSCCCCOC(=O)C 62a_100000033659_100102629194 [1,0,0,0,0,0|1,0,2]=4 2260 B12R0.234 C/C=C/CSCCCCOC(=O)C 62a_100102629194_100000033659 [1,0,0,0,0,0|1,0,2]=4 2261 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [1,0,0,0,0,0|2,0,1]=4 2262 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [1,0,0,0,0,0|2,0,0]=3 2263 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [1,0,0,0,0,0|3,0,0]=4 2264 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [1,0,0,0,0,0|3,0,0]=4 2265 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [1,0,0,0,0,0|3,0,0]=4 2266 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [1,0,0,0,0,0|3,0,0]=4 2267 B12R0.234 C=C(C)CCNCCCOCCC 2230a_100011217757_100000730704 [1,0,0,0,0,0|3,0,0]=4 2268 B12R0.234 C=C(C)CCNCCCOCCC 34a_100011217757_100000730704 [1,0,0,0,0,0|3,0,0]=4 2269 B12R0.234 C=C(C)CCNCCSCCCC 2230a_100025743550_100000730704 [1,0,0,0,0,0|3,0,0]=4 2270 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [1,0,0,0,0,0|3,0,0]=4 2271 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [1,0,0,0,0,0|3,0,0]=4 2272 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [1,0,0,0,0,0|2,0,0]=3 2273 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [1,0,0,0,0,0|2,0,0]=3 2274 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [1,0,0,0,0,0|2,0,0]=3 2275 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [1,0,0,0,0,0|3,0,0]=4 2276 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [1,0,0,0,0,0|3,0,0]=4 2277 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [1,0,0,0,0,0|3,0,0]=4 2278 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [1,0,0,0,0,0|3,0,0]=4 2279 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [1,0,0,0,0,0|3,0,0]=4 2280 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [1,0,0,0,0,0|3,0,0]=4 2281 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [1,0,0,0,0,0|3,0,0]=4 2282 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [1,0,0,0,0,0|3,0,0]=4 2283 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000210238_100000730704 [1,0,0,0,0,0|3,0,0]=4 2284 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000764851_100000743108 [1,0,0,0,0,0|3,0,0]=4 2285 B12R0.234 C=C(C)CCOCCOCCCC 7a_100000210238_100000730704 [1,0,0,0,0,0|3,0,0]=4 2286 B12R0.234 C=C(C)CCOCCSCCCC 34a_200000230436_100000730704 [1,0,0,0,0,0|3,0,0]=4 2287 B12R0.234 C=C(C)CCOCCSCCCC 7a_200000230436_100000730704 [1,0,0,0,0,0|3,0,0]=4 2288 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [1,0,0,0,0,0|2,0,0]=3 2289 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [1,0,0,0,0,0|2,0,0]=3 2290 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [1,0,0,0,0,0|3,0,0]=4 2291 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [1,0,0,0,0,0|3,0,0]=4 2292 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [1,0,0,0,0,0|3,0,0]=4 2293 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [1,0,0,0,0,0|3,0,0]=4 2294 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000730704_100000743108 [1,0,0,0,0,0|3,0,0]=4 2295 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000743108_100000730704 [1,0,0,0,0,0|3,0,0]=4 2296 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [1,0,0,0,0,0|2,0,0]=3 2297 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [1,0,0,0,0,0|2,0,0]=3 2298 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [1,0,0,0,0,0|3,0,0]=4 2299 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [1,0,0,0,0,0|3,0,0]=4 2300 B12R0.234 C=C(C)CNCCCOCCCC 2230a_200000211371_100000748629 [1,0,0,0,0,0|3,0,0]=4 2301 B12R0.234 C=C(C)CNCCCOCCCC 34a_200000211371_100000748629 [1,0,0,0,0,0|3,0,0]=4 2302 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [1,0,0,0,0,0|3,0,0]=4 2303 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [1,0,0,0,0,0|3,0,0]=4 2304 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [1,0,0,0,0,0|2,0,0]=3 2305 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [1,0,0,0,0,0|2,0,0]=3 2306 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [1,0,0,0,0,0|2,0,0]=3 2307 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [1,0,0,0,0,0|3,0,0]=4 2308 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [1,0,0,0,0,0|3,0,0]=4 2309 B12R0.234 C=C(C)COCCCCCCOC 34a_100000210245_100011998445 [1,0,0,0,0,0|3,0,0]=4 2310 B12R0.234 C=C(C)COCCCCCCOC 34a_200012092642_100000748629 [1,0,0,0,0,0|3,0,0]=4 2311 B12R0.234 C=C(C)COCCCCCCOC 7a_200012092642_100000748629 [1,0,0,0,0,0|3,0,0]=4 2312 B12R0.234 C=C(C)COCCCOCCCC 34a_200011215613_100000748629 [1,0,0,0,0,0|3,0,0]=4 2313 B12R0.234 C=C(C)COCCCOCCCC 7a_200011215613_100000748629 [1,0,0,0,0,0|3,0,0]=4 2314 B12R0.234 C=C(C)COCCNCCCCC 34a_100000224656_100000748629 [1,0,0,0,0,0|3,0,0]=4 2315 B12R0.234 C=C(C)COCCOCCCCC 34a_100011215259_100000748629 [1,0,0,0,0,0|3,0,0]=4 2316 B12R0.234 C=C(C)COCCOCCCCC 7a_100011215259_100000748629 [1,0,0,0,0,0|3,0,0]=4 2317 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [1,0,0,0,0,0|2,0,0]=3 2318 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [1,0,0,0,0,0|2,0,0]=3 2319 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [1,0,0,0,0,0|3,0,0]=4 2320 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [1,0,0,0,0,0|3,0,0]=4 2321 B12R0.234 C=C(C)CSCCCCCCOC 62a_100000748629_100011998445 [1,0,0,0,0,0|3,0,0]=4 2322 B12R0.234 C=C(C)CSCCCCCCOC 62a_100011998445_100000211660 [1,0,0,0,0,0|3,0,0]=4 2323 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [1,0,0,0,0,0|2,0,1]=4 2324 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [1,0,0,0,0,0|2,0,1]=4 2325 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [1,0,0,0,0,0|2,0,1]=4 2326 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [1,0,0,0,0,0|2,0,1]=4 2327 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [1,0,0,0,0,0|2,0,1]=4 2328 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [1,0,0,0,0,0|2,0,1]=4 2329 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [1,0,0,0,0,0|2,0,1]=4 2330 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [1,0,0,0,0,0|0,0,2]=3 2331 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [1,0,0,0,0,0|0,0,2]=3 2332 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [1,0,0,0,0,0|0,0,2]=3 2333 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [1,0,0,0,0,0|1,0,2]=4 2334 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [1,0,0,0,0,0|1,0,2]=4 2335 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [1,0,0,0,0,0|1,0,2]=4 2336 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [1,0,0,0,0,0|1,0,2]=4 2337 B12R0.234 C=CCCCCCOCOC(=O)C 34a_100011216702_100009813279 [1,0,0,0,0,0|1,0,2]=4 2338 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [1,0,0,0,0,0|1,0,2]=4 2339 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [1,0,0,0,0,0|1,0,2]=4 2340 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000076356_100000700193 [1,0,0,0,0,0|1,0,2]=4 2341 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000700193_100000076356 [1,0,0,0,0,0|1,0,2]=4 2342 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [1,0,0,0,0,0|1,0,2]=4 2343 B12R0.234 C=CCCCCNCCOC(=O)C 34a_100000703577_100009814007 [1,0,0,0,0,0|1,0,2]=4 2344 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [1,0,0,0,0,0|1,0,2]=4 2345 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [1,0,0,0,0,0|1,0,2]=4 2346 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [1,0,0,0,0,0|1,0,2]=4 2347 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [1,0,0,0,0,0|1,0,2]=4 2348 B12R0.234 C=CCCCCOCCOC(=O)C 34a_100000766645_100009814007 [1,0,0,0,0,0|1,0,2]=4 2349 B12R0.234 C=CCCCCOCCOC(=O)C 7a_100000766645_100009814007 [1,0,0,0,0,0|1,0,2]=4 2350 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [1,0,0,0,0,0|1,0,2]=4 2351 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [1,0,0,0,0,0|1,0,2]=4 2352 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100009814007_100011215482 [1,0,0,0,0,0|1,0,2]=4 2353 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100011215482_100009814007 [1,0,0,0,0,0|1,0,2]=4 2354 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [1,0,0,0,0,0|1,0,2]=4 2355 B12R0.234 C=CCCCNCCCOC(=O)C 34a_100000700776_100000042594 [1,0,0,0,0,0|1,0,2]=4 2356 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [1,0,0,0,0,0|1,0,2]=4 2357 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [1,0,0,0,0,0|1,0,2]=4 2358 B12R0.234 C=CCCCOCCCOC(=O)C 34a_100000758997_100000042594 [1,0,0,0,0,0|1,0,2]=4 2359 B12R0.234 C=CCCCOCCCOC(=O)C 7a_100000758997_100000042594 [1,0,0,0,0,0|1,0,2]=4 2360 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [1,0,0,0,0,0|1,0,2]=4 2361 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [1,0,0,0,0,0|1,0,2]=4 2362 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100000042594_100000757094 [1,0,0,0,0,0|1,0,2]=4 2363 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100011713584_100000042594 [1,0,0,0,0,0|1,0,2]=4 2364 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100000073216_100000754431 [1,0,0,0,0,0|1,0,2]=4 2365 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100011205117_100000033659 [1,0,0,0,0,0|1,0,2]=4 2366 B12R0.234 C=CCCOCCCCOC(=O)C 7a_100000073216_100000754431 [1,0,0,0,0,0|1,0,2]=4 2367 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000033659_100000754431 [1,0,0,0,0,0|1,0,2]=4 2368 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000754431_100000033659 [1,0,0,0,0,0|1,0,2]=4 2369 B12R0.234 C=CCNCCCCCOC(=O)C 2230a_100020586998_100009813381 [1,0,0,0,0,0|1,0,2]=4 2370 B12R0.234 C=CCOCCCCCOC(=O)C 34a_200000210373_100000033007 [1,0,0,0,0,0|1,0,2]=4 2371 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000033007_100000210623 [1,0,0,0,0,0|1,0,2]=4 2372 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000210623_100000033007 [1,0,0,0,0,0|1,0,2]=4 2373 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [1,0,0,0,0,0|0,0,2]=3 2374 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [1,0,0,0,0,0|0,0,2]=3 2375 B12R0.234 CC#CCCOCCCCC(=O)C 34a_100000750427_100009817362 [1,0,0,0,0,0|1,0,2]=4 2376 B12R0.234 CC#CCCOCCCOC(=O)C 34a_100000750427_100000042594 [1,0,0,0,0,0|1,0,2]=4 2377 B12R0.234 CC#CCNCCCCOC(=O)C 34a_100000685387_100000033659 [1,0,0,0,0,0|1,0,2]=4 2378 B12R0.234 CC#CCOCCCCOC(=O)C 34a_100000073216_100000748600 [1,0,0,0,0,0|1,0,2]=4 2379 B12R0.234 CC#CCOCCCCOC(=O)C 34a_100000761923_100000033659 [1,0,0,0,0,0|1,0,2]=4 2380 B12R0.234 CC#CCOCCCCOC(=O)C 7a_100000073216_100000748600 [1,0,0,0,0,0|1,0,2]=4 2381 B12R0.234 CC#CCSCCCCOC(=O)C 62a_100000033659_100000748600 [1,0,0,0,0,0|1,0,2]=4 2382 B12R0.234 CC#CCSCCCCOC(=O)C 62a_100000748600_100000033659 [1,0,0,0,0,0|1,0,2]=4 2383 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [1,0,0,0,0,0|1,0,0]=2 2384 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [1,0,0,0,0,0|1,0,0]=2 2385 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [1,0,0,0,0,0|2,0,0]=3 2386 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [1,0,0,0,0,0|2,0,0]=3 2387 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [1,0,0,0,0,0|2,0,0]=3 2388 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [1,0,0,0,0,0|2,0,0]=3 2389 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [1,0,0,0,0,0|2,0,0]=3 2390 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [1,0,0,0,0,0|2,0,0]=3 2391 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [1,0,0,0,0,0|2,0,0]=3 2392 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [1,0,0,0,0,0|2,0,0]=3 2393 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [1,0,0,0,0,0|2,0,1]=4 2394 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [1,0,0,0,0,0|2,0,1]=4 2395 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [1,0,0,0,0,0|2,0,1]=4 2396 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [1,0,0,0,0,0|2,0,1]=4 2397 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [1,0,0,0,0,0|2,0,0]=3 2398 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [1,0,0,0,0,0|2,0,0]=3 2399 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [1,0,0,0,0,0|2,0,0]=3 2400 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [1,0,0,0,0,0|2,0,0]=3 2401 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [1,0,0,0,0,0|2,0,0]=3 2402 B12R0.234 CC(=O)CCCNCCOCCO 34a_100000211614_100000685027 [1,0,0,0,0,0|3,0,0]=4 2403 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [1,0,0,0,0,0|2,0,1]=4 2404 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [1,0,0,0,0,0|2,0,1]=4 2405 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [1,0,0,0,0,0|2,0,0]=3 2406 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [1,0,0,0,0,0|2,0,0]=3 2407 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [1,0,0,0,0,0|2,0,0]=3 2408 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [1,0,0,0,0,0|2,0,0]=3 2409 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [1,0,0,0,0,0|2,0,0]=3 2410 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [1,0,0,0,0,0|2,0,0]=3 2411 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [1,0,0,0,0,0|2,0,0]=3 2412 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [1,0,0,0,0,0|2,0,0]=3 2413 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [1,0,0,0,0,0|2,0,0]=3 2414 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [1,0,0,0,0,0|2,0,0]=3 2415 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [1,0,0,0,0,0|2,0,0]=3 2416 B12R0.234 CC(=O)CCCOCCOCCBr 34a_100000692535_100000685027 [1,0,0,0,0,0|3,0,0]=4 2417 B12R0.234 CC(=O)CCCOCCOCCBr 7a_100000692535_100011215641 [1,0,0,0,0,0|3,0,0]=4 2418 B12R0.234 CC(=O)CCCOCCOCCCl 34a_100011215305_100000685027 [1,0,0,0,0,0|3,0,0]=4 2419 B12R0.234 CC(=O)CCCOCCOCCCl 7a_100011215305_100011215641 [1,0,0,0,0,0|3,0,0]=4 2420 B12R0.234 CC(=O)CCCOCCOCCF 34a_200015357709_100000685027 [1,0,0,0,0,0|3,0,0]=4 2421 B12R0.234 CC(=O)CCCOCCOCCF 7a_200015357709_100011215641 [1,0,0,0,0,0|3,0,0]=4 2422 B12R0.234 CC(=O)CCCOCCOCCI 34a_100012149058_100000685027 [1,0,0,0,0,0|3,0,0]=4 2423 B12R0.234 CC(=O)CCCOCCOCCI 7a_100012149058_100011215641 [1,0,0,0,0,0|3,0,0]=4 2424 B12R0.234 CC(=O)CCCOCCOCCN 34a_100000211614_100000685027 [1,0,0,0,0,0|3,0,0]=4 2425 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [1,0,0,0,0,0|3,0,0]=4 2426 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [1,0,0,0,0,0|3,0,0]=4 2427 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [1,0,0,0,0,0|2,0,1]=4 2428 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [1,0,0,0,0,0|2,0,1]=4 2429 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [1,0,0,0,0,0|2,0,1]=4 2430 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [1,0,0,0,0,0|2,0,1]=4 2431 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [1,0,0,0,0,0|2,0,0]=3 2432 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [1,0,0,0,0,0|2,0,0]=3 2433 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [1,0,0,0,0,0|2,0,0]=3 2434 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [1,0,0,0,0,0|2,0,0]=3 2435 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215305_100011215641 [1,0,0,0,0,0|3,0,0]=4 2436 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215641_100011215305 [1,0,0,0,0,0|3,0,0]=4 2437 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [1,0,0,0,0,0|2,0,1]=4 2438 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [1,0,0,0,0,0|2,0,1]=4 2439 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [1,0,0,0,0,0|2,0,0]=3 2440 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [1,0,0,0,0,0|2,0,0]=3 2441 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [1,0,0,0,0,0|2,0,0]=3 2442 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [1,0,0,0,0,0|2,0,0]=3 2443 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [1,0,0,0,0,0|2,0,0]=3 2444 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [1,0,0,0,0,0|2,0,0]=3 2445 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [1,0,0,0,0,0|2,0,0]=3 2446 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [1,0,0,0,0,0|2,0,1]=4 2447 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [1,0,0,0,0,0|2,0,1]=4 2448 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [1,0,0,0,0,0|2,0,1]=4 2449 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [1,0,0,0,0,0|2,0,1]=4 2450 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [1,0,0,0,0,0|2,0,0]=3 2451 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [1,0,0,0,0,0|2,0,0]=3 2452 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [1,0,0,0,0,0|2,0,0]=3 2453 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [1,0,0,0,0,0|2,0,0]=3 2454 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [1,0,0,0,0,0|2,0,0]=3 2455 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [1,0,0,0,0,0|2,0,0]=3 2456 B12R0.234 CC(=O)NCCCCCCNCF 34a_200011996284_100015361967 [1,0,0,0,0,0|3,0,0]=4 2457 B12R0.234 CC(=O)NCCCCCNCCF 2230a_200012022750_100011217306 [1,0,0,0,0,0|3,0,0]=4 2458 B12R0.234 CC(=O)NCCCCCNCCF 34a_200012022750_100011217306 [1,0,0,0,0,0|3,0,0]=4 2459 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [1,0,0,0,0,0|3,0,0]=4 2460 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [1,0,0,0,0,0|3,0,0]=4 2461 B12R0.234 CC(=O)NCCCCNCCCF 2230a_200011368371_100011934791 [1,0,0,0,0,0|3,0,0]=4 2462 B12R0.234 CC(=O)NCCCCNCCCF 34a_200011368371_100011934791 [1,0,0,0,0,0|3,0,0]=4 2463 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [1,0,0,0,0,0|3,0,0]=4 2464 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [1,0,0,0,0,0|3,0,0]=4 2465 B12R0.234 CC(=O)NCCCNCCCCF 34a_100000736810_100000729493 [1,0,0,0,0,0|3,0,0]=4 2466 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [1,0,0,0,0,0|3,0,0]=4 2467 B12R0.234 CC(=O)NCCCOCCCCF 34a_100000752032_100000729493 [1,0,0,0,0,0|3,0,0]=4 2468 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [1,0,0,0,0,0|3,0,0]=4 2469 B12R0.234 CC(=O)NCCNCCCCCF 2230a_100000209853_100000729378 [1,0,0,0,0,0|3,0,0]=4 2470 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [1,0,0,0,0,0|3,0,0]=4 2471 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [1,0,0,0,0,0|3,0,0]=4 2472 B12R0.234 CC(=O)NCCOCCCCCBr 7a_100000746331_100000189650 [1,0,0,0,0,0|3,0,0]=4 2473 B12R0.234 CC(=O)NCCOCCCCCCl 7a_100000746330_100000189650 [1,0,0,0,0,0|3,0,0]=4 2474 B12R0.234 CC(=O)NCCOCCCCCF 34a_100000158858_100000729378 [1,0,0,0,0,0|3,0,0]=4 2475 B12R0.234 CC(=O)NCCOCCCCCI 7a_200012148887_100000189650 [1,0,0,0,0,0|3,0,0]=4 2476 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [1,0,0,0,0,0|3,0,0]=4 2477 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000189650_100000729378 [1,0,0,0,0,0|3,0,0]=4 2478 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000729378_100000189650 [1,0,0,0,0,0|3,0,0]=4 2479 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [1,0,0,0,0,0|3,0,0]=4 2480 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [1,0,0,0,0,0|3,0,0]=4 2481 B12R0.234 CC(=O)OCCCCCNCCF 34a_100000724931_100000033007 [1,0,0,0,0,0|2,0,0]=3 2482 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [1,0,0,0,0,0|2,0,0]=3 2483 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [1,0,0,0,0,0|2,0,0]=3 2484 B12R0.234 CC(=O)OCCCCCOCCBr 34a_100000211926_100000033007 [1,0,0,0,0,0|2,0,0]=3 2485 B12R0.234 CC(=O)OCCCCCOCCN 34a_100000210304_100000033007 [1,0,0,0,0,0|2,0,0]=3 2486 B12R0.234 CC(=O)OCCCCCSCC#N 62a_100000033007_100011215382 [1,0,0,0,0,0|2,0,1]=4 2487 B12R0.234 CC(=O)OCCCCCSCC#N 62a_100011215382_100000033007 [1,0,0,0,0,0|2,0,1]=4 2488 B12R0.234 CC(=O)OCCCCCSCC=O 62a_100000033007_200015260668 [1,0,0,0,0,0|2,0,1]=4 2489 B12R0.234 CC(=O)OCCCCCSCC=O 62a_200015260668_100000033007 [1,0,0,0,0,0|2,0,1]=4 2490 B12R0.234 CC(=O)OCCCCCSCCF 62a_100000033007_100011217306 [1,0,0,0,0,0|2,0,0]=3 2491 B12R0.234 CC(=O)OCCCCCSCCF 62a_100011217306_100000033007 [1,0,0,0,0,0|2,0,0]=3 2492 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [1,0,0,0,0,0|2,0,0]=3 2493 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [1,0,0,0,0,0|2,0,0]=3 2494 B12R0.234 CC(=O)OCCCCNCCCF 34a_100015189416_100000033659 [1,0,0,0,0,0|2,0,0]=3 2495 B12R0.234 CC(=O)OCCCCOCCC#N 7a_100000073216_100000184422 [1,0,0,0,0,0|2,0,1]=4 2496 B12R0.234 CC(=O)OCCCCOCCCBr 34a_100011217188_100000033659 [1,0,0,0,0,0|2,0,0]=3 2497 B12R0.234 CC(=O)OCCCCOCCCCl 34a_100000230001_100000033659 [1,0,0,0,0,0|2,0,0]=3 2498 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000073216_100011934791 [1,0,0,0,0,0|2,0,0]=3 2499 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000759539_100000033659 [1,0,0,0,0,0|2,0,0]=3 2500 B12R0.234 CC(=O)OCCCCOCCCF 7a_100000073216_100011934791 [1,0,0,0,0,0|2,0,0]=3 2501 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [1,0,0,0,0,0|2,0,0]=3 2502 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [1,0,0,0,0,0|2,0,0]=3 2503 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [1,0,0,0,0,0|2,0,0]=3 2504 B12R0.234 CC(=O)OCCCCOCCON 34a_100000700252_100000033659 [1,0,0,0,0,0|3,0,0]=4 2505 B12R0.234 CC(=O)OCCCCSCCC#N 62a_100000033659_100011215226 [1,0,0,0,0,0|2,0,1]=4 2506 B12R0.234 CC(=O)OCCCCSCCC#N 62a_100011215226_100000033659 [1,0,0,0,0,0|2,0,1]=4 2507 B12R0.234 CC(=O)OCCCCSCCCF 62a_100000033659_100011934791 [1,0,0,0,0,0|2,0,0]=3 2508 B12R0.234 CC(=O)OCCCCSCCCF 62a_100011934791_100000033659 [1,0,0,0,0,0|2,0,0]=3 2509 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [1,0,0,0,0,0|2,0,0]=3 2510 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [1,0,0,0,0,0|2,0,0]=3 2511 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [1,0,0,0,0,0|2,0,0]=3 2512 B12R0.234 CC(=O)OCCCOCCCCBr 34a_100011216708_100000042594 [1,0,0,0,0,0|2,0,0]=3 2513 B12R0.234 CC(=O)OCCCOCCCCCl 34a_100000210776_100000042594 [1,0,0,0,0,0|2,0,0]=3 2514 B12R0.234 CC(=O)OCCCOCCCCCl 7a_100000210776_100000042594 [1,0,0,0,0,0|2,0,0]=3 2515 B12R0.234 CC(=O)OCCCOCCCCF 34a_100011995726_100000042594 [1,0,0,0,0,0|2,0,0]=3 2516 B12R0.234 CC(=O)OCCCOCCCCF 7a_100011995726_100000042594 [1,0,0,0,0,0|2,0,0]=3 2517 B12R0.234 CC(=O)OCCCOCCCCI 34a_200012148704_100000042594 [1,0,0,0,0,0|2,0,0]=3 2518 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [1,0,0,0,0,0|2,0,0]=3 2519 B12R0.234 CC(=O)OCCCSCCCC#N 62a_100000042594_100000687738 [1,0,0,0,0,0|2,0,1]=4 2520 B12R0.234 CC(=O)OCCCSCCCC#N 62a_100000687738_100000042594 [1,0,0,0,0,0|2,0,1]=4 2521 B12R0.234 CC(=O)OCCCSCCCC=O 62a_100000042594_200011292268 [1,0,0,0,0,0|2,0,1]=4 2522 B12R0.234 CC(=O)OCCCSCCCC=O 62a_200011292268_100000042594 [1,0,0,0,0,0|2,0,1]=4 2523 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000042594_100000729493 [1,0,0,0,0,0|2,0,0]=3 2524 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000729493_100000042594 [1,0,0,0,0,0|2,0,0]=3 2525 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [1,0,0,0,0,0|2,0,0]=3 2526 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [1,0,0,0,0,0|2,0,0]=3 2527 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [1,0,0,0,0,0|2,0,0]=3 2528 B12R0.234 CC(=O)OCCNCCOCCO 34a_100000211614_100009814007 [1,0,0,0,0,0|3,0,0]=4 2529 B12R0.234 CC(=O)OCCOCCCCCBr 34a_100000746331_100009814007 [1,0,0,0,0,0|2,0,0]=3 2530 B12R0.234 CC(=O)OCCOCCCCCBr 7a_100000746331_100009814007 [1,0,0,0,0,0|2,0,0]=3 2531 B12R0.234 CC(=O)OCCOCCCCCCl 34a_100000746330_100009814007 [1,0,0,0,0,0|2,0,0]=3 2532 B12R0.234 CC(=O)OCCOCCCCCCl 7a_100000746330_100009814007 [1,0,0,0,0,0|2,0,0]=3 2533 B12R0.234 CC(=O)OCCOCCCCCI 34a_200012148887_100009814007 [1,0,0,0,0,0|2,0,0]=3 2534 B12R0.234 CC(=O)OCCOCCCCCI 7a_200012148887_100009814007 [1,0,0,0,0,0|2,0,0]=3 2535 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [1,0,0,0,0,0|2,0,0]=3 2536 B12R0.234 CC(=O)OCCOCCNCCF 34a_100000724931_200000083610 [1,0,0,0,0,0|3,0,0]=4 2537 B12R0.234 CC(=O)OCCOCCNCCO 2230a_100016997473_200000083610 [1,0,0,0,0,0|3,0,0]=4 2538 B12R0.234 CC(=O)OCCOCCNCCO 34a_100016990907_200000083610 [1,0,0,0,0,0|3,0,0]=4 2539 B12R0.234 CC(=O)OCCOCCOCCBr 34a_100000211926_200000083610 [1,0,0,0,0,0|3,0,0]=4 2540 B12R0.234 CC(=O)OCCOCCOCCBr 34a_100000692535_100009814007 [1,0,0,0,0,0|3,0,0]=4 2541 B12R0.234 CC(=O)OCCOCCOCCBr 7a_100000692535_100009814007 [1,0,0,0,0,0|3,0,0]=4 2542 B12R0.234 CC(=O)OCCOCCOCCCl 34a_100011215305_100009814007 [1,0,0,0,0,0|3,0,0]=4 2543 B12R0.234 CC(=O)OCCOCCOCCCl 7a_100011215305_100009814007 [1,0,0,0,0,0|3,0,0]=4 2544 B12R0.234 CC(=O)OCCOCCOCCF 34a_200015357709_100009814007 [1,0,0,0,0,0|3,0,0]=4 2545 B12R0.234 CC(=O)OCCOCCOCCF 7a_200015357709_100009814007 [1,0,0,0,0,0|3,0,0]=4 2546 B12R0.234 CC(=O)OCCOCCOCCI 34a_100012149058_100009814007 [1,0,0,0,0,0|3,0,0]=4 2547 B12R0.234 CC(=O)OCCOCCOCCI 7a_100012149058_100009814007 [1,0,0,0,0,0|3,0,0]=4 2548 B12R0.234 CC(=O)OCCOCCOCCN 34a_100000210304_200000083610 [1,0,0,0,0,0|3,0,0]=4 2549 B12R0.234 CC(=O)OCCOCCOCCN 34a_100000211614_100009814007 [1,0,0,0,0,0|3,0,0]=4 2550 B12R0.234 CC(=O)OCCOCCSCCF 62a_100011217306_200000083610 [1,0,0,0,0,0|3,0,0]=4 2551 B12R0.234 CC(=O)OCCOCCSCCF 62a_200000083610_100011217306 [1,0,0,0,0,0|3,0,0]=4 2552 B12R0.234 CC(=O)OCCOCCSCCO 62a_100000211926_200000083610 [1,0,0,0,0,0|3,0,0]=4 2553 B12R0.234 CC(=O)OCCOCCSCCO 62a_200000083610_100000211926 [1,0,0,0,0,0|3,0,0]=4 2554 B12R0.234 CC(=O)OCCOCNCCCF 34a_100015189416_100000076355 [1,0,0,0,0,0|3,0,0]=4 2555 B12R0.234 CC(=O)OCCOCOCCCBr 34a_100011217188_100000076355 [1,0,0,0,0,0|3,0,0]=4 2556 B12R0.234 CC(=O)OCCOCOCCCCl 34a_100000230001_100000076355 [1,0,0,0,0,0|3,0,0]=4 2557 B12R0.234 CC(=O)OCCOCOCCCF 34a_100000759539_100000076355 [1,0,0,0,0,0|3,0,0]=4 2558 B12R0.234 CC(=O)OCCOCOCCCN 34a_100000182051_100000076355 [1,0,0,0,0,0|3,0,0]=4 2559 B12R0.234 CC(=O)OCCOCSCCCF 62a_100000076355_100011934791 [1,0,0,0,0,0|3,0,0]=4 2560 B12R0.234 CC(=O)OCCOCSCCCF 62a_100011934791_100000076355 [1,0,0,0,0,0|3,0,0]=4 2561 B12R0.234 CC(=O)OCCOCSCCCO 62a_100000076355_100011215043 [1,0,0,0,0,0|3,0,0]=4 2562 B12R0.234 CC(=O)OCCOCSCCCO 62a_100011215043_100000076355 [1,0,0,0,0,0|3,0,0]=4 2563 B12R0.234 CC(=O)OCCSCCCCC#N 62a_100009814007_100000211819 [1,0,0,0,0,0|2,0,1]=4 2564 B12R0.234 CC(=O)OCCSCCCCC#N 62a_100011219923_100009814007 [1,0,0,0,0,0|2,0,1]=4 2565 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100000139335_100009814007 [1,0,0,0,0,0|2,0,1]=4 2566 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100009814007_100000139335 [1,0,0,0,0,0|2,0,1]=4 2567 B12R0.234 CC(=O)OCCSCCCCCF 62a_100000729378_100009814007 [1,0,0,0,0,0|2,0,0]=3 2568 B12R0.234 CC(=O)OCCSCCCCCF 62a_100009814007_100000729378 [1,0,0,0,0,0|2,0,0]=3 2569 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [1,0,0,0,0,0|2,0,0]=3 2570 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [1,0,0,0,0,0|2,0,0]=3 2571 B12R0.234 CC(=O)OCCSCCOCCO 62a_100009814007_100011215305 [1,0,0,0,0,0|3,0,0]=4 2572 B12R0.234 CC(=O)OCCSCCOCCO 62a_100011215305_100009814007 [1,0,0,0,0,0|3,0,0]=4 2573 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [1,0,0,0,0,0|2,0,0]=3 2574 B12R0.234 CC(=O)OCOCCCCCCBr 34a_100011215345_100009813279 [1,0,0,0,0,0|2,0,0]=3 2575 B12R0.234 CC(=O)OCOCCCCCCCl 34a_100000766143_100009813279 [1,0,0,0,0,0|2,0,0]=3 2576 B12R0.234 CC(=O)OCOCCCCCCF 34a_100000732779_100009813279 [1,0,0,0,0,0|2,0,0]=3 2577 B12R0.234 CC(=O)OCOCCCCCCN 34a_100000686447_100009813279 [1,0,0,0,0,0|2,0,0]=3 2578 B12R0.234 CC(=O)OCSCCCCCC#N 62a_100000076356_100009813376 [1,0,0,0,0,0|2,0,1]=4 2579 B12R0.234 CC(=O)OCSCCCCCC#N 62a_100009813376_100000076356 [1,0,0,0,0,0|2,0,1]=4 2580 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000076356_100000139337 [1,0,0,0,0,0|2,0,1]=4 2581 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000139337_100000076356 [1,0,0,0,0,0|2,0,1]=4 2582 B12R0.234 CC(=O)OCSCCCCCCF 62a_100000076356_100015922095 [1,0,0,0,0,0|2,0,0]=3 2583 B12R0.234 CC(=O)OCSCCCCCCF 62a_100015922095_100000076356 [1,0,0,0,0,0|2,0,0]=3 2584 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [1,0,0,0,0,0|2,0,0]=3 2585 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [1,0,0,0,0,0|2,0,0]=3 2586 B12R0.234 CC(=O)SCCCCNCCCF 2230a_100015189416_200010402107 [1,0,0,0,0,0|2,1,0]=4 2587 B12R0.234 CC(=O)SCCCCNCCCF 34a_100015189416_200010402107 [1,0,0,0,0,0|2,1,0]=4 2588 B12R0.234 CC(=O)SCCCCOCCCBr 34a_100011217188_200010402107 [1,0,0,0,0,0|2,1,0]=4 2589 B12R0.234 CC(=O)SCCCCOCCCCl 34a_100000230001_200010402107 [1,0,0,0,0,0|2,1,0]=4 2590 B12R0.234 CC(=O)SCCCCOCCCF 34a_100000759539_200010402107 [1,0,0,0,0,0|2,1,0]=4 2591 B12R0.234 CC(=O)SCCCCOCCCN 34a_100000182051_200010402107 [1,0,0,0,0,0|2,1,0]=4 2592 B12R0.234 CC(=O)SCCCCSCCCF 62a_100011934791_200010402107 [1,0,0,0,0,0|2,1,0]=4 2593 B12R0.234 CC(=O)SCCCCSCCCF 62a_200010402107_100011934791 [1,0,0,0,0,0|2,1,0]=4 2594 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [1,0,0,0,0,0|2,1,0]=4 2595 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [1,0,0,0,0,0|2,1,0]=4 2596 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [1,0,0,0,0,0|2,1,0]=4 2597 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [1,0,0,0,0,0|2,1,0]=4 2598 B12R0.234 CC(=O)SCCCOCCCCBr 34a_100011216708_100000038929 [1,0,0,0,0,0|2,1,0]=4 2599 B12R0.234 CC(=O)SCCCOCCCCCl 34a_100000210776_100000038929 [1,0,0,0,0,0|2,1,0]=4 2600 B12R0.234 CC(=O)SCCCOCCCCCl 7a_100000210776_100000038929 [1,0,0,0,0,0|2,1,0]=4 2601 B12R0.234 CC(=O)SCCCOCCCCF 34a_100011995726_100000038929 [1,0,0,0,0,0|2,1,0]=4 2602 B12R0.234 CC(=O)SCCCOCCCCF 7a_100011995726_100000038929 [1,0,0,0,0,0|2,1,0]=4 2603 B12R0.234 CC(=O)SCCCOCCCCI 34a_200012148704_100000038929 [1,0,0,0,0,0|2,1,0]=4 2604 B12R0.234 CC(=O)SCCCOCCCCN 34a_100000750430_100000038929 [1,0,0,0,0,0|2,1,0]=4 2605 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000038929_100000729493 [1,0,0,0,0,0|2,1,0]=4 2606 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000729493_100000038929 [1,0,0,0,0,0|2,1,0]=4 2607 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [1,0,0,0,0,0|2,1,0]=4 2608 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [1,0,0,0,0,0|2,1,0]=4 2609 B12R0.234 CC(=S)OCCCNCCCCO 2230a_100000750430_200135323944 [1,0,0,0,0,0|2,1,0]=4 2610 B12R0.234 CC(=S)OCCCNCCCCO 34a_100000750430_200135323944 [1,0,0,0,0,0|2,1,0]=4 2611 B12R0.234 CC(=S)OCCCOCCCCBr 34a_100011216708_200135323944 [1,0,0,0,0,0|2,1,0]=4 2612 B12R0.234 CC(=S)OCCCOCCCCCl 34a_100000210776_200135323944 [1,0,0,0,0,0|2,1,0]=4 2613 B12R0.234 CC(=S)OCCCOCCCCCl 7a_100000210776_200135323944 [1,0,0,0,0,0|2,1,0]=4 2614 B12R0.234 CC(=S)OCCCOCCCCF 34a_100011995726_200135323944 [1,0,0,0,0,0|2,1,0]=4 2615 B12R0.234 CC(=S)OCCCOCCCCF 7a_100011995726_200135323944 [1,0,0,0,0,0|2,1,0]=4 2616 B12R0.234 CC(=S)OCCCOCCCCI 34a_200012148704_200135323944 [1,0,0,0,0,0|2,1,0]=4 2617 B12R0.234 CC(=S)OCCCOCCCCN 34a_100000750430_200135323944 [1,0,0,0,0,0|2,1,0]=4 2618 B12R0.234 CC(=S)OCCCSCCCCF 62a_100000729493_200135323944 [1,0,0,0,0,0|2,1,0]=4 2619 B12R0.234 CC(=S)OCCCSCCCCF 62a_200135323944_100000729493 [1,0,0,0,0,0|2,1,0]=4 2620 B12R0.234 CC(=S)OCCCSCCCCO 62a_100000210776_200135323944 [1,0,0,0,0,0|2,1,0]=4 2621 B12R0.234 CC(=S)OCCCSCCCCO 62a_200135323944_100000210776 [1,0,0,0,0,0|2,1,0]=4 2622 B12R0.234 CC(C)OCCCCCCCCBr 34a_100009813846_100000210206 [1,0,0,0,0,0|2,0,1]=4 2623 B12R0.234 CC(C)OCCCCCCCCBr 7a_100009813846_100000210206 [1,0,0,0,0,0|2,0,1]=4 2624 B12R0.234 CC(C)OCCCCCCCCCl 34a_100000033203_100000210206 [1,0,0,0,0,0|2,0,1]=4 2625 B12R0.234 CC(C)OCCCCCCCCCl 7a_100000033203_100000210206 [1,0,0,0,0,0|2,0,1]=4 2626 B12R0.234 CC(C)OCCCCCCCCN 34a_102515433106_100000210206 [1,0,0,0,0,0|2,0,1]=4 2627 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [1,0,0,0,0,0|2,0,1]=4 2628 B12R0.234 CC/C=C/CCCOCCC(=O)C 7a_100016287902_100000053229 [1,0,0,0,0,0|1,0,2]=4 2629 B12R0.234 CC/C=C/CCCOCOC(=O)C 34a_100016287902_100009813279 [1,0,0,0,0,0|1,0,2]=4 2630 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [1,0,0,0,0,0|1,0,2]=4 2631 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [1,0,0,0,0,0|1,0,2]=4 2632 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [1,0,0,0,0,0|1,0,2]=4 2633 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [1,0,0,0,0,0|1,0,2]=4 2634 B12R0.234 CC/C=C\CCOCCOC(=O)C 34a_100016288707_100009814007 [1,0,0,0,0,0|1,0,2]=4 2635 B12R0.234 CC/C=C\CCOCCOC(=O)C 7a_100016288707_100009814007 [1,0,0,0,0,0|1,0,2]=4 2636 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100011215641_100015370543 [1,0,0,0,0,0|1,0,2]=4 2637 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100015370543_100011215641 [1,0,0,0,0,0|1,0,2]=4 2638 B12R0.234 CC/C=C\CCSCCOC(=O)C 62a_100009814007_100015370543 [1,0,0,0,0,0|1,0,2]=4 2639 B12R0.234 CC/C=C\CCSCCOC(=O)C 62a_100015370543_100009814007 [1,0,0,0,0,0|1,0,2]=4 2640 B12R0.234 CC/C=C\COCCCCC(=O)C 34a_100016268518_100009817362 [1,0,0,0,0,0|1,0,2]=4 2641 B12R0.234 CC/C=C\COCCCOC(=O)C 34a_100016268518_100000042594 [1,0,0,0,0,0|1,0,2]=4 2642 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100000735457_100103147603 [1,0,0,0,0,0|1,0,2]=4 2643 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100103147603_100000735457 [1,0,0,0,0,0|1,0,2]=4 2644 B12R0.234 CC/C=C\CSCCCOC(=O)C 62a_100000042594_100103147603 [1,0,0,0,0,0|1,0,2]=4 2645 B12R0.234 CC/C=C\CSCCCOC(=O)C 62a_100103147603_100000042594 [1,0,0,0,0,0|1,0,2]=4 2646 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [1,0,0,0,0,0|1,0,2]=4 2647 B12R0.234 CC=CCCCOCCOC(=O)C 34a_100020645299_100009814007 [1,0,0,0,0,0|1,0,2]=4 2648 B12R0.234 CC=CCOCCCCOC(=O)C 34a_100000073216_100000070051 [1,0,0,0,0,0|1,0,2]=4 2649 B12R0.234 CC=CCOCCCCOC(=O)C 7a_100000073216_100000070051 [1,0,0,0,0,0|1,0,2]=4 2650 B12R0.234 CC=CCSCCCCOC(=O)C 62a_100000033659_100000070051 [1,0,0,0,0,0|1,0,2]=4 2651 B12R0.234 CC=CCSCCCCOC(=O)C 62a_100000070051_100000033659 [1,0,0,0,0,0|1,0,2]=4 2652 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [1,0,0,0,0,0|0,0,2]=3 2653 B12R0.234 CCC#CCCOCCCC(=O)C 34a_100000036655_100000685027 [1,0,0,0,0,0|1,0,2]=4 2654 B12R0.234 CCC#CCCOCCCC(=O)C 7a_100000036655_100011215641 [1,0,0,0,0,0|1,0,2]=4 2655 B12R0.234 CCC#CCCOCCOC(=O)C 34a_100000036655_100009814007 [1,0,0,0,0,0|1,0,2]=4 2656 B12R0.234 CCC#CCCOCCOC(=O)C 7a_100000036655_100009814007 [1,0,0,0,0,0|1,0,2]=4 2657 B12R0.234 CCC#CCOCCCCC(=O)C 34a_100000032950_100009817362 [1,0,0,0,0,0|1,0,2]=4 2658 B12R0.234 CCC#CCOCCCOC(=O)C 34a_100000032950_100000042594 [1,0,0,0,0,0|1,0,2]=4 2659 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100000735457_100009813939 [1,0,0,0,0,0|1,0,2]=4 2660 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100009813939_100000735457 [1,0,0,0,0,0|1,0,2]=4 2661 B12R0.234 CCC#CCSCCCOC(=O)C 62a_100000042594_100009813939 [1,0,0,0,0,0|1,0,2]=4 2662 B12R0.234 CCC#CCSCCCOC(=O)C 62a_100009813939_100000042594 [1,0,0,0,0,0|1,0,2]=4 2663 B12R0.234 CCC/C=C/COCCCC(=O)C 34a_100016278788_100000685027 [1,0,0,0,0,0|1,0,2]=4 2664 B12R0.234 CCC/C=C/COCCCC(=O)C 7a_100016278788_100011215641 [1,0,0,0,0,0|1,0,2]=4 2665 B12R0.234 CCC/C=C/COCCOC(=O)C 34a_100016278788_100009814007 [1,0,0,0,0,0|1,0,2]=4 2666 B12R0.234 CCC/C=C/COCCOC(=O)C 7a_100016278788_100009814007 [1,0,0,0,0,0|1,0,2]=4 2667 B12R0.234 CCCC#CCCOCCC(=O)C 7a_100000042726_100000053229 [1,0,0,0,0,0|1,0,2]=4 2668 B12R0.234 CCCC#CCCOCOC(=O)C 34a_100000042726_100009813279 [1,0,0,0,0,0|1,0,2]=4 2669 B12R0.234 CCCC#CCOCCCC(=O)C 34a_100000034806_100000685027 [1,0,0,0,0,0|1,0,2]=4 2670 B12R0.234 CCCC#CCOCCCC(=O)C 7a_100000034806_100011215641 [1,0,0,0,0,0|1,0,2]=4 2671 B12R0.234 CCCC#CCOCCOC(=O)C 34a_100000034806_100009814007 [1,0,0,0,0,0|1,0,2]=4 2672 B12R0.234 CCCC#CCOCCOC(=O)C 7a_100000034806_100009814007 [1,0,0,0,0,0|1,0,2]=4 2673 B12R0.234 CCCC/C=C/COCCC(=O)C 7a_200016272032_100000053229 [1,0,0,0,0,0|1,0,2]=4 2674 B12R0.234 CCCC/C=C/COCOC(=O)C 34a_200016272032_100009813279 [1,0,0,0,0,0|1,0,2]=4 2675 B12R0.234 CCCCC#CCOCCC(=O)C 7a_200000034558_100000053229 [1,0,0,0,0,0|1,0,2]=4 2676 B12R0.234 CCCCC#CCOCOC(=O)C 34a_200000034558_100009813279 [1,0,0,0,0,0|1,0,2]=4 2677 B12R0.234 CCCCCC#CCOCC(=O)C 34a_100000211253_100009816472 [1,0,0,0,0,0|1,0,2]=4 2678 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [1,0,0,0,0,0|2,0,1]=4 2679 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [1,0,0,0,0,0|0,0,2]=3 2680 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [1,0,0,0,0,0|0,0,2]=3 2681 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [1,0,0,0,0,0|0,0,0]=1 2682 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [1,0,0,0,0,0|0,0,0]=1 2683 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [1,0,0,0,0,0|0,0,0]=1 2684 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [1,0,0,0,0,0|2,0,0]=3 2685 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [1,0,0,0,0,0|2,0,0]=3 2686 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [1,0,0,0,0,0|2,0,0]=3 2687 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [1,0,0,0,0,0|2,0,0]=3 2688 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [1,0,0,0,0,0|2,0,0]=3 2689 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [1,0,0,0,0,0|2,0,0]=3 2690 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [1,0,0,0,0,0|1,0,0]=2 2691 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [1,0,0,0,0,0|1,0,0]=2 2692 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [1,0,0,0,0,0|1,0,0]=2 2693 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [1,0,0,0,0,0|1,0,0]=2 2694 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [1,0,0,0,0,0|2,0,1]=4 2695 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [1,0,0,0,0,0|2,0,1]=4 2696 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [1,0,0,0,0,0|2,0,1]=4 2697 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [1,0,0,0,0,0|2,0,1]=4 2698 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [1,0,0,0,0,0|1,0,1]=3 2699 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [1,0,0,0,0,0|1,0,1]=3 2700 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [1,0,0,0,0,0|1,0,1]=3 2701 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [1,0,0,0,0,0|1,1,1]=4 2702 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [1,0,0,0,0,0|2,0,0]=3 2703 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [1,0,0,0,0,0|2,0,0]=3 2704 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [1,0,0,0,0,0|2,0,0]=3 2705 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [1,0,0,0,0,0|2,0,0]=3 2706 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [1,0,0,0,0,0|2,0,0]=3 2707 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [1,0,0,0,0,0|2,0,1]=4 2708 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [1,0,0,0,0,0|2,0,1]=4 2709 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [1,0,0,0,0,0|2,0,1]=4 2710 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [1,0,0,0,0,0|2,0,1]=4 2711 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [1,0,0,0,0,0|2,0,1]=4 2712 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [1,0,0,0,0,0|1,0,2]=4 2713 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [1,0,0,0,0,0|1,0,2]=4 2714 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [1,0,0,0,0,0|1,0,2]=4 2715 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [1,0,0,0,0,0|1,0,2]=4 2716 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [1,0,0,0,0,0|1,0,2]=4 2717 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [1,0,0,0,0,0|1,0,2]=4 2718 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [1,0,0,0,0,0|3,0,0]=4 2719 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [1,0,0,0,0,0|1,0,0]=2 2720 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [1,0,0,0,0,0|1,0,0]=2 2721 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [1,0,0,0,0,0|2,0,0]=3 2722 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [1,0,0,0,0,0|2,0,0]=3 2723 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [1,0,0,0,0,0|1,0,0]=2 2724 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [1,0,0,0,0,0|2,0,0]=3 2725 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [1,0,0,0,0,0|2,0,1]=4 2726 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [1,0,0,0,0,0|2,0,1]=4 2727 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [1,0,0,0,0,0|2,0,1]=4 2728 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [1,0,0,0,0,0|2,0,1]=4 2729 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [1,0,0,0,0,0|2,0,1]=4 2730 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [1,0,0,0,0,0|1,0,2]=4 2731 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [1,0,0,0,0,0|1,0,2]=4 2732 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [1,0,0,0,0,0|2,0,1]=4 2733 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [1,0,0,0,0,0|2,0,1]=4 2734 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [1,0,0,0,0,0|1,0,2]=4 2735 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [1,0,0,0,0,0|1,0,2]=4 2736 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [1,0,0,0,0,0|3,0,0]=4 2737 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [1,0,0,0,0,0|2,0,0]=3 2738 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [1,0,0,0,0,0|2,0,0]=3 2739 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [1,0,0,0,0,0|2,0,0]=3 2740 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [1,0,0,0,0,0|2,0,0]=3 2741 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [1,0,0,0,0,0|2,0,1]=4 2742 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [1,0,0,0,0,0|2,0,1]=4 2743 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [1,0,0,0,0,0|1,0,2]=4 2744 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [1,0,0,0,0,0|1,0,2]=4 2745 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [1,0,0,0,0,0|1,0,2]=4 2746 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [1,0,0,0,0,0|1,0,2]=4 2747 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [1,0,0,0,0,0|3,0,0]=4 2748 B12R0.234 CCCCCCCNCC=C(C)C 2230a_100000229938_100000761012 [1,0,0,0,0,0|2,0,1]=4 2749 B12R0.234 CCCCCCCNCC=C(C)C 34a_100000718196_100000210614 [1,0,0,0,0,0|2,0,1]=4 2750 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [1,0,0,0,0,0|2,0,0]=3 2751 B12R0.234 CCCCCCCNCCC(C)C 2230a_100000229938_100000210312 [1,0,0,0,0,0|2,0,1]=4 2752 B12R0.234 CCCCCCCNCCC(C)C 269862a_100000229938_100000185833 [1,0,0,0,0,0|2,0,1]=4 2753 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [1,0,0,0,0,0|1,0,2]=4 2754 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [1,0,0,0,0,0|1,0,2]=4 2755 B12R0.234 CCCCCCCNCOC(C)C 2230a_100000229938_100000709892 [1,0,0,0,0,0|2,0,1]=4 2756 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [1,0,0,0,0,0|3,0,0]=4 2757 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000210272_100000761012 [1,0,0,0,0,0|2,0,1]=4 2758 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000753907_100000210614 [1,0,0,0,0,0|2,0,1]=4 2759 B12R0.234 CCCCCCCOCC=C(C)C 7a_100000210272_100000761012 [1,0,0,0,0,0|2,0,1]=4 2760 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [1,0,0,0,0,0|1,0,0]=2 2761 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [1,0,0,0,0,0|1,0,0]=2 2762 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [1,0,0,0,0,0|1,0,0]=2 2763 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [1,0,0,0,0,0|2,0,0]=3 2764 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [1,0,0,0,0,0|2,0,0]=3 2765 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [1,0,0,0,0,0|2,0,0]=3 2766 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [1,0,0,0,0,0|2,0,0]=3 2767 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [1,0,0,0,0,0|2,0,1]=4 2768 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [1,0,0,0,0,0|2,0,1]=4 2769 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [1,0,0,0,0,0|2,0,1]=4 2770 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [1,0,0,0,0,0|2,0,1]=4 2771 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [1,0,0,0,0,0|2,0,1]=4 2772 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [1,0,0,0,0,0|1,0,2]=4 2773 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [1,0,0,0,0,0|1,0,2]=4 2774 B12R0.234 CCCCCCCOCCN(C)C 7a_100000210272_100000755713 [1,0,0,0,0,0|3,0,0]=4 2775 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [1,0,0,0,0,0|2,0,1]=4 2776 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [1,0,0,0,0,0|1,0,0]=2 2777 B12R0.234 CCCCCCCOCOC(C)C 34a_100000210272_100000709892 [1,0,0,0,0,0|2,0,1]=4 2778 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000210614_100000761012 [1,0,0,0,0,0|2,0,1]=4 2779 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000761012_100000210316 [1,0,0,0,0,0|2,0,1]=4 2780 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [1,0,0,0,0,0|1,0,0]=2 2781 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [1,0,0,0,0,0|1,0,0]=2 2782 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [1,0,0,0,0,0|2,0,0]=3 2783 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [1,0,0,0,0,0|2,0,0]=3 2784 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210312_100000210316 [1,0,0,0,0,0|2,0,1]=4 2785 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210614_100000210312 [1,0,0,0,0,0|2,0,1]=4 2786 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [1,0,0,0,0,0|1,0,2]=4 2787 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [1,0,0,0,0,0|1,0,2]=4 2788 B12R0.234 CCCCCCCSCCN(C)C 62a_100000210614_100000755713 [1,0,0,0,0,0|3,0,0]=4 2789 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [1,0,0,0,0,0|1,0,0]=2 2790 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [1,0,0,0,0,0|1,0,0]=2 2791 B12R0.234 CCCCCCCSCOC(C)C 62a_100000210614_100000709892 [1,0,0,0,0,0|2,0,1]=4 2792 B12R0.234 CCCCCCCSCOC(C)C 62a_100000709892_100000210316 [1,0,0,0,0,0|2,0,1]=4 2793 B12R0.234 CCCCCCNCCC=C(C)C 2230a_100000210581_100011217483 [1,0,0,0,0,0|2,0,1]=4 2794 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [1,0,0,0,0,0|2,0,0]=3 2795 B12R0.234 CCCCCCNCCCC(C)C 2230a_100000210581_100011214892 [1,0,0,0,0,0|2,0,1]=4 2796 B12R0.234 CCCCCCNCCCC(C)C 2230a_200000737386_100000210314 [1,0,0,0,0,0|2,0,1]=4 2797 B12R0.234 CCCCCCNCCCC(C)C 34a_200000737386_100000210314 [1,0,0,0,0,0|2,0,1]=4 2798 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [1,0,0,0,0,0|1,0,2]=4 2799 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [1,0,0,0,0,0|2,0,0]=3 2800 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [1,0,0,0,0,0|2,0,0]=3 2801 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [1,0,0,0,0,0|2,0,0]=3 2802 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [1,0,0,0,0,0|3,0,0]=4 2803 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [1,0,0,0,0,0|3,0,0]=4 2804 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000210581_100000211751 [1,0,0,0,0,0|2,0,1]=4 2805 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000701111_100000210314 [1,0,0,0,0,0|2,0,1]=4 2806 B12R0.234 CCCCCCNCCOC(C)C 34a_100000701111_100000210314 [1,0,0,0,0,0|2,0,1]=4 2807 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [1,0,0,0,0,0|2,0,1]=4 2808 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [1,0,0,0,0,0|2,0,1]=4 2809 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [1,0,0,0,0,0|1,0,0]=2 2810 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [1,0,0,0,0,0|1,0,0]=2 2811 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [1,0,0,0,0,0|1,0,0]=2 2812 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [1,0,0,0,0,0|1,0,0]=2 2813 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [1,0,0,0,0,0|2,0,0]=3 2814 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [1,0,0,0,0,0|2,0,0]=3 2815 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210259_100011214892 [1,0,0,0,0,0|2,0,1]=4 2816 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210774_100000210314 [1,0,0,0,0,0|2,0,1]=4 2817 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210259_100011214892 [1,0,0,0,0,0|2,0,1]=4 2818 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210774_100000210314 [1,0,0,0,0,0|2,0,1]=4 2819 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [1,0,0,0,0,0|1,0,2]=4 2820 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [1,0,0,0,0,0|1,0,2]=4 2821 B12R0.234 CCCCCCOCCCN(C)C 7a_100000210259_100000757444 [1,0,0,0,0,0|3,0,0]=4 2822 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [1,0,0,0,0,0|3,0,0]=4 2823 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [1,0,0,0,0,0|2,0,0]=3 2824 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [1,0,0,0,0,0|2,0,0]=3 2825 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [1,0,0,0,0,0|3,0,0]=4 2826 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [1,0,0,0,0,0|3,0,0]=4 2827 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [1,0,0,0,0,0|1,0,0]=2 2828 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [1,0,0,0,0,0|1,0,0]=2 2829 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [1,0,0,0,0,0|2,0,0]=3 2830 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [1,0,0,0,0,0|2,0,0]=3 2831 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [1,0,0,0,0,0|2,0,0]=3 2832 B12R0.234 CCCCCCOCCOC(C)C 34a_100000210259_100000211751 [1,0,0,0,0,0|2,0,1]=4 2833 B12R0.234 CCCCCCOCCOC(C)C 34a_100000211219_100000210314 [1,0,0,0,0,0|2,0,1]=4 2834 B12R0.234 CCCCCCOCCOC(C)C 34a_100000691444_100000210206 [1,0,0,0,0,0|2,0,1]=4 2835 B12R0.234 CCCCCCOCCOC(C)C 7a_100000210259_100000211751 [1,0,0,0,0,0|2,0,1]=4 2836 B12R0.234 CCCCCCOCCOC(C)C 7a_100000211219_100000210314 [1,0,0,0,0,0|2,0,1]=4 2837 B12R0.234 CCCCCCOCCOC(C)C 7a_100000691444_100000210206 [1,0,0,0,0,0|2,0,1]=4 2838 B12R0.234 CCCCCCSCCC=C(C)C 62a_100000210314_100011217483 [1,0,0,0,0,0|2,0,1]=4 2839 B12R0.234 CCCCCCSCCC=C(C)C 62a_100011217483_100000210757 [1,0,0,0,0,0|2,0,1]=4 2840 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [1,0,0,0,0,0|1,0,0]=2 2841 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [1,0,0,0,0,0|1,0,0]=2 2842 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [1,0,0,0,0,0|2,0,0]=3 2843 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [1,0,0,0,0,0|2,0,0]=3 2844 B12R0.234 CCCCCCSCCCC(C)C 62a_100000210314_100011214892 [1,0,0,0,0,0|2,0,1]=4 2845 B12R0.234 CCCCCCSCCCC(C)C 62a_100011214892_100000210757 [1,0,0,0,0,0|2,0,1]=4 2846 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [1,0,0,0,0,0|1,0,2]=4 2847 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [1,0,0,0,0,0|1,0,2]=4 2848 B12R0.234 CCCCCCSCCCN(C)C 62a_100000210314_100000757444 [1,0,0,0,0,0|3,0,0]=4 2849 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [1,0,0,0,0,0|2,0,0]=3 2850 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [1,0,0,0,0,0|2,0,0]=3 2851 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [1,0,0,0,0,0|3,0,0]=4 2852 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [1,0,0,0,0,0|3,0,0]=4 2853 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [1,0,0,0,0,0|1,0,0]=2 2854 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [1,0,0,0,0,0|1,0,0]=2 2855 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [1,0,0,0,0,0|2,0,0]=3 2856 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [1,0,0,0,0,0|2,0,0]=3 2857 B12R0.234 CCCCCCSCCOC(C)C 62a_100000210314_100000211751 [1,0,0,0,0,0|2,0,1]=4 2858 B12R0.234 CCCCCCSCCOC(C)C 62a_100000211751_100000210757 [1,0,0,0,0,0|2,0,1]=4 2859 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [1,0,0,0,0,0|2,0,0]=3 2860 B12R0.234 CCCCCNCCCCC(C)C 2230a_100000209983_100011216152 [1,0,0,0,0,0|2,0,1]=4 2861 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [1,0,0,0,0,0|2,0,0]=3 2862 B12R0.234 CCCCCNCCCOC(=S)C 2230a_100000209983_200135323944 [1,0,0,0,0,0|1,1,0]=3 2863 B12R0.234 CCCCCNCCCOC(C)C 2230a_100000737246_100000210326 [1,0,0,0,0,0|2,0,1]=4 2864 B12R0.234 CCCCCNCCCOC(C)C 34a_100000737246_100000718602 [1,0,0,0,0,0|2,0,1]=4 2865 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [1,0,0,0,0,0|1,1,0]=3 2866 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [1,0,0,0,0,0|3,0,0]=4 2867 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [1,0,0,0,0,0|3,0,0]=4 2868 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [1,0,0,0,0,0|3,0,0]=4 2869 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [1,0,0,0,0,0|3,0,0]=4 2870 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [1,0,0,0,0,0|1,0,0]=2 2871 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [1,0,0,0,0,0|1,0,0]=2 2872 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [1,0,0,0,0,0|2,0,0]=3 2873 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [1,0,0,0,0,0|2,0,0]=3 2874 B12R0.234 CCCCCOCCCCC(C)C 34a_100000210253_100011216152 [1,0,0,0,0,0|2,0,1]=4 2875 B12R0.234 CCCCCOCCCCC(C)C 34a_100011214890_100000718602 [1,0,0,0,0,0|2,0,1]=4 2876 B12R0.234 CCCCCOCCCCC(C)C 7a_100000210253_100011216152 [1,0,0,0,0,0|2,0,1]=4 2877 B12R0.234 CCCCCOCCCCC(C)C 7a_100011214890_100000210326 [1,0,0,0,0,0|2,0,1]=4 2878 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [1,0,0,0,0,0|3,0,0]=4 2879 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [1,0,0,0,0,0|3,0,0]=4 2880 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [1,0,0,0,0,0|2,0,0]=3 2881 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [1,0,0,0,0,0|1,0,0]=2 2882 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [1,0,0,0,0,0|1,0,0]=2 2883 B12R0.234 CCCCCOCCCOC(=S)C 34a_100000210253_200135323944 [1,0,0,0,0,0|1,1,0]=3 2884 B12R0.234 CCCCCOCCCOC(=S)C 7a_100000210253_200135323944 [1,0,0,0,0,0|1,1,0]=3 2885 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [1,0,0,0,0,0|1,1,0]=3 2886 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [1,0,0,0,0,0|1,1,0]=3 2887 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [1,0,0,0,0,0|3,0,0]=4 2888 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [1,0,0,0,0,0|3,0,0]=4 2889 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [1,0,0,0,0,0|3,0,0]=4 2890 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [1,0,0,0,0,0|3,0,0]=4 2891 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [1,0,0,0,0,0|3,0,0]=4 2892 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [1,0,0,0,0,0|1,0,0]=2 2893 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [1,0,0,0,0,0|1,0,0]=2 2894 B12R0.234 CCCCCSCCCCC(C)C 62a_100000210326_100011216152 [1,0,0,0,0,0|2,0,1]=4 2895 B12R0.234 CCCCCSCCCCC(C)C 62a_100011216152_100000210326 [1,0,0,0,0,0|2,0,1]=4 2896 B12R0.234 CCCCCSCCCCN(C)C 62a_100000210326_100000690147 [1,0,0,0,0,0|3,0,0]=4 2897 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [1,0,0,0,0,0|1,0,0]=2 2898 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [1,0,0,0,0,0|1,0,0]=2 2899 B12R0.234 CCCCCSCCCOC(=S)C 62a_100000210326_200135323944 [1,0,0,0,0,0|1,1,0]=3 2900 B12R0.234 CCCCCSCCCOC(=S)C 62a_200135323944_100000210326 [1,0,0,0,0,0|1,1,0]=3 2901 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [1,0,0,0,0,0|1,1,0]=3 2902 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [1,0,0,0,0,0|1,1,0]=3 2903 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [1,0,0,0,0,0|3,0,0]=4 2904 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [1,0,0,0,0,0|3,0,0]=4 2905 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [1,0,0,0,0,0|2,0,0]=3 2906 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [1,0,0,0,0,0|2,0,0]=3 2907 B12R0.234 CCCCNCCCCCC(C)C 2230a_100000102301_100000210682 [1,0,0,0,0,0|2,0,1]=4 2908 B12R0.234 CCCCNCCCCCC(C)C 2230a_100011290863_100000210211 [1,0,0,0,0,0|2,0,1]=4 2909 B12R0.234 CCCCNCCCCCC(C)C 34a_100011290863_100000210210 [1,0,0,0,0,0|2,0,1]=4 2910 B12R0.234 CCCCNCCCCCC(C)C 7a_106832991798_100000210682 [1,0,0,0,0,0|2,0,1]=4 2911 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [1,0,0,0,0,0|2,0,0]=3 2912 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [1,0,0,0,0,0|2,0,0]=3 2913 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [1,0,0,0,0,0|1,0,0]=2 2914 B12R0.234 CCCCNCCCCOC(C)C 34a_200011216965_100000210206 [1,0,0,0,0,0|2,0,1]=4 2915 B12R0.234 CCCCNCCCCO[N+](=O)[O-] 7a_106832991798_100015694321 [1,0,0,0,0,0|3,0,0]=4 2916 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [1,0,0,0,0,0|1,1,0]=3 2917 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [1,0,0,0,0,0|1,1,0]=3 2918 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [1,0,0,0,0,0|2,0,0]=3 2919 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [1,0,0,0,0,0|2,0,0]=3 2920 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [1,0,0,0,0,0|2,0,0]=3 2921 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [1,0,0,0,0,0|2,0,0]=3 2922 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [1,0,0,0,0,0|2,0,0]=3 2923 B12R0.234 CCCCOCCCCCC(C)C 34a_100000210227_100000210682 [1,0,0,0,0,0|2,0,1]=4 2924 B12R0.234 CCCCOCCCCCC(C)C 34a_100011995859_100000210210 [1,0,0,0,0,0|2,0,1]=4 2925 B12R0.234 CCCCOCCCCCC(C)C 7a_100000210227_100000210682 [1,0,0,0,0,0|2,0,1]=4 2926 B12R0.234 CCCCOCCCCCC(C)C 7a_100011995859_100000210211 [1,0,0,0,0,0|2,0,1]=4 2927 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [1,0,0,0,0,0|1,0,0]=2 2928 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [1,0,0,0,0,0|1,0,0]=2 2929 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [1,0,0,0,0,0|1,0,0]=2 2930 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [1,0,0,0,0,0|1,0,0]=2 2931 B12R0.234 CCCCOCCCCOC(C)C 34a_200000760531_100000210206 [1,0,0,0,0,0|2,0,1]=4 2932 B12R0.234 CCCCOCCCCOC(C)C 7a_200000760531_100000210206 [1,0,0,0,0,0|2,0,1]=4 2933 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 34a_100000210227_100015694321 [1,0,0,0,0,0|3,0,0]=4 2934 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 7a_100000210227_100015694321 [1,0,0,0,0,0|3,0,0]=4 2935 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [1,0,0,0,0,0|1,1,0]=3 2936 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [1,0,0,0,0,0|1,1,0]=3 2937 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [1,0,0,0,0,0|3,0,0]=4 2938 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [1,0,0,0,0,0|3,0,0]=4 2939 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [1,0,0,0,0,0|3,0,0]=4 2940 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [1,0,0,0,0,0|3,0,0]=4 2941 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [1,0,0,0,0,0|3,0,0]=4 2942 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [1,0,0,0,0,0|3,0,0]=4 2943 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [1,0,0,0,0,0|2,0,0]=3 2944 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [1,0,0,0,0,0|2,0,0]=3 2945 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [1,0,0,0,0,0|2,0,0]=3 2946 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [1,0,0,0,0,0|3,0,0]=4 2947 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [1,0,0,0,0,0|3,0,0]=4 2948 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [1,0,0,0,0,0|3,0,0]=4 2949 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [1,0,0,0,0,0|3,0,0]=4 2950 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [1,0,0,0,0,0|2,0,0]=3 2951 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [1,0,0,0,0,0|2,0,0]=3 2952 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [1,0,0,0,0,0|2,0,0]=3 2953 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [1,0,0,0,0,0|3,0,0]=4 2954 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [1,0,0,0,0,0|3,0,0]=4 2955 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000076356_100000743108 [1,0,0,0,0,0|2,0,0]=3 2956 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000743108_100000076356 [1,0,0,0,0,0|2,0,0]=3 2957 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [1,0,0,0,0,0|3,0,0]=4 2958 B12R0.234 CCCCOCNCCCS(=O)C 2230a_200000753449_100011995733 [1,0,0,0,0,0|3,0,0]=4 2959 B12R0.234 CCCCOCNCCNC(=O)C 2230a_100000209853_100011995733 [1,0,0,0,0,0|3,0,0]=4 2960 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [1,0,0,0,0,0|2,0,0]=3 2961 B12R0.234 CCCCOCOCCNC(=O)C 34a_100000158858_100011995733 [1,0,0,0,0,0|3,0,0]=4 2962 B12R0.234 CCCCOCOCCOC(=O)C 34a_100000210227_100000076355 [1,0,0,0,0,0|2,0,0]=3 2963 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [1,0,0,0,0,0|2,0,0]=3 2964 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [1,0,0,0,0,0|2,0,0]=3 2965 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [1,0,0,0,0,0|3,0,0]=4 2966 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [1,0,0,0,0,0|3,0,0]=4 2967 B12R0.234 CCCCOCSCCNC(=O)C 62a_100000189650_100011995733 [1,0,0,0,0,0|3,0,0]=4 2968 B12R0.234 CCCCOCSCCNC(=O)C 62a_100011995733_100000189650 [1,0,0,0,0,0|3,0,0]=4 2969 B12R0.234 CCCCOCSCCOC(=O)C 62a_100009814007_100011995733 [1,0,0,0,0,0|2,0,0]=3 2970 B12R0.234 CCCCOCSCCOC(=O)C 62a_100011995733_100009814007 [1,0,0,0,0,0|2,0,0]=3 2971 B12R0.234 CCCCOCSCCOC(=O)N 62a_100011995733_200011214921 [1,0,0,0,0,0|3,0,0]=4 2972 B12R0.234 CCCCOCSCCOC(=O)N 62a_200011214921_100011995733 [1,0,0,0,0,0|3,0,0]=4 2973 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [1,0,0,0,0,0|2,0,0]=3 2974 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [1,0,0,0,0,0|2,0,0]=3 2975 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210211_100000210682 [1,0,0,0,0,0|2,0,1]=4 2976 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210682_100000210210 [1,0,0,0,0,0|2,0,1]=4 2977 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [1,0,0,0,0,0|1,0,0]=2 2978 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [1,0,0,0,0,0|1,0,0]=2 2979 B12R0.234 CCCCSCCCCO[N+](=O)[O-] 62a_100000210211_100015694321 [1,0,0,0,0,0|3,0,0]=4 2980 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [1,0,0,0,0,0|1,1,0]=3 2981 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [1,0,0,0,0,0|1,1,0]=3 2982 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [1,0,0,0,0,0|3,0,0]=4 2983 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [1,0,0,0,0,0|2,0,0]=3 2984 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [1,0,0,0,0,0|3,0,0]=4 2985 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [1,0,0,0,0,0|3,0,0]=4 2986 B12R0.234 CCCCSCCOCOC(=O)C 34a_200000230436_100009813279 [1,0,0,0,0,0|2,0,0]=3 2987 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000076355_100000210210 [1,0,0,0,0,0|2,0,0]=3 2988 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000210211_100000076355 [1,0,0,0,0,0|2,0,0]=3 2989 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [1,0,0,0,0,0|2,0,1]=4 2990 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [1,0,0,0,0,0|2,0,1]=4 2991 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [1,0,0,0,0,0|2,0,0]=3 2992 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [1,0,0,0,0,0|2,0,0]=3 2993 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [1,0,0,0,0,0|1,0,0]=2 2994 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [1,0,0,0,0,0|3,0,0]=4 2995 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [1,0,0,0,0,0|3,0,0]=4 2996 B12R0.234 CCCOCCCNCOC(=O)C 34a_100011217757_100009813279 [1,0,0,0,0,0|2,0,0]=3 2997 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [1,0,0,0,0,0|2,0,0]=3 2998 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [1,0,0,0,0,0|3,0,0]=4 2999 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [1,0,0,0,0,0|3,0,0]=4 3000 B12R0.234 CCCOCCNCCCS(=O)C 2230a_200000753449_100011215938 [1,0,0,0,0,0|3,0,0]=4 3001 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100000209853_100011215938 [1,0,0,0,0,0|3,0,0]=4 3002 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100161115042_100000189650 [1,0,0,0,0,0|3,0,0]=4 3003 B12R0.234 CCCOCCNCCOC(=O)C 34a_100161115042_100009814007 [1,0,0,0,0,0|2,0,0]=3 3004 B12R0.234 CCCOCCNCCOC(=O)N 34a_100161115042_200011214921 [1,0,0,0,0,0|3,0,0]=4 3005 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [1,0,0,0,0,0|2,0,0]=3 3006 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [1,0,0,0,0,0|2,0,0]=3 3007 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [1,0,0,0,0,0|2,0,0]=3 3008 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [1,0,0,0,0,0|2,0,0]=3 3009 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [1,0,0,0,0,0|3,0,0]=4 3010 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [1,0,0,0,0,0|3,0,0]=4 3011 B12R0.234 CCCOCCOCCNC(=O)C 11a_200011904461_100015343762 [1,0,0,0,0,0|3,0,0]=4 3012 B12R0.234 CCCOCCOCCNC(=O)C 1626a_200011904461_100015343762 [1,0,0,0,0,0|3,0,0]=4 3013 B12R0.234 CCCOCCOCCNC(=O)C 240690a_200011904461_100015343762 [1,0,0,0,0,0|3,0,0]=4 3014 B12R0.234 CCCOCCOCCNC(=O)C 34a_100000158858_100011215938 [1,0,0,0,0,0|3,0,0]=4 3015 B12R0.234 CCCOCCOCCNC(=O)C 7a_100000752267_100000189650 [1,0,0,0,0,0|3,0,0]=4 3016 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000210258_200000083610 [1,0,0,0,0,0|2,0,0]=3 3017 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000752267_100009814007 [1,0,0,0,0,0|2,0,0]=3 3018 B12R0.234 CCCOCCOCCOC(=O)C 7a_100000752267_100009814007 [1,0,0,0,0,0|2,0,0]=3 3019 B12R0.234 CCCOCCOCCOC(=O)N 34a_100000752267_200011214921 [1,0,0,0,0,0|3,0,0]=4 3020 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000752267_200011214921 [1,0,0,0,0,0|3,0,0]=4 3021 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000766696_100011215938 [1,0,0,0,0,0|3,0,0]=4 3022 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [1,0,0,0,0,0|2,0,0]=3 3023 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [1,0,0,0,0,0|2,0,0]=3 3024 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [1,0,0,0,0,0|3,0,0]=4 3025 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [1,0,0,0,0,0|3,0,0]=4 3026 B12R0.234 CCCOCCSCCNC(=O)C 62a_100000189650_100011215938 [1,0,0,0,0,0|3,0,0]=4 3027 B12R0.234 CCCOCCSCCNC(=O)C 62a_100011215938_100000189650 [1,0,0,0,0,0|3,0,0]=4 3028 B12R0.234 CCCOCCSCCOC(=O)C 62a_100009814007_100011215938 [1,0,0,0,0,0|2,0,0]=3 3029 B12R0.234 CCCOCCSCCOC(=O)C 62a_100011215938_100009814007 [1,0,0,0,0,0|2,0,0]=3 3030 B12R0.234 CCCOCCSCCOC(=O)N 62a_100011215938_200011214921 [1,0,0,0,0,0|3,0,0]=4 3031 B12R0.234 CCCOCCSCCOC(=O)N 62a_200011214921_100011215938 [1,0,0,0,0,0|3,0,0]=4 3032 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [1,0,0,0,0,0|1,0,0]=2 3033 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [1,0,0,0,0,0|1,0,0]=2 3034 B12R0.234 CCCSCCNCCNC(=O)C 2230a_100020603323_100000189650 [1,0,0,0,0,0|3,0,0]=4 3035 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [1,0,0,0,0,0|2,0,0]=3 3036 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [1,0,0,0,0,0|2,0,0]=3 3037 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [1,0,0,0,0,0|3,0,0]=4 3038 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [1,0,0,0,0,0|3,0,0]=4 3039 B12R0.234 CCCSCCOCCNC(=O)C 7a_200000230433_100000189650 [1,0,0,0,0,0|3,0,0]=4 3040 B12R0.234 CCCSCCOCCOC(=O)C 34a_200000230433_100009814007 [1,0,0,0,0,0|2,0,0]=3 3041 B12R0.234 CCCSCCOCCOC(=O)C 62a_100000210303_200000083610 [1,0,0,0,0,0|2,0,0]=3 3042 B12R0.234 CCCSCCOCCOC(=O)C 62a_200000083610_100000210303 [1,0,0,0,0,0|2,0,0]=3 3043 B12R0.234 CCCSCCOCCOC(=O)C 7a_200000230433_100009814007 [1,0,0,0,0,0|2,0,0]=3 3044 B12R0.234 CCCSCCOCCOC(=O)N 34a_200000230433_200011214921 [1,0,0,0,0,0|3,0,0]=4 3045 B12R0.234 CCCSCCOCCOC(=O)N 7a_200000230433_200011214921 [1,0,0,0,0,0|3,0,0]=4 3046 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [1,0,0,0,0,0|2,0,0]=3 3047 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [1,0,0,0,0,0|2,0,0]=3 3048 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [1,0,0,0,0,0|2,0,1]=4 3049 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [1,0,0,0,0,0|2,0,1]=4 3050 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [1,0,0,0,0,0|2,0,0]=3 3051 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [1,0,0,0,0,0|3,0,0]=4 3052 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [1,0,0,0,0,0|3,0,0]=4 3053 B12R0.234 CCOCCCNCCCS(=O)C 2230a_200000753449_100012232248 [1,0,0,0,0,0|3,0,0]=4 3054 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000209853_100012232248 [1,0,0,0,0,0|3,0,0]=4 3055 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000210961_100000189650 [1,0,0,0,0,0|3,0,0]=4 3056 B12R0.234 CCOCCCNCCOC(=O)C 34a_100000210961_100009814007 [1,0,0,0,0,0|2,0,0]=3 3057 B12R0.234 CCOCCCNCCOC(=O)N 34a_100000210961_200011214921 [1,0,0,0,0,0|3,0,0]=4 3058 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [1,0,0,0,0,0|2,0,0]=3 3059 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [1,0,0,0,0,0|2,0,0]=3 3060 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [1,0,0,0,0,0|2,0,0]=3 3061 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [1,0,0,0,0,0|2,0,0]=3 3062 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [1,0,0,0,0,0|3,0,0]=4 3063 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [1,0,0,0,0,0|3,0,0]=4 3064 B12R0.234 CCOCCCOCCNC(=O)C 34a_100000158858_100012232248 [1,0,0,0,0,0|3,0,0]=4 3065 B12R0.234 CCOCCCOCCNC(=O)C 7a_100000757476_100000189650 [1,0,0,0,0,0|3,0,0]=4 3066 B12R0.234 CCOCCCOCCOC(=O)C 34a_100000757476_100009814007 [1,0,0,0,0,0|2,0,0]=3 3067 B12R0.234 CCOCCCOCCOC(=O)C 7a_100000757476_100009814007 [1,0,0,0,0,0|2,0,0]=3 3068 B12R0.234 CCOCCCOCCOC(=O)N 34a_100000757476_200011214921 [1,0,0,0,0,0|3,0,0]=4 3069 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000757476_200011214921 [1,0,0,0,0,0|3,0,0]=4 3070 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000766696_100012232248 [1,0,0,0,0,0|3,0,0]=4 3071 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [1,0,0,0,0,0|2,0,0]=3 3072 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [1,0,0,0,0,0|2,0,0]=3 3073 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [1,0,0,0,0,0|3,0,0]=4 3074 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [1,0,0,0,0,0|3,0,0]=4 3075 B12R0.234 CCOCCCSCCNC(=O)C 62a_100000189650_100012232248 [1,0,0,0,0,0|3,0,0]=4 3076 B12R0.234 CCOCCCSCCNC(=O)C 62a_100012232248_100000189650 [1,0,0,0,0,0|3,0,0]=4 3077 B12R0.234 CCOCCCSCCOC(=O)C 62a_100009814007_100012232248 [1,0,0,0,0,0|2,0,0]=3 3078 B12R0.234 CCOCCCSCCOC(=O)C 62a_100012232248_100009814007 [1,0,0,0,0,0|2,0,0]=3 3079 B12R0.234 CCOCCCSCCOC(=O)N 62a_100012232248_200011214921 [1,0,0,0,0,0|3,0,0]=4 3080 B12R0.234 CCOCCCSCCOC(=O)N 62a_200011214921_100012232248 [1,0,0,0,0,0|3,0,0]=4 3081 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [1,0,0,0,0,0|2,0,0]=3 3082 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [1,0,0,0,0,0|3,0,0]=4 3083 B12R0.234 CCOCCNCCCNC(=O)C 34a_100000736810_100000210147 [1,0,0,0,0,0|3,0,0]=4 3084 B12R0.234 CCOCCNCCCOC(=O)C 34a_102516460346_100000042594 [1,0,0,0,0,0|2,0,0]=3 3085 B12R0.234 CCOCCNCCCOC(=S)C 2230a_102516460346_200135323944 [1,0,0,0,0,0|2,1,0]=4 3086 B12R0.234 CCOCCNCCCOC(=S)C 34a_102516460346_200135323944 [1,0,0,0,0,0|2,1,0]=4 3087 B12R0.234 CCOCCNCCCSC(=O)C 2230a_102516460346_100000038929 [1,0,0,0,0,0|2,1,0]=4 3088 B12R0.234 CCOCCNCCCSC(=O)C 34a_102516460346_100000038929 [1,0,0,0,0,0|2,1,0]=4 3089 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [1,0,0,0,0,0|2,0,0]=3 3090 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [1,0,0,0,0,0|2,0,0]=3 3091 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [1,0,0,0,0,0|3,0,0]=4 3092 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [1,0,0,0,0,0|3,0,0]=4 3093 B12R0.234 CCOCCOCCCNC(=O)C 34a_100000752032_100000210147 [1,0,0,0,0,0|3,0,0]=4 3094 B12R0.234 CCOCCOCCCOC(=O)C 34a_100000210136_100000042594 [1,0,0,0,0,0|2,0,0]=3 3095 B12R0.234 CCOCCOCCCOC(=O)C 7a_100000210136_100000042594 [1,0,0,0,0,0|2,0,0]=3 3096 B12R0.234 CCOCCOCCCOC(=S)C 34a_100000210136_200135323944 [1,0,0,0,0,0|2,1,0]=4 3097 B12R0.234 CCOCCOCCCOC(=S)C 7a_100000210136_200135323944 [1,0,0,0,0,0|2,1,0]=4 3098 B12R0.234 CCOCCOCCCSC(=O)C 34a_100000210136_100000038929 [1,0,0,0,0,0|2,1,0]=4 3099 B12R0.234 CCOCCOCCCSC(=O)C 7a_100000210136_100000038929 [1,0,0,0,0,0|2,1,0]=4 3100 B12R0.234 CCOCCOCCOCC(=O)C 34a_100000211253_100011211534 [1,0,0,0,0,0|3,0,0]=4 3101 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [1,0,0,0,0,0|2,0,0]=3 3102 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [1,0,0,0,0,0|2,0,0]=3 3103 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000042594_100011215890 [1,0,0,0,0,0|2,0,0]=3 3104 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000210147_100000042594 [1,0,0,0,0,0|2,0,0]=3 3105 B12R0.234 CCOCCSCCCOC(=S)C 62a_100000210147_200135323944 [1,0,0,0,0,0|2,1,0]=4 3106 B12R0.234 CCOCCSCCCOC(=S)C 62a_200135323944_100011215890 [1,0,0,0,0,0|2,1,0]=4 3107 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000038929_100011215890 [1,0,0,0,0,0|2,1,0]=4 3108 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000210147_100000038929 [1,0,0,0,0,0|2,1,0]=4 3109 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [1,0,0,0,0,0|3,0,0]=4 3110 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [1,0,0,0,0,0|3,0,0]=4 3111 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000033659_100000739092 [1,0,0,0,0,0|2,0,0]=3 3112 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000739092_100000033659 [1,0,0,0,0,0|2,0,0]=3 3113 B12R0.234 CCOCSCCCCSC(=O)C 62a_100000739092_200010402107 [1,0,0,0,0,0|2,1,0]=4 3114 B12R0.234 CCOCSCCCCSC(=O)C 62a_200010402107_100000739092 [1,0,0,0,0,0|2,1,0]=4 3115 B12R0.234 CCOCSCOCCOC(=O)C 62a_100000076355_100000739092 [1,0,0,0,0,0|3,0,0]=4 3116 B12R0.234 CCOCSCOCCOC(=O)C 62a_100000739092_100000076355 [1,0,0,0,0,0|3,0,0]=4 3117 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [1,0,0,0,0,0|2,0,0]=3 3118 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [1,0,0,0,0,0|2,0,0]=3 3119 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [1,0,0,0,0,0|3,0,0]=4 3120 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [1,0,0,0,0,0|3,0,0]=4 3121 B12R0.234 CCSCCCOCCNC(=O)C 7a_100011216438_100000189650 [1,0,0,0,0,0|3,0,0]=4 3122 B12R0.234 CCSCCCOCCOC(=O)C 34a_100011216438_100009814007 [1,0,0,0,0,0|2,0,0]=3 3123 B12R0.234 CCSCCCOCCOC(=O)C 7a_100011216438_100009814007 [1,0,0,0,0,0|2,0,0]=3 3124 B12R0.234 CCSCCCOCCOC(=O)N 34a_100011216438_200011214921 [1,0,0,0,0,0|3,0,0]=4 3125 B12R0.234 CCSCCCOCCOC(=O)N 7a_100011216438_200011214921 [1,0,0,0,0,0|3,0,0]=4 3126 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [1,0,0,0,0,0|3,0,0]=4 3127 B12R0.234 CCSCCNCCCNC(=O)C 34a_100000736810_100000757381 [1,0,0,0,0,0|3,0,0]=4 3128 B12R0.234 CCSCCNCCCOC(=S)C 2230a_100000106463_200135323944 [1,0,0,0,0,0|2,1,0]=4 3129 B12R0.234 CCSCCNCCCSC(=O)C 2230a_100000106463_100000038929 [1,0,0,0,0,0|2,1,0]=4 3130 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [1,0,0,0,0,0|2,0,0]=3 3131 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [1,0,0,0,0,0|2,0,0]=3 3132 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [1,0,0,0,0,0|3,0,0]=4 3133 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [1,0,0,0,0,0|3,0,0]=4 3134 B12R0.234 CCSCCOCCCNC(=O)C 34a_100000752032_100000757381 [1,0,0,0,0,0|3,0,0]=4 3135 B12R0.234 CCSCCOCCCOC(=O)C 34a_100000212035_100000042594 [1,0,0,0,0,0|2,0,0]=3 3136 B12R0.234 CCSCCOCCCOC(=O)C 7a_100000212035_100000042594 [1,0,0,0,0,0|2,0,0]=3 3137 B12R0.234 CCSCCOCCCOC(=S)C 34a_100000212035_200135323944 [1,0,0,0,0,0|2,1,0]=4 3138 B12R0.234 CCSCCOCCCOC(=S)C 7a_100000212035_200135323944 [1,0,0,0,0,0|2,1,0]=4 3139 B12R0.234 CCSCCOCCCSC(=O)C 34a_100000212035_100000038929 [1,0,0,0,0,0|2,1,0]=4 3140 B12R0.234 CCSCCOCCCSC(=O)C 7a_100000212035_100000038929 [1,0,0,0,0,0|2,1,0]=4 3141 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [1,0,0,0,0,0|2,0,0]=3 3142 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [1,0,0,0,0,0|2,0,0]=3 3143 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000042594_100000757381 [1,0,0,0,0,0|2,0,0]=3 3144 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000757381_100000042594 [1,0,0,0,0,0|2,0,0]=3 3145 B12R0.234 CCSCCSCCCOC(=S)C 62a_100000757381_200135323944 [1,0,0,0,0,0|2,1,0]=4 3146 B12R0.234 CCSCCSCCCOC(=S)C 62a_200135323944_100000757381 [1,0,0,0,0,0|2,1,0]=4 3147 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000038929_100000757381 [1,0,0,0,0,0|2,1,0]=4 3148 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000757381_100000038929 [1,0,0,0,0,0|2,1,0]=4 3149 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [1,0,0,0,0,0|3,0,0]=4 3150 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [1,0,0,0,0,0|3,0,0]=4 3151 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [1,0,0,0,0,0|3,0,0]=4 3152 B12R0.234 CNCCCCCOCOC(=O)C 34a_100000722520_100009813279 [1,0,0,0,0,0|2,0,0]=3 3153 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [1,0,0,0,0,0|2,0,0]=3 3154 B12R0.234 CNCCCOCCCOC(=O)C 34a_100000213112_100000042594 [1,0,0,0,0,0|2,0,0]=3 3155 B12R0.234 CNCCCOCCCOC(=S)C 34a_100000213112_200135323944 [1,0,0,0,0,0|2,1,0]=4 3156 B12R0.234 CNCCCOCCCSC(=O)C 34a_100000213112_100000038929 [1,0,0,0,0,0|2,1,0]=4 3157 B12R0.234 CNCCOCCOCOC(=O)C 34a_100000228057_100009813279 [1,0,0,0,0,0|3,0,0]=4 3158 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [1,0,0,0,0,0|3,0,0]=4 3159 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [1,0,0,0,0,0|3,0,0]=4 3160 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [1,0,0,0,0,0|2,0,0]=3 3161 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [1,0,0,0,0,0|3,0,0]=4 3162 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [1,0,0,0,0,0|3,0,0]=4 3163 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [1,0,0,0,0,0|3,0,0]=4 3164 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [1,0,0,0,0,0|3,0,0]=4 3165 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [1,0,0,0,0,0|3,0,0]=4 3166 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [1,0,0,0,0,0|3,0,0]=4 3167 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [1,0,0,0,0,0|3,0,0]=4 3168 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [1,0,0,0,0,0|3,0,0]=4 3169 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [1,0,0,0,0,0|3,0,0]=4 3170 B12R0.234 COCCCCCNCOC(=O)C 34a_100000747528_100009813279 [1,0,0,0,0,0|2,0,0]=3 3171 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [1,0,0,0,0,0|3,0,0]=4 3172 B12R0.234 COCCCCNCCCS(=O)C 2230a_200000753449_100000730899 [1,0,0,0,0,0|3,0,0]=4 3173 B12R0.234 COCCCCNCCNC(=O)C 2230a_100000209853_100000730899 [1,0,0,0,0,0|3,0,0]=4 3174 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [1,0,0,0,0,0|2,0,0]=3 3175 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [1,0,0,0,0,0|2,0,0]=3 3176 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [1,0,0,0,0,0|2,0,0]=3 3177 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [1,0,0,0,0,0|3,0,0]=4 3178 B12R0.234 COCCCCOCCNC(=O)C 34a_100000158858_100000755781 [1,0,0,0,0,0|3,0,0]=4 3179 B12R0.234 COCCCCOCCOC(=O)C 34a_100000740925_100009814007 [1,0,0,0,0,0|2,0,0]=3 3180 B12R0.234 COCCCCOCCOC(=O)N 34a_100000740925_200011214921 [1,0,0,0,0,0|3,0,0]=4 3181 B12R0.234 COCCCCOCCOC(=O)N 7a_100000766696_100000730899 [1,0,0,0,0,0|3,0,0]=4 3182 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [1,0,0,0,0,0|2,0,0]=3 3183 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [1,0,0,0,0,0|2,0,0]=3 3184 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [1,0,0,0,0,0|3,0,0]=4 3185 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [1,0,0,0,0,0|3,0,0]=4 3186 B12R0.234 COCCCCSCCNC(=O)C 62a_100000189650_100000730899 [1,0,0,0,0,0|3,0,0]=4 3187 B12R0.234 COCCCCSCCNC(=O)C 62a_100000730899_100000189650 [1,0,0,0,0,0|3,0,0]=4 3188 B12R0.234 COCCCCSCCOC(=O)C 62a_100000730899_100009814007 [1,0,0,0,0,0|2,0,0]=3 3189 B12R0.234 COCCCCSCCOC(=O)C 62a_100009814007_100000730899 [1,0,0,0,0,0|2,0,0]=3 3190 B12R0.234 COCCCCSCCOC(=O)N 62a_100000730899_200011214921 [1,0,0,0,0,0|3,0,0]=4 3191 B12R0.234 COCCCCSCCOC(=O)N 62a_200011214921_100000730899 [1,0,0,0,0,0|3,0,0]=4 3192 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [1,0,0,0,0,0|2,0,0]=3 3193 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [1,0,0,0,0,0|3,0,0]=4 3194 B12R0.234 COCCCNCCCNC(=O)C 34a_100000736810_100000740836 [1,0,0,0,0,0|3,0,0]=4 3195 B12R0.234 COCCCNCCCOC(=O)C 34a_100150723488_100000042594 [1,0,0,0,0,0|2,0,0]=3 3196 B12R0.234 COCCCNCCCOC(=S)C 34a_100150723488_200135323944 [1,0,0,0,0,0|2,1,0]=4 3197 B12R0.234 COCCCNCCCSC(=O)C 34a_100150723488_100000038929 [1,0,0,0,0,0|2,1,0]=4 3198 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [1,0,0,0,0,0|2,0,0]=3 3199 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [1,0,0,0,0,0|3,0,0]=4 3200 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [1,0,0,0,0,0|3,0,0]=4 3201 B12R0.234 COCCCOCCCNC(=O)C 34a_100000752032_100000740836 [1,0,0,0,0,0|3,0,0]=4 3202 B12R0.234 COCCCOCCCOC(=O)C 34a_100000740835_100000042594 [1,0,0,0,0,0|2,0,0]=3 3203 B12R0.234 COCCCOCCCOC(=S)C 34a_100000740835_200135323944 [1,0,0,0,0,0|2,1,0]=4 3204 B12R0.234 COCCCOCCCSC(=O)C 34a_100000740835_100000038929 [1,0,0,0,0,0|2,1,0]=4 3205 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [1,0,0,0,0,0|2,0,0]=3 3206 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [1,0,0,0,0,0|2,0,0]=3 3207 B12R0.234 COCCCSCCCOC(=O)C 62a_100000042594_100000709357 [1,0,0,0,0,0|2,0,0]=3 3208 B12R0.234 COCCCSCCCOC(=O)C 62a_100000709357_100000042594 [1,0,0,0,0,0|2,0,0]=3 3209 B12R0.234 COCCCSCCCOC(=S)C 62a_100000709357_200135323944 [1,0,0,0,0,0|2,1,0]=4 3210 B12R0.234 COCCCSCCCOC(=S)C 62a_200135323944_100000709357 [1,0,0,0,0,0|2,1,0]=4 3211 B12R0.234 COCCCSCCCSC(=O)C 62a_100000038929_100000709357 [1,0,0,0,0,0|2,1,0]=4 3212 B12R0.234 COCCCSCCCSC(=O)C 62a_100000709357_100000038929 [1,0,0,0,0,0|2,1,0]=4 3213 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [1,0,0,0,0,0|3,0,0]=4 3214 B12R0.234 COCCNCCCCNC(=O)C 2230a_200011368371_100011201679 [1,0,0,0,0,0|3,0,0]=4 3215 B12R0.234 COCCNCCCCNC(=O)C 34a_200011368371_100011201679 [1,0,0,0,0,0|3,0,0]=4 3216 B12R0.234 COCCNCCCCSC(=O)C 2230a_100000209980_200010402107 [1,0,0,0,0,0|2,1,0]=4 3217 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [1,0,0,0,0,0|3,0,0]=4 3218 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [1,0,0,0,0,0|3,0,0]=4 3219 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [1,0,0,0,0,0|3,0,0]=4 3220 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [1,0,0,0,0,0|3,0,0]=4 3221 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [1,0,0,0,0,0|2,0,0]=3 3222 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [1,0,0,0,0,0|2,0,0]=3 3223 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [1,0,0,0,0,0|2,0,0]=3 3224 B12R0.234 COCCOCCCCSC(=O)C 34a_100000210237_200010402107 [1,0,0,0,0,0|2,1,0]=4 3225 B12R0.234 COCCOCCCOCC(=O)C 34a_100000211253_100011216529 [1,0,0,0,0,0|3,0,0]=4 3226 B12R0.234 COCCOCCNCOC(=O)C 34a_100000745349_100009813279 [1,0,0,0,0,0|3,0,0]=4 3227 B12R0.234 COCCOCCOCCC(=O)C 1458a_100000070787_100013367474 [1,0,0,0,0,0|3,0,0]=4 3228 B12R0.234 COCCOCCOCCC(=O)C 1458a_100012278103_200000210301 [1,0,0,0,0,0|3,0,0]=4 3229 B12R0.234 COCCOCCOCCC(=O)C 34a_100000759926_100000695917 [1,0,0,0,0,0|3,0,0]=4 3230 B12R0.234 COCCOCCOCCC(=O)C 7a_100000759926_100000695917 [1,0,0,0,0,0|3,0,0]=4 3231 B12R0.234 COCCOCCOCCC(=O)C 7a_100011215163_100000053229 [1,0,0,0,0,0|3,0,0]=4 3232 B12R0.234 COCCOCCOCCC(=O)[13CH3] 1458a_100012278103_200025704644 [1,0,0,0,0,0|3,0,0]=4 3233 B12R0.234 COCCOCCOCOC(=O)C 34a_100011215163_100009813279 [1,0,0,0,0,0|3,0,0]=4 3234 B12R0.234 COCCOCCSCCC(=O)C 62a_100000053229_100000695917 [1,0,0,0,0,0|3,0,0]=4 3235 B12R0.234 COCCOCCSCCC(=O)C 62a_100000695917_100000053229 [1,0,0,0,0,0|3,0,0]=4 3236 B12R0.234 COCCOCCSCOC(=O)C 62a_100000076356_100000695917 [1,0,0,0,0,0|3,0,0]=4 3237 B12R0.234 COCCOCCSCOC(=O)C 62a_100000695917_100000076356 [1,0,0,0,0,0|3,0,0]=4 3238 B12R0.234 COCCOCOCCOC(=O)C 34a_100000210237_100000076355 [1,0,0,0,0,0|3,0,0]=4 3239 B12R0.234 COCCOCSCCCC(=O)C 62a_100000231047_100011215641 [1,0,0,0,0,0|3,0,0]=4 3240 B12R0.234 COCCOCSCCCC(=O)C 62a_100011215641_100000231047 [1,0,0,0,0,0|3,0,0]=4 3241 B12R0.234 COCCOCSCCOC(=O)C 62a_100000231047_100009814007 [1,0,0,0,0,0|3,0,0]=4 3242 B12R0.234 COCCOCSCCOC(=O)C 62a_100009814007_100000231047 [1,0,0,0,0,0|3,0,0]=4 3243 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [1,0,0,0,0,0|3,0,0]=4 3244 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [1,0,0,0,0,0|3,0,0]=4 3245 B12R0.234 COCCSCCCCOC(=O)C 62a_100000033659_100000233755 [1,0,0,0,0,0|2,0,0]=3 3246 B12R0.234 COCCSCCCCOC(=O)C 62a_100000233755_100000033659 [1,0,0,0,0,0|2,0,0]=3 3247 B12R0.234 COCCSCCCCSC(=O)C 62a_100000233755_200010402107 [1,0,0,0,0,0|2,1,0]=4 3248 B12R0.234 COCCSCCCCSC(=O)C 62a_200010402107_100000233755 [1,0,0,0,0,0|2,1,0]=4 3249 B12R0.234 COCCSCOCCOC(=O)C 62a_100000076355_100000233755 [1,0,0,0,0,0|3,0,0]=4 3250 B12R0.234 COCCSCOCCOC(=O)C 62a_100000233755_100000076355 [1,0,0,0,0,0|3,0,0]=4 3251 B12R0.234 COCNCCCCCNC(=O)C 2230a_200012022750_100000766300 [1,0,0,0,0,0|3,0,0]=4 3252 B12R0.234 COCSCCCCCOC(=O)C 62a_100000033007_100000766300 [1,0,0,0,0,0|2,0,0]=3 3253 B12R0.234 COCSCCCCCOC(=O)C 62a_100000766300_100000033007 [1,0,0,0,0,0|2,0,0]=3 3254 B12R0.234 COCSCCOCCOC(=O)C 62a_100000766300_200000083610 [1,0,0,0,0,0|3,0,0]=4 3255 B12R0.234 COCSCCOCCOC(=O)C 62a_200000083610_100000766300 [1,0,0,0,0,0|3,0,0]=4 3256 B12R0.234 CS(=O)CCCNCCCCCF 2230a_200000753449_100000729378 [1,0,0,0,0,0|3,0,0]=4 3257 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [1,0,0,0,0,0|3,0,0]=4 3258 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [1,0,0,0,0,0|2,0,0]=3 3259 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [1,0,0,0,0,0|2,0,0]=3 3260 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [1,0,0,0,0,0|3,0,0]=4 3261 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [1,0,0,0,0,0|3,0,0]=4 3262 B12R0.234 CSCCCCOCCNC(=O)C 7a_100011217163_100000189650 [1,0,0,0,0,0|3,0,0]=4 3263 B12R0.234 CSCCCCOCCOC(=O)C 34a_100011217163_100009814007 [1,0,0,0,0,0|2,0,0]=3 3264 B12R0.234 CSCCCCOCCOC(=O)C 7a_100011217163_100009814007 [1,0,0,0,0,0|2,0,0]=3 3265 B12R0.234 CSCCCCOCCOC(=O)N 34a_100011217163_200011214921 [1,0,0,0,0,0|3,0,0]=4 3266 B12R0.234 CSCCCCOCCOC(=O)N 7a_100011217163_200011214921 [1,0,0,0,0,0|3,0,0]=4 3267 B12R0.234 CSCCCNCCCOC(=S)C 2230a_100000749238_200135323944 [1,0,0,0,0,0|2,1,0]=4 3268 B12R0.234 CSCCCNCCCSC(=O)C 2230a_100000749238_100000038929 [1,0,0,0,0,0|2,1,0]=4 3269 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [1,0,0,0,0,0|2,0,0]=3 3270 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [1,0,0,0,0,0|2,0,0]=3 3271 B12R0.234 CSCCCOCCCOC(=O)C 34a_100000690336_100000042594 [1,0,0,0,0,0|2,0,0]=3 3272 B12R0.234 CSCCCOCCCOC(=O)C 7a_100000690336_100000042594 [1,0,0,0,0,0|2,0,0]=3 3273 B12R0.234 CSCCCOCCCOC(=S)C 34a_100000690336_200135323944 [1,0,0,0,0,0|2,1,0]=4 3274 B12R0.234 CSCCCOCCCOC(=S)C 7a_100000690336_200135323944 [1,0,0,0,0,0|2,1,0]=4 3275 B12R0.234 CSCCCOCCCSC(=O)C 34a_100000690336_100000038929 [1,0,0,0,0,0|2,1,0]=4 3276 B12R0.234 CSCCCOCCCSC(=O)C 7a_100000690336_100000038929 [1,0,0,0,0,0|2,1,0]=4 3277 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [1,0,0,0,0,0|3,0,0]=4 3278 B12R0.234 CSCCNCCCCNC(=O)C 2230a_200011368371_100000751147 [1,0,0,0,0,0|3,0,0]=4 3279 B12R0.234 CSCCNCCCCNC(=O)C 34a_200011368371_100000212216 [1,0,0,0,0,0|3,0,0]=4 3280 B12R0.234 CSCCNCCCCSC(=O)C 2230a_100020590264_200010402107 [1,0,0,0,0,0|2,1,0]=4 3281 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [1,0,0,0,0,0|3,0,0]=4 3282 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [1,0,0,0,0,0|3,0,0]=4 3283 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [1,0,0,0,0,0|3,0,0]=4 3284 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [1,0,0,0,0,0|3,0,0]=4 3285 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [1,0,0,0,0,0|3,0,0]=4 3286 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000073216_100000212216 [1,0,0,0,0,0|2,0,0]=3 3287 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000230434_100000033659 [1,0,0,0,0,0|2,0,0]=3 3288 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000073216_100000212216 [1,0,0,0,0,0|2,0,0]=3 3289 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000230434_100000033659 [1,0,0,0,0,0|2,0,0]=3 3290 B12R0.234 CSCCOCCCCSC(=O)C 34a_100000230434_200010402107 [1,0,0,0,0,0|2,1,0]=4 3291 B12R0.234 CSCCOCCCCSC(=O)C 7a_100000230434_200010402107 [1,0,0,0,0,0|2,1,0]=4 3292 B12R0.234 CSCCOCOCCOC(=O)C 34a_100000230434_100000076355 [1,0,0,0,0,0|3,0,0]=4 3293 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [1,0,0,0,0,0|3,0,0]=4 3294 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [1,0,0,0,0,0|3,0,0]=4 3295 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000033659_100000751147 [1,0,0,0,0,0|2,0,0]=3 3296 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000212216_100000033659 [1,0,0,0,0,0|2,0,0]=3 3297 B12R0.234 CSCCSCCCCSC(=O)C 62a_100000212216_200010402107 [1,0,0,0,0,0|2,1,0]=4 3298 B12R0.234 CSCCSCCCCSC(=O)C 62a_200010402107_100000751147 [1,0,0,0,0,0|2,1,0]=4 3299 B12R0.234 CSCCSCOCCOC(=O)C 62a_100000076355_100000751147 [1,0,0,0,0,0|3,0,0]=4 3300 B12R0.234 CSCCSCOCCOC(=O)C 62a_100000212216_100000076355 [1,0,0,0,0,0|3,0,0]=4 3301 B12R0.234 CSCNCCCCCNC(=O)C 2230a_200012022750_100011218213 [1,0,0,0,0,0|3,0,0]=4 3302 B12R0.234 CSCNCCCCCNC(=O)C 34a_200012022750_100011218213 [1,0,0,0,0,0|3,0,0]=4 3303 B12R0.234 CSCSCCCCCOC(=O)C 62a_100000033007_100011218213 [1,0,0,0,0,0|2,0,0]=3 3304 B12R0.234 CSCSCCCCCOC(=O)C 62a_100011218213_100000033007 [1,0,0,0,0,0|2,0,0]=3 3305 B12R0.234 CSCSCCOCCOC(=O)C 62a_100011218213_200000083610 [1,0,0,0,0,0|3,0,0]=4 3306 B12R0.234 CSCSCCOCCOC(=O)C 62a_200000083610_100011218213 [1,0,0,0,0,0|3,0,0]=4 3307 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [1,0,0,0,0,0|3,0,0]=4 3308 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [1,0,0,0,0,0|3,0,0]=4 3309 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [1,0,0,0,0,0|3,0,0]=4 3310 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [1,0,0,0,0,0|3,0,0]=4 3311 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [1,0,0,0,0,0|3,0,0]=4 3312 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [1,0,0,0,0,0|3,0,0]=4 3313 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [1,0,0,0,0,0|3,0,0]=4 3314 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [1,0,0,0,0,0|3,0,0]=4 3315 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [1,0,0,0,0,0|3,0,0]=4 3316 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [1,0,0,0,0,0|3,0,0]=4 3317 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [1,0,0,0,0,0|3,0,0]=4 3318 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [1,0,0,0,0,0|3,0,0]=4 3319 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [1,0,0,0,0,0|3,0,0]=4 3320 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [1,0,0,0,0,0|3,0,0]=4 3321 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [1,0,0,0,0,0|3,0,0]=4 3322 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [1,0,0,0,0,0|3,0,0]=4 3323 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [1,0,0,0,0,0|3,0,0]=4 3324 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [1,0,0,0,0,0|3,0,0]=4 3325 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [1,0,0,0,0,0|3,0,0]=4 3326 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [1,0,0,0,0,0|3,0,0]=4 3327 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [1,0,0,0,0,0|3,0,0]=4 3328 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [1,0,0,0,0,0|3,0,0]=4 3329 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [1,0,0,0,0,0|3,0,0]=4 3330 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [1,0,0,0,0,0|3,0,0]=4 3331 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [1,0,0,0,0,0|3,0,0]=4 3332 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [1,0,0,0,0,0|3,0,0]=4 3333 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [1,0,0,0,0,0|3,0,0]=4 3334 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [1,0,0,0,0,0|3,0,0]=4 3335 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [1,0,0,0,0,0|3,0,0]=4 3336 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [1,0,0,0,0,0|3,0,0]=4 3337 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [1,0,0,0,0,0|3,0,0]=4 3338 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [1,0,0,0,0,0|3,0,0]=4 3339 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [1,0,0,0,0,0|3,0,0]=4 3340 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [1,0,0,0,0,0|3,0,0]=4 3341 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [1,0,0,0,0,0|3,0,0]=4 3342 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [1,0,0,0,0,0|3,0,0]=4 3343 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [1,0,0,0,0,0|3,0,0]=4 3344 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [1,0,0,0,0,0|3,0,0]=4 3345 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [1,0,0,0,0,0|3,0,0]=4 3346 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [1,0,0,0,0,0|3,0,0]=4 3347 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [1,0,0,0,0,0|3,0,0]=4 3348 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [1,0,0,0,0,0|3,0,0]=4 3349 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [1,0,0,0,0,0|3,0,0]=4 3350 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [1,0,0,0,0,0|3,0,0]=4 3351 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [1,0,0,0,0,0|3,0,0]=4 3352 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [1,0,0,0,0,0|3,0,0]=4 3353 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [1,0,0,0,0,0|3,0,0]=4 3354 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [1,0,0,0,0,0|3,0,0]=4 3355 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [1,0,0,0,0,0|3,0,0]=4 3356 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [1,0,0,0,0,0|3,0,0]=4 3357 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [1,0,0,0,0,0|3,0,0]=4 3358 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [1,0,0,0,0,0|3,0,0]=4 3359 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [1,0,0,0,0,0|3,0,0]=4 3360 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [1,0,0,0,0,0|3,0,0]=4 3361 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [1,0,0,0,0,0|3,0,0]=4 3362 B12R0.234 NC(=O)OCCNCCCCCO 34a_100000762737_200011214921 [1,0,0,0,0,0|3,0,0]=4 3363 B12R0.234 NC(=O)OCCOCCCCCBr 34a_100000746331_200011214921 [1,0,0,0,0,0|3,0,0]=4 3364 B12R0.234 NC(=O)OCCOCCCCCBr 7a_100000746331_200011214921 [1,0,0,0,0,0|3,0,0]=4 3365 B12R0.234 NC(=O)OCCOCCCCCCl 34a_100000746330_200011214921 [1,0,0,0,0,0|3,0,0]=4 3366 B12R0.234 NC(=O)OCCOCCCCCCl 7a_100000746330_200011214921 [1,0,0,0,0,0|3,0,0]=4 3367 B12R0.234 NC(=O)OCCOCCCCCF 7a_100000766696_100000729378 [1,0,0,0,0,0|3,0,0]=4 3368 B12R0.234 NC(=O)OCCOCCCCCI 34a_200012148887_200011214921 [1,0,0,0,0,0|3,0,0]=4 3369 B12R0.234 NC(=O)OCCOCCCCCI 7a_200012148887_200011214921 [1,0,0,0,0,0|3,0,0]=4 3370 B12R0.234 NC(=O)OCCOCCCCCO 7a_100000766696_100000746330 [1,0,0,0,0,0|3,0,0]=4 3371 B12R0.234 NC(=O)OCCSCCCCCF 62a_100000729378_200011214921 [1,0,0,0,0,0|3,0,0]=4 3372 B12R0.234 NC(=O)OCCSCCCCCF 62a_200011214921_100000729378 [1,0,0,0,0,0|3,0,0]=4 3373 B12R0.234 NC(=O)OCCSCCCCCO 62a_100000746330_200011214921 [1,0,0,0,0,0|3,0,0]=4 3374 B12R0.234 NC(=O)OCCSCCCCCO 62a_200011214921_100000746330 [1,0,0,0,0,0|3,0,0]=4 3375 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [1,0,0,0,0,0|3,0,0]=4 3376 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [1,0,0,0,0,0|3,0,0]=4 3377 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [1,0,0,0,0,0|3,0,0]=4 3378 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [1,0,0,0,0,0|3,0,0]=4 3379 B12R0.234 NCCCCCOCCOC(=O)N 34a_100000762737_200011214921 [1,0,0,0,0,0|3,0,0]=4 3380 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [1,0,0,0,0,0|3,0,0]=4 3381 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [1,0,0,0,0,0|3,0,0]=4 3382 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [1,0,0,0,0,0|3,0,0]=4 3383 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [1,0,0,0,0,0|3,0,0]=4 3384 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [1,0,0,0,0,0|3,0,0]=4 3385 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [1,0,0,0,0,0|3,0,0]=4 3386 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [1,0,0,0,0,0|3,0,0]=4 3387 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [1,0,0,0,0,0|3,0,0]=4 3388 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [1,0,0,0,0,0|1,0,0]=2 3389 B14R0.2 C#CCCCCCC(=O)CCOC(=O)C 1458a_100000694772_100009814007 [0,1,0,0,0,0|0,0,3]=4 3390 B14R0.2 C=C(C)CCOC(C)CCCCCCC 34a_100000764851_200011218727 [0,1,0,0,0,0|3,0,0]=4 3391 B14R0.2 C=C(C)CCOC(C)CCCCCCC 34a_200011215852_100000730704 [0,1,0,0,0,0|3,0,0]=4 3392 B14R0.2 C=C(C)CCOC(C)CCCCCCC 7a_200011215852_100000730704 [0,1,0,0,0,0|3,0,0]=4 3393 B14R0.2 C=C(C)CCSC(C)CCCCCCC 62a_100000730704_200011218727 [0,1,0,0,0,0|3,0,0]=4 3394 B14R0.2 C=C(C)CCSC(C)CCCCCCC 62a_200011218727_100000730704 [0,1,0,0,0,0|3,0,0]=4 3395 B14R0.2 C=CCCCCCC(=O)CCOC(=O)C 1458a_100011934241_100009814007 [0,1,0,0,0,0|0,0,3]=4 3396 B14R0.2 CC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100011215641 [0,1,0,0,0,0|2,0,1]=4 3397 B14R0.2 CC(=O)NCCC(=O)CCCCCCF 1458a_100000183196_100015922095 [0,1,0,0,0,0|2,0,1]=4 3398 B14R0.2 CC(=O)NCCC(=O)CCCCCCO 1458a_100000183196_100000766143 [0,1,0,0,0,0|2,0,1]=4 3399 B14R0.2 CC(=O)NCCC(=O)CCCCCCO 1458a_100011996774_100000189650 [0,1,0,0,0,0|2,0,1]=4 3400 B14R0.2 CC(=O)OCCC(=O)CCCCCCO 1458a_100011996774_100009814007 [0,1,0,0,0,0|1,0,1]=3 3401 B14R0.2 CC(=O)SCCC(=O)CCCCCCF 1458a_100000048949_100015922095 [0,1,0,0,0,0|1,1,1]=4 3402 B14R0.2 CC(=O)SCCC(=O)CCCCCCO 1458a_100000048949_100000766143 [0,1,0,0,0,0|1,1,1]=4 3403 B14R0.2 CCCC/C=C/CC(=O)CCOC(=O)C 1458a_200016282684_100009814007 [0,1,0,0,0,0|0,0,3]=4 3404 B14R0.2 CCCCCC#CC(=O)CCOC(=O)C 1458a_100011215388_100009814007 [0,1,0,0,0,0|0,0,3]=4 3405 B14R0.2 CCCCCC=CC(=O)CCOC(=O)C 1458a_100016263427_100009814007 [0,1,0,0,0,0|0,0,3]=4 3406 B14R0.2 CCCCCCCC(=O)CCC=C(C)C 1458a_100000211969_100011217483 [0,1,0,0,0,0|2,0,1]=4 3407 B14R0.2 CCCCCCCC(=O)CCCC(=O)C 1458a_100000211969_100011215641 [0,1,0,0,0,0|1,0,1]=3 3408 B14R0.2 CCCCCCCC(=O)CCCC(=O)N 1458a_100000211969_100102525003 [0,1,0,0,0,0|2,0,1]=4 3409 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210614 [0,1,0,0,0,0|1,0,1]=3 3410 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000211969_100000189650 [0,1,0,0,0,0|1,0,1]=3 3411 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210614 [0,1,0,0,0,0|2,0,1]=4 3412 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000211969_200000034859 [0,1,0,0,0,0|2,0,1]=4 3413 B14R0.2 CCCCCCCC(=O)CCOC(=O)C 1458a_100000211969_100009814007 [0,1,0,0,0,0|0,0,1]=2 3414 B14R0.2 CCCCCCCC(=O)CCOC(=O)N 1458a_100000211969_200011214921 [0,1,0,0,0,0|1,0,1]=3 3415 B14R0.2 CCCCCCCC(=O)CCOC(C)C 1458a_100000211969_100000211751 [0,1,0,0,0,0|1,0,2]=4 3416 B14R0.2 CCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210614 [0,1,0,0,0,0|0,1,1]=3 3417 B14R0.2 CCCCCCCC(C)NCC=C(C)C 270004a_100000718196_100000210596 [0,1,0,0,0,0|3,0,0]=4 3418 B14R0.2 CCCCCCCC(C)NCC=C(C)C 34a_100000718196_200011218727 [0,1,0,0,0,0|3,0,0]=4 3419 B14R0.2 CCCCCCCC(C)OCC=C(C)C 34a_100000753907_200011218727 [0,1,0,0,0,0|3,0,0]=4 3420 B14R0.2 CCCCCCCC(C)OCC=C(C)C 34a_200011215852_100000761012 [0,1,0,0,0,0|3,0,0]=4 3421 B14R0.2 CCCCCCCC(C)OCC=C(C)C 7a_200011215852_100000761012 [0,1,0,0,0,0|3,0,0]=4 3422 B14R0.2 CCCCCCCC(C)OCCC(=O)C 34a_100000759926_200011218727 [0,1,0,0,0,0|2,0,0]=3 3423 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_100000759926_200011218727 [0,1,0,0,0,0|2,0,0]=3 3424 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_200011215852_100000053229 [0,1,0,0,0,0|2,0,0]=3 3425 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_100000757172_200011218727 [0,1,0,0,0,0|3,0,0]=4 3426 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_200011215852_100000731001 [0,1,0,0,0,0|3,0,0]=4 3427 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_100000757172_200011218727 [0,1,0,0,0,0|3,0,0]=4 3428 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_200011215852_100000744528 [0,1,0,0,0,0|3,0,0]=4 3429 B14R0.2 CCCCCCCC(C)OCOC(=O)C 34a_200011215852_100009813279 [0,1,0,0,0,0|1,0,0]=2 3430 B14R0.2 CCCCCCCC(C)OCOC(C)C 34a_200011215852_100000709892 [0,1,0,0,0,0|2,0,1]=4 3431 B14R0.2 CCCCCCCC(C)SCC=C(C)C 62a_100000761012_200011218727 [0,1,0,0,0,0|3,0,0]=4 3432 B14R0.2 CCCCCCCC(C)SCC=C(C)C 62a_200011218727_100000761012 [0,1,0,0,0,0|3,0,0]=4 3433 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_100000053229_200011218727 [0,1,0,0,0,0|2,0,0]=3 3434 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_200011218727_100000053229 [0,1,0,0,0,0|2,0,0]=3 3435 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_100000744528_200011218727 [0,1,0,0,0,0|3,0,0]=4 3436 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_200011218727_100000744528 [0,1,0,0,0,0|3,0,0]=4 3437 B14R0.2 CCCCCCCC(C)SCOC(=O)C 62a_100000076356_200011218727 [0,1,0,0,0,0|1,0,0]=2 3438 B14R0.2 CCCCCCCC(C)SCOC(=O)C 62a_200011218727_100000076356 [0,1,0,0,0,0|1,0,0]=2 3439 B14R0.2 CCCCCCCC(C)SCOC(C)C 62a_100000709892_200011218727 [0,1,0,0,0,0|2,0,1]=4 3440 B14R0.2 CCCCCCCC(C)SCOC(C)C 62a_200011218727_100000709892 [0,1,0,0,0,0|2,0,1]=4 3441 B14R0.2 CCCCCCCN(C)CCC=C(C)C 2230a_100000228206_100011217483 [0,1,0,0,0,0|3,0,0]=4 3442 B14R0.2 CCCCCCCN(C)CCC=C(C)C 269982a_100000228206_100011217483 [0,1,0,0,0,0|3,0,0]=4 3443 B14R0.2 CCCCCCCN(C)CCCC(=O)C 269982a_100000228206_100011215641 [0,1,0,0,0,0|2,0,0]=3 3444 B14R0.2 CCCCCCCN(C)CCCC(=O)N 269982a_100000228206_100102525003 [0,1,0,0,0,0|3,0,0]=4 3445 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [0,1,0,0,0,0|3,0,0]=4 3446 B14R0.2 CCCCCCCN(C)CCNC(=O)C 2230a_100000228206_100000189650 [0,1,0,0,0,0|2,0,0]=3 3447 B14R0.2 CCCCCCCN(C)CCNC(=O)C 269982a_100000228206_100000189650 [0,1,0,0,0,0|2,0,0]=3 3448 B14R0.2 CCCCCCCN(C)CCNC(=O)N 2230a_100000228206_200000034859 [0,1,0,0,0,0|3,0,0]=4 3449 B14R0.2 CCCCCCCN(C)CCNC(=O)N 269982a_100000228206_200000034859 [0,1,0,0,0,0|3,0,0]=4 3450 B14R0.2 CCCCCCCN(C)CCOC(=O)C 269982a_100000228206_100009814007 [0,1,0,0,0,0|1,0,0]=2 3451 B14R0.2 CCCCCCCN(C)CCOC(=O)N 269982a_100000228206_200011214921 [0,1,0,0,0,0|2,0,0]=3 3452 B14R0.2 CCCCCCCN(C)CCOC(C)C 2230a_100000228206_100000211751 [0,1,0,0,0,0|2,0,1]=4 3453 B14R0.2 CCCCCCCN(C)CCOC(C)C 269982a_100000228206_100000211751 [0,1,0,0,0,0|2,0,1]=4 3454 B14R0.2 CCCCCCNC(=O)CCNC(=O)C 11a_100000210581_100000183196 [0,1,0,0,0,0|2,0,1]=4 3455 B14R0.2 CCCCCCNC(=O)CCNC(=O)C 1626a_100000210581_100000183196 [0,1,0,0,0,0|2,0,1]=4 3456 B14R0.2 CCCCCCNC(=O)CCNC(=O)C 240690a_100000210581_100000183196 [0,1,0,0,0,0|2,0,1]=4 3457 B14R0.2 CCCCCCNC(=O)CCNC(=O)C 527a_100000210581_100000183196 [0,1,0,0,0,0|2,0,1]=4 3458 B14R0.2 CCCCCCNC(=O)CCSC(=O)C 1626a_100000210581_100000048949 [0,1,0,0,0,0|1,1,1]=4 3459 B14R0.2 CCCCCCNC(=O)CCSC(=O)C 240690a_100000210581_100000048949 [0,1,0,0,0,0|1,1,1]=4 3460 B14R0.2 CCCCCCNC(C)CCC=C(C)C 270004a_100000210581_100000765506 [0,1,0,0,0,0|3,0,0]=4 3461 B14R0.2 CCCCCCNC(C)CCOC(C)C 270004a_100000210581_200011219172 [0,1,0,0,0,0|2,0,1]=4 3462 B14R0.2 CCCCCCOC(C)CCC=C(C)C 34a_100102619829_100000210314 [0,1,0,0,0,0|3,0,0]=4 3463 B14R0.2 CCCCCCOC(C)CCC=C(C)C 7a_100102619829_100000210314 [0,1,0,0,0,0|3,0,0]=4 3464 B14R0.2 CCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210314 [0,1,0,0,0,0|3,0,0]=4 3465 B14R0.2 CCCCCNCC(C)CCC=C(C)C 270004a_100000209983_100000033009 [0,1,0,0,0,0|3,0,0]=4 3466 B14R0.2 CCCCNCCC(C)CCC=C(C)C 2230a_100000102301_100009814015 [0,1,0,0,0,0|3,0,0]=4 3467 B14R0.2 CCCCNCCC(C)CCC=C(C)C 269862a_100000102301_100000212096 [0,1,0,0,0,0|3,0,0]=4 3468 B14R0.2 CCCCNCCC(C)CCC=C(C)C 270004a_100000102301_100000212096 [0,1,0,0,0,0|3,0,0]=4 3469 B14R0.2 CCCCNCCC(C)CCC=C(C)C 7a_106832991798_100009814015 [0,1,0,0,0,0|3,0,0]=4 3470 B14R0.2 CCCCOCCC(=O)CCNC(=O)C 1458a_100000183196_100000743108 [0,1,0,0,0,0|2,0,1]=4 3471 B14R0.2 CCCCOCCC(=O)CCSC(=O)C 1458a_100000048949_100000743108 [0,1,0,0,0,0|1,1,1]=4 3472 B14R0.2 CCCCOCCC(C)CCC=C(C)C 34a_100000017536_100000210210 [0,1,0,0,0,0|3,0,0]=4 3473 B14R0.2 CCCCOCCC(C)CCC=C(C)C 34a_100000210227_100009814015 [0,1,0,0,0,0|3,0,0]=4 3474 B14R0.2 CCCCOCCC(C)CCC=C(C)C 7a_100000017536_100000210211 [0,1,0,0,0,0|3,0,0]=4 3475 B14R0.2 CCCCOCCC(C)CCC=C(C)C 7a_100000210227_100009814015 [0,1,0,0,0,0|3,0,0]=4 3476 B14R0.2 CCCCSCCC(C)CCC=C(C)C 62a_100000210211_100009814015 [0,1,0,0,0,0|3,0,0]=4 3477 B14R0.2 CCCCSCCC(C)CCC=C(C)C 62a_100009814015_100000210210 [0,1,0,0,0,0|3,0,0]=4 3478 B14R0.2 COCCCCCC(=O)CCCC(=O)C 1458a_100011935119_100011215641 [0,1,0,0,0,0|2,0,1]=4 3479 B14R0.2 COCCCCCC(=O)CCNC(=O)C 1458a_100011935119_100000189650 [0,1,0,0,0,0|2,0,1]=4 3480 B14R0.2 COCCCCCC(=O)CCOC(=O)C 1458a_100011935119_100009814007 [0,1,0,0,0,0|1,0,1]=3 3481 B14R0.2 COCCCCCC(=O)CCOC(=O)N 1458a_100011935119_200011214921 [0,1,0,0,0,0|2,0,1]=4 3482 B14R0.2 COCCOCCC(=O)CCOC(=O)C 1458a_100000745395_100009814007 [0,1,0,0,0,0|2,0,1]=4 3483 B14R0.2 NC(=O)OCCC(=O)CCCCCCO 1458a_100011996774_200011214921 [0,1,0,0,0,0|2,0,1]=4 3484 B14R0.68 C=C(Br)CCOCCCCCOC(=O)C 34a_100009813270_100000033007 [0,1,0,0,0,0|1,0,2]=4 3485 B14R0.68 C=C(C)CCNCCCCCCC(C)C 2230a_100000211014_100000730704 [0,1,0,0,0,0|3,0,0]=4 3486 B14R0.68 C=C(C)CCNCCCCCCC(C)C 34a_100000211014_100000730704 [0,1,0,0,0,0|3,0,0]=4 3487 B14R0.68 C=C(C)CCNCCCCCNC(=O)C 2230a_200012022750_100000730704 [0,1,0,0,0,0|2,0,1]=4 3488 B14R0.68 C=C(C)CCNCCCCCNC(=O)C 34a_200012022750_100000730704 [0,1,0,0,0,0|2,0,1]=4 3489 B14R0.68 C=C(C)CCOCCCCCOC(=O)C 34a_100000764851_100000033007 [0,1,0,0,0,0|1,0,1]=3 3490 B14R0.68 C=C(C)CCOCCOCCOC(=O)C 34a_100000764851_200000083610 [0,1,0,0,0,0|2,0,1]=4 3491 B14R0.68 C=C(C)CCSCCCCCOC(=O)C 62a_100000033007_100000730704 [0,1,0,0,0,0|1,0,1]=3 3492 B14R0.68 C=C(C)CCSCCCCCOC(=O)C 62a_100000730704_100000033007 [0,1,0,0,0,0|1,0,1]=3 3493 B14R0.68 C=C(C)CCSCCOCCOC(=O)C 62a_100000730704_200000083610 [0,1,0,0,0,0|2,0,1]=4 3494 B14R0.68 C=C(C)CCSCCOCCOC(=O)C 62a_200000083610_100000730704 [0,1,0,0,0,0|2,0,1]=4 3495 B14R0.68 C=C(C)CNCCCCCCNC(=O)C 2230a_200011996284_100000748629 [0,1,0,0,0,0|2,0,1]=4 3496 B14R0.68 C=C(C)CNCCCCCCNC(=O)C 34a_200011996284_100000748629 [0,1,0,0,0,0|2,0,1]=4 3497 B14R0.68 C=C(C)COCCCCCCCC(C)C 34a_200000210741_100000748629 [0,1,0,0,0,0|3,0,0]=4 3498 B14R0.68 C=C(C)COCCCCCCCC(C)C 7a_200000210741_100000748629 [0,1,0,0,0,0|3,0,0]=4 3499 B14R0.68 CC(=CCCNCCCCCC(C)C)C 2230a_100011290863_100011217483 [0,1,0,0,0,0|3,0,0]=4 3500 B14R0.68 CC(=CCCNCCCCCC(C)C)C 34a_100011290863_100011217483 [0,1,0,0,0,0|3,0,0]=4 3501 B14R0.68 CC(=CCCOCCCCCC(C)C)C 34a_100011995859_100011217483 [0,1,0,0,0,0|3,0,0]=4 3502 B14R0.68 CC(=CCCOCCCCCC(C)C)C 7a_100011995859_100011217483 [0,1,0,0,0,0|3,0,0]=4 3503 B14R0.68 CC(=CCCSCCCCCC(C)C)C 62a_100000210682_100011217483 [0,1,0,0,0,0|3,0,0]=4 3504 B14R0.68 CC(=CCCSCCCCCC(C)C)C 62a_100011217483_100000210682 [0,1,0,0,0,0|3,0,0]=4 3505 B14R0.68 CC(=CCNCCCCCCC(C)C)C 2230a_100000211014_100000761012 [0,1,0,0,0,0|3,0,0]=4 3506 B14R0.68 CC(=CCNCCCCCCC(C)C)C 34a_100000211014_100000761012 [0,1,0,0,0,0|3,0,0]=4 3507 B14R0.68 CC(=O)CCCCNCCCNC(=O)C 34a_100000736810_100009817362 [0,1,0,0,0,0|2,0,1]=4 3508 B14R0.68 CC(=O)CCCCNCCCOC(C)C 34a_100000737246_100009817362 [0,1,0,0,0,0|3,0,0]=4 3509 B14R0.68 CC(=O)CCCCOCCCCC(C)C 34a_100011214890_100009817362 [0,1,0,0,0,0|2,0,0]=3 3510 B14R0.68 CC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000735457 [0,1,0,0,0,0|2,0,0]=3 3511 B14R0.68 CC(=O)CCCCOCCCNC(=O)C 34a_100000752032_100009817362 [0,1,0,0,0,0|2,0,1]=4 3512 B14R0.68 CC(=O)CCCCOCCCNC(C)C 34a_100000182298_100009817362 [0,1,0,0,0,0|3,0,0]=4 3513 B14R0.68 CC(=O)CCCCOCCNCC(C)C 34a_100015185251_100009817362 [0,1,0,0,0,0|3,0,0]=4 3514 B14R0.68 CC(=O)CCCCOCCOCC(C)C 34a_100000703358_100009817362 [0,1,0,0,0,0|3,0,0]=4 3515 B14R0.68 CC(=O)CCCCOCCOCC(C)C 7a_100000703358_100000735457 [0,1,0,0,0,0|3,0,0]=4 3516 B14R0.68 CC(=O)CCCCOCCSCC(C)C 34a_200000230437_100009817362 [0,1,0,0,0,0|3,0,0]=4 3517 B14R0.68 CC(=O)CCCCOCCSCC(C)C 7a_200000230437_100000735457 [0,1,0,0,0,0|3,0,0]=4 3518 B14R0.68 CC(=O)CCCCSCCCCC(=O)C 62a_100000735457_100000735457 [0,1,0,0,0,0|2,0,1]=4 3519 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100000735457_100011216152 [0,1,0,0,0,0|2,0,0]=3 3520 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000735457 [0,1,0,0,0,0|2,0,0]=3 3521 B14R0.68 CC(=O)CCCCSCCCCN(C)C 62a_100000735457_100000690147 [0,1,0,0,0,0|3,0,0]=4 3522 B14R0.68 CC(=O)CCCCSCCCOC(=O)C 62a_100000042594_100000735457 [0,1,0,0,0,0|1,0,1]=3 3523 B14R0.68 CC(=O)CCCCSCCCOC(=O)C 62a_100000735457_100000042594 [0,1,0,0,0,0|1,0,1]=3 3524 B14R0.68 CC(=O)CCCCSCCCOC(=S)C 62a_100000735457_200135323944 [0,1,0,0,0,0|1,1,1]=4 3525 B14R0.68 CC(=O)CCCCSCCCOC(=S)C 62a_200135323944_100000735457 [0,1,0,0,0,0|1,1,1]=4 3526 B14R0.68 CC(=O)CCCCSCCCSC(=O)C 62a_100000038929_100000735457 [0,1,0,0,0,0|1,1,1]=4 3527 B14R0.68 CC(=O)CCCCSCCCSC(=O)C 62a_100000735457_100000038929 [0,1,0,0,0,0|1,1,1]=4 3528 B14R0.68 CC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000685027 [0,1,0,0,0,0|2,0,0]=3 3529 B14R0.68 CC(=O)CCCNCCCCNC(=O)C 34a_200011368371_100000685027 [0,1,0,0,0,0|2,0,1]=4 3530 B14R0.68 CC(=O)CCCNCCCOCC(C)C 34a_100000205972_100000685027 [0,1,0,0,0,0|3,0,0]=4 3531 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100000759063_100000210682 [0,1,0,0,0,0|2,0,0]=3 3532 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000685027 [0,1,0,0,0,0|2,0,0]=3 3533 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100000759063_100000210682 [0,1,0,0,0,0|2,0,0]=3 3534 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011215641 [0,1,0,0,0,0|2,0,0]=3 3535 B14R0.68 CC(=O)CCCOCCCCNC(C)C 34a_100011521146_100000685027 [0,1,0,0,0,0|3,0,0]=4 3536 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 34a_100000073216_100000685027 [0,1,0,0,0,0|1,0,1]=3 3537 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 34a_100000759063_100000033659 [0,1,0,0,0,0|1,0,1]=3 3538 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 7a_100000073216_100011215641 [0,1,0,0,0,0|1,0,1]=3 3539 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 7a_100000759063_100000033659 [0,1,0,0,0,0|1,0,1]=3 3540 B14R0.68 CC(=O)CCCOCCCCSC(=O)C 34a_100000759063_200010402107 [0,1,0,0,0,0|1,1,1]=4 3541 B14R0.68 CC(=O)CCCOCCCCSC(=O)C 7a_100000759063_200010402107 [0,1,0,0,0,0|1,1,1]=4 3542 B14R0.68 CC(=O)CCCOCOCCOC(=O)C 34a_100000759063_100000076355 [0,1,0,0,0,0|2,0,1]=4 3543 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011215641 [0,1,0,0,0,0|2,0,0]=3 3544 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100011215641_100000210682 [0,1,0,0,0,0|2,0,0]=3 3545 B14R0.68 CC(=O)CCCSCCCCOC(=O)C 62a_100000033659_100011215641 [0,1,0,0,0,0|1,0,1]=3 3546 B14R0.68 CC(=O)CCCSCCCCOC(=O)C 62a_100011215641_100000033659 [0,1,0,0,0,0|1,0,1]=3 3547 B14R0.68 CC(=O)CCCSCCCCSC(=O)C 62a_100011215641_200010402107 [0,1,0,0,0,0|1,1,1]=4 3548 B14R0.68 CC(=O)CCCSCCCCSC(=O)C 62a_200010402107_100011215641 [0,1,0,0,0,0|1,1,1]=4 3549 B14R0.68 CC(=O)CCCSCOCCOC(=O)C 62a_100000076355_100011215641 [0,1,0,0,0,0|2,0,1]=4 3550 B14R0.68 CC(=O)CCCSCOCCOC(=O)C 62a_100011215641_100000076355 [0,1,0,0,0,0|2,0,1]=4 3551 B14R0.68 CC(=O)CCOCCCCCOC(=O)C 34a_100000759926_100000033007 [0,1,0,0,0,0|1,0,1]=3 3552 B14R0.68 CC(=O)CCOCCCCCOC(=O)C 7a_100000759926_100000033007 [0,1,0,0,0,0|1,0,1]=3 3553 B14R0.68 CC(=O)CCOCCOCCOC(=O)C 34a_100000759926_200000083610 [0,1,0,0,0,0|2,0,1]=4 3554 B14R0.68 CC(=O)CCOCCOCCOC(=O)C 7a_100000759926_200000083610 [0,1,0,0,0,0|2,0,1]=4 3555 B14R0.68 CC(=O)CCSCCCCCOC(=O)C 62a_100000033007_100000053229 [0,1,0,0,0,0|1,0,1]=3 3556 B14R0.68 CC(=O)CCSCCCCCOC(=O)C 62a_100000053229_100000033007 [0,1,0,0,0,0|1,0,1]=3 3557 B14R0.68 CC(=O)CCSCCOCCOC(=O)C 62a_100000053229_200000083610 [0,1,0,0,0,0|2,0,1]=4 3558 B14R0.68 CC(=O)CCSCCOCCOC(=O)C 62a_200000083610_100000053229 [0,1,0,0,0,0|2,0,1]=4 3559 B14R0.68 CC(=O)NCCCCCCNCC(C)C 2230a_200011996284_100000210760 [0,1,0,0,0,0|2,0,0]=3 3560 B14R0.68 CC(=O)NCCCCCCNCC(C)C 270004a_200011996284_100000210432 [0,1,0,0,0,0|2,0,0]=3 3561 B14R0.68 CC(=O)NCCCCCCNCC(C)C 34a_200011996284_100000210624 [0,1,0,0,0,0|2,0,0]=3 3562 B14R0.68 CC(=O)NCCCCCCNCC(C)O 2230a_200011996284_100011218427 [0,1,0,0,0,0|2,0,0]=3 3563 B14R0.68 CC(=O)NCCCCCCNCC(C)O 34a_200011996284_100011218427 [0,1,0,0,0,0|2,0,0]=3 3564 B14R0.68 CC(=O)NCCCCCCNCC(F)F 2230a_200011996284_100011934356 [0,1,0,0,0,0|3,0,0]=4 3565 B14R0.68 CC(=O)NCCCCCCNCC(F)F 34a_200011996284_100011934356 [0,1,0,0,0,0|3,0,0]=4 3566 B14R0.68 CC(=O)NCCCCCCNC[C@@H](C)O 2230a_200011996284_100009817552 [0,1,0,0,0,0|2,0,0]=3 3567 B14R0.68 CC(=O)NCCCCCCNC[C@@H](C)O 34a_200011996284_100009817552 [0,1,0,0,0,0|2,0,0]=3 3568 B14R0.68 CC(=O)NCCCCCNCCC(C)C 2230a_200012022750_100000210312 [0,1,0,0,0,0|2,0,0]=3 3569 B14R0.68 CC(=O)NCCCCCNCCC(C)C 269862a_200012022750_100000185833 [0,1,0,0,0,0|2,0,0]=3 3570 B14R0.68 CC(=O)NCCCCCNCCC(C)C 34a_200012022750_100000210312 [0,1,0,0,0,0|2,0,0]=3 3571 B14R0.68 CC(=O)NCCCCCNCCC(C)O 2230a_200012022750_100012276601 [0,1,0,0,0,0|2,0,0]=3 3572 B14R0.68 CC(=O)NCCCCCNCCC(C)O 34a_200012022750_100012276601 [0,1,0,0,0,0|2,0,0]=3 3573 B14R0.68 CC(=O)NCCCCCNCOC(=O)C 34a_200012022750_100009813279 [0,1,0,0,0,0|2,0,1]=4 3574 B14R0.68 CC(=O)NCCCCCNCOC(C)C 2230a_200012022750_100000709892 [0,1,0,0,0,0|3,0,0]=4 3575 B14R0.68 CC(=O)NCCCCCNCOC(C)C 34a_200012022750_100000709892 [0,1,0,0,0,0|3,0,0]=4 3576 B14R0.68 CC(=O)NCCCCNCCCC(C)C 2230a_200011368371_100011214892 [0,1,0,0,0,0|2,0,0]=3 3577 B14R0.68 CC(=O)NCCCCNCCCC(C)C 34a_200011368371_100011214892 [0,1,0,0,0,0|2,0,0]=3 3578 B14R0.68 CC(=O)NCCCCNCCCC(C)O 2230a_200011368371_200000718107 [0,1,0,0,0,0|2,0,0]=3 3579 B14R0.68 CC(=O)NCCCCNCCCC(C)O 34a_200011368371_200000718107 [0,1,0,0,0,0|2,0,0]=3 3580 B14R0.68 CC(=O)NCCCCNCCOC(=O)C 34a_200011368371_100009814007 [0,1,0,0,0,0|2,0,1]=4 3581 B14R0.68 CC(=O)NCCCCNCCOC(C)C 2230a_200011368371_100000211751 [0,1,0,0,0,0|3,0,0]=4 3582 B14R0.68 CC(=O)NCCCCNCCOC(C)C 34a_200011368371_100000211751 [0,1,0,0,0,0|3,0,0]=4 3583 B14R0.68 CC(=O)NCCCCNCCSC(C)C 2230a_200011368371_100000730970 [0,1,0,0,0,0|3,0,0]=4 3584 B14R0.68 CC(=O)NCCCCNCCSC(C)C 34a_200011368371_100000730970 [0,1,0,0,0,0|3,0,0]=4 3585 B14R0.68 CC(=O)NCCCNCCCCC(C)C 34a_100000736810_100011216152 [0,1,0,0,0,0|2,0,0]=3 3586 B14R0.68 CC(=O)NCCCNCCCOC(=O)C 34a_100000736810_100000042594 [0,1,0,0,0,0|2,0,1]=4 3587 B14R0.68 CC(=O)NCCCOCCCCC(C)C 34a_100000752032_100011216152 [0,1,0,0,0,0|2,0,0]=3 3588 B14R0.68 CC(=O)NCCCOCCCOC(=O)C 34a_100000752032_100000042594 [0,1,0,0,0,0|2,0,1]=4 3589 B14R0.68 CC(=O)NCCNCCCCCC(C)C 2230a_100000209853_100000210682 [0,1,0,0,0,0|2,0,0]=3 3590 B14R0.68 CC(=O)NCCNCCCCCC(C)C 2230a_100011290863_100000189650 [0,1,0,0,0,0|2,0,0]=3 3591 B14R0.68 CC(=O)NCCNCCCOCC(C)C 2230a_100000205972_100000189650 [0,1,0,0,0,0|3,0,0]=4 3592 B14R0.68 CC(=O)NCCOCCCCCC(C)C 34a_100000158858_100000210682 [0,1,0,0,0,0|2,0,0]=3 3593 B14R0.68 CC(=O)NCCOCCCCCC(C)C 7a_100011995859_100000189650 [0,1,0,0,0,0|2,0,0]=3 3594 B14R0.68 CC(=O)NCCOCCCCOC(=O)C 34a_100000158858_100000033659 [0,1,0,0,0,0|2,0,1]=4 3595 B14R0.68 CC(=O)NCCOCCCCOC(=O)C 7a_100000073216_100000189650 [0,1,0,0,0,0|2,0,1]=4 3596 B14R0.68 CC(=O)NCCSCCCCCC(C)C 62a_100000189650_100000210682 [0,1,0,0,0,0|2,0,0]=3 3597 B14R0.68 CC(=O)NCCSCCCCCC(C)C 62a_100000210682_100000189650 [0,1,0,0,0,0|2,0,0]=3 3598 B14R0.68 CC(=O)NCCSCCCCOC(=O)C 62a_100000033659_100000189650 [0,1,0,0,0,0|2,0,1]=4 3599 B14R0.68 CC(=O)NCCSCCCCOC(=O)C 62a_100000189650_100000033659 [0,1,0,0,0,0|2,0,1]=4 3600 B14R0.68 CC(=O)OCCCCCNCC=C(C)C 34a_100000718196_100000033007 [0,1,0,0,0,0|1,0,2]=4 3601 B14R0.68 CC(=O)OCCCCCNCCC(C)O 2230a_200000755665_100009813381 [0,1,0,0,0,0|1,0,0]=2 3602 B14R0.68 CC(=O)OCCCCCOCC=C(C)C 34a_100000753907_100000033007 [0,1,0,0,0,0|1,0,2]=4 3603 B14R0.68 CC(=O)OCCCCCOCCC(=O)N 34a_100000757172_100000033007 [0,1,0,0,0,0|2,0,1]=4 3604 B14R0.68 CC(=O)OCCCCCOCCC(=O)N 7a_100000757172_100000033007 [0,1,0,0,0,0|2,0,1]=4 3605 B14R0.68 CC(=O)OCCCCCOCCC(C)Br 34a_100009893172_100000033007 [0,1,0,0,0,0|1,0,0]=2 3606 B14R0.68 CC(=O)OCCCCCOCCC(C)C 34a_100000210254_100000033007 [0,1,0,0,0,0|1,0,0]=2 3607 B14R0.68 CC(=O)OCCCCCOCCC(C)C 7a_100000210254_100000033007 [0,1,0,0,0,0|1,0,0]=2 3608 B14R0.68 CC(=O)OCCCCCOCCC(F)F 34a_100103093639_100000033007 [0,1,0,0,0,0|2,0,0]=3 3609 B14R0.68 CC(=O)OCCCCCOCC[C@@H](C)N 34a_100000706166_100000033007 [0,1,0,0,0,0|1,0,0]=2 3610 B14R0.68 CC(=O)OCCCCCSCC=C(C)C 62a_100000033007_100000761012 [0,1,0,0,0,0|1,0,2]=4 3611 B14R0.68 CC(=O)OCCCCCSCC=C(C)C 62a_100000761012_100000033007 [0,1,0,0,0,0|1,0,2]=4 3612 B14R0.68 CC(=O)OCCCCCSCCC(=O)N 62a_100000033007_100000744528 [0,1,0,0,0,0|2,0,1]=4 3613 B14R0.68 CC(=O)OCCCCCSCCC(=O)N 62a_100000744528_100000033007 [0,1,0,0,0,0|2,0,1]=4 3614 B14R0.68 CC(=O)OCCCCCSCCC(C)C 62a_100000033007_100000210312 [0,1,0,0,0,0|1,0,0]=2 3615 B14R0.68 CC(=O)OCCCCCSCCC(C)C 62a_100000210312_100000033007 [0,1,0,0,0,0|1,0,0]=2 3616 B14R0.68 CC(=O)OCCCCCSCCC(C)O 62a_100000033007_100012276601 [0,1,0,0,0,0|1,0,0]=2 3617 B14R0.68 CC(=O)OCCCCCSCCC(C)O 62a_100012276601_100000033007 [0,1,0,0,0,0|1,0,0]=2 3618 B14R0.68 CC(=O)OCCCCCSCCN(C)C 62a_100000033007_100000755713 [0,1,0,0,0,0|2,0,0]=3 3619 B14R0.68 CC(=O)OCCCCCSCOC(=O)C 62a_100000033007_100000076356 [0,1,0,0,0,0|2,0,1]=4 3620 B14R0.68 CC(=O)OCCCCCSCOC(=O)C 62a_100000076356_100000033007 [0,1,0,0,0,0|2,0,1]=4 3621 B14R0.68 CC(=O)OCCCCCSCOC(C)C 62a_100000033007_100000709892 [0,1,0,0,0,0|2,0,0]=3 3622 B14R0.68 CC(=O)OCCCCCSCOC(C)C 62a_100000709892_100000033007 [0,1,0,0,0,0|2,0,0]=3 3623 B14R0.68 CC(=O)OCCCCNCCCC(=O)N 34a_100000739312_100000033659 [0,1,0,0,0,0|2,0,1]=4 3624 B14R0.68 CC(=O)OCCCCNCCCC(C)C 34a_200000737386_100000033659 [0,1,0,0,0,0|1,0,0]=2 3625 B14R0.68 CC(=O)OCCCCNCCOC(C)C 34a_100000701111_100000033659 [0,1,0,0,0,0|2,0,0]=3 3626 B14R0.68 CC(=O)OCCCCNCCSC(C)C 34a_100000731138_100000033659 [0,1,0,0,0,0|2,0,0]=3 3627 B14R0.68 CC(=O)OCCCCOCCC=C(C)C 34a_100000073216_100011217483 [0,1,0,0,0,0|1,0,2]=4 3628 B14R0.68 CC(=O)OCCCCOCCC=C(C)C 7a_100000073216_100011217483 [0,1,0,0,0,0|1,0,2]=4 3629 B14R0.68 CC(=O)OCCCCOCCCC(=O)N 34a_100000073216_100102525003 [0,1,0,0,0,0|2,0,1]=4 3630 B14R0.68 CC(=O)OCCCCOCCCC(=O)N 7a_100000073216_100102525003 [0,1,0,0,0,0|2,0,1]=4 3631 B14R0.68 CC(=O)OCCCCOCCCC(C)C 34a_100000073216_100011214892 [0,1,0,0,0,0|1,0,0]=2 3632 B14R0.68 CC(=O)OCCCCOCCCC(C)C 34a_100000210774_100000033659 [0,1,0,0,0,0|1,0,0]=2 3633 B14R0.68 CC(=O)OCCCCOCCCC(C)C 7a_100000073216_100011214892 [0,1,0,0,0,0|1,0,0]=2 3634 B14R0.68 CC(=O)OCCCCOCCCC(C)C 7a_100000210774_100000033659 [0,1,0,0,0,0|1,0,0]=2 3635 B14R0.68 CC(=O)OCCCCOCCCC(C)O 34a_100000073216_200000718107 [0,1,0,0,0,0|1,0,0]=2 3636 B14R0.68 CC(=O)OCCCCOCCCC(C)O 7a_100000073216_200000718107 [0,1,0,0,0,0|1,0,0]=2 3637 B14R0.68 CC(=O)OCCCCOCCCN(C)C 7a_100000073216_100000757444 [0,1,0,0,0,0|2,0,0]=3 3638 B14R0.68 CC(=O)OCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000033659 [0,1,0,0,0,0|3,0,0]=4 3639 B14R0.68 CC(=O)OCCCCOCCNC(C)C 34a_100000224655_100000033659 [0,1,0,0,0,0|2,0,0]=3 3640 B14R0.68 CC(=O)OCCCCOCCOC(=O)C 34a_100000073216_100009814007 [0,1,0,0,0,0|2,0,1]=4 3641 B14R0.68 CC(=O)OCCCCOCCOC(=O)C 7a_100000073216_100009814007 [0,1,0,0,0,0|2,0,1]=4 3642 B14R0.68 CC(=O)OCCCCOCCOC(C)C 34a_100000073216_100000211751 [0,1,0,0,0,0|2,0,0]=3 3643 B14R0.68 CC(=O)OCCCCOCCOC(C)C 34a_100000211219_100000033659 [0,1,0,0,0,0|2,0,0]=3 3644 B14R0.68 CC(=O)OCCCCOCCOC(C)C 7a_100000073216_100000211751 [0,1,0,0,0,0|2,0,0]=3 3645 B14R0.68 CC(=O)OCCCCOCCOC(C)C 7a_100000211219_100000033659 [0,1,0,0,0,0|2,0,0]=3 3646 B14R0.68 CC(=O)OCCCCOCCSC(C)C 34a_100000073216_100000730970 [0,1,0,0,0,0|2,0,0]=3 3647 B14R0.68 CC(=O)OCCCCOCCSC(C)C 34a_200011212901_100000033659 [0,1,0,0,0,0|2,0,0]=3 3648 B14R0.68 CC(=O)OCCCCOCCSC(C)C 7a_100000073216_100000730970 [0,1,0,0,0,0|2,0,0]=3 3649 B14R0.68 CC(=O)OCCCCOCCSC(C)C 7a_200011212901_100000033659 [0,1,0,0,0,0|2,0,0]=3 3650 B14R0.68 CC(=O)OCCCCSCCC=C(C)C 62a_100000033659_100011217483 [0,1,0,0,0,0|1,0,2]=4 3651 B14R0.68 CC(=O)OCCCCSCCC=C(C)C 62a_100011217483_100000033659 [0,1,0,0,0,0|1,0,2]=4 3652 B14R0.68 CC(=O)OCCCCSCCCC(=O)N 62a_100000033659_100102525003 [0,1,0,0,0,0|2,0,1]=4 3653 B14R0.68 CC(=O)OCCCCSCCCC(=O)N 62a_100102525003_100000033659 [0,1,0,0,0,0|2,0,1]=4 3654 B14R0.68 CC(=O)OCCCCSCCCC(C)C 62a_100000033659_100011214892 [0,1,0,0,0,0|1,0,0]=2 3655 B14R0.68 CC(=O)OCCCCSCCCC(C)C 62a_100011214892_100000033659 [0,1,0,0,0,0|1,0,0]=2 3656 B14R0.68 CC(=O)OCCCCSCCCC(C)O 62a_100000033659_200000718107 [0,1,0,0,0,0|1,0,0]=2 3657 B14R0.68 CC(=O)OCCCCSCCCC(C)O 62a_200000718107_100000033659 [0,1,0,0,0,0|1,0,0]=2 3658 B14R0.68 CC(=O)OCCCCSCCCN(C)C 62a_100000033659_100000757444 [0,1,0,0,0,0|2,0,0]=3 3659 B14R0.68 CC(=O)OCCCCSCCOC(=O)C 62a_100000033659_100009814007 [0,1,0,0,0,0|2,0,1]=4 3660 B14R0.68 CC(=O)OCCCCSCCOC(=O)C 62a_100009814007_100000033659 [0,1,0,0,0,0|2,0,1]=4 3661 B14R0.68 CC(=O)OCCCCSCCOC(C)C 62a_100000033659_100000211751 [0,1,0,0,0,0|2,0,0]=3 3662 B14R0.68 CC(=O)OCCCCSCCOC(C)C 62a_100000211751_100000033659 [0,1,0,0,0,0|2,0,0]=3 3663 B14R0.68 CC(=O)OCCCCSCCSC(C)C 62a_100000033659_100000730970 [0,1,0,0,0,0|2,0,0]=3 3664 B14R0.68 CC(=O)OCCCCSCCSC(C)C 62a_100000730970_100000033659 [0,1,0,0,0,0|2,0,0]=3 3665 B14R0.68 CC(=O)OCCCNCCCCC(=O)N 34a_100000696515_100000042594 [0,1,0,0,0,0|2,0,1]=4 3666 B14R0.68 CC(=O)OCCCNCCCOC(C)C 34a_100000737246_100000042594 [0,1,0,0,0,0|2,0,0]=3 3667 B14R0.68 CC(=O)OCCCOCCCCC(=O)N 34a_100012022536_100000042594 [0,1,0,0,0,0|2,0,1]=4 3668 B14R0.68 CC(=O)OCCCOCCCCC(=O)N 7a_100012022536_100000042594 [0,1,0,0,0,0|2,0,1]=4 3669 B14R0.68 CC(=O)OCCCOCCCCC(C)C 34a_100011214890_100000042594 [0,1,0,0,0,0|1,0,0]=2 3670 B14R0.68 CC(=O)OCCCOCCCCC(C)C 7a_100011214890_100000042594 [0,1,0,0,0,0|1,0,0]=2 3671 B14R0.68 CC(=O)OCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000042594 [0,1,0,0,0,0|3,0,0]=4 3672 B14R0.68 CC(=O)OCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000042594 [0,1,0,0,0,0|3,0,0]=4 3673 B14R0.68 CC(=O)OCCCOCCCNC(C)C 34a_100000182298_100000042594 [0,1,0,0,0,0|2,0,0]=3 3674 B14R0.68 CC(=O)OCCCOCCNCC(C)C 34a_100015185251_100000042594 [0,1,0,0,0,0|2,0,0]=3 3675 B14R0.68 CC(=O)OCCCOCCOCC(C)C 34a_100000703358_100000042594 [0,1,0,0,0,0|2,0,0]=3 3676 B14R0.68 CC(=O)OCCCOCCOCC(C)C 7a_100000703358_100000042594 [0,1,0,0,0,0|2,0,0]=3 3677 B14R0.68 CC(=O)OCCCOCCOCC(F)F 34a_100000704375_100000042594 [0,1,0,0,0,0|3,0,0]=4 3678 B14R0.68 CC(=O)OCCCOCCOCC(F)F 7a_100000704375_100000042594 [0,1,0,0,0,0|3,0,0]=4 3679 B14R0.68 CC(=O)OCCCOCCSCC(C)C 34a_200000230437_100000042594 [0,1,0,0,0,0|2,0,0]=3 3680 B14R0.68 CC(=O)OCCCOCCSCC(C)C 7a_200000230437_100000042594 [0,1,0,0,0,0|2,0,0]=3 3681 B14R0.68 CC(=O)OCCCSCCCCB(O)O 62a_100000042594_200009817182 [0,1,0,0,0,0|3,0,0]=4 3682 B14R0.68 CC(=O)OCCCSCCCCB(O)O 62a_200009817182_100000042594 [0,1,0,0,0,0|3,0,0]=4 3683 B14R0.68 CC(=O)OCCCSCCCCC(C)C 62a_100000042594_100011216152 [0,1,0,0,0,0|1,0,0]=2 3684 B14R0.68 CC(=O)OCCCSCCCCC(C)C 62a_100011216152_100000042594 [0,1,0,0,0,0|1,0,0]=2 3685 B14R0.68 CC(=O)OCCCSCCCCN(C)C 62a_100000042594_100000690147 [0,1,0,0,0,0|2,0,0]=3 3686 B14R0.68 CC(=O)OCCCSCCCOC(=O)C 62a_100000042594_100000042594 [0,1,0,0,0,0|2,0,1]=4 3687 B14R0.68 CC(=O)OCCCSCCCOC(=S)C 62a_100000042594_200135323944 [0,1,0,0,0,0|2,0,1]=4 3688 B14R0.68 CC(=O)OCCCSCCCOC(=S)C 62a_200135323944_100000042594 [0,1,0,0,0,0|2,0,1]=4 3689 B14R0.68 CC(=O)OCCCSCCCSC(=O)C 62a_100000038929_100000042594 [0,1,0,0,0,0|2,0,1]=4 3690 B14R0.68 CC(=O)OCCCSCCCSC(=O)C 62a_100000042594_100000038929 [0,1,0,0,0,0|2,0,1]=4 3691 B14R0.68 CC(=O)OCCCSCCOCC(F)F 62a_100000042594_200012177212 [0,1,0,0,0,0|3,0,0]=4 3692 B14R0.68 CC(=O)OCCCSCCOCC(F)F 62a_200012177212_100000042594 [0,1,0,0,0,0|3,0,0]=4 3693 B14R0.68 CC(=O)OCCNCCCCCC(C)C 34a_100011290863_100009814007 [0,1,0,0,0,0|1,0,0]=2 3694 B14R0.68 CC(=O)OCCNCCCOCC(C)C 34a_100000205972_100009814007 [0,1,0,0,0,0|2,0,0]=3 3695 B14R0.68 CC(=O)OCCOCCCCCC(=O)N 34a_100000123541_100009814007 [0,1,0,0,0,0|2,0,1]=4 3696 B14R0.68 CC(=O)OCCOCCCCCC(=O)N 7a_100000123541_100009814007 [0,1,0,0,0,0|2,0,1]=4 3697 B14R0.68 CC(=O)OCCOCCCCCC(=O)[O-] 7a_100102619762_100009814007 [0,1,0,0,0,0|2,0,1]=4 3698 B14R0.68 CC(=O)OCCOCCCCCC(C)C 34a_100011995859_100009814007 [0,1,0,0,0,0|1,0,0]=2 3699 B14R0.68 CC(=O)OCCOCCCCCC(C)C 7a_100011995859_100009814007 [0,1,0,0,0,0|1,0,0]=2 3700 B14R0.68 CC(=O)OCCOCCCCNC(C)C 34a_100011521146_100009814007 [0,1,0,0,0,0|2,0,0]=3 3701 B14R0.68 CC(=O)OCCOCCNCCC(C)O 2230a_200000755665_200000083610 [0,1,0,0,0,0|2,0,0]=3 3702 B14R0.68 CC(=O)OCCOCCOCCC(C)Br 34a_100009893172_200000083610 [0,1,0,0,0,0|2,0,0]=3 3703 B14R0.68 CC(=O)OCCOCCOCCC(C)C 34a_100000210254_200000083610 [0,1,0,0,0,0|2,0,0]=3 3704 B14R0.68 CC(=O)OCCOCCOCCC(C)C 7a_100000210254_200000083610 [0,1,0,0,0,0|2,0,0]=3 3705 B14R0.68 CC(=O)OCCOCCOCCC(F)F 34a_100103093639_200000083610 [0,1,0,0,0,0|3,0,0]=4 3706 B14R0.68 CC(=O)OCCOCCOCC[C@@H](C)N 34a_100000706166_200000083610 [0,1,0,0,0,0|2,0,0]=3 3707 B14R0.68 CC(=O)OCCOCCSCCC(C)C 62a_100000210312_200000083610 [0,1,0,0,0,0|2,0,0]=3 3708 B14R0.68 CC(=O)OCCOCCSCCC(C)C 62a_200000083610_100000210312 [0,1,0,0,0,0|2,0,0]=3 3709 B14R0.68 CC(=O)OCCOCCSCCC(C)O 62a_100012276601_200000083610 [0,1,0,0,0,0|2,0,0]=3 3710 B14R0.68 CC(=O)OCCOCCSCCC(C)O 62a_200000083610_100012276601 [0,1,0,0,0,0|2,0,0]=3 3711 B14R0.68 CC(=O)OCCOCCSCCN(C)C 62a_200000083610_100000755713 [0,1,0,0,0,0|3,0,0]=4 3712 B14R0.68 CC(=O)OCCOCCSCOC(C)C 62a_100000709892_200000083610 [0,1,0,0,0,0|3,0,0]=4 3713 B14R0.68 CC(=O)OCCOCCSCOC(C)C 62a_200000083610_100000709892 [0,1,0,0,0,0|3,0,0]=4 3714 B14R0.68 CC(=O)OCCOCNCCCC(C)C 34a_200000737386_100000076355 [0,1,0,0,0,0|2,0,0]=3 3715 B14R0.68 CC(=O)OCCOCNCCOC(C)C 34a_100000701111_100000076355 [0,1,0,0,0,0|3,0,0]=4 3716 B14R0.68 CC(=O)OCCOCNCCSC(C)C 34a_100000731138_100000076355 [0,1,0,0,0,0|3,0,0]=4 3717 B14R0.68 CC(=O)OCCOCOCCCC(C)C 34a_100000210774_100000076355 [0,1,0,0,0,0|2,0,0]=3 3718 B14R0.68 CC(=O)OCCOCOCCNC(C)C 34a_100000224655_100000076355 [0,1,0,0,0,0|3,0,0]=4 3719 B14R0.68 CC(=O)OCCOCOCCOC(C)C 34a_100000211219_100000076355 [0,1,0,0,0,0|3,0,0]=4 3720 B14R0.68 CC(=O)OCCOCOCCSC(C)C 34a_200011212901_100000076355 [0,1,0,0,0,0|3,0,0]=4 3721 B14R0.68 CC(=O)OCCOCSCCCC(C)C 62a_100000076355_100011214892 [0,1,0,0,0,0|2,0,0]=3 3722 B14R0.68 CC(=O)OCCOCSCCCC(C)C 62a_100011214892_100000076355 [0,1,0,0,0,0|2,0,0]=3 3723 B14R0.68 CC(=O)OCCOCSCCCC(C)O 62a_100000076355_200000718107 [0,1,0,0,0,0|2,0,0]=3 3724 B14R0.68 CC(=O)OCCOCSCCCC(C)O 62a_200000718107_100000076355 [0,1,0,0,0,0|2,0,0]=3 3725 B14R0.68 CC(=O)OCCOCSCCCN(C)C 62a_100000076355_100000757444 [0,1,0,0,0,0|3,0,0]=4 3726 B14R0.68 CC(=O)OCCOCSCCOC(C)C 62a_100000076355_100000211751 [0,1,0,0,0,0|3,0,0]=4 3727 B14R0.68 CC(=O)OCCOCSCCOC(C)C 62a_100000211751_100000076355 [0,1,0,0,0,0|3,0,0]=4 3728 B14R0.68 CC(=O)OCCOCSCCSC(C)C 62a_100000076355_100000730970 [0,1,0,0,0,0|3,0,0]=4 3729 B14R0.68 CC(=O)OCCOCSCCSC(C)C 62a_100000730970_100000076355 [0,1,0,0,0,0|3,0,0]=4 3730 B14R0.68 CC(=O)OCCSCCCCCB(O)O 62a_100009814007_200009817188 [0,1,0,0,0,0|3,0,0]=4 3731 B14R0.68 CC(=O)OCCSCCCCCB(O)O 62a_200009817188_100009814007 [0,1,0,0,0,0|3,0,0]=4 3732 B14R0.68 CC(=O)OCCSCCCCCC(=O)N 62a_100009814007_100009817443 [0,1,0,0,0,0|2,0,1]=4 3733 B14R0.68 CC(=O)OCCSCCCCCC(=O)N 62a_100009817443_100009814007 [0,1,0,0,0,0|2,0,1]=4 3734 B14R0.68 CC(=O)OCCSCCCCCC(C)C 62a_100000210682_100009814007 [0,1,0,0,0,0|1,0,0]=2 3735 B14R0.68 CC(=O)OCCSCCCCCC(C)C 62a_100009814007_100000210682 [0,1,0,0,0,0|1,0,0]=2 3736 B14R0.68 CC(=O)OCCSCCCCSC(=O)C 62a_100009814007_200010402107 [0,1,0,0,0,0|2,0,1]=4 3737 B14R0.68 CC(=O)OCCSCCCCSC(=O)C 62a_200010402107_100009814007 [0,1,0,0,0,0|2,0,1]=4 3738 B14R0.68 CC(=O)OCNCCCCCCC(C)C 34a_100000211014_100009813279 [0,1,0,0,0,0|1,0,0]=2 3739 B14R0.68 CC(=O)OCOCCCCCNC(C)C 34a_100011629493_100009813279 [0,1,0,0,0,0|2,0,0]=3 3740 B14R0.68 CC(=O)OCSCCCCCCB(O)O 62a_100000076356_100009817187 [0,1,0,0,0,0|3,0,0]=4 3741 B14R0.68 CC(=O)OCSCCCCCCB(O)O 62a_100009817187_100000076356 [0,1,0,0,0,0|3,0,0]=4 3742 B14R0.68 CC(=O)SCCCCCCNCC(C)C 270004a_100000704104_100000210432 [0,1,0,0,0,0|1,1,0]=3 3743 B14R0.68 CC(=O)SCCCCNCCCC(C)C 2230a_200000737386_200010402107 [0,1,0,0,0,0|1,1,0]=3 3744 B14R0.68 CC(=O)SCCCCNCCCC(C)C 34a_200000737386_200010402107 [0,1,0,0,0,0|1,1,0]=3 3745 B14R0.68 CC(=O)SCCCCNCCCS(=O)C 2230a_200000753449_200010402107 [0,1,0,0,0,0|2,1,0]=4 3746 B14R0.68 CC(=O)SCCCCNCCOC(C)C 2230a_100000701111_200010402107 [0,1,0,0,0,0|2,1,0]=4 3747 B14R0.68 CC(=O)SCCCCNCCOC(C)C 34a_100000701111_200010402107 [0,1,0,0,0,0|2,1,0]=4 3748 B14R0.68 CC(=O)SCCCCNCCSC(C)C 2230a_100000731138_200010402107 [0,1,0,0,0,0|2,1,0]=4 3749 B14R0.68 CC(=O)SCCCCNCCSC(C)C 34a_100000731138_200010402107 [0,1,0,0,0,0|2,1,0]=4 3750 B14R0.68 CC(=O)SCCCCOCCCC(C)C 34a_100000210774_200010402107 [0,1,0,0,0,0|1,1,0]=3 3751 B14R0.68 CC(=O)SCCCCOCCCC(C)C 7a_100000210774_200010402107 [0,1,0,0,0,0|1,1,0]=3 3752 B14R0.68 CC(=O)SCCCCOCCNC(C)C 34a_100000224655_200010402107 [0,1,0,0,0,0|2,1,0]=4 3753 B14R0.68 CC(=O)SCCCCOCCOC(C)C 34a_100000211219_200010402107 [0,1,0,0,0,0|2,1,0]=4 3754 B14R0.68 CC(=O)SCCCCOCCOC(C)C 7a_100000211219_200010402107 [0,1,0,0,0,0|2,1,0]=4 3755 B14R0.68 CC(=O)SCCCCOCCSC(C)C 34a_200011212901_200010402107 [0,1,0,0,0,0|2,1,0]=4 3756 B14R0.68 CC(=O)SCCCCOCCSC(C)C 7a_200011212901_200010402107 [0,1,0,0,0,0|2,1,0]=4 3757 B14R0.68 CC(=O)SCCCCSCCCC(C)C 62a_100011214892_200010402107 [0,1,0,0,0,0|1,1,0]=3 3758 B14R0.68 CC(=O)SCCCCSCCCC(C)C 62a_200010402107_100011214892 [0,1,0,0,0,0|1,1,0]=3 3759 B14R0.68 CC(=O)SCCCCSCCCC(C)O 62a_200000718107_200010402107 [0,1,0,0,0,0|1,1,0]=3 3760 B14R0.68 CC(=O)SCCCCSCCCC(C)O 62a_200010402107_200000718107 [0,1,0,0,0,0|1,1,0]=3 3761 B14R0.68 CC(=O)SCCCCSCCCN(C)C 62a_200010402107_100000757444 [0,1,0,0,0,0|2,1,0]=4 3762 B14R0.68 CC(=O)SCCCCSCCOC(C)C 62a_100000211751_200010402107 [0,1,0,0,0,0|2,1,0]=4 3763 B14R0.68 CC(=O)SCCCCSCCOC(C)C 62a_200010402107_100000211751 [0,1,0,0,0,0|2,1,0]=4 3764 B14R0.68 CC(=O)SCCCCSCCSC(C)C 62a_100000730970_200010402107 [0,1,0,0,0,0|2,1,0]=4 3765 B14R0.68 CC(=O)SCCCCSCCSC(C)C 62a_200010402107_100000730970 [0,1,0,0,0,0|2,1,0]=4 3766 B14R0.68 CC(=O)SCCCNCCCOC(C)C 2230a_100000737246_100000038929 [0,1,0,0,0,0|2,1,0]=4 3767 B14R0.68 CC(=O)SCCCNCCCOC(C)C 34a_100000737246_100000038929 [0,1,0,0,0,0|2,1,0]=4 3768 B14R0.68 CC(=O)SCCCOCCCCC(C)C 34a_100011214890_100000038929 [0,1,0,0,0,0|1,1,0]=3 3769 B14R0.68 CC(=O)SCCCOCCCCC(C)C 7a_100011214890_100000038929 [0,1,0,0,0,0|1,1,0]=3 3770 B14R0.68 CC(=O)SCCCOCCCNC(C)C 34a_100000182298_100000038929 [0,1,0,0,0,0|2,1,0]=4 3771 B14R0.68 CC(=O)SCCCOCCNCC(C)C 34a_100015185251_100000038929 [0,1,0,0,0,0|2,1,0]=4 3772 B14R0.68 CC(=O)SCCCOCCOCC(C)C 34a_100000703358_100000038929 [0,1,0,0,0,0|2,1,0]=4 3773 B14R0.68 CC(=O)SCCCOCCOCC(C)C 7a_100000703358_100000038929 [0,1,0,0,0,0|2,1,0]=4 3774 B14R0.68 CC(=O)SCCCOCCSCC(C)C 34a_200000230437_100000038929 [0,1,0,0,0,0|2,1,0]=4 3775 B14R0.68 CC(=O)SCCCOCCSCC(C)C 7a_200000230437_100000038929 [0,1,0,0,0,0|2,1,0]=4 3776 B14R0.68 CC(=O)SCCCSCCCCC(C)C 62a_100000038929_100011216152 [0,1,0,0,0,0|1,1,0]=3 3777 B14R0.68 CC(=O)SCCCSCCCCC(C)C 62a_100011216152_100000038929 [0,1,0,0,0,0|1,1,0]=3 3778 B14R0.68 CC(=O)SCCCSCCCCN(C)C 62a_100000038929_100000690147 [0,1,0,0,0,0|2,1,0]=4 3779 B14R0.68 CC(=S)OCCCNCCCOC(C)C 2230a_100000737246_200135323944 [0,1,0,0,0,0|2,1,0]=4 3780 B14R0.68 CC(=S)OCCCNCCCOC(C)C 34a_100000737246_200135323944 [0,1,0,0,0,0|2,1,0]=4 3781 B14R0.68 CC(=S)OCCCOCCCCC(C)C 34a_100011214890_200135323944 [0,1,0,0,0,0|1,1,0]=3 3782 B14R0.68 CC(=S)OCCCOCCCCC(C)C 7a_100011214890_200135323944 [0,1,0,0,0,0|1,1,0]=3 3783 B14R0.68 CC(=S)OCCCOCCCNC(C)C 34a_100000182298_200135323944 [0,1,0,0,0,0|2,1,0]=4 3784 B14R0.68 CC(=S)OCCCOCCNCC(C)C 34a_100015185251_200135323944 [0,1,0,0,0,0|2,1,0]=4 3785 B14R0.68 CC(=S)OCCCOCCOCC(C)C 34a_100000703358_200135323944 [0,1,0,0,0,0|2,1,0]=4 3786 B14R0.68 CC(=S)OCCCOCCOCC(C)C 7a_100000703358_200135323944 [0,1,0,0,0,0|2,1,0]=4 3787 B14R0.68 CC(=S)OCCCOCCSCC(C)C 34a_200000230437_200135323944 [0,1,0,0,0,0|2,1,0]=4 3788 B14R0.68 CC(=S)OCCCOCCSCC(C)C 7a_200000230437_200135323944 [0,1,0,0,0,0|2,1,0]=4 3789 B14R0.68 CC(=S)OCCCSCCCCC(C)C 62a_100011216152_200135323944 [0,1,0,0,0,0|1,1,0]=3 3790 B14R0.68 CC(=S)OCCCSCCCCC(C)C 62a_200135323944_100011216152 [0,1,0,0,0,0|1,1,0]=3 3791 B14R0.68 CC(=S)OCCCSCCCCN(C)C 62a_200135323944_100000690147 [0,1,0,0,0,0|2,1,0]=4 3792 B14R0.68 CC(C)CCCCCCCOCC(=O)N 34a_200000210741_100000187820 [0,1,0,0,0,0|3,0,0]=4 3793 B14R0.68 CC(C)CCCCCCCOCC(=O)N 7a_200000210741_100000187820 [0,1,0,0,0,0|3,0,0]=4 3794 B14R0.68 CC(C)CCCCCCCOCC(=O)[O-] 34a_200000210741_100020667443 [0,1,0,0,0,0|3,0,0]=4 3795 B14R0.68 CC(C)CCCCCCNCCC(=O)N 2230a_100000211014_100000744528 [0,1,0,0,0,0|3,0,0]=4 3796 B14R0.68 CC(C)CCCCCCNCCC(=O)N 34a_100000211014_100000731001 [0,1,0,0,0,0|3,0,0]=4 3797 B14R0.68 CC(C)CCCCCCNCOC(C)C 2230a_100000211014_100000709892 [0,1,0,0,0,0|2,0,1]=4 3798 B14R0.68 CC(C)CCCCCCNCOC(C)C 34a_100000211014_100000709892 [0,1,0,0,0,0|2,0,1]=4 3799 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100000739312_100000210682 [0,1,0,0,0,0|3,0,0]=4 3800 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100011290863_100102525003 [0,1,0,0,0,0|3,0,0]=4 3801 B14R0.68 CC(C)CCCCCNCCCS(=O)C 2230a_200000753449_100000210682 [0,1,0,0,0,0|3,0,0]=4 3802 B14R0.68 CC(C)CCCCCNCCNC(=O)N 2230a_100011290863_200000034859 [0,1,0,0,0,0|3,0,0]=4 3803 B14R0.68 CC(C)CCCCCNCCNC(=O)N 34a_100020590234_100000210682 [0,1,0,0,0,0|3,0,0]=4 3804 B14R0.68 CC(C)CCCCCNCCOC(=O)N 34a_100011290863_200011214921 [0,1,0,0,0,0|2,0,0]=3 3805 B14R0.68 CC(C)CCCCCNCCOC(C)C 2230a_100000701111_100000210682 [0,1,0,0,0,0|2,0,1]=4 3806 B14R0.68 CC(C)CCCCCNCCOC(C)C 2230a_100011290863_100000211751 [0,1,0,0,0,0|2,0,1]=4 3807 B14R0.68 CC(C)CCCCCNCCOC(C)C 34a_100000701111_100000210682 [0,1,0,0,0,0|2,0,1]=4 3808 B14R0.68 CC(C)CCCCCNCCOC(C)C 34a_100011290863_100000211751 [0,1,0,0,0,0|2,0,1]=4 3809 B14R0.68 CC(C)CCCCCOCCCC(=O)N 34a_100011995859_100102525003 [0,1,0,0,0,0|3,0,0]=4 3810 B14R0.68 CC(C)CCCCCOCCCC(=O)N 7a_100011995859_100102525003 [0,1,0,0,0,0|3,0,0]=4 3811 B14R0.68 CC(C)CCCCCOCCNC(=O)N 34a_100000181757_100000210682 [0,1,0,0,0,0|3,0,0]=4 3812 B14R0.68 CC(C)CCCCCOCCNC(=O)N 7a_100011995859_200000034859 [0,1,0,0,0,0|3,0,0]=4 3813 B14R0.68 CC(C)CCCCCOCCOC(=O)N 34a_100011995859_200011214921 [0,1,0,0,0,0|2,0,0]=3 3814 B14R0.68 CC(C)CCCCCOCCOC(=O)N 7a_100000766696_100000210682 [0,1,0,0,0,0|2,0,0]=3 3815 B14R0.68 CC(C)CCCCCOCCOC(=O)N 7a_100011995859_200011214921 [0,1,0,0,0,0|2,0,0]=3 3816 B14R0.68 CC(C)CCCCCOCCOC(C)C 34a_100000211219_100000210682 [0,1,0,0,0,0|2,0,1]=4 3817 B14R0.68 CC(C)CCCCCOCCOC(C)C 34a_100011995859_100000211751 [0,1,0,0,0,0|2,0,1]=4 3818 B14R0.68 CC(C)CCCCCOCCOC(C)C 7a_100000211219_100000210682 [0,1,0,0,0,0|2,0,1]=4 3819 B14R0.68 CC(C)CCCCCOCCOC(C)C 7a_100011995859_100000211751 [0,1,0,0,0,0|2,0,1]=4 3820 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100000210682_100102525003 [0,1,0,0,0,0|3,0,0]=4 3821 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100102525003_100000210682 [0,1,0,0,0,0|3,0,0]=4 3822 B14R0.68 CC(C)CCCCCSCCNC(=O)N 62a_100000210682_200000034859 [0,1,0,0,0,0|3,0,0]=4 3823 B14R0.68 CC(C)CCCCCSCCNC(=O)N 62a_200000034859_100000210682 [0,1,0,0,0,0|3,0,0]=4 3824 B14R0.68 CC(C)CCCCCSCCOC(=O)N 62a_100000210682_200011214921 [0,1,0,0,0,0|2,0,0]=3 3825 B14R0.68 CC(C)CCCCCSCCOC(=O)N 62a_200011214921_100000210682 [0,1,0,0,0,0|2,0,0]=3 3826 B14R0.68 CC(C)CCCCCSCCOC(C)C 62a_100000210682_100000211751 [0,1,0,0,0,0|2,0,1]=4 3827 B14R0.68 CC(C)CCCCCSCCOC(C)C 62a_100000211751_100000210682 [0,1,0,0,0,0|2,0,1]=4 3828 B14R0.68 CC(C)CCCCNCCCCC(=O)N 34a_100000696515_100011216152 [0,1,0,0,0,0|3,0,0]=4 3829 B14R0.68 CC(C)CCCCNCCCOC(C)C 2230a_100000737246_100011216152 [0,1,0,0,0,0|2,0,1]=4 3830 B14R0.68 CC(C)CCCCNCCCOC(C)C 34a_100000737246_100011216152 [0,1,0,0,0,0|2,0,1]=4 3831 B14R0.68 CC(C)CCCCOCCCCC(=O)N 34a_100012022536_100011216152 [0,1,0,0,0,0|3,0,0]=4 3832 B14R0.68 CC(C)CCCCOCCCCC(=O)N 7a_100012022536_100011216152 [0,1,0,0,0,0|3,0,0]=4 3833 B14R0.68 CC(C)CCCNCCCCCC(=O)N 2230a_200000737386_100009817443 [0,1,0,0,0,0|3,0,0]=4 3834 B14R0.68 CC(C)CCCNCCCCCC(=O)N 34a_200000737386_100009817443 [0,1,0,0,0,0|3,0,0]=4 3835 B14R0.68 CC(C)CCCNCCCCO[N+](=O)[O-] 34a_200000737386_100015694321 [0,1,0,0,0,0|3,0,0]=4 3836 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000123541_100011214892 [0,1,0,0,0,0|3,0,0]=4 3837 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000210774_100009817443 [0,1,0,0,0,0|3,0,0]=4 3838 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000123541_100011214892 [0,1,0,0,0,0|3,0,0]=4 3839 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000210774_100009817443 [0,1,0,0,0,0|3,0,0]=4 3840 B14R0.68 CC(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011214892 [0,1,0,0,0,0|3,0,0]=4 3841 B14R0.68 CC(C)CCCOCCCCO[N+](=O)[O-] 34a_100000210774_100015694321 [0,1,0,0,0,0|3,0,0]=4 3842 B14R0.68 CC(C)CCCOCCCCO[N+](=O)[O-] 7a_100000210774_100015694321 [0,1,0,0,0,0|3,0,0]=4 3843 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100009817443_100011214892 [0,1,0,0,0,0|3,0,0]=4 3844 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100011214892_100009817443 [0,1,0,0,0,0|3,0,0]=4 3845 B14R0.68 CC(C)CCCSCCCCO[N+](=O)[O-] 62a_100011214892_100015694321 [0,1,0,0,0,0|3,0,0]=4 3846 B14R0.68 CC(C)COCCCNCCOC(=O)N 34a_100000205972_200011214921 [0,1,0,0,0,0|3,0,0]=4 3847 B14R0.68 CC(C)NCCCCOCCOC(=O)N 34a_100011521146_200011214921 [0,1,0,0,0,0|3,0,0]=4 3848 B14R0.68 CC(O)CCCOCCCCCC(=O)N 34a_100000123541_200000718107 [0,1,0,0,0,0|3,0,0]=4 3849 B14R0.68 CC(O)CCCOCCCCCC(=O)N 7a_100000123541_200000718107 [0,1,0,0,0,0|3,0,0]=4 3850 B14R0.68 CC(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_200000718107 [0,1,0,0,0,0|3,0,0]=4 3851 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_100009817443_200000718107 [0,1,0,0,0,0|3,0,0]=4 3852 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_200000718107_100009817443 [0,1,0,0,0,0|3,0,0]=4 3853 B14R0.68 CC(O)CCCSCCCCO[N+](=O)[O-] 62a_200000718107_100015694321 [0,1,0,0,0,0|3,0,0]=4 3854 B14R0.88 CC(C)(C)OCCCCCCCCCBr 34a_100009813782_100000210625 [0,1,0,0,0,0|2,0,1]=4 3855 B14R0.88 CC(C)(C)OCCCCCCCCCCl 34a_100009868337_100000210625 [0,1,0,0,0,0|2,0,1]=4 3856 B14R0.88 CC(C)(C)OCCCCCCCCCN 34a_100000078944_100000210625 [0,1,0,0,0,0|2,0,1]=4 3857 B14R0.88 CC(C)(C)OCCCCCCCCCO 34a_100015890283_100009813782 [0,1,0,0,0,0|2,0,1]=4 3858 B14R0.88 CC(C)(C)OCCCCCCCCCO 7a_100015890283_100009813782 [0,1,0,0,0,0|2,0,1]=4 3859 B14R0.88 CCCCCCCCCCNC(C)(C)C 2230a_100000715429_100000210320 [0,1,0,0,0,0|2,0,1]=4 3860 B14R0.88 CCCCCCCCCCNC(C)(C)C 34a_100000684558_100000210625 [0,1,0,0,0,0|2,0,1]=4 3861 B14R0.88 CCCCCCCCCCNS(=O)(=O)C 40a_100000684558_100000738038 [0,1,0,0,0,0|2,0,0]=3 3862 B14R0.88 CCCCCCCCCCOC(C)(C)C 34a_100000210711_100000210625 [0,1,0,0,0,0|1,0,1]=3 3863 B14R0.88 CCCCCCCCCCOC(C)(C)C 34a_100015890283_100000210320 [0,1,0,0,0,0|1,0,1]=3 3864 B14R0.88 CCCCCCCCCCOC(C)(C)C 7a_100015890283_100000210320 [0,1,0,0,0,0|1,0,1]=3 3865 B14R0.88 CCCCCCCCCCOC(F)(F)F 34a_100000210711_200103152311 [0,1,0,0,0,0|2,0,1]=4 3866 B14R0.88 CCCCCCCCCCOC(F)(F)F 7a_100000210711_200000243211 [0,1,0,0,0,0|2,0,1]=4 3867 B14R0.88 CCCCCCCCCCSC(C)(C)C 62a_100000211941_100000210320 [0,1,0,0,0,0|1,1,1]=4 3868 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 2230a_100000229939_100000731031 [0,1,0,0,0,0|3,0,0]=4 3869 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210759 [0,1,0,0,0,0|3,0,0]=4 3870 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 34a_100000229939_100000731031 [0,1,0,0,0,0|3,0,0]=4 3871 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210759 [0,1,0,0,0,0|3,0,0]=4 3872 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 34a_100000210232_100000731031 [0,1,0,0,0,0|3,0,0]=4 3873 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210759 [0,1,0,0,0,0|3,0,0]=4 3874 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 7a_100000210232_100000230027 [0,1,0,0,0,0|3,0,0]=4 3875 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210759 [0,1,0,0,0,0|3,0,0]=4 3876 B14R0.88 CCCCCCCCSCCS(=O)(=O)C 62a_100000210759_100000230027 [0,1,0,0,0,0|3,0,0]=4 3877 B14R0.88 CCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210317 [0,1,0,0,0,0|3,0,0]=4 3878 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 2230a_100000229938_100000754308 [0,1,0,0,0,0|3,0,0]=4 3879 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210681 [0,1,0,0,0,0|3,0,0]=4 3880 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210614 [0,1,0,0,0,0|3,0,0]=4 3881 B14R0.88 CCCCCCCNCCNS(=O)(=O)C 2230a_100000229938_100000754112 [0,1,0,0,0,0|3,0,0]=4 3882 B14R0.88 CCCCCCCNCCNS(=O)(=O)C 34a_100000752411_100000210614 [0,1,0,0,0,0|3,0,0]=4 3883 B14R0.88 CCCCCCCNCCOC(C)(C)C 2230a_100000747557_100000210681 [0,1,0,0,0,0|2,0,1]=4 3884 B14R0.88 CCCCCCCNCCOS(=O)(=O)C 2230a_100000229938_200000036756 [0,1,0,0,0,0|2,0,0]=3 3885 B14R0.88 CCCCCCCNCCO[Si](C)(C)C 2230a_100000229938_200000032530 [0,1,0,0,0,0|2,1,0]=4 3886 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 34a_100000210272_100000754308 [0,1,0,0,0,0|3,0,0]=4 3887 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210614 [0,1,0,0,0,0|3,0,0]=4 3888 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 7a_100000210272_100000754308 [0,1,0,0,0,0|3,0,0]=4 3889 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210614 [0,1,0,0,0,0|3,0,0]=4 3890 B14R0.88 CCCCCCCOCCNS(=O)(=O)C 7a_100000210272_100000754112 [0,1,0,0,0,0|3,0,0]=4 3891 B14R0.88 CCCCCCCOCCOC(C)(C)C 34a_100000693234_100000210614 [0,1,0,0,0,0|2,0,1]=4 3892 B14R0.88 CCCCCCCOCCOC(C)(C)C 7a_100000693234_100000210614 [0,1,0,0,0,0|2,0,1]=4 3893 B14R0.88 CCCCCCCOCCOS(=O)(=O)C 34a_100000210272_200000036756 [0,1,0,0,0,0|2,0,0]=3 3894 B14R0.88 CCCCCCCOCCOS(=O)(=O)C 7a_100000210272_200000036756 [0,1,0,0,0,0|2,0,0]=3 3895 B14R0.88 CCCCCCCOCCO[Si](C)(C)C 34a_100000210272_200000032530 [0,1,0,0,0,0|2,1,0]=4 3896 B14R0.88 CCCCCCCOCCO[Si](C)(C)C 7a_100000210272_200000032530 [0,1,0,0,0,0|2,1,0]=4 3897 B14R0.88 CCCCCCCSCCCS(=O)(=O)C 62a_100000210614_100000754308 [0,1,0,0,0,0|3,0,0]=4 3898 B14R0.88 CCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210316 [0,1,0,0,0,0|3,0,0]=4 3899 B14R0.88 CCCCCCCSCCNS(=O)(=O)C 62a_100000210614_100000754112 [0,1,0,0,0,0|3,0,0]=4 3900 B14R0.88 CCCCCCCSCCNS(=O)(=O)C 62a_100000754112_100000210316 [0,1,0,0,0,0|3,0,0]=4 3901 B14R0.88 CCCCCCCSCCOS(=O)(=O)C 62a_100000210614_200000036756 [0,1,0,0,0,0|2,0,0]=3 3902 B14R0.88 CCCCCCCSCCOS(=O)(=O)C 62a_200000036756_100000210316 [0,1,0,0,0,0|2,0,0]=3 3903 B14R0.88 CCCCCCCSCCO[Si](C)(C)C 62a_100000210614_200000032530 [0,1,0,0,0,0|2,1,0]=4 3904 B14R0.88 CCCCCCCSCCO[Si](C)(C)C 62a_200000032530_100000210316 [0,1,0,0,0,0|2,1,0]=4 3905 B14R0.88 CCCCCCNCCCNS(=O)(=O)C 34a_100000736790_100000210314 [0,1,0,0,0,0|3,0,0]=4 3906 B14R0.88 CCCCCCNCCCOC(C)(C)C 2230a_100011250582_100000210314 [0,1,0,0,0,0|2,0,1]=4 3907 B14R0.88 CCCCNCCOCCOS(=O)(=O)C 2230a_100000102301_100015571617 [0,1,0,0,0,0|3,0,0]=4 3908 B14R0.88 CCCCNCCOCCOS(=O)(=O)C 7a_106832991798_100015571617 [0,1,0,0,0,0|3,0,0]=4 3909 B14R0.88 CCCCOCCOCCOS(=O)(=O)C 34a_100000210227_100015571617 [0,1,0,0,0,0|3,0,0]=4 3910 B14R0.88 CCCCOCCOCCOS(=O)(=O)C 34a_100000210238_200000036756 [0,1,0,0,0,0|3,0,0]=4 3911 B14R0.88 CCCCOCCOCCOS(=O)(=O)C 7a_100000210227_100015571617 [0,1,0,0,0,0|3,0,0]=4 3912 B14R0.88 CCCCOCCOCCOS(=O)(=O)C 7a_100000210238_200000036756 [0,1,0,0,0,0|3,0,0]=4 3913 B14R0.88 CCCCOCCSCCOS(=O)(=O)C 62a_100000743108_200000036756 [0,1,0,0,0,0|3,0,0]=4 3914 B14R0.88 CCCCOCCSCCOS(=O)(=O)C 62a_200000036756_100000743108 [0,1,0,0,0,0|3,0,0]=4 3915 B14R0.88 CCCCSCCNCCOS(=O)(=O)C 2230a_100025743550_200000036756 [0,1,0,0,0,0|3,0,0]=4 3916 B14R0.88 CCCCSCCOCCOS(=O)(=O)C 34a_200000230436_200000036756 [0,1,0,0,0,0|3,0,0]=4 3917 B14R0.88 CCCCSCCOCCOS(=O)(=O)C 62a_100000210211_100015571617 [0,1,0,0,0,0|3,0,0]=4 3918 B14R0.88 CCCCSCCOCCOS(=O)(=O)C 62a_100015571617_100000210210 [0,1,0,0,0,0|3,0,0]=4 3919 B14R0.88 CCCCSCCOCCOS(=O)(=O)C 7a_200000230436_200000036756 [0,1,0,0,0,0|3,0,0]=4 3920 B14R0.88 CCCOCCCNCCOS(=O)(=O)C 2230a_100011217757_200000036756 [0,1,0,0,0,0|3,0,0]=4 3921 B14R0.88 CCCOCCCNCCOS(=O)(=O)C 34a_100011217757_200000036756 [0,1,0,0,0,0|3,0,0]=4 3922 B14R0.88 CNCCCCCOCCOS(=O)(=O)C 34a_100000722520_200000036756 [0,1,0,0,0,0|3,0,0]=4 3923 B14R0.88 COCCCCCNCCOS(=O)(=O)C 2230a_100000747528_200000036756 [0,1,0,0,0,0|3,0,0]=4 3924 B14R0.88 COCCCCCNCCOS(=O)(=O)C 34a_100000747528_200000036756 [0,1,0,0,0,0|3,0,0]=4 3925 B14R0.88 CS(=O)(=O)NCCCCCCCCCO 40a_100000078944_100000738038 [0,1,0,0,0,0|3,0,0]=4 3926 B14R0.88 CS(=O)(=O)OCCNCCCCCCO 2230a_100000686447_200000036756 [0,1,0,0,0,0|3,0,0]=4 3927 B14R0.88 CS(=O)(=O)OCCNCCCCCCO 34a_100000686447_200000036756 [0,1,0,0,0,0|3,0,0]=4 3928 B14R0.88 CS(=O)(=O)OCCOCCCCCCBr 34a_100011215345_200000036756 [0,1,0,0,0,0|3,0,0]=4 3929 B14R0.88 CS(=O)(=O)OCCOCCCCCCBr 7a_100011215345_200000036756 [0,1,0,0,0,0|3,0,0]=4 3930 B14R0.88 CS(=O)(=O)OCCOCCCCCCCl 34a_100000766143_200000036756 [0,1,0,0,0,0|3,0,0]=4 3931 B14R0.88 CS(=O)(=O)OCCOCCCCCCCl 7a_100000766143_200000036756 [0,1,0,0,0,0|3,0,0]=4 3932 B14R0.88 CS(=O)(=O)OCCOCCCCCCF 34a_100000732779_200000036756 [0,1,0,0,0,0|3,0,0]=4 3933 B14R0.88 CS(=O)(=O)OCCOCCCCCCF 7a_100000732779_200000036756 [0,1,0,0,0,0|3,0,0]=4 3934 B14R0.88 CS(=O)(=O)OCCOCCCCCCN 34a_100000686447_200000036756 [0,1,0,0,0,0|3,0,0]=4 3935 B14R0.88 CS(=O)(=O)OCCSCCCCCCF 62a_100015922095_200000036756 [0,1,0,0,0,0|3,0,0]=4 3936 B14R0.88 CS(=O)(=O)OCCSCCCCCCF 62a_200000036756_100015922095 [0,1,0,0,0,0|3,0,0]=4 3937 B14R0.88 CS(=O)(=O)OCCSCCCCCCO 62a_100000766143_200000036756 [0,1,0,0,0,0|3,0,0]=4 3938 B14R0.88 CS(=O)(=O)OCCSCCCCCCO 62a_200000036756_100000766143 [0,1,0,0,0,0|3,0,0]=4 3939 B14R0.153 C#CCCC(=O)CCCCCOC(=O)C 1458a_100000692101_100000033007 [0,1,0,0,0,0|0,0,3]=4 3940 B14R0.153 C=C(C)COCCCCC(C)CCCC 34a_200011021034_100000748629 [0,1,0,0,0,0|3,0,0]=4 3941 B14R0.153 C=C(C)COCCCCC(C)CCCC 7a_200011021034_100000748629 [0,1,0,0,0,0|3,0,0]=4 3942 B14R0.153 C=CCCC(=O)CCCCCOC(=O)C 1458a_100000749702_100000033007 [0,1,0,0,0,0|0,0,3]=4 3943 B14R0.153 C=CCCC(C)OCCCCOC(=O)C 34a_100000765329_100000033659 [0,1,0,0,0,0|1,0,2]=4 3944 B14R0.153 C=CCCC(C)OCCCCOC(=O)C 7a_100000765329_100000033659 [0,1,0,0,0,0|1,0,2]=4 3945 B14R0.153 C=CCCN(C)CCCCCOC(=O)C 2230a_100020639649_100009813381 [0,1,0,0,0,0|1,0,2]=4 3946 B14R0.153 C=CCCN(C)CCCCCOC(=O)C 269982a_100020639649_100000033007 [0,1,0,0,0,0|1,0,2]=4 3947 B14R0.153 CC(=O)CCCCNC[C@H](C)CCCO 34a_100160569302_100009817362 [0,1,0,0,0,0|3,0,0]=4 3948 B14R0.153 CC(=O)NCCCCCC(=O)CCCF 1458a_100000183861_100011934791 [0,1,0,0,0,0|2,0,1]=4 3949 B14R0.153 CC(=O)NCCCCCC(=O)CCCO 1458a_100000183861_100011215043 [0,1,0,0,0,0|2,0,1]=4 3950 B14R0.153 CC(=O)OCCCCCC(=O)CCC#N 1458a_100011934036_100000033007 [0,1,0,0,0,0|1,0,2]=4 3951 B14R0.153 CC(=O)OCCCCCN(C)CCC#N 2230a_100000184479_100009813381 [0,1,0,0,0,0|2,0,1]=4 3952 B14R0.153 CC(=O)OCCCCCN(C)CCCO 2230a_100000213112_100009813381 [0,1,0,0,0,0|2,0,0]=3 3953 B14R0.153 CC(=O)OCCCCCN(C)CCCO 269982a_100000213112_100000033007 [0,1,0,0,0,0|2,0,0]=3 3954 B14R0.153 CC(=O)OCCCCOC(C)CCCCl 34a_200000718107_100000033659 [0,1,0,0,0,0|2,0,0]=3 3955 B14R0.153 CC(=O)OCCCCOC(C)CCCCl 7a_200000718107_100000033659 [0,1,0,0,0,0|2,0,0]=3 3956 B14R0.153 CC(=O)OCCCNC[C@H](C)CCCO 34a_100160569302_100000042594 [0,1,0,0,0,0|2,0,0]=3 3957 B14R0.153 CC(=O)OCCOCCN(C)CCCO 2230a_100000213112_200000083610 [0,1,0,0,0,0|3,0,0]=4 3958 B14R0.153 CC(=O)OCCOCCN(C)CCCO 269982a_100000213112_200000083610 [0,1,0,0,0,0|3,0,0]=4 3959 B14R0.153 CC(=O)OCCOCOC(C)CCCCl 34a_200000718107_100000076355 [0,1,0,0,0,0|3,0,0]=4 3960 B14R0.153 CC(=O)SCCCCOC(C)CCCCl 34a_200000718107_200010402107 [0,1,0,0,0,0|2,1,0]=4 3961 B14R0.153 CC(=O)SCCCCOC(C)CCCCl 7a_200000718107_200010402107 [0,1,0,0,0,0|2,1,0]=4 3962 B14R0.153 CC(=O)SCCCNC[C@H](C)CCCO 2230a_100160569302_100000038929 [0,1,0,0,0,0|2,1,0]=4 3963 B14R0.153 CC(=O)SCCCNC[C@H](C)CCCO 34a_100160569302_100000038929 [0,1,0,0,0,0|2,1,0]=4 3964 B14R0.153 CC(=S)OCCCNC[C@H](C)CCCO 2230a_100160569302_200135323944 [0,1,0,0,0,0|2,1,0]=4 3965 B14R0.153 CC(=S)OCCCNC[C@H](C)CCCO 34a_100160569302_200135323944 [0,1,0,0,0,0|2,1,0]=4 3966 B14R0.153 CC=CCC(=O)CCCCCOC(=O)C 1458a_100121576822_100000033007 [0,1,0,0,0,0|0,0,3]=4 3967 B14R0.153 CCC#CC(=O)CCCCCOC(=O)C 1458a_100011827653_100000033007 [0,1,0,0,0,0|0,0,3]=4 3968 B14R0.153 CCC#CC(C)OCCCCOC(=O)C 34a_100000033903_100000033659 [0,1,0,0,0,0|1,0,2]=4 3969 B14R0.153 CCC#CC(C)OCCCCOC(=O)C 7a_100000033903_100000033659 [0,1,0,0,0,0|1,0,2]=4 3970 B14R0.153 CCC=CC(=O)CCCCCOC(=O)C 1458a_100000212282_100000033007 [0,1,0,0,0,0|0,0,3]=4 3971 B14R0.153 CCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210211 [0,1,0,0,0,0|1,0,1]=3 3972 B14R0.153 CCCCC(=O)CCCCCOC(=O)C 1458a_100000210183_100000033007 [0,1,0,0,0,0|0,0,1]=2 3973 B14R0.153 CCCCC(=O)CCOCCOC(=O)C 1458a_100000210183_200000083610 [0,1,0,0,0,0|1,0,1]=3 3974 B14R0.153 CCCCC(=O)NCCCCNC(=O)C 11a_200011368371_100000210183 [0,1,0,0,0,0|2,0,1]=4 3975 B14R0.153 CCCCC(=O)NCCCCNC(=O)C 1626a_200011368371_100000210183 [0,1,0,0,0,0|2,0,1]=4 3976 B14R0.153 CCCCC(=O)NCCCCNC(=O)C 240690a_200011368371_100000210183 [0,1,0,0,0,0|2,0,1]=4 3977 B14R0.153 CCCCC(=O)NCCCCNC(=O)C 527a_200011368371_100000210183 [0,1,0,0,0,0|2,0,1]=4 3978 B14R0.153 CCCCC(C)CCCCOCC(=O)N 34a_200011021034_100000187820 [0,1,0,0,0,0|3,0,0]=4 3979 B14R0.153 CCCCC(C)CCCCOCC(=O)N 7a_200011021034_100000187820 [0,1,0,0,0,0|3,0,0]=4 3980 B14R0.153 CCCCC(C)CCCCOCC(=O)[O-] 34a_200011021034_100020667443 [0,1,0,0,0,0|3,0,0]=4 3981 B14R0.153 CCCCC(C)COCCCCC(=O)C 34a_100011995851_100009817362 [0,1,0,0,0,0|2,0,0]=3 3982 B14R0.153 CCCCC(C)COCCCCC(=O)C 7a_100011995851_100000735457 [0,1,0,0,0,0|2,0,0]=3 3983 B14R0.153 CCCCC(C)COCCCOC(=O)C 34a_100011995851_100000042594 [0,1,0,0,0,0|1,0,0]=2 3984 B14R0.153 CCCCC(C)COCCCOC(=O)C 7a_100011995851_100000042594 [0,1,0,0,0,0|1,0,0]=2 3985 B14R0.153 CCCCC(C)COCCCOC(=S)C 34a_100011995851_200135323944 [0,1,0,0,0,0|1,1,0]=3 3986 B14R0.153 CCCCC(C)COCCCOC(=S)C 7a_100011995851_200135323944 [0,1,0,0,0,0|1,1,0]=3 3987 B14R0.153 CCCCC(C)COCCCSC(=O)C 34a_100011995851_100000038929 [0,1,0,0,0,0|1,1,0]=3 3988 B14R0.153 CCCCC(C)COCCCSC(=O)C 7a_100011995851_100000038929 [0,1,0,0,0,0|1,1,0]=3 3989 B14R0.153 CCCCC(C)NCCCCCC(=O)N 2230a_100000126638_100009817443 [0,1,0,0,0,0|3,0,0]=4 3990 B14R0.153 CCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011215066 [0,1,0,0,0,0|2,0,0]=3 3991 B14R0.153 CCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000210087 [0,1,0,0,0,0|2,0,0]=3 3992 B14R0.153 CCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011215066 [0,1,0,0,0,0|2,0,0]=3 3993 B14R0.153 CCCCC(C)NCCCCSC(=O)C 2230a_100000126638_200010402107 [0,1,0,0,0,0|1,1,0]=3 3994 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011215066 [0,1,0,0,0,0|3,0,0]=4 3995 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000687866_100009817443 [0,1,0,0,0,0|3,0,0]=4 3996 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011215066 [0,1,0,0,0,0|3,0,0]=4 3997 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000687866_100009817443 [0,1,0,0,0,0|3,0,0]=4 3998 B14R0.153 CCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011215066 [0,1,0,0,0,0|3,0,0]=4 3999 B14R0.153 CCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011215066 [0,1,0,0,0,0|1,0,0]=2 4000 B14R0.153 CCCCC(C)OCCCCOC(=O)C 34a_100000687866_100000033659 [0,1,0,0,0,0|1,0,0]=2 4001 B14R0.153 CCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011215066 [0,1,0,0,0,0|1,0,0]=2 4002 B14R0.153 CCCCC(C)OCCCCOC(=O)C 7a_100000687866_100000033659 [0,1,0,0,0,0|1,0,0]=2 4003 B14R0.153 CCCCC(C)OCCCCO[N+](=O)[O-] 34a_100000687866_100015694321 [0,1,0,0,0,0|3,0,0]=4 4004 B14R0.153 CCCCC(C)OCCCCO[N+](=O)[O-] 7a_100000687866_100015694321 [0,1,0,0,0,0|3,0,0]=4 4005 B14R0.153 CCCCC(C)OCCCCSC(=O)C 34a_100000687866_200010402107 [0,1,0,0,0,0|1,1,0]=3 4006 B14R0.153 CCCCC(C)OCCCCSC(=O)C 7a_100000687866_200010402107 [0,1,0,0,0,0|1,1,0]=3 4007 B14R0.153 CCCCC(C)OCOCCOC(=O)C 34a_100000687866_100000076355 [0,1,0,0,0,0|2,0,0]=3 4008 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011215066 [0,1,0,0,0,0|3,0,0]=4 4009 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_200011215066_100009817443 [0,1,0,0,0,0|3,0,0]=4 4010 B14R0.153 CCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011215066 [0,1,0,0,0,0|1,0,0]=2 4011 B14R0.153 CCCCC(C)SCCCCOC(=O)C 62a_200011215066_100000033659 [0,1,0,0,0,0|1,0,0]=2 4012 B14R0.153 CCCCC(C)SCCCCO[N+](=O)[O-] 62a_200011215066_100015694321 [0,1,0,0,0,0|3,0,0]=4 4013 B14R0.153 CCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011215066 [0,1,0,0,0,0|1,1,0]=3 4014 B14R0.153 CCCCC(C)SCCCCSC(=O)C 62a_200011215066_200010402107 [0,1,0,0,0,0|1,1,0]=3 4015 B14R0.153 CCCCC(C)SCOCCOC(=O)C 62a_100000076355_200011215066 [0,1,0,0,0,0|2,0,0]=3 4016 B14R0.153 CCCCC(C)SCOCCOC(=O)C 62a_200011215066_100000076355 [0,1,0,0,0,0|2,0,0]=3 4017 B14R0.153 CCCCN(C)CCCCCOC(=O)C 2230a_100000207549_100009813381 [0,1,0,0,0,0|1,0,0]=2 4018 B14R0.153 CCCCN(C)CCCCCOC(=O)C 269982a_100000207549_100000033007 [0,1,0,0,0,0|1,0,0]=2 4019 B14R0.153 CCCCN(C)CCOCCOC(=O)C 2230a_100000207549_200000083610 [0,1,0,0,0,0|2,0,0]=3 4020 B14R0.153 CCCCN(C)CCOCCOC(=O)C 269982a_100000207549_200000083610 [0,1,0,0,0,0|2,0,0]=3 4021 B14R0.153 CCCC[C@H](N)COCCCCC(=O)C 34a_100011934283_100009817362 [0,1,0,0,0,0|2,0,0]=3 4022 B14R0.153 CCCC[C@H](N)COCCCOC(=O)C 34a_100011934283_100000042594 [0,1,0,0,0,0|1,0,0]=2 4023 B14R0.153 CCCC[C@H](N)COCCCOC(=S)C 34a_100011934283_200135323944 [0,1,0,0,0,0|1,1,0]=3 4024 B14R0.153 CCCC[C@H](N)COCCCSC(=O)C 34a_100011934283_100000038929 [0,1,0,0,0,0|1,1,0]=3 4025 B14R0.153 CCCNC(=O)CCCCCNC(=O)C 11a_100020643023_100000183861 [0,1,0,0,0,0|2,0,1]=4 4026 B14R0.153 CCCNC(=O)CCCCCNC(=O)C 1626a_100020643023_100000183861 [0,1,0,0,0,0|2,0,1]=4 4027 B14R0.153 CCCNC(=O)CCCCCNC(=O)C 240690a_100020643023_100000183861 [0,1,0,0,0,0|2,0,1]=4 4028 B14R0.153 CCCNC(=O)CCCSCOC(=O)C 62a_100000076356_100011194427 [0,1,0,0,0,0|2,0,1]=4 4029 B14R0.153 CCCNC(=O)CCCSCOC(=O)C 62a_100011194427_100000076356 [0,1,0,0,0,0|2,0,1]=4 4030 B14R0.153 CCCNC(=O)CSCCCOC(=O)C 62a_100000042594_100000183358 [0,1,0,0,0,0|2,0,1]=4 4031 B14R0.153 CCCNC(=O)CSCCCOC(=O)C 62a_100000183358_100000042594 [0,1,0,0,0,0|2,0,1]=4 4032 B14R0.153 CCCOC(=O)CSCCCOC(=O)C 62a_100000042594_200011215008 [0,1,0,0,0,0|2,0,1]=4 4033 B14R0.153 CCCOC(=O)CSCCCOC(=O)C 62a_200011215008_100000042594 [0,1,0,0,0,0|2,0,1]=4 4034 B14R0.153 CCCOC(C)CNCCCCC(=O)C 34a_100015185124_100009817362 [0,1,0,0,0,0|3,0,0]=4 4035 B14R0.153 CCCOC(C)CNCCCOC(=O)C 34a_100015185124_100000042594 [0,1,0,0,0,0|2,0,0]=3 4036 B14R0.153 CCCOC(C)CNCCCOC(=S)C 2230a_100015185124_200135323944 [0,1,0,0,0,0|2,1,0]=4 4037 B14R0.153 CCCOC(C)CNCCCOC(=S)C 34a_100015185124_200135323944 [0,1,0,0,0,0|2,1,0]=4 4038 B14R0.153 CCCOC(C)CNCCCSC(=O)C 2230a_100015185124_100000038929 [0,1,0,0,0,0|2,1,0]=4 4039 B14R0.153 CCCOC(C)CNCCCSC(=O)C 34a_100015185124_100000038929 [0,1,0,0,0,0|2,1,0]=4 4040 B14R0.153 CCOCC(=O)CCCCCOC(=O)C 1458a_100000211967_100000033007 [0,1,0,0,0,0|1,0,1]=3 4041 B14R0.153 CCOCC(=O)CCOCCOC(=O)C 1458a_100000211967_200000083610 [0,1,0,0,0,0|2,0,1]=4 4042 B14R0.153 CCOCC(C)OCCCCOC(=O)C 34a_100000718985_100000033659 [0,1,0,0,0,0|2,0,0]=3 4043 B14R0.153 CCOCC(C)OCCCCOC(=O)C 7a_100000718985_100000033659 [0,1,0,0,0,0|2,0,0]=3 4044 B14R0.153 CCOCC(C)OCCCCSC(=O)C 34a_100000718985_200010402107 [0,1,0,0,0,0|2,1,0]=4 4045 B14R0.153 CCOCC(C)OCCCCSC(=O)C 7a_100000718985_200010402107 [0,1,0,0,0,0|2,1,0]=4 4046 B14R0.153 CCOCC(C)OCOCCOC(=O)C 34a_100000718985_100000076355 [0,1,0,0,0,0|3,0,0]=4 4047 B14R0.153 CCOCC(O)CNCCCCC(=O)C 34a_102515437182_100009817362 [0,1,0,0,0,0|3,0,0]=4 4048 B14R0.153 CCOCC(O)CNCCCOC(=O)C 34a_102515437182_100000042594 [0,1,0,0,0,0|2,0,0]=3 4049 B14R0.153 CCOCC(O)CNCCCOC(=S)C 2230a_102515437182_200135323944 [0,1,0,0,0,0|2,1,0]=4 4050 B14R0.153 CCOCC(O)CNCCCOC(=S)C 34a_102515437182_200135323944 [0,1,0,0,0,0|2,1,0]=4 4051 B14R0.153 CCOCC(O)CNCCCSC(=O)C 2230a_102515437182_100000038929 [0,1,0,0,0,0|2,1,0]=4 4052 B14R0.153 CCOCC(O)CNCCCSC(=O)C 34a_102515437182_100000038929 [0,1,0,0,0,0|2,1,0]=4 4053 B14R0.153 CCSCC(=O)CCCCCOC(=O)C 1458a_100000230394_100000033007 [0,1,0,0,0,0|1,0,1]=3 4054 B14R0.153 CCSCC(=O)CCOCCOC(=O)C 1458a_100000230394_200000083610 [0,1,0,0,0,0|2,0,1]=4 4055 B14R0.153 CCSCC(C)NCCCCNC(=O)C 270004a_200011368371_200011216171 [0,1,0,0,0,0|3,0,0]=4 4056 B14R0.153 COCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000233755 [0,1,0,0,0,0|2,0,1]=4 4057 B14R0.153 COCCC(=O)CCCCCOC(=O)C 1458a_100000749529_100000033007 [0,1,0,0,0,0|1,0,1]=3 4058 B14R0.153 COCCC(=O)CCOCCOC(=O)C 1458a_100000749529_200000083610 [0,1,0,0,0,0|2,0,1]=4 4059 B14R0.153 COCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000742357 [0,1,0,0,0,0|3,0,0]=4 4060 B14R0.153 COCCN(C)CCCCCOC(=O)C 2230a_100000743101_100009813381 [0,1,0,0,0,0|2,0,0]=3 4061 B14R0.153 COCCN(C)CCCCCOC(=O)C 269982a_100000743101_100000033007 [0,1,0,0,0,0|2,0,0]=3 4062 B14R0.153 COCCN(C)CCOCCOC(=O)C 2230a_100000743101_200000083610 [0,1,0,0,0,0|3,0,0]=4 4063 B14R0.153 COCCN(C)CCOCCOC(=O)C 269982a_100000743101_200000083610 [0,1,0,0,0,0|3,0,0]=4 4064 B14R0.153 COCO[C@H](C)COCCCOC(=O)C 34a_100016172286_100000042594 [0,1,0,0,0,0|3,0,0]=4 4065 B14R0.153 COCO[C@H](C)COCCCOC(=O)C 7a_100016172286_100000042594 [0,1,0,0,0,0|3,0,0]=4 4066 B14R0.153 CSCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000751147 [0,1,0,0,0,0|2,0,1]=4 4067 B14R0.153 CSCCC(=O)CCCCCOC(=O)C 1458a_100000174002_100000033007 [0,1,0,0,0,0|1,0,1]=3 4068 B14R0.153 CSCCC(=O)CCOCCOC(=O)C 1458a_100000174002_200000083610 [0,1,0,0,0,0|2,0,1]=4 4069 B14R0.153 CSCCC(C)NCCCCNC(=O)C 270004a_200011368371_100011217047 [0,1,0,0,0,0|3,0,0]=4 4070 B14R0.153 CSCCN(C)CCCCCOC(=O)C 2230a_100000686725_100009813381 [0,1,0,0,0,0|2,0,0]=3 4071 B14R0.153 CSCCN(C)CCCCCOC(=O)C 269982a_100000686725_100000033007 [0,1,0,0,0,0|2,0,0]=3 4072 B14R0.153 CSCCN(C)CCOCCOC(=O)C 2230a_100000686725_200000083610 [0,1,0,0,0,0|3,0,0]=4 4073 B14R0.153 CSCCN(C)CCOCCOC(=O)C 269982a_100000686725_200000083610 [0,1,0,0,0,0|3,0,0]=4 4074 B14R0.153 CSCC[C@H](N)COCCCCC(=O)C 34a_100011827619_100009817362 [0,1,0,0,0,0|3,0,0]=4 4075 B14R0.153 CSCC[C@H](N)COCCCOC(=O)C 34a_100011827619_100000042594 [0,1,0,0,0,0|2,0,0]=3 4076 B14R0.153 CSCC[C@H](N)COCCCOC(=S)C 34a_100011827619_200135323944 [0,1,0,0,0,0|2,1,0]=4 4077 B14R0.153 CSCC[C@H](N)COCCCSC(=O)C 34a_100011827619_100000038929 [0,1,0,0,0,0|2,1,0]=4 4078 B14R0.231 C#CCCCC(=O)CCCCOC(=O)C 1458a_100000690238_100000033659 [0,1,0,0,0,0|0,0,3]=4 4079 B14R0.231 C=CCCCC(=O)CCCCOC(=O)C 1458a_100000766728_100000033659 [0,1,0,0,0,0|0,0,3]=4 4080 B14R0.231 CC(=O)CCCOC[C@@H](N)CCCCN 34a_100016993712_100000685027 [0,1,0,0,0,0|3,0,0]=4 4081 B14R0.231 CC(=O)OCCCCC(=O)CCCC#N 1458a_100000075515_100000033659 [0,1,0,0,0,0|1,0,2]=4 4082 B14R0.231 CC(=O)OCCCCC(=O)CCCCO 1458a_100000695505_100000033659 [0,1,0,0,0,0|1,0,1]=3 4083 B14R0.231 CC(=O)OCCCCC(=O)COCCO 1458a_100000708028_100000033659 [0,1,0,0,0,0|2,0,1]=4 4084 B14R0.231 CC(=O)OCCCCN(C)CCCCO 269982a_100000717598_100000033659 [0,1,0,0,0,0|2,0,0]=3 4085 B14R0.231 CC(=O)OCCOCN(C)CCCCO 269982a_100000717598_100000076355 [0,1,0,0,0,0|3,0,0]=4 4086 B14R0.231 CC(=O)OCCOC[C@@H](N)CCCCN 34a_100016993712_100009814007 [0,1,0,0,0,0|2,0,0]=3 4087 B14R0.231 CC(=O)SCCCCC(=O)CCCCO 1458a_100000695505_200010402107 [0,1,0,0,0,0|1,1,1]=4 4088 B14R0.231 CC(=O)SCCCCN(C)CCCCO 2230a_100000717598_200010402107 [0,1,0,0,0,0|2,1,0]=4 4089 B14R0.231 CC(=O)SCCCCN(C)CCCCO 269982a_100000717598_200010402107 [0,1,0,0,0,0|2,1,0]=4 4090 B14R0.231 CC/C=C/CC(=O)CCCCOC(=O)C 1458a_100016274230_100000033659 [0,1,0,0,0,0|0,0,3]=4 4091 B14R0.231 CCC#CCC(C)OCCCOC(=O)C 34a_200000035118_100000042594 [0,1,0,0,0,0|1,0,2]=4 4092 B14R0.231 CCC#CCC(C)OCCCOC(=O)C 7a_200000035118_100000042594 [0,1,0,0,0,0|1,0,2]=4 4093 B14R0.231 CCCC#CC(=O)CCCCOC(=O)C 1458a_200011218047_100000033659 [0,1,0,0,0,0|0,0,3]=4 4094 B14R0.231 CCCC=CC(=O)CCCCOC(=O)C 1458a_100000212230_100000033659 [0,1,0,0,0,0|0,0,3]=4 4095 B14R0.231 CCCCCC(=O)CCCCCC(=O)N 1458a_100000212188_100009817443 [0,1,0,0,0,0|2,0,1]=4 4096 B14R0.231 CCCCCC(=O)CCCCOC(=O)C 1458a_100000212188_100000033659 [0,1,0,0,0,0|0,0,1]=2 4097 B14R0.231 CCCCCC(=O)CCCCO[N+](=O)[O-] 1458a_100000212188_100015694321 [0,1,0,0,0,0|2,0,1]=4 4098 B14R0.231 CCCCCC(=O)CCCCSC(=O)C 1458a_100000212188_200010402107 [0,1,0,0,0,0|0,1,1]=3 4099 B14R0.231 CCCCCC(=O)CNCCNC(=O)C 2230a_100000209853_200012276598 [0,1,0,0,0,0|2,0,1]=4 4100 B14R0.231 CCCCCC(=O)COCCCC(=O)C 34a_100000759063_200012276598 [0,1,0,0,0,0|2,0,1]=4 4101 B14R0.231 CCCCCC(=O)COCCCC(=O)C 7a_100000759063_200012276598 [0,1,0,0,0,0|2,0,1]=4 4102 B14R0.231 CCCCCC(=O)COCCNC(=O)C 34a_100000158858_200012276598 [0,1,0,0,0,0|2,0,1]=4 4103 B14R0.231 CCCCCC(=O)COCCOC(=O)N 7a_100000766696_200012276598 [0,1,0,0,0,0|2,0,1]=4 4104 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_100011215641_200012276598 [0,1,0,0,0,0|2,0,1]=4 4105 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_200012276598_100011215641 [0,1,0,0,0,0|2,0,1]=4 4106 B14R0.231 CCCCCC(=O)CSCCNC(=O)C 62a_100000189650_200012276598 [0,1,0,0,0,0|2,0,1]=4 4107 B14R0.231 CCCCCC(=O)CSCCNC(=O)C 62a_200012276598_100000189650 [0,1,0,0,0,0|2,0,1]=4 4108 B14R0.231 CCCCCC(=O)CSCCOC(=O)C 62a_100009814007_200012276598 [0,1,0,0,0,0|1,0,1]=3 4109 B14R0.231 CCCCCC(=O)CSCCOC(=O)C 62a_200012276598_100009814007 [0,1,0,0,0,0|1,0,1]=3 4110 B14R0.231 CCCCCC(=O)CSCCOC(=O)N 62a_200011214921_200012276598 [0,1,0,0,0,0|2,0,1]=4 4111 B14R0.231 CCCCCC(=O)CSCCOC(=O)N 62a_200012276598_200011214921 [0,1,0,0,0,0|2,0,1]=4 4112 B14R0.231 CCCCCC(=O)NCCCNC(=O)C 11a_100000736810_100000212188 [0,1,0,0,0,0|2,0,1]=4 4113 B14R0.231 CCCCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000212188 [0,1,0,0,0,0|2,0,1]=4 4114 B14R0.231 CCCCCC(=O)NCCCNC(=O)C 527a_100000736810_100000212188 [0,1,0,0,0,0|2,0,1]=4 4115 B14R0.231 CCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211708 [0,1,0,0,0,0|3,0,0]=4 4116 B14R0.231 CCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218191 [0,1,0,0,0,0|3,0,0]=4 4117 B14R0.231 CCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211708 [0,1,0,0,0,0|2,0,0]=3 4118 B14R0.231 CCCCCC(C)NCCCNC(=O)C 34a_100000736810_200011218191 [0,1,0,0,0,0|2,0,0]=3 4119 B14R0.231 CCCCCC(C)NCCCOC(=S)C 2230a_100000211957_200135323944 [0,1,0,0,0,0|1,1,0]=3 4120 B14R0.231 CCCCCC(C)NCCCOC(C)C 2230a_100000737246_200011218191 [0,1,0,0,0,0|2,0,1]=4 4121 B14R0.231 CCCCCC(C)NCCCOC(C)C 270004a_100000737246_100000211708 [0,1,0,0,0,0|2,0,1]=4 4122 B14R0.231 CCCCCC(C)NCCCOC(C)C 34a_100000737246_200011218191 [0,1,0,0,0,0|2,0,1]=4 4123 B14R0.231 CCCCCC(C)NCCCSC(=O)C 2230a_100000211957_100000038929 [0,1,0,0,0,0|1,1,0]=3 4124 B14R0.231 CCCCCC(C)OCCCCC(=O)C 34a_100011215632_100009817362 [0,1,0,0,0,0|2,0,0]=3 4125 B14R0.231 CCCCCC(C)OCCCCC(=O)C 7a_100011215632_100000735457 [0,1,0,0,0,0|2,0,0]=3 4126 B14R0.231 CCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218191 [0,1,0,0,0,0|3,0,0]=4 4127 B14R0.231 CCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218191 [0,1,0,0,0,0|3,0,0]=4 4128 B14R0.231 CCCCCC(C)OCCCNC(=O)C 34a_100000752032_200011218191 [0,1,0,0,0,0|2,0,0]=3 4129 B14R0.231 CCCCCC(C)OCCCOC(=O)C 34a_100011215632_100000042594 [0,1,0,0,0,0|1,0,0]=2 4130 B14R0.231 CCCCCC(C)OCCCOC(=O)C 7a_100011215632_100000042594 [0,1,0,0,0,0|1,0,0]=2 4131 B14R0.231 CCCCCC(C)OCCCOC(=S)C 34a_100011215632_200135323944 [0,1,0,0,0,0|1,1,0]=3 4132 B14R0.231 CCCCCC(C)OCCCOC(=S)C 7a_100011215632_200135323944 [0,1,0,0,0,0|1,1,0]=3 4133 B14R0.231 CCCCCC(C)OCCCSC(=O)C 34a_100011215632_100000038929 [0,1,0,0,0,0|1,1,0]=3 4134 B14R0.231 CCCCCC(C)OCCCSC(=O)C 7a_100011215632_100000038929 [0,1,0,0,0,0|1,1,0]=3 4135 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218191 [0,1,0,0,0,0|2,0,0]=3 4136 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_200011218191_100000735457 [0,1,0,0,0,0|2,0,0]=3 4137 B14R0.231 CCCCCC(C)SCCCOC(=O)C 62a_100000042594_200011218191 [0,1,0,0,0,0|1,0,0]=2 4138 B14R0.231 CCCCCC(C)SCCCOC(=O)C 62a_200011218191_100000042594 [0,1,0,0,0,0|1,0,0]=2 4139 B14R0.231 CCCCCC(C)SCCCOC(=S)C 62a_200011218191_200135323944 [0,1,0,0,0,0|1,1,0]=3 4140 B14R0.231 CCCCCC(C)SCCCOC(=S)C 62a_200135323944_200011218191 [0,1,0,0,0,0|1,1,0]=3 4141 B14R0.231 CCCCCC(C)SCCCSC(=O)C 62a_100000038929_200011218191 [0,1,0,0,0,0|1,1,0]=3 4142 B14R0.231 CCCCCC(C)SCCCSC(=O)C 62a_200011218191_100000038929 [0,1,0,0,0,0|1,1,0]=3 4143 B14R0.231 CCCCCN(C)CCCCCC(=O)N 2230a_100000223495_100009817443 [0,1,0,0,0,0|3,0,0]=4 4144 B14R0.231 CCCCCN(C)CCCCCC(=O)N 269982a_100000223495_100009817443 [0,1,0,0,0,0|3,0,0]=4 4145 B14R0.231 CCCCCN(C)CCCCOC(=O)C 269982a_100000223495_100000033659 [0,1,0,0,0,0|1,0,0]=2 4146 B14R0.231 CCCCCN(C)CCCCO[N+](=O)[O-] 269982a_100000223495_100015694321 [0,1,0,0,0,0|3,0,0]=4 4147 B14R0.231 CCCCCN(C)CCCCSC(=O)C 2230a_100000223495_200010402107 [0,1,0,0,0,0|1,1,0]=3 4148 B14R0.231 CCCCCN(C)CCCCSC(=O)C 269982a_100000223495_200010402107 [0,1,0,0,0,0|1,1,0]=3 4149 B14R0.231 CCCCCN(C)COCCOC(=O)C 269982a_100000223495_100000076355 [0,1,0,0,0,0|2,0,0]=3 4150 B14R0.231 CCCCNC(=O)CSCCOC(=O)C 62a_100000182744_100009814007 [0,1,0,0,0,0|2,0,1]=4 4151 B14R0.231 CCCCNC(=O)CSCCOC(=O)C 62a_100009814007_100000182744 [0,1,0,0,0,0|2,0,1]=4 4152 B14R0.231 CCCCOC(=O)CSCCOC(=O)C 62a_100000211628_100009814007 [0,1,0,0,0,0|2,0,1]=4 4153 B14R0.231 CCCCOC(=O)CSCCOC(=O)C 62a_100009814007_100000211628 [0,1,0,0,0,0|2,0,1]=4 4154 B14R0.231 CCCOCC(=O)CCCCOC(=O)C 1458a_100000745993_100000033659 [0,1,0,0,0,0|1,0,1]=3 4155 B14R0.231 CCCOCC(=O)CCCCSC(=O)C 1458a_100000745993_200010402107 [0,1,0,0,0,0|1,1,1]=4 4156 B14R0.231 CCCSCC(=O)CCCCOC(=O)C 1458a_100000217233_100000033659 [0,1,0,0,0,0|1,0,1]=3 4157 B14R0.231 CCCSCC(=O)CCCCSC(=O)C 1458a_100000217233_200010402107 [0,1,0,0,0,0|1,1,1]=4 4158 B14R0.231 CCCSCC(C)NCCCNC(=O)C 270004a_100000736810_100011343953 [0,1,0,0,0,0|3,0,0]=4 4159 B14R0.231 CCOCCC(=O)CCCCOC(=O)C 1458a_100000749530_100000033659 [0,1,0,0,0,0|1,0,1]=3 4160 B14R0.231 CCOCCC(=O)CCCCSC(=O)C 1458a_100000749530_200010402107 [0,1,0,0,0,0|1,1,1]=4 4161 B14R0.231 CCOCCC(C)NCCCNC(=O)C 270004a_100000736810_200011216536 [0,1,0,0,0,0|3,0,0]=4 4162 B14R0.231 CCSCCC(=O)CCCCOC(=O)C 1458a_100000230768_100000033659 [0,1,0,0,0,0|1,0,1]=3 4163 B14R0.231 CCSCCC(=O)CCCCSC(=O)C 1458a_100000230768_200010402107 [0,1,0,0,0,0|1,1,1]=4 4164 B14R0.231 COCCCC(=O)CCCCOC(=O)C 1458a_100000741012_100000033659 [0,1,0,0,0,0|1,0,1]=3 4165 B14R0.231 COCCCC(=O)CCCCSC(=O)C 1458a_100000741012_200010402107 [0,1,0,0,0,0|1,1,1]=4 4166 B14R0.231 COCCCC(C)OCCCCC(=O)C 34a_200011539412_100009817362 [0,1,0,0,0,0|3,0,0]=4 4167 B14R0.231 COCCCC(C)OCCCCC(=O)C 7a_200011539412_100000735457 [0,1,0,0,0,0|3,0,0]=4 4168 B14R0.231 COCCCC(C)OCCCOC(=O)C 34a_200011539412_100000042594 [0,1,0,0,0,0|2,0,0]=3 4169 B14R0.231 COCCCC(C)OCCCOC(=O)C 7a_200011539412_100000042594 [0,1,0,0,0,0|2,0,0]=3 4170 B14R0.231 COCCCC(C)OCCCOC(=S)C 34a_200011539412_200135323944 [0,1,0,0,0,0|2,1,0]=4 4171 B14R0.231 COCCCC(C)OCCCOC(=S)C 7a_200011539412_200135323944 [0,1,0,0,0,0|2,1,0]=4 4172 B14R0.231 COCCCC(C)OCCCSC(=O)C 34a_200011539412_100000038929 [0,1,0,0,0,0|2,1,0]=4 4173 B14R0.231 COCCCC(C)OCCCSC(=O)C 7a_200011539412_100000038929 [0,1,0,0,0,0|2,1,0]=4 4174 B14R0.231 COCCCN(C)CCCCOC(=O)C 269982a_100000224831_100000033659 [0,1,0,0,0,0|2,0,0]=3 4175 B14R0.231 COCCCN(C)CCCCSC(=O)C 2230a_100000224831_200010402107 [0,1,0,0,0,0|2,1,0]=4 4176 B14R0.231 COCCCN(C)CCCCSC(=O)C 269982a_100000224831_200010402107 [0,1,0,0,0,0|2,1,0]=4 4177 B14R0.231 COCCCN(C)COCCOC(=O)C 269982a_100000224831_100000076355 [0,1,0,0,0,0|3,0,0]=4 4178 B14R0.231 CSCCCC(=O)CCCCOC(=O)C 1458a_100000173376_100000033659 [0,1,0,0,0,0|1,0,1]=3 4179 B14R0.231 CSCCCC(=O)CCCCSC(=O)C 1458a_100000173376_200010402107 [0,1,0,0,0,0|1,1,1]=4 4180 B14R0.231 CSCCCC(C)NCCCNC(=O)C 270004a_100000736810_100011399439 [0,1,0,0,0,0|3,0,0]=4 4181 B14R0.231 NCCCC[C@H](N)COCCOC(=O)N 34a_100016993712_200011214921 [0,1,0,0,0,0|3,0,0]=4 4182 B14R0.305 C#CC(O)CCCCCSCOC(=O)C 62a_100000076356_200010408556 [0,1,0,0,0,0|1,0,2]=4 4183 B14R0.305 C#CC(O)CCCCCSCOC(=O)C 62a_200010408556_100000076356 [0,1,0,0,0,0|1,0,2]=4 4184 B14R0.305 C=C(C)CCOCCCCCC(C)CC 7a_200000035636_100000730704 [0,1,0,0,0,0|3,0,0]=4 4185 B14R0.305 C=CC(C)COCCCCCOC(=O)C 34a_100011215527_100000033007 [0,1,0,0,0,0|1,0,2]=4 4186 B14R0.305 C=CC(C)COCCCCCOC(=O)C 7a_100011215527_100000033007 [0,1,0,0,0,0|1,0,2]=4 4187 B14R0.305 C=CC(O)CSCCCCCOC(=O)C 62a_100000033007_100000730141 [0,1,0,0,0,0|1,0,2]=4 4188 B14R0.305 C=CC(O)CSCCCCCOC(=O)C 62a_100000730141_100000033007 [0,1,0,0,0,0|1,0,2]=4 4189 B14R0.305 C=C[C@H](N)COCCCCCOC(=O)C 34a_100016989147_100000033007 [0,1,0,0,0,0|1,0,2]=4 4190 B14R0.305 CC(=O)CCCCOCCC[C@@H](C)CN 34a_100160569302_100009817362 [0,1,0,0,0,0|3,0,0]=4 4191 B14R0.305 CC(=O)NCCCCCCNC(C)CO 2230a_200011996284_100012180447 [0,1,0,0,0,0|3,0,0]=4 4192 B14R0.305 CC(=O)NCCCCCCNC(C)CO 34a_200011996284_100012180447 [0,1,0,0,0,0|3,0,0]=4 4193 B14R0.305 CC(=O)NCCCCCNCC(O)CO 2230a_200012022750_100011219619 [0,1,0,0,0,0|3,0,0]=4 4194 B14R0.305 CC(=O)NCCCCCNCC(O)CO 34a_200012022750_100011219619 [0,1,0,0,0,0|3,0,0]=4 4195 B14R0.305 CC(=O)NCCCCCNC[C@@H](C)CO 2230a_200012022750_100000059175 [0,1,0,0,0,0|3,0,0]=4 4196 B14R0.305 CC(=O)NCCCCCNC[C@@H](C)CO 34a_200012022750_100000059175 [0,1,0,0,0,0|3,0,0]=4 4197 B14R0.305 CC(=O)NCCCCCNC[C@@H](O)CF 2230a_200012022750_100015614560 [0,1,0,0,0,0|3,0,0]=4 4198 B14R0.305 CC(=O)NCCCCCNC[C@@H](O)CF 34a_200012022750_100015614560 [0,1,0,0,0,0|3,0,0]=4 4199 B14R0.305 CC(=O)NCCCCCNC[C@@H](O)CO 2230a_200012022750_100009815848 [0,1,0,0,0,0|3,0,0]=4 4200 B14R0.305 CC(=O)NCCCCCNC[C@@H](O)CO 34a_200012022750_100009815848 [0,1,0,0,0,0|3,0,0]=4 4201 B14R0.305 CC(=O)OCCCCCNCC(C)CO 34a_100000744482_100000033007 [0,1,0,0,0,0|2,0,0]=3 4202 B14R0.305 CC(=O)OCCCCCNC[C@@H](F)CO 34a_100015665980_100000033007 [0,1,0,0,0,0|2,0,0]=3 4203 B14R0.305 CC(=O)OCCCCCNC[C@H](O)CO 2230a_100020644852_100009813381 [0,1,0,0,0,0|2,0,0]=3 4204 B14R0.305 CC(=O)OCCCCCOCC(C)CN 34a_100000744482_100000033007 [0,1,0,0,0,0|2,0,0]=3 4205 B14R0.305 CC(=O)OCCCCCOCC(Cl)CCl 34a_100000033668_100000033007 [0,1,0,0,0,0|2,0,0]=3 4206 B14R0.305 CC(=O)OCCCCCOC[C@H](F)CN 34a_100015665980_100000033007 [0,1,0,0,0,0|2,0,0]=3 4207 B14R0.305 CC(=O)OCCCCCSCC(O)CO 62a_100000033007_100011219619 [0,1,0,0,0,0|2,0,0]=3 4208 B14R0.305 CC(=O)OCCCCCSCC(O)CO 62a_100011219619_100000033007 [0,1,0,0,0,0|2,0,0]=3 4209 B14R0.305 CC(=O)OCCCCCSC[C@@H](C)CO 62a_100000033007_100000059175 [0,1,0,0,0,0|2,0,0]=3 4210 B14R0.305 CC(=O)OCCCCCSC[C@@H](C)CO 62a_100000059175_100000033007 [0,1,0,0,0,0|2,0,0]=3 4211 B14R0.305 CC(=O)OCCCCCSC[C@@H](O)CF 62a_100000033007_100015614560 [0,1,0,0,0,0|2,0,0]=3 4212 B14R0.305 CC(=O)OCCCCCSC[C@@H](O)CF 62a_100015614560_100000033007 [0,1,0,0,0,0|2,0,0]=3 4213 B14R0.305 CC(=O)OCCCCCSC[C@@H](O)CO 62a_100000033007_100009815848 [0,1,0,0,0,0|2,0,0]=3 4214 B14R0.305 CC(=O)OCCCCCSC[C@@H](O)CO 62a_100009815848_100000033007 [0,1,0,0,0,0|2,0,0]=3 4215 B14R0.305 CC(=O)OCCCCNCCC(C)CO 34a_106354213184_100000033659 [0,1,0,0,0,0|2,0,0]=3 4216 B14R0.305 CC(=O)OCCCOCCC[C@@H](C)CN 34a_100160569302_100000042594 [0,1,0,0,0,0|2,0,0]=3 4217 B14R0.305 CC(=O)OCCOCCNCC(C)CO 34a_100000744482_200000083610 [0,1,0,0,0,0|3,0,0]=4 4218 B14R0.305 CC(=O)OCCOCCNC[C@@H](F)CO 34a_100015665980_200000083610 [0,1,0,0,0,0|3,0,0]=4 4219 B14R0.305 CC(=O)OCCOCCNC[C@H](O)CO 2230a_100020644852_200000083610 [0,1,0,0,0,0|3,0,0]=4 4220 B14R0.305 CC(=O)OCCOCCOCC(C)CN 34a_100000744482_200000083610 [0,1,0,0,0,0|3,0,0]=4 4221 B14R0.305 CC(=O)OCCOCCOCC(Cl)CCl 34a_100000033668_200000083610 [0,1,0,0,0,0|3,0,0]=4 4222 B14R0.305 CC(=O)OCCOCCOC[C@H](F)CN 34a_100015665980_200000083610 [0,1,0,0,0,0|3,0,0]=4 4223 B14R0.305 CC(=O)OCCOCCSCC(O)CO 62a_100011219619_200000083610 [0,1,0,0,0,0|3,0,0]=4 4224 B14R0.305 CC(=O)OCCOCCSCC(O)CO 62a_200000083610_100011219619 [0,1,0,0,0,0|3,0,0]=4 4225 B14R0.305 CC(=O)OCCOCCSC[C@@H](C)CO 62a_100000059175_200000083610 [0,1,0,0,0,0|3,0,0]=4 4226 B14R0.305 CC(=O)OCCOCCSC[C@@H](C)CO 62a_200000083610_100000059175 [0,1,0,0,0,0|3,0,0]=4 4227 B14R0.305 CC(=O)OCCOCCSC[C@@H](O)CF 62a_100015614560_200000083610 [0,1,0,0,0,0|3,0,0]=4 4228 B14R0.305 CC(=O)OCCOCCSC[C@@H](O)CF 62a_200000083610_100015614560 [0,1,0,0,0,0|3,0,0]=4 4229 B14R0.305 CC(=O)OCCOCCSC[C@@H](O)CO 62a_100009815848_200000083610 [0,1,0,0,0,0|3,0,0]=4 4230 B14R0.305 CC(=O)OCCOCCSC[C@@H](O)CO 62a_200000083610_100009815848 [0,1,0,0,0,0|3,0,0]=4 4231 B14R0.305 CC(=O)OCCOCNCCC(C)CO 34a_106354213184_100000076355 [0,1,0,0,0,0|3,0,0]=4 4232 B14R0.305 CC(=O)SCCCCNCCC(C)CO 2230a_106354213184_200010402107 [0,1,0,0,0,0|2,1,0]=4 4233 B14R0.305 CC(=O)SCCCCNCCC(C)CO 34a_106354213184_200010402107 [0,1,0,0,0,0|2,1,0]=4 4234 B14R0.305 CC(=O)SCCCOCCC[C@@H](C)CN 34a_100160569302_100000038929 [0,1,0,0,0,0|2,1,0]=4 4235 B14R0.305 CC(=S)OCCCOCCC[C@@H](C)CN 34a_100160569302_200135323944 [0,1,0,0,0,0|2,1,0]=4 4236 B14R0.305 CCC(=O)COCCCCCOC(=O)C 34a_100000725409_100000033007 [0,1,0,0,0,0|1,0,1]=3 4237 B14R0.305 CCC(=O)COCCOCCOC(=O)C 34a_100000725409_200000083610 [0,1,0,0,0,0|2,0,1]=4 4238 B14R0.305 CCC(=O)CSCCCCCOC(=O)C 62a_100000033007_100000747405 [0,1,0,0,0,0|1,0,1]=3 4239 B14R0.305 CCC(=O)CSCCCCCOC(=O)C 62a_100000747405_100000033007 [0,1,0,0,0,0|1,0,1]=3 4240 B14R0.305 CCC(=O)CSCCOCCOC(=O)C 62a_100000747405_200000083610 [0,1,0,0,0,0|2,0,1]=4 4241 B14R0.305 CCC(=O)CSCCOCCOC(=O)C 62a_200000083610_100000747405 [0,1,0,0,0,0|2,0,1]=4 4242 B14R0.305 CCC(=O)NCCCCCCNC(=O)C 11a_200011996284_100000210414 [0,1,0,0,0,0|2,0,1]=4 4243 B14R0.305 CCC(=O)NCCCCCCNC(=O)C 1626a_200011996284_100000210414 [0,1,0,0,0,0|2,0,1]=4 4244 B14R0.305 CCC(=O)NCCCCCCNC(=O)C 240690a_200011996284_100000210414 [0,1,0,0,0,0|2,0,1]=4 4245 B14R0.305 CCC(=O)NCCCCCCNC(=O)C 527a_200011996284_100000210414 [0,1,0,0,0,0|2,0,1]=4 4246 B14R0.305 CCC(=O)NCCCCCCSC(=O)C 11a_100000704104_100000210414 [0,1,0,0,0,0|1,1,1]=4 4247 B14R0.305 CCC(=O)NCCCCCCSC(=O)C 1626a_100000704104_100000210414 [0,1,0,0,0,0|1,1,1]=4 4248 B14R0.305 CCC(=O)NCCCCCCSC(=O)C 240690a_100000704104_100000210414 [0,1,0,0,0,0|1,1,1]=4 4249 B14R0.305 CCC(=O)NCCCCCCSC(=O)C 527a_100000704104_100000210414 [0,1,0,0,0,0|1,1,1]=4 4250 B14R0.305 CCC(=O)NCCNCCCOC(=O)C 34a_100132302217_100000042594 [0,1,0,0,0,0|2,0,1]=4 4251 B14R0.305 CCC(=O)NCCOCCCOC(=O)C 34a_200000158885_100000042594 [0,1,0,0,0,0|2,0,1]=4 4252 B14R0.305 CCC(=O)NCCOCCCOC(=O)C 7a_200000158885_100000042594 [0,1,0,0,0,0|2,0,1]=4 4253 B14R0.305 CCC(=O)OCCOCCCOC(=O)C 7a_200000031056_100000042594 [0,1,0,0,0,0|2,0,1]=4 4254 B14R0.305 CCC(C)CCCCCOCC=C(C)C 7a_200000035636_100000761012 [0,1,0,0,0,0|3,0,0]=4 4255 B14R0.305 CCC(C)CCCCCOCCC(=O)C 7a_200000035636_100000053229 [0,1,0,0,0,0|2,0,0]=3 4256 B14R0.305 CCC(C)CCCCCOCCC(=O)N 7a_200000035636_100000744528 [0,1,0,0,0,0|3,0,0]=4 4257 B14R0.305 CCC(C)CCCOCCCCC(=O)C 7a_100011216074_100000735457 [0,1,0,0,0,0|2,0,0]=3 4258 B14R0.305 CCC(C)CCCOCCCOC(=O)C 7a_100011216074_100000042594 [0,1,0,0,0,0|1,0,0]=2 4259 B14R0.305 CCC(C)CCCOCCCOC(=S)C 7a_100011216074_200135323944 [0,1,0,0,0,0|1,1,0]=3 4260 B14R0.305 CCC(C)CCCOCCCSC(=O)C 7a_100011216074_100000038929 [0,1,0,0,0,0|1,1,0]=3 4261 B14R0.305 CCC(C)CCNCCCCCC(=O)N 2230a_100020591266_100009817443 [0,1,0,0,0,0|3,0,0]=4 4262 B14R0.305 CCC(C)CCNCCCCSC(=O)C 2230a_100020591266_200010402107 [0,1,0,0,0,0|1,1,0]=3 4263 B14R0.305 CCC(C)CCOCCCCCC(=O)N 7a_100011215188_100009817443 [0,1,0,0,0,0|3,0,0]=4 4264 B14R0.305 CCC(C)CCOCCCCOC(=O)C 7a_100011215188_100000033659 [0,1,0,0,0,0|1,0,0]=2 4265 B14R0.305 CCC(C)CCOCCCCO[N+](=O)[O-] 7a_100011215188_100015694321 [0,1,0,0,0,0|3,0,0]=4 4266 B14R0.305 CCC(C)CCOCCCCSC(=O)C 7a_100011215188_200010402107 [0,1,0,0,0,0|1,1,0]=3 4267 B14R0.305 CCC(C)CNCCCCCNC(=O)C 2230a_200012022750_100000748023 [0,1,0,0,0,0|2,0,0]=3 4268 B14R0.305 CCC(C)CNCCCCCNC(=O)C 270004a_200012022750_100000243153 [0,1,0,0,0,0|2,0,0]=3 4269 B14R0.305 CCC(C)CNCCCCCNC(=O)C 34a_200012022750_100000748023 [0,1,0,0,0,0|2,0,0]=3 4270 B14R0.305 CCC(C)CNCCCCCOC(=O)C 2230a_100020588543_100009813381 [0,1,0,0,0,0|1,0,0]=2 4271 B14R0.305 CCC(C)CNCCOCCOC(=O)C 2230a_100020588543_200000083610 [0,1,0,0,0,0|2,0,0]=3 4272 B14R0.305 CCC(C)CSCCCCCOC(=O)C 62a_100000033007_100000748023 [0,1,0,0,0,0|1,0,0]=2 4273 B14R0.305 CCC(C)CSCCCCCOC(=O)C 62a_100000748023_100000033007 [0,1,0,0,0,0|1,0,0]=2 4274 B14R0.305 CCC(C)CSCCOCCOC(=O)C 62a_100000748023_200000083610 [0,1,0,0,0,0|2,0,0]=3 4275 B14R0.305 CCC(C)CSCCOCCOC(=O)C 62a_200000083610_100000748023 [0,1,0,0,0,0|2,0,0]=3 4276 B14R0.305 CCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100000758301 [0,1,0,0,0,0|2,0,0]=3 4277 B14R0.305 CCC(C)NCCCCCCNC(=O)C 34a_200011996284_100011215416 [0,1,0,0,0,0|2,0,0]=3 4278 B14R0.305 CCC(O)CNCCCCCNC(=O)C 2230a_200012022750_100011218378 [0,1,0,0,0,0|2,0,0]=3 4279 B14R0.305 CCC(O)CNCCCCCNC(=O)C 34a_200012022750_100011218378 [0,1,0,0,0,0|2,0,0]=3 4280 B14R0.305 CCC(O)CNCCCCCOC(=O)C 2230a_100011218483_100009813381 [0,1,0,0,0,0|1,0,0]=2 4281 B14R0.305 CCC(O)CNCCOCCOC(=O)C 2230a_100011218483_200000083610 [0,1,0,0,0,0|2,0,0]=3 4282 B14R0.305 CCC(O)CSCCCCCOC(=O)C 62a_100000033007_100011218378 [0,1,0,0,0,0|1,0,0]=2 4283 B14R0.305 CCC(O)CSCCCCCOC(=O)C 62a_100011218378_100000033007 [0,1,0,0,0,0|1,0,0]=2 4284 B14R0.305 CCC(O)CSCCOCCOC(=O)C 62a_100011218378_200000083610 [0,1,0,0,0,0|2,0,0]=3 4285 B14R0.305 CCC(O)CSCCOCCOC(=O)C 62a_200000083610_100011218378 [0,1,0,0,0,0|2,0,0]=3 4286 B14R0.305 CCN(C)CCCSCCCCC(=O)C 62a_100000735457_100015186262 [0,1,0,0,0,0|3,0,0]=4 4287 B14R0.305 CCN(C)CCCSCCCOC(=O)C 62a_100000042594_100015186262 [0,1,0,0,0,0|2,0,0]=3 4288 B14R0.305 CCN(C)CCCSCCCOC(=S)C 62a_200135323944_100015186262 [0,1,0,0,0,0|2,1,0]=4 4289 B14R0.305 CCN(C)CCCSCCCSC(=O)C 62a_100000038929_100015186262 [0,1,0,0,0,0|2,1,0]=4 4290 B14R0.305 CC[C@H](C)CNCCCCCNC(=O)C 2230a_200012022750_100009816398 [0,1,0,0,0,0|2,0,0]=3 4291 B14R0.305 CC[C@H](C)CNCCCCCNC(=O)C 34a_200012022750_100009816398 [0,1,0,0,0,0|2,0,0]=3 4292 B14R0.305 CC[C@H](C)COCCCCCOC(=O)C 7a_100009816381_100000033007 [0,1,0,0,0,0|1,0,0]=2 4293 B14R0.305 CC[C@H](C)COCCOCCOC(=O)C 7a_100009816381_200000083610 [0,1,0,0,0,0|2,0,0]=3 4294 B14R0.305 CC[C@H](C)CSCCCCCOC(=O)C 62a_100000033007_100009816398 [0,1,0,0,0,0|1,0,0]=2 4295 B14R0.305 CC[C@H](C)CSCCCCCOC(=O)C 62a_100009816398_100000033007 [0,1,0,0,0,0|1,0,0]=2 4296 B14R0.305 CC[C@H](C)CSCCOCCOC(=O)C 62a_100009816398_200000083610 [0,1,0,0,0,0|2,0,0]=3 4297 B14R0.305 CC[C@H](C)CSCCOCCOC(=O)C 62a_200000083610_100009816398 [0,1,0,0,0,0|2,0,0]=3 4298 B14R0.305 CNC(=O)CCCNCCCOC(=O)C 34a_100000740002_100000042594 [0,1,0,0,0,0|2,0,1]=4 4299 B14R0.305 CNC(=O)CCCSCCCOC(=O)C 62a_100000042594_100000741757 [0,1,0,0,0,0|2,0,1]=4 4300 B14R0.305 CNC(=O)CCCSCCCOC(=O)C 62a_100000741757_100000042594 [0,1,0,0,0,0|2,0,1]=4 4301 B14R0.305 CNC(=O)CCNCCCCOC(=O)C 34a_100000738227_100000033659 [0,1,0,0,0,0|2,0,1]=4 4302 B14R0.305 CNC(=O)CCOCCCCOC(=O)C 34a_100000073216_100012179268 [0,1,0,0,0,0|2,0,1]=4 4303 B14R0.305 CNC(=O)CCOCCCCOC(=O)C 34a_100000754576_100000033659 [0,1,0,0,0,0|2,0,1]=4 4304 B14R0.305 CNC(=O)CCOCCCCOC(=O)C 7a_100000073216_100000737683 [0,1,0,0,0,0|2,0,1]=4 4305 B14R0.305 CNC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000737683 [0,1,0,0,0,0|2,0,1]=4 4306 B14R0.305 CNC(=O)CCSCCCCOC(=O)C 62a_100000737683_100000033659 [0,1,0,0,0,0|2,0,1]=4 4307 B14R0.305 CNC(=O)CNCCCCCOC(=O)C 2230a_100000693194_100009813381 [0,1,0,0,0,0|2,0,1]=4 4308 B14R0.305 CNC(=O)COCCCCCOC(=O)C 34a_100000750040_100000033007 [0,1,0,0,0,0|2,0,1]=4 4309 B14R0.305 CNC(=O)CSCCCCCOC(=O)C 62a_100000033007_100000183359 [0,1,0,0,0,0|2,0,1]=4 4310 B14R0.305 CNC(=O)CSCCCCCOC(=O)C 62a_100000183359_100000033007 [0,1,0,0,0,0|2,0,1]=4 4311 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000036616_200000210301 [0,1,0,0,0,0|2,0,1]=4 4312 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010282707 [0,1,0,0,0,0|2,0,1]=4 4313 B14R0.305 COC(=O)CCCCCCCCC(=O)[13CH3] 1458a_100000036616_200025704644 [0,1,0,0,0,0|2,0,1]=4 4314 B14R0.305 COC(=O)CCCCCCCNC(=O)C 188690a_100000687944_100015343762 [0,1,0,0,0,0|2,0,1]=4 4315 B14R0.305 COC(=O)CCCCCOCOC(=O)C 34a_100000074720_100009813279 [0,1,0,0,0,0|2,0,1]=4 4316 B14R0.305 COC(=O)CCCCCSCOC(=O)C 62a_100000076356_100009816466 [0,1,0,0,0,0|2,0,1]=4 4317 B14R0.305 COC(=O)CCCCCSCOC(=O)C 62a_100009816466_100000076356 [0,1,0,0,0,0|2,0,1]=4 4318 B14R0.305 COC(=O)CCCCOCCOC(=O)C 34a_100000059025_100009814007 [0,1,0,0,0,0|2,0,1]=4 4319 B14R0.305 COC(=O)CCCCOCCOC(=O)C 7a_100000059025_100009814007 [0,1,0,0,0,0|2,0,1]=4 4320 B14R0.305 COC(=O)CCCCSCCOC(=O)C 62a_100000204269_100009814007 [0,1,0,0,0,0|2,0,1]=4 4321 B14R0.305 COC(=O)CCCCSCCOC(=O)C 62a_100009814007_100000204269 [0,1,0,0,0,0|2,0,1]=4 4322 B14R0.305 COC(=O)CCCSCCCOC(=O)C 62a_100000042594_100011218270 [0,1,0,0,0,0|2,0,1]=4 4323 B14R0.305 COC(=O)CCCSCCCOC(=O)C 62a_100011218270_100000042594 [0,1,0,0,0,0|2,0,1]=4 4324 B14R0.305 COC(=O)CCOCCCCOC(=O)C 34a_100000073216_100000742370 [0,1,0,0,0,0|2,0,1]=4 4325 B14R0.305 COC(=O)CCOCCCCOC(=O)C 7a_100000073216_100000204255 [0,1,0,0,0,0|2,0,1]=4 4326 B14R0.305 COC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000204255 [0,1,0,0,0,0|2,0,1]=4 4327 B14R0.305 COC(=O)CCSCCCCOC(=O)C 62a_100000204255_100000033659 [0,1,0,0,0,0|2,0,1]=4 4328 B14R0.305 COC(=O)CSCCCCCOC(=O)C 62a_100000033007_100000747449 [0,1,0,0,0,0|2,0,1]=4 4329 B14R0.305 COC(=O)CSCCCCCOC(=O)C 62a_100000747449_100000033007 [0,1,0,0,0,0|2,0,1]=4 4330 B14R0.305 COC(C)CCOCCCCOC(=O)C 7a_100000764861_100000033659 [0,1,0,0,0,0|2,0,0]=3 4331 B14R0.305 COC(C)CCOCCCCSC(=O)C 7a_100000764861_200010402107 [0,1,0,0,0,0|2,1,0]=4 4332 B14R0.305 COC(C)COCCCCCOC(=O)C 34a_100000690652_100000033007 [0,1,0,0,0,0|2,0,0]=3 4333 B14R0.305 COC(C)COCCOCCOC(=O)C 34a_100000690652_200000083610 [0,1,0,0,0,0|3,0,0]=4 4334 B14R0.305 CO[C@H](C)CNCCCCCOC(=O)C 2230a_100020591295_100009813381 [0,1,0,0,0,0|2,0,0]=3 4335 B14R0.305 CO[C@H](C)CNCCOCCOC(=O)C 2230a_100020591295_200000083610 [0,1,0,0,0,0|3,0,0]=4 4336 B14R0.337 C#C/C(=C\COCCCCCCCC)/C 34a_100016990848_100000210759 [0,1,0,0,0,0|3,0,0]=4 4337 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [0,1,0,0,0,0|1,0,1]=3 4338 B14R0.337 C#CC(=O)CCCCCCCCCCO 1458a_100000211873_100009813290 [0,1,0,0,0,0|2,0,1]=4 4339 B14R0.337 C#CC(C)NCCCCCCCCCC 2230a_100000707721_100000210320 [0,1,0,0,0,0|2,0,1]=4 4340 B14R0.337 C#CC(C)NCCCCCCCCCC 34a_100000684558_200000035995 [0,1,0,0,0,0|2,0,1]=4 4341 B14R0.337 C#CC(C)NCCCCCCCCCC 34a_100000707721_100000210320 [0,1,0,0,0,0|2,0,1]=4 4342 B14R0.337 C#CC(C)OCCCCCCCCCBr 34a_100009813782_200000035995 [0,1,0,0,0,0|2,0,1]=4 4343 B14R0.337 C#CC(C)OCCCCCCCCCC 34a_100000210711_200000035995 [0,1,0,0,0,0|1,0,1]=3 4344 B14R0.337 C#CC(C)OCCCCCCCCCCl 34a_100009868337_200000035995 [0,1,0,0,0,0|2,0,1]=4 4345 B14R0.337 C#CC(C)OCCCCCCCCCN 34a_100000078944_200000035995 [0,1,0,0,0,0|2,0,1]=4 4346 B14R0.337 C#CC(C)SCCCCCCCCCC 62a_200000035995_100000210320 [0,1,0,0,0,0|1,1,1]=4 4347 B14R0.337 C#CCCCCCCSCOC(=O)OC 62a_100012276617_100000139417 [0,1,0,0,0,0|1,0,2]=4 4348 B14R0.337 C#CCCCCCOCCOC(=O)CC 7a_200000031056_100012094781 [0,1,0,0,0,0|1,0,2]=4 4349 B14R0.337 C#CCCCCCOCCOC(=O)NC 34a_100000766912_200011997002 [0,1,0,0,0,0|1,0,2]=4 4350 B14R0.337 C#CCCCCCOCCOC(=O)NC 7a_100000766912_200011997002 [0,1,0,0,0,0|1,0,2]=4 4351 B14R0.337 C#CCCCCCOCCOC(=O)OC 34a_100010262106_100012094781 [0,1,0,0,0,0|1,0,2]=4 4352 B14R0.337 C#CCCCCCSCCOC(=O)NC 62a_100012094781_200011997002 [0,1,0,0,0,0|1,0,2]=4 4353 B14R0.337 C#CCCCCCSCCOC(=O)NC 62a_200011997002_100012094781 [0,1,0,0,0,0|1,0,2]=4 4354 B14R0.337 C#C[C@@H](C)OCCCCCCCCCC 34a_100009815206_100000210320 [0,1,0,0,0,0|1,0,1]=3 4355 B14R0.337 C#C[C@@H](C)OCCCCCCCCCC 7a_100009815206_100000210320 [0,1,0,0,0,0|1,0,1]=3 4356 B14R0.337 C#C[C@@H](C)OCCCCCCCCCO 34a_100009815206_100009813782 [0,1,0,0,0,0|2,0,1]=4 4357 B14R0.337 C#C[C@@H](C)OCCCCCCCCCO 7a_100009815206_100009813782 [0,1,0,0,0,0|2,0,1]=4 4358 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [0,1,0,0,0,0|1,0,1]=3 4359 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [0,1,0,0,0,0|2,0,1]=4 4360 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [0,1,0,0,0,0|1,0,1]=3 4361 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [0,1,0,0,0,0|1,0,1]=3 4362 B14R0.337 C=CC(=O)NCCCCCCCCCO 240690a_100000078944_200121576911 [0,1,0,0,0,0|2,0,1]=4 4363 B14R0.337 C=CC(=O)NCCCCOCCCCC 34a_100014118770_100000718602 [0,1,0,0,0,0|2,0,1]=4 4364 B14R0.337 C=CC(=O)NCCNCCCCCCC 2230a_114873766552_100000210681 [0,1,0,0,0,0|2,0,1]=4 4365 B14R0.337 C=CC(=O)NCCOCCCCCCC 34a_100011304386_100000210614 [0,1,0,0,0,0|2,0,1]=4 4366 B14R0.337 C=CC(=O)OCCCCCCNCCF 34a_100000724931_100009894100 [0,1,0,0,0,0|2,0,1]=4 4367 B14R0.337 C=CC(=O)OCCCCCCNCCO 2230a_100016997473_100009894100 [0,1,0,0,0,0|2,0,1]=4 4368 B14R0.337 C=CC(=O)OCCCCCCNCCO 34a_100016990907_100009894100 [0,1,0,0,0,0|2,0,1]=4 4369 B14R0.337 C=CC(=O)OCCCCCCOCCBr 34a_100000211926_100009894100 [0,1,0,0,0,0|2,0,1]=4 4370 B14R0.337 C=CC(=O)OCCCCCCOCCC 34a_100000210258_100009894100 [0,1,0,0,0,0|1,0,1]=3 4371 B14R0.337 C=CC(=O)OCCCCCCOCCN 34a_100000210304_100009894100 [0,1,0,0,0,0|2,0,1]=4 4372 B14R0.337 C=CC(=O)OCCCCCCSCCC 62a_100000210303_100009894100 [0,1,0,0,0,0|1,0,1]=3 4373 B14R0.337 C=CC(=O)OCCCCCCSCCC 62a_100009894100_100000210303 [0,1,0,0,0,0|1,0,1]=3 4374 B14R0.337 C=CC(=O)OCCCCCCSCCF 62a_100009894100_100011217306 [0,1,0,0,0,0|2,0,1]=4 4375 B14R0.337 C=CC(=O)OCCCCCCSCCF 62a_100011217306_100009894100 [0,1,0,0,0,0|2,0,1]=4 4376 B14R0.337 C=CC(=O)OCCCCCCSCCO 62a_100000211926_100009894100 [0,1,0,0,0,0|2,0,1]=4 4377 B14R0.337 C=CC(=O)OCCCCCCSCCO 62a_100009894100_100000211926 [0,1,0,0,0,0|2,0,1]=4 4378 B14R0.337 C=CC(=O)OCCCCCCSCOC 62a_100000766300_100009894100 [0,1,0,0,0,0|2,0,1]=4 4379 B14R0.337 C=CC(=O)OCCCCCCSCOC 62a_100009894100_100000766300 [0,1,0,0,0,0|2,0,1]=4 4380 B14R0.337 C=CC(=O)OCCCCCCSCSC 62a_100009894100_100011218213 [0,1,0,0,0,0|2,0,1]=4 4381 B14R0.337 C=CC(=O)OCCCCCCSCSC 62a_100011218213_100009894100 [0,1,0,0,0,0|2,0,1]=4 4382 B14R0.337 C=CC(=O)OCCCCCOCCCC 7a_200011023508_100000210211 [0,1,0,0,0,0|1,0,1]=3 4383 B14R0.337 C=CC(=O)OCCCCCOCCCF 7a_200011023508_100011934791 [0,1,0,0,0,0|2,0,1]=4 4384 B14R0.337 C=CC(=O)OCCCCCOCCCO 7a_200011023508_100011215043 [0,1,0,0,0,0|2,0,1]=4 4385 B14R0.337 C=CC(=O)OCCCCCOCCOC 7a_200011023508_100000233755 [0,1,0,0,0,0|2,0,1]=4 4386 B14R0.337 C=CC(=O)OCCCCCOCCSC 7a_200011023508_100000212216 [0,1,0,0,0,0|2,0,1]=4 4387 B14R0.337 C=CC(=O)OCCNCCCCCCC 2230a_100000229938_100009813456 [0,1,0,0,0,0|1,0,1]=3 4388 B14R0.337 C=CC(=O)OCCNCCCCCCO 2230a_100000686447_100009813456 [0,1,0,0,0,0|2,0,1]=4 4389 B14R0.337 C=CC(=O)OCCNCCCCCCO 34a_100000686447_100009813456 [0,1,0,0,0,0|2,0,1]=4 4390 B14R0.337 C=CC(=O)OCCNCCCCCOC 2230a_100000747528_100009813456 [0,1,0,0,0,0|2,0,1]=4 4391 B14R0.337 C=CC(=O)OCCNCCCCCOC 34a_100000747528_100009813456 [0,1,0,0,0,0|2,0,1]=4 4392 B14R0.337 C=CC(=O)OCCNCCCOCCC 2230a_100011217757_100009813456 [0,1,0,0,0,0|2,0,1]=4 4393 B14R0.337 C=CC(=O)OCCNCCCOCCC 34a_100011217757_100009813456 [0,1,0,0,0,0|2,0,1]=4 4394 B14R0.337 C=CC(=O)OCCNCCSCCCC 2230a_100025743550_100009813456 [0,1,0,0,0,0|2,0,1]=4 4395 B14R0.337 C=CC(=O)OCCOCCCCCCBr 34a_100011215345_100009813456 [0,1,0,0,0,0|2,0,1]=4 4396 B14R0.337 C=CC(=O)OCCOCCCCCCBr 7a_100011215345_100009813456 [0,1,0,0,0,0|2,0,1]=4 4397 B14R0.337 C=CC(=O)OCCOCCCCCCC 34a_100000210272_100009813456 [0,1,0,0,0,0|1,0,1]=3 4398 B14R0.337 C=CC(=O)OCCOCCCCCCC 7a_100000210272_100009813456 [0,1,0,0,0,0|1,0,1]=3 4399 B14R0.337 C=CC(=O)OCCOCCCCCCCl 34a_100000766143_100009813456 [0,1,0,0,0,0|2,0,1]=4 4400 B14R0.337 C=CC(=O)OCCOCCCCCCCl 7a_100000766143_100009813456 [0,1,0,0,0,0|2,0,1]=4 4401 B14R0.337 C=CC(=O)OCCOCCCCCCF 34a_100000732779_100009813456 [0,1,0,0,0,0|2,0,1]=4 4402 B14R0.337 C=CC(=O)OCCOCCCCCCF 7a_100000732779_100009813456 [0,1,0,0,0,0|2,0,1]=4 4403 B14R0.337 C=CC(=O)OCCOCCCCCCN 34a_100000686447_100009813456 [0,1,0,0,0,0|2,0,1]=4 4404 B14R0.337 C=CC(=O)OCCOCCCCCNC 34a_100000722520_100009813456 [0,1,0,0,0,0|2,0,1]=4 4405 B14R0.337 C=CC(=O)OCCOCCOCCCC 34a_100000210238_100009813456 [0,1,0,0,0,0|2,0,1]=4 4406 B14R0.337 C=CC(=O)OCCOCCOCCCC 7a_100000210238_100009813456 [0,1,0,0,0,0|2,0,1]=4 4407 B14R0.337 C=CC(=O)OCCOCCSCCCC 34a_200000230436_100009813456 [0,1,0,0,0,0|2,0,1]=4 4408 B14R0.337 C=CC(=O)OCCOCCSCCCC 7a_200000230436_100009813456 [0,1,0,0,0,0|2,0,1]=4 4409 B14R0.337 C=CC(=O)OCCSCCCCCCC 62a_100000210614_100009813456 [0,1,0,0,0,0|1,0,1]=3 4410 B14R0.337 C=CC(=O)OCCSCCCCCCC 62a_100009813456_100000210316 [0,1,0,0,0,0|1,0,1]=3 4411 B14R0.337 C=CC(=O)OCCSCCCCCCF 62a_100009813456_100015922095 [0,1,0,0,0,0|2,0,1]=4 4412 B14R0.337 C=CC(=O)OCCSCCCCCCF 62a_100015922095_100009813456 [0,1,0,0,0,0|2,0,1]=4 4413 B14R0.337 C=CC(=O)OCCSCCCCCCO 62a_100000766143_100009813456 [0,1,0,0,0,0|2,0,1]=4 4414 B14R0.337 C=CC(=O)OCCSCCCCCCO 62a_100009813456_100000766143 [0,1,0,0,0,0|2,0,1]=4 4415 B14R0.337 C=CC(=O)OCCSCCOCCCC 62a_100000743108_100009813456 [0,1,0,0,0,0|2,0,1]=4 4416 B14R0.337 C=CC(=O)OCCSCCOCCCC 62a_100009813456_100000743108 [0,1,0,0,0,0|2,0,1]=4 4417 B14R0.337 C=CC(C)OCCCCCCCCCC 34a_100000695699_100000210320 [0,1,0,0,0,0|1,0,1]=3 4418 B14R0.337 C=CC(C)OCCCCCCCCCO 34a_100000695699_100009813782 [0,1,0,0,0,0|2,0,1]=4 4419 B14R0.337 C=CC(C)SCCCCCCCCCC 62a_100011215867_100000210320 [0,1,0,0,0,0|1,1,1]=4 4420 B14R0.337 C=CCCCCCCCCCC(=O)CC 1458a_100000210414_100009814027 [0,1,0,0,0,0|1,0,2]=4 4421 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [0,1,0,0,0,0|1,0,2]=4 4422 B14R0.337 C=CCCCCCCSCOC(=O)OC 62a_100011215473_100000139417 [0,1,0,0,0,0|1,0,2]=4 4423 B14R0.337 C=CCCCCCOCCOC(=O)CC 7a_200000031056_100000700193 [0,1,0,0,0,0|1,0,2]=4 4424 B14R0.337 C=CCCCCCOCCOC(=O)NC 34a_100011216702_200011997002 [0,1,0,0,0,0|1,0,2]=4 4425 B14R0.337 C=CCCCCCOCCOC(=O)NC 7a_100011216702_200011997002 [0,1,0,0,0,0|1,0,2]=4 4426 B14R0.337 C=CCCCCCOCCOC(=O)OC 34a_100010262106_100000700193 [0,1,0,0,0,0|1,0,2]=4 4427 B14R0.337 C=CCCCCCSCCOC(=O)NC 62a_100000700193_200011997002 [0,1,0,0,0,0|1,0,2]=4 4428 B14R0.337 C=CCCCCCSCCOC(=O)NC 62a_200011997002_100000700193 [0,1,0,0,0,0|1,0,2]=4 4429 B14R0.337 CC(C#N)OCCCCCCCCCBr 7a_100009813782_100000703298 [0,1,0,0,0,0|2,0,1]=4 4430 B14R0.337 CC(C#N)OCCCCCCCCCCl 7a_100009868337_100000703298 [0,1,0,0,0,0|2,0,1]=4 4431 B14R0.337 CC(C#N)OCCCCCCCCCO 34a_100011218135_100009813782 [0,1,0,0,0,0|2,0,1]=4 4432 B14R0.337 CC(CF)OCCCCCCCCCO 34a_100016041109_100009813782 [0,1,0,0,0,0|2,0,1]=4 4433 B14R0.337 CC(CF)OCCCCCCCCCO 7a_100016041109_100009813782 [0,1,0,0,0,0|2,0,1]=4 4434 B14R0.337 CC(CN)OCCCCCCCCCO 34a_100000210904_100009813782 [0,1,0,0,0,0|2,0,1]=4 4435 B14R0.337 CC(CO)OCCCCCCCCCBr 34a_100009813782_100012180447 [0,1,0,0,0,0|1,0,2]=4 4436 B14R0.337 CC(CO)OCCCCCCCCCBr 7a_100009813782_100012180447 [0,1,0,0,0,0|1,0,2]=4 4437 B14R0.337 CC(CO)OCCCCCCCCCCl 34a_100009868337_100012180447 [0,1,0,0,0,0|1,0,2]=4 4438 B14R0.337 CC(CO)OCCCCCCCCCCl 7a_100009868337_100012180447 [0,1,0,0,0,0|1,0,2]=4 4439 B14R0.337 CC(CO)OCCCCCCCCCN 34a_100000078944_100012180447 [0,1,0,0,0,0|1,0,2]=4 4440 B14R0.337 CC/C=C/CCCOCCOC(=O)NC 34a_100016287902_200011997002 [0,1,0,0,0,0|1,0,2]=4 4441 B14R0.337 CC/C=C/CCCOCCOC(=O)NC 7a_100016287902_200011997002 [0,1,0,0,0,0|1,0,2]=4 4442 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [0,1,0,0,0,0|2,0,0]=3 4443 B14R0.337 CCC(=O)COCCCCCCCCBr 7a_100009813846_100000747405 [0,1,0,0,0,0|3,0,0]=4 4444 B14R0.337 CCC(=O)COCCCCCCCCCl 7a_100000033203_100000747405 [0,1,0,0,0,0|3,0,0]=4 4445 B14R0.337 CCC(=O)COCCCCCCCCO 34a_100000725409_100000033203 [0,1,0,0,0,0|3,0,0]=4 4446 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000033203_100000747405 [0,1,0,0,0,0|3,0,0]=4 4447 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000747405_100000033203 [0,1,0,0,0,0|3,0,0]=4 4448 B14R0.337 CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210414 [0,1,0,0,0,0|2,0,0]=3 4449 B14R0.337 CCC(=O)NCCNCCCCCCF 34a_100132302217_100015922095 [0,1,0,0,0,0|3,0,0]=4 4450 B14R0.337 CCC(=O)NCCNCCCCCCO 34a_100132302217_100000766143 [0,1,0,0,0,0|3,0,0]=4 4451 B14R0.337 CCC(=O)NCCOCCCCCCF 34a_200000158885_100015922095 [0,1,0,0,0,0|3,0,0]=4 4452 B14R0.337 CCC(=O)NCCOCCCCCCF 7a_200000158885_100015922095 [0,1,0,0,0,0|3,0,0]=4 4453 B14R0.337 CCC(=O)NCCOCCCCCCO 34a_200000158885_100000766143 [0,1,0,0,0,0|3,0,0]=4 4454 B14R0.337 CCC(=O)NCCOCCCCCCO 7a_200000158885_100000766143 [0,1,0,0,0,0|3,0,0]=4 4455 B14R0.337 CCC(=O)OCCOCCCCCC#N 7a_200000031056_100009813376 [0,1,0,0,0,0|2,0,1]=4 4456 B14R0.337 CCC(=O)OCCOCCCCCC=O 7a_200000031056_100000139337 [0,1,0,0,0,0|2,0,1]=4 4457 B14R0.337 CCC(=O)OCCOCCCCCCF 7a_200000031056_100015922095 [0,1,0,0,0,0|2,0,0]=3 4458 B14R0.337 CCC(=O)OCCOCCCCCCO 7a_200000031056_100000766143 [0,1,0,0,0,0|2,0,0]=3 4459 B14R0.337 CCC(=O)OCCOCCOCCOC 7a_200000031056_100000695917 [0,1,0,0,0,0|3,0,0]=4 4460 B14R0.337 CCC(C)OCCCCCCCCCBr 34a_100009813782_100011215416 [0,1,0,0,0,0|2,0,1]=4 4461 B14R0.337 CCC(C)OCCCCCCCCCBr 7a_100009813782_100000758301 [0,1,0,0,0,0|2,0,1]=4 4462 B14R0.337 CCC(C)OCCCCCCCCCCl 34a_100009868337_100011215416 [0,1,0,0,0,0|2,0,1]=4 4463 B14R0.337 CCC(C)OCCCCCCCCCCl 7a_100009868337_100000758301 [0,1,0,0,0,0|2,0,1]=4 4464 B14R0.337 CCC(C)OCCCCCCCCCN 34a_100000078944_100011215416 [0,1,0,0,0,0|2,0,1]=4 4465 B14R0.337 CCC(C)OCCCCCCCCCO 7a_100000210228_100009813782 [0,1,0,0,0,0|2,0,1]=4 4466 B14R0.337 CCCC#CCCOCCOC(=O)NC 34a_100000042726_200011997002 [0,1,0,0,0,0|1,0,2]=4 4467 B14R0.337 CCCC#CCCOCCOC(=O)NC 7a_100000042726_200011997002 [0,1,0,0,0,0|1,0,2]=4 4468 B14R0.337 CCCC/C=C/COCCOC(=O)NC 34a_200016272032_200011997002 [0,1,0,0,0,0|1,0,2]=4 4469 B14R0.337 CCCC/C=C/COCCOC(=O)NC 7a_200016272032_200011997002 [0,1,0,0,0,0|1,0,2]=4 4470 B14R0.337 CCCCC#CCOCCOC(=O)NC 34a_200000034558_200011997002 [0,1,0,0,0,0|1,0,2]=4 4471 B14R0.337 CCCCC#CCOCCOC(=O)NC 7a_200000034558_200011997002 [0,1,0,0,0,0|1,0,2]=4 4472 B14R0.337 CCCCCC#CCSCOC(=O)OC 62a_100009816472_100000139417 [0,1,0,0,0,0|1,0,2]=4 4473 B14R0.337 CCCCCCCCC=NNC(=O)CC 4a_100000183195_100011218696 [0,1,0,0,0,0|2,0,1]=4 4474 B14R0.337 CCCCCCCCCC=CC(=O)CC 1458a_200015352897_100000210202 [0,1,0,0,0,0|1,0,1]=3 4475 B14R0.337 CCCCCCCCCC=CC(=O)CF 1458a_200015352897_100015361967 [0,1,0,0,0,0|1,0,1]=3 4476 B14R0.337 CCCCCCCCCC=CC(=O)NC 11a_106832991635_200015352897 [0,1,0,0,0,0|1,0,1]=3 4477 B14R0.337 CCCCCCCCCC=CC(=O)NC 1626a_100102657272_200015352897 [0,1,0,0,0,0|1,0,1]=3 4478 B14R0.337 CCCCCCCCCC=CC(=O)NC 240690a_100102657272_200015352897 [0,1,0,0,0,0|1,0,1]=3 4479 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [0,1,0,0,0,0|1,0,0]=2 4480 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [0,1,0,0,0,0|1,0,0]=2 4481 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [0,1,0,0,0,0|1,0,0]=2 4482 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [0,1,0,0,0,0|1,0,0]=2 4483 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [0,1,0,0,0,0|1,0,0]=2 4484 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [0,1,0,0,0,0|1,0,0]=2 4485 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [0,1,0,0,0,0|1,0,0]=2 4486 B14R0.337 CCCCCCCCCCCC(C)NC 270004a_106832991635_100011216755 [0,1,0,0,0,0|2,0,1]=4 4487 B14R0.337 CCCCCCCCCCCC(C)OC 34a_100011217895_200000210301 [0,1,0,0,0,0|1,0,2]=4 4488 B14R0.337 CCCCCCCCCCCC(C)OC 7a_100011217895_200000210301 [0,1,0,0,0,0|1,0,2]=4 4489 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 34a_100011217895_200025704644 [0,1,0,0,0,0|1,0,2]=4 4490 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 7a_100011217895_200025704644 [0,1,0,0,0,0|1,0,2]=4 4491 B14R0.337 CCCCCCCCCCCN(C)CC 2230a_100000225621_100011215454 [0,1,0,0,0,0|3,0,0]=4 4492 B14R0.337 CCCCCCCCCCCN(C)CC 269982a_100000225621_100011215454 [0,1,0,0,0,0|3,0,0]=4 4493 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [0,1,0,0,0,0|1,0,0]=2 4494 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [0,1,0,0,0,0|1,0,0]=2 4495 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [0,1,0,0,0,0|1,0,0]=2 4496 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [0,1,0,0,0,0|1,0,0]=2 4497 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [0,1,0,0,0,0|1,0,0]=2 4498 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [0,1,0,0,0,0|1,0,0]=2 4499 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [0,1,0,0,0,0|1,0,0]=2 4500 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [0,1,0,0,0,0|1,0,0]=2 4501 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [0,1,0,0,0,0|1,0,0]=2 4502 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [0,1,0,0,0,0|1,0,0]=2 4503 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [0,1,0,0,0,0|1,0,0]=2 4504 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [0,1,0,0,0,0|1,0,0]=2 4505 B14R0.337 CCCCCCCCCCNC(C)C#N 2230a_100000684558_100000184139 [0,1,0,0,0,0|2,0,1]=4 4506 B14R0.337 CCCCCCCCCCNC(C)C#N 2230a_100000737613_100000210320 [0,1,0,0,0,0|2,0,1]=4 4507 B14R0.337 CCCCCCCCCCNC(C)CC 2230a_100000209981_100000210320 [0,1,0,0,0,0|2,0,1]=4 4508 B14R0.337 CCCCCCCCCCNC(C)CC 2230a_100000684558_100000758301 [0,1,0,0,0,0|2,0,1]=4 4509 B14R0.337 CCCCCCCCCCNC(C)CC 34a_100000684558_100011215416 [0,1,0,0,0,0|2,0,1]=4 4510 B14R0.337 CCCCCCCCCCNC(C)CO 2230a_100000684558_100012180447 [0,1,0,0,0,0|1,0,2]=4 4511 B14R0.337 CCCCCCCCCCNC(C)CO 34a_100000684558_100012180447 [0,1,0,0,0,0|1,0,2]=4 4512 B14R0.337 CCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210320 [0,1,0,0,0,0|1,0,2]=4 4513 B14R0.337 CCCCCCCCCCOC(C)C#N 34a_100011218135_100000210320 [0,1,0,0,0,0|1,0,1]=3 4514 B14R0.337 CCCCCCCCCCOC(C)C#N 7a_100000210711_100000703298 [0,1,0,0,0,0|1,0,1]=3 4515 B14R0.337 CCCCCCCCCCOC(C)CC 34a_100000210711_100011215416 [0,1,0,0,0,0|1,0,1]=3 4516 B14R0.337 CCCCCCCCCCOC(C)CC 7a_100000210228_100000210320 [0,1,0,0,0,0|1,0,1]=3 4517 B14R0.337 CCCCCCCCCCOC(C)CC 7a_100000210711_100000758301 [0,1,0,0,0,0|1,0,1]=3 4518 B14R0.337 CCCCCCCCCCOC(C)CF 34a_100016041109_100000210320 [0,1,0,0,0,0|1,0,1]=3 4519 B14R0.337 CCCCCCCCCCOC(C)CF 7a_100016041109_100000210320 [0,1,0,0,0,0|1,0,1]=3 4520 B14R0.337 CCCCCCCCCCOC(C)CN 34a_100000210904_100000210320 [0,1,0,0,0,0|1,0,1]=3 4521 B14R0.337 CCCCCCCCCCOC(C)CO 34a_100000210711_100012180447 [0,1,0,0,0,0|0,0,2]=3 4522 B14R0.337 CCCCCCCCCCOC(C)CO 7a_100000210711_100012180447 [0,1,0,0,0,0|0,0,2]=3 4523 B14R0.337 CCCCCCCCCCSC(C)C#N 62a_100000703298_100000210320 [0,1,0,0,0,0|1,1,1]=4 4524 B14R0.337 CCCCCCCCCCSC(C)CC 62a_100000758301_100000210320 [0,1,0,0,0,0|1,1,1]=4 4525 B14R0.337 CCCCCCCCCCSC(C)CO 62a_100012180447_100000210320 [0,1,0,0,0,0|0,1,2]=4 4526 B14R0.337 CCCCCCCCCCSC(C)OC 62a_100009879195_100000210320 [0,1,0,0,0,0|0,1,2]=4 4527 B14R0.337 CCCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210320 [0,1,0,0,0,0|0,1,2]=4 4528 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [0,1,0,0,0,0|2,0,0]=3 4529 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [0,1,0,0,0,0|2,0,0]=3 4530 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [0,1,0,0,0,0|2,0,0]=3 4531 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [0,1,0,0,0,0|2,0,0]=3 4532 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [0,1,0,0,0,0|2,0,0]=3 4533 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [0,1,0,0,0,0|2,0,0]=3 4534 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [0,1,0,0,0,0|2,0,0]=3 4535 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [0,1,0,0,0,0|2,0,0]=3 4536 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [0,1,0,0,0,0|2,0,0]=3 4537 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [0,1,0,0,0,0|2,0,0]=3 4538 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [0,1,0,0,0,0|2,0,0]=3 4539 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [0,1,0,0,0,0|2,0,0]=3 4540 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [0,1,0,0,0,0|2,0,0]=3 4541 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [0,1,0,0,0,0|2,0,0]=3 4542 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [0,1,0,0,0,0|2,0,0]=3 4543 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [0,1,0,0,0,0|2,0,0]=3 4544 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [0,1,0,0,0,0|2,0,0]=3 4545 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [0,1,0,0,0,0|2,0,0]=3 4546 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [0,1,0,0,0,0|2,0,0]=3 4547 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [0,1,0,0,0,0|2,0,0]=3 4548 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [0,1,0,0,0,0|2,0,0]=3 4549 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [0,1,0,0,0,0|2,0,0]=3 4550 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [0,1,0,0,0,0|2,0,0]=3 4551 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [0,1,0,0,0,0|2,0,0]=3 4552 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [0,1,0,0,0,0|2,0,0]=3 4553 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [0,1,0,0,0,0|2,0,0]=3 4554 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [0,1,0,0,0,0|2,0,0]=3 4555 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [0,1,0,0,0,0|2,0,0]=3 4556 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [0,1,0,0,0,0|2,0,0]=3 4557 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [0,1,0,0,0,0|2,0,0]=3 4558 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [0,1,0,0,0,0|1,0,0]=2 4559 B14R0.337 CCCCCCCNC/C=C/C(=O)OC 2230a_100000229938_100000742655 [0,1,0,0,0,0|2,0,1]=4 4560 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [0,1,0,0,0,0|2,0,0]=3 4561 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [0,1,0,0,0,0|2,0,0]=3 4562 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [0,1,0,0,0,0|2,0,0]=3 4563 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [0,1,0,0,0,0|2,0,0]=3 4564 B14R0.337 CCCCCCCNCCNC(=O)CC 34a_100132302217_100000210614 [0,1,0,0,0,0|2,0,0]=3 4565 B14R0.337 CCCCCCCNCCNC(=O)NC 34a_100015205895_100000210614 [0,1,0,0,0,0|2,0,0]=3 4566 B14R0.337 CCCCCCCOC/C=C/C(=O)OC 34a_100000210272_100000742655 [0,1,0,0,0,0|2,0,1]=4 4567 B14R0.337 CCCCCCCOC/C=C/C(=O)OC 7a_100000210272_100000742655 [0,1,0,0,0,0|2,0,1]=4 4568 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [0,1,0,0,0,0|2,0,0]=3 4569 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [0,1,0,0,0,0|2,0,0]=3 4570 B14R0.337 CCCCCCCOCCCC(=O)NN 34a_100000211488_100000210614 [0,1,0,0,0,0|3,0,0]=4 4571 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [0,1,0,0,0,0|2,0,0]=3 4572 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [0,1,0,0,0,0|2,0,0]=3 4573 B14R0.337 CCCCCCCOCCNC(=O)CC 34a_200000158885_100000210614 [0,1,0,0,0,0|2,0,0]=3 4574 B14R0.337 CCCCCCCOCCNC(=O)CC 7a_200000158885_100000210614 [0,1,0,0,0,0|2,0,0]=3 4575 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [0,1,0,0,0,0|2,0,0]=3 4576 B14R0.337 CCCCCCCOCCOC(=O)CC 7a_200000031056_100000210614 [0,1,0,0,0,0|1,0,0]=2 4577 B14R0.337 CCCCCCCOCCOC(=O)NC 34a_100000210272_200011997002 [0,1,0,0,0,0|1,0,0]=2 4578 B14R0.337 CCCCCCCOCCOC(=O)NC 7a_100000210272_200011997002 [0,1,0,0,0,0|1,0,0]=2 4579 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [0,1,0,0,0,0|1,0,0]=2 4580 B14R0.337 CCCCCCCSC/C=C/C(=O)OC 62a_100000210614_100000742655 [0,1,0,0,0,0|2,0,1]=4 4581 B14R0.337 CCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210316 [0,1,0,0,0,0|2,0,1]=4 4582 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [0,1,0,0,0,0|2,0,0]=3 4583 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [0,1,0,0,0,0|2,0,0]=3 4584 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [0,1,0,0,0,0|2,0,0]=3 4585 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [0,1,0,0,0,0|2,0,0]=3 4586 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_100000210614_200011997002 [0,1,0,0,0,0|1,0,0]=2 4587 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_200011997002_100000210316 [0,1,0,0,0,0|1,0,0]=2 4588 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [0,1,0,0,0,0|2,0,0]=3 4589 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [0,1,0,0,0,0|3,0,0]=4 4590 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [0,1,0,0,0,0|2,0,0]=3 4591 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [0,1,0,0,0,0|2,0,0]=3 4592 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [0,1,0,0,0,0|2,0,0]=3 4593 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [0,1,0,0,0,0|2,0,0]=3 4594 B14R0.337 CCCCCCOCCOCC(=O)CC 7a_100000691444_100000747405 [0,1,0,0,0,0|3,0,0]=4 4595 B14R0.337 CCCCCCOCCOCC(=O)NC 34a_100000691444_100000183359 [0,1,0,0,0,0|3,0,0]=4 4596 B14R0.337 CCCCCCOCCOCC(=O)NC 7a_100000691444_100000183359 [0,1,0,0,0,0|3,0,0]=4 4597 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [0,1,0,0,0,0|3,0,0]=4 4598 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [0,1,0,0,0,0|3,0,0]=4 4599 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [0,1,0,0,0,0|3,0,0]=4 4600 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [0,1,0,0,0,0|3,0,0]=4 4601 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [0,1,0,0,0,0|2,0,0]=3 4602 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [0,1,0,0,0,0|2,0,0]=3 4603 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [0,1,0,0,0,0|3,0,0]=4 4604 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [0,1,0,0,0,0|3,0,0]=4 4605 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [0,1,0,0,0,0|2,0,0]=3 4606 B14R0.337 CCCCCNCCOCCC(=O)NC 34a_100000224656_100012179268 [0,1,0,0,0,0|3,0,0]=4 4607 B14R0.337 CCCCCNCCOCCC(=O)OC 34a_100000224656_100000742370 [0,1,0,0,0,0|3,0,0]=4 4608 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [0,1,0,0,0,0|2,0,0]=3 4609 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [0,1,0,0,0,0|2,0,0]=3 4610 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [0,1,0,0,0,0|2,0,0]=3 4611 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [0,1,0,0,0,0|2,0,0]=3 4612 B14R0.337 CCCCCOCCOCCC(=O)NC 34a_100011215259_100012179268 [0,1,0,0,0,0|3,0,0]=4 4613 B14R0.337 CCCCCOCCOCCC(=O)NC 7a_100011215259_100000737683 [0,1,0,0,0,0|3,0,0]=4 4614 B14R0.337 CCCCCOCCOCCC(=O)OC 34a_100011215259_100000742370 [0,1,0,0,0,0|3,0,0]=4 4615 B14R0.337 CCCCCOCCOCCC(=O)OC 7a_100011215259_100000204255 [0,1,0,0,0,0|3,0,0]=4 4616 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [0,1,0,0,0,0|2,0,0]=3 4617 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [0,1,0,0,0,0|2,0,0]=3 4618 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [0,1,0,0,0,0|2,0,0]=3 4619 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [0,1,0,0,0,0|2,0,0]=3 4620 B14R0.337 CCCCNCCCCOCC(=O)NC 34a_200011216965_100000183359 [0,1,0,0,0,0|3,0,0]=4 4621 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [0,1,0,0,0,0|3,0,0]=4 4622 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [0,1,0,0,0,0|2,0,0]=3 4623 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [0,1,0,0,0,0|2,0,0]=3 4624 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [0,1,0,0,0,0|2,0,0]=3 4625 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [0,1,0,0,0,0|2,0,0]=3 4626 B14R0.337 CCCCOCCCCOCC(=O)CC 7a_200000760531_100000747405 [0,1,0,0,0,0|3,0,0]=4 4627 B14R0.337 CCCCOCCCCOCC(=O)NC 34a_200000760531_100000183359 [0,1,0,0,0,0|3,0,0]=4 4628 B14R0.337 CCCCOCCCCOCC(=O)NC 7a_200000760531_100000183359 [0,1,0,0,0,0|3,0,0]=4 4629 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [0,1,0,0,0,0|3,0,0]=4 4630 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [0,1,0,0,0,0|3,0,0]=4 4631 B14R0.337 CCCCOCCCNCCC(=O)NC 2230a_200000211371_100000737683 [0,1,0,0,0,0|3,0,0]=4 4632 B14R0.337 CCCCOCCCNCCC(=O)NC 34a_200000211371_100012179268 [0,1,0,0,0,0|3,0,0]=4 4633 B14R0.337 CCCCOCCCNCCC(=O)OC 2230a_200000211371_100000204255 [0,1,0,0,0,0|3,0,0]=4 4634 B14R0.337 CCCCOCCCNCCC(=O)OC 34a_200000211371_100000742370 [0,1,0,0,0,0|3,0,0]=4 4635 B14R0.337 CCCCOCCCOCCC(=O)NC 34a_200011215613_100012179268 [0,1,0,0,0,0|3,0,0]=4 4636 B14R0.337 CCCCOCCCOCCC(=O)NC 7a_200011215613_100000737683 [0,1,0,0,0,0|3,0,0]=4 4637 B14R0.337 CCCCOCCCOCCC(=O)OC 34a_200011215613_100000742370 [0,1,0,0,0,0|3,0,0]=4 4638 B14R0.337 CCCCOCCCOCCC(=O)OC 7a_200011215613_100000204255 [0,1,0,0,0,0|3,0,0]=4 4639 B14R0.337 CCCCOCCNCCCC(=O)NC 2230a_100000740002_100000743108 [0,1,0,0,0,0|3,0,0]=4 4640 B14R0.337 CCCCOCCNCCCC(=O)NC 34a_100000740002_100000743108 [0,1,0,0,0,0|3,0,0]=4 4641 B14R0.337 CCCCOCCNCCNC(=O)CC 34a_100132302217_100000743108 [0,1,0,0,0,0|3,0,0]=4 4642 B14R0.337 CCCCOCCNCCNC(=O)NC 34a_100015205895_100000743108 [0,1,0,0,0,0|3,0,0]=4 4643 B14R0.337 CCCCOCCOCCCC(=O)NC 34a_100000210238_100000741757 [0,1,0,0,0,0|3,0,0]=4 4644 B14R0.337 CCCCOCCOCCCC(=O)NC 7a_100000210238_100000741757 [0,1,0,0,0,0|3,0,0]=4 4645 B14R0.337 CCCCOCCOCCCC(=O)OC 34a_100000210238_100000742333 [0,1,0,0,0,0|3,0,0]=4 4646 B14R0.337 CCCCOCCOCCCC(=O)OC 7a_100000210238_100011218270 [0,1,0,0,0,0|3,0,0]=4 4647 B14R0.337 CCCCOCCOCCNC(=O)CC 34a_200000158885_100000743108 [0,1,0,0,0,0|3,0,0]=4 4648 B14R0.337 CCCCOCCOCCNC(=O)CC 7a_200000158885_100000743108 [0,1,0,0,0,0|3,0,0]=4 4649 B14R0.337 CCCCOCCOCCNC(=O)OC 34a_100000757965_100000743108 [0,1,0,0,0,0|3,0,0]=4 4650 B14R0.337 CCCCOCCOCCOC(=O)CC 7a_200000031056_100000743108 [0,1,0,0,0,0|2,0,0]=3 4651 B14R0.337 CCCCOCCOCCOC(=O)NC 34a_100000210238_200011997002 [0,1,0,0,0,0|2,0,0]=3 4652 B14R0.337 CCCCOCCOCCOC(=O)NC 7a_100000210238_200011997002 [0,1,0,0,0,0|2,0,0]=3 4653 B14R0.337 CCCCOCCOCCOC(=O)OC 34a_100010262106_100000743108 [0,1,0,0,0,0|2,0,0]=3 4654 B14R0.337 CCCCOCCSCCCC(=O)NC 62a_100000741757_100000743108 [0,1,0,0,0,0|3,0,0]=4 4655 B14R0.337 CCCCOCCSCCCC(=O)NC 62a_100000743108_100000741757 [0,1,0,0,0,0|3,0,0]=4 4656 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100000743108_100011218270 [0,1,0,0,0,0|3,0,0]=4 4657 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100011218270_100000743108 [0,1,0,0,0,0|3,0,0]=4 4658 B14R0.337 CCCCOCCSCCOC(=O)NC 62a_100000743108_200011997002 [0,1,0,0,0,0|2,0,0]=3 4659 B14R0.337 CCCCOCCSCCOC(=O)NC 62a_200011997002_100000743108 [0,1,0,0,0,0|2,0,0]=3 4660 B14R0.337 CCCCOCOCCCCC(=O)OC 34a_100000059025_100011995733 [0,1,0,0,0,0|3,0,0]=4 4661 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100000204269_100011995733 [0,1,0,0,0,0|3,0,0]=4 4662 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100011995733_100000204269 [0,1,0,0,0,0|3,0,0]=4 4663 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [0,1,0,0,0,0|2,0,0]=3 4664 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [0,1,0,0,0,0|2,0,0]=3 4665 B14R0.337 CCCCSCCNCCCC(=O)NC 2230a_100025743550_100000741757 [0,1,0,0,0,0|3,0,0]=4 4666 B14R0.337 CCCCSCCNCCCC(=O)OC 2230a_100025743550_100011218270 [0,1,0,0,0,0|3,0,0]=4 4667 B14R0.337 CCCCSCCOCCCC(=O)NC 34a_200000230436_100000741757 [0,1,0,0,0,0|3,0,0]=4 4668 B14R0.337 CCCCSCCOCCCC(=O)NC 7a_200000230436_100000741757 [0,1,0,0,0,0|3,0,0]=4 4669 B14R0.337 CCCCSCCOCCCC(=O)OC 34a_200000230436_100000742333 [0,1,0,0,0,0|3,0,0]=4 4670 B14R0.337 CCCCSCCOCCCC(=O)OC 7a_200000230436_100011218270 [0,1,0,0,0,0|3,0,0]=4 4671 B14R0.337 CCCCSCCOCCOC(=O)NC 34a_200000230436_200011997002 [0,1,0,0,0,0|2,0,0]=3 4672 B14R0.337 CCCCSCCOCCOC(=O)NC 7a_200000230436_200011997002 [0,1,0,0,0,0|2,0,0]=3 4673 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [0,1,0,0,0,0|2,0,0]=3 4674 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [0,1,0,0,0,0|2,0,0]=3 4675 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [0,1,0,0,0,0|2,0,0]=3 4676 B14R0.337 CCCOCCCNCCCC(=O)NC 2230a_100011217757_100000741757 [0,1,0,0,0,0|3,0,0]=4 4677 B14R0.337 CCCOCCCNCCCC(=O)NC 34a_100011217757_100000741757 [0,1,0,0,0,0|3,0,0]=4 4678 B14R0.337 CCCOCCCNCCCC(=O)OC 2230a_100011217757_100011218270 [0,1,0,0,0,0|3,0,0]=4 4679 B14R0.337 CCCOCCCNCCCC(=O)OC 34a_100011217757_100000742333 [0,1,0,0,0,0|3,0,0]=4 4680 B14R0.337 CCCOCCCNCCOC(=O)NC 34a_100011217757_200011997002 [0,1,0,0,0,0|2,0,0]=3 4681 B14R0.337 CCCOCCNCCCCC(=O)OC 2230a_100161115042_100000204269 [0,1,0,0,0,0|3,0,0]=4 4682 B14R0.337 CCCOCCNCCCCC(=O)OC 34a_100161115042_100000204269 [0,1,0,0,0,0|3,0,0]=4 4683 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000059025_100011215938 [0,1,0,0,0,0|3,0,0]=4 4684 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000752267_100000204269 [0,1,0,0,0,0|3,0,0]=4 4685 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000059025_100011215938 [0,1,0,0,0,0|3,0,0]=4 4686 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000752267_100000204269 [0,1,0,0,0,0|3,0,0]=4 4687 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100000204269_100011215938 [0,1,0,0,0,0|3,0,0]=4 4688 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100011215938_100000204269 [0,1,0,0,0,0|3,0,0]=4 4689 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [0,1,0,0,0,0|2,0,0]=3 4690 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [0,1,0,0,0,0|2,0,0]=3 4691 B14R0.337 CCCSCCNCCCCC(=O)OC 2230a_100020603323_100000204269 [0,1,0,0,0,0|3,0,0]=4 4692 B14R0.337 CCCSCCOCCCCC(=O)OC 34a_200000230433_100000204269 [0,1,0,0,0,0|3,0,0]=4 4693 B14R0.337 CCCSCCOCCCCC(=O)OC 7a_200000230433_100000204269 [0,1,0,0,0,0|3,0,0]=4 4694 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [0,1,0,0,0,0|2,0,0]=3 4695 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [0,1,0,0,0,0|2,0,0]=3 4696 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [0,1,0,0,0,0|2,0,0]=3 4697 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [0,1,0,0,0,0|2,0,0]=3 4698 B14R0.337 CCOCCCNCCCCC(=O)OC 2230a_100000210961_100000204269 [0,1,0,0,0,0|3,0,0]=4 4699 B14R0.337 CCOCCCNCCCCC(=O)OC 34a_100000210961_100000204269 [0,1,0,0,0,0|3,0,0]=4 4700 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000059025_100012232248 [0,1,0,0,0,0|3,0,0]=4 4701 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000757476_100000204269 [0,1,0,0,0,0|3,0,0]=4 4702 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000059025_100012232248 [0,1,0,0,0,0|3,0,0]=4 4703 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000757476_100000204269 [0,1,0,0,0,0|3,0,0]=4 4704 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100000204269_100012232248 [0,1,0,0,0,0|3,0,0]=4 4705 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100012232248_100000204269 [0,1,0,0,0,0|3,0,0]=4 4706 B14R0.337 CCOCCNCCCCCC(=O)OC 2230a_102516460346_100009816466 [0,1,0,0,0,0|3,0,0]=4 4707 B14R0.337 CCOCCNCCCCCC(=O)OC 34a_102516460346_100009816466 [0,1,0,0,0,0|3,0,0]=4 4708 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000074720_100000210147 [0,1,0,0,0,0|3,0,0]=4 4709 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000210136_100009816466 [0,1,0,0,0,0|3,0,0]=4 4710 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000074720_100011215890 [0,1,0,0,0,0|3,0,0]=4 4711 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000210136_100009816466 [0,1,0,0,0,0|3,0,0]=4 4712 B14R0.337 CCOCCOCCSCOC(=O)OC 62a_100011211534_100000139417 [0,1,0,0,0,0|3,0,0]=4 4713 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100000210147_100009816466 [0,1,0,0,0,0|3,0,0]=4 4714 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100009816466_100011215890 [0,1,0,0,0,0|3,0,0]=4 4715 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100000739092_100009815986 [0,1,0,0,0,0|3,0,0]=4 4716 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100009815986_100000739092 [0,1,0,0,0,0|3,0,0]=4 4717 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [0,1,0,0,0,0|2,0,0]=3 4718 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [0,1,0,0,0,0|2,0,0]=3 4719 B14R0.337 CCSCCCOCCCCC(=O)OC 34a_100011216438_100000204269 [0,1,0,0,0,0|3,0,0]=4 4720 B14R0.337 CCSCCCOCCCCC(=O)OC 7a_100011216438_100000204269 [0,1,0,0,0,0|3,0,0]=4 4721 B14R0.337 CCSCCNCCCCCC(=O)OC 2230a_100000106463_100009816466 [0,1,0,0,0,0|3,0,0]=4 4722 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000074720_100000757381 [0,1,0,0,0,0|3,0,0]=4 4723 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000212035_100009816466 [0,1,0,0,0,0|3,0,0]=4 4724 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000074720_100000757381 [0,1,0,0,0,0|3,0,0]=4 4725 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000212035_100009816466 [0,1,0,0,0,0|3,0,0]=4 4726 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100000757381_100009816466 [0,1,0,0,0,0|3,0,0]=4 4727 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100009816466_100000757381 [0,1,0,0,0,0|3,0,0]=4 4728 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [0,1,0,0,0,0|2,0,0]=3 4729 B14R0.337 CNC(=O)CCCNCCCCCCF 2230a_100000740002_100015922095 [0,1,0,0,0,0|3,0,0]=4 4730 B14R0.337 CNC(=O)CCCNCCCCCCF 34a_100000740002_100015922095 [0,1,0,0,0,0|3,0,0]=4 4731 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000686447_100000741757 [0,1,0,0,0,0|3,0,0]=4 4732 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000740002_100000766143 [0,1,0,0,0,0|3,0,0]=4 4733 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000686447_100000741757 [0,1,0,0,0,0|3,0,0]=4 4734 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000740002_100000766143 [0,1,0,0,0,0|3,0,0]=4 4735 B14R0.337 CNC(=O)CCCNCCCCCOC 2230a_100000747528_100000741757 [0,1,0,0,0,0|3,0,0]=4 4736 B14R0.337 CNC(=O)CCCNCCCCCOC 34a_100000747528_100000741757 [0,1,0,0,0,0|3,0,0]=4 4737 B14R0.337 CNC(=O)CCCOCCCCCCBr 34a_100011215345_100000741757 [0,1,0,0,0,0|3,0,0]=4 4738 B14R0.337 CNC(=O)CCCOCCCCCCBr 7a_100011215345_100000741757 [0,1,0,0,0,0|3,0,0]=4 4739 B14R0.337 CNC(=O)CCCOCCCCCCCl 34a_100000766143_100000741757 [0,1,0,0,0,0|3,0,0]=4 4740 B14R0.337 CNC(=O)CCCOCCCCCCCl 7a_100000766143_100000741757 [0,1,0,0,0,0|3,0,0]=4 4741 B14R0.337 CNC(=O)CCCOCCCCCCF 34a_100000732779_100000741757 [0,1,0,0,0,0|3,0,0]=4 4742 B14R0.337 CNC(=O)CCCOCCCCCCF 7a_100000732779_100000741757 [0,1,0,0,0,0|3,0,0]=4 4743 B14R0.337 CNC(=O)CCCOCCCCCCN 34a_100000686447_100000741757 [0,1,0,0,0,0|3,0,0]=4 4744 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100000741757_100015922095 [0,1,0,0,0,0|3,0,0]=4 4745 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100015922095_100000741757 [0,1,0,0,0,0|3,0,0]=4 4746 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000741757_100000766143 [0,1,0,0,0,0|3,0,0]=4 4747 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000766143_100000741757 [0,1,0,0,0,0|3,0,0]=4 4748 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100000738227_100000760002 [0,1,0,0,0,0|3,0,0]=4 4749 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100011996573_100000737683 [0,1,0,0,0,0|3,0,0]=4 4750 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100000738227_100000760002 [0,1,0,0,0,0|3,0,0]=4 4751 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100011996573_100012179268 [0,1,0,0,0,0|3,0,0]=4 4752 B14R0.337 CNC(=O)CCNCCCCCCOC 2230a_100000738227_100011998445 [0,1,0,0,0,0|3,0,0]=4 4753 B14R0.337 CNC(=O)CCNCCCCCCOC 34a_100000738227_100011998445 [0,1,0,0,0,0|3,0,0]=4 4754 B14R0.337 CNC(=O)CCOCCCCCCCBr 34a_100000760002_100012179268 [0,1,0,0,0,0|3,0,0]=4 4755 B14R0.337 CNC(=O)CCOCCCCCCCBr 7a_100000760002_100000737683 [0,1,0,0,0,0|3,0,0]=4 4756 B14R0.337 CNC(=O)CCOCCCCCCCN 34a_100011996573_100012179268 [0,1,0,0,0,0|3,0,0]=4 4757 B14R0.337 CNC(=O)CCOCCCCCCCO 34a_100000754576_100000760002 [0,1,0,0,0,0|3,0,0]=4 4758 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_100000754576_100011998445 [0,1,0,0,0,0|3,0,0]=4 4759 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_200012092642_100012179268 [0,1,0,0,0,0|3,0,0]=4 4760 B14R0.337 CNC(=O)CCOCCCCCCOC 7a_200012092642_100000737683 [0,1,0,0,0,0|3,0,0]=4 4761 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000737683_100000760002 [0,1,0,0,0,0|3,0,0]=4 4762 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000760002_100000737683 [0,1,0,0,0,0|3,0,0]=4 4763 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100000737683_100011998445 [0,1,0,0,0,0|3,0,0]=4 4764 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100011998445_100000737683 [0,1,0,0,0,0|3,0,0]=4 4765 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_100000693194_100000033203 [0,1,0,0,0,0|3,0,0]=4 4766 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183359 [0,1,0,0,0,0|3,0,0]=4 4767 B14R0.337 CNC(=O)CNCCCCCCCCO 34a_102515433106_100000183359 [0,1,0,0,0,0|3,0,0]=4 4768 B14R0.337 CNC(=O)COCCCCCCCCBr 34a_100009813846_100000183359 [0,1,0,0,0,0|3,0,0]=4 4769 B14R0.337 CNC(=O)COCCCCCCCCBr 7a_100009813846_100000183359 [0,1,0,0,0,0|3,0,0]=4 4770 B14R0.337 CNC(=O)COCCCCCCCCCl 34a_100000033203_100000183359 [0,1,0,0,0,0|3,0,0]=4 4771 B14R0.337 CNC(=O)COCCCCCCCCCl 7a_100000033203_100000183359 [0,1,0,0,0,0|3,0,0]=4 4772 B14R0.337 CNC(=O)COCCCCCCCCN 34a_102515433106_100000183359 [0,1,0,0,0,0|3,0,0]=4 4773 B14R0.337 CNC(=O)COCCCCCCCCO 34a_100000750040_100000033203 [0,1,0,0,0,0|3,0,0]=4 4774 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000033203_100000183359 [0,1,0,0,0,0|3,0,0]=4 4775 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000183359_100000033203 [0,1,0,0,0,0|3,0,0]=4 4776 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100000078944_106832991635 [0,1,0,0,0,0|2,0,0]=3 4777 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100102657272_100000078944 [0,1,0,0,0,0|2,0,0]=3 4778 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100000078944_100102657272 [0,1,0,0,0,0|2,0,0]=3 4779 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100102657272_100000078944 [0,1,0,0,0,0|2,0,0]=3 4780 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_100000078944_100102657272 [0,1,0,0,0,0|2,0,0]=3 4781 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_106832991638_100000078944 [0,1,0,0,0,0|2,0,0]=3 4782 B14R0.337 CNC(=O)NCCNCCCCCCF 34a_100015205895_100015922095 [0,1,0,0,0,0|3,0,0]=4 4783 B14R0.337 CNC(=O)NCCNCCCCCCO 34a_100015205895_100000766143 [0,1,0,0,0,0|3,0,0]=4 4784 B14R0.337 CNC(=O)OCCNCCCCCCO 34a_100000686447_200011997002 [0,1,0,0,0,0|2,0,0]=3 4785 B14R0.337 CNC(=O)OCCNCCCCCOC 34a_100000747528_200011997002 [0,1,0,0,0,0|2,0,0]=3 4786 B14R0.337 CNC(=O)OCCNCCOCCOC 34a_100000745349_200011997002 [0,1,0,0,0,0|3,0,0]=4 4787 B14R0.337 CNC(=O)OCCOCCCCCCBr 34a_100011215345_200011997002 [0,1,0,0,0,0|2,0,0]=3 4788 B14R0.337 CNC(=O)OCCOCCCCCCBr 7a_100011215345_200011997002 [0,1,0,0,0,0|2,0,0]=3 4789 B14R0.337 CNC(=O)OCCOCCCCCCCl 34a_100000766143_200011997002 [0,1,0,0,0,0|2,0,0]=3 4790 B14R0.337 CNC(=O)OCCOCCCCCCCl 7a_100000766143_200011997002 [0,1,0,0,0,0|2,0,0]=3 4791 B14R0.337 CNC(=O)OCCOCCCCCCF 34a_100000732779_200011997002 [0,1,0,0,0,0|2,0,0]=3 4792 B14R0.337 CNC(=O)OCCOCCCCCCF 7a_100000732779_200011997002 [0,1,0,0,0,0|2,0,0]=3 4793 B14R0.337 CNC(=O)OCCOCCCCCCN 34a_100000686447_200011997002 [0,1,0,0,0,0|2,0,0]=3 4794 B14R0.337 CNC(=O)OCCOCCOCCOC 34a_100011215163_200011997002 [0,1,0,0,0,0|3,0,0]=4 4795 B14R0.337 CNC(=O)OCCOCCOCCOC 7a_100011215163_200011997002 [0,1,0,0,0,0|3,0,0]=4 4796 B14R0.337 CNC(=O)OCCSCCCCCC#N 62a_100009813376_200011997002 [0,1,0,0,0,0|2,0,1]=4 4797 B14R0.337 CNC(=O)OCCSCCCCCC#N 62a_200011997002_100009813376 [0,1,0,0,0,0|2,0,1]=4 4798 B14R0.337 CNC(=O)OCCSCCCCCC=O 62a_100000139337_200011997002 [0,1,0,0,0,0|2,0,1]=4 4799 B14R0.337 CNC(=O)OCCSCCCCCC=O 62a_200011997002_100000139337 [0,1,0,0,0,0|2,0,1]=4 4800 B14R0.337 CNC(=O)OCCSCCCCCCF 62a_100015922095_200011997002 [0,1,0,0,0,0|2,0,0]=3 4801 B14R0.337 CNC(=O)OCCSCCCCCCF 62a_200011997002_100015922095 [0,1,0,0,0,0|2,0,0]=3 4802 B14R0.337 CNC(=O)OCCSCCCCCCO 62a_100000766143_200011997002 [0,1,0,0,0,0|2,0,0]=3 4803 B14R0.337 CNC(=O)OCCSCCCCCCO 62a_200011997002_100000766143 [0,1,0,0,0,0|2,0,0]=3 4804 B14R0.337 CNC(=O)OCCSCCOCCOC 62a_100000695917_200011997002 [0,1,0,0,0,0|3,0,0]=4 4805 B14R0.337 CNC(=O)OCCSCCOCCOC 62a_200011997002_100000695917 [0,1,0,0,0,0|3,0,0]=4 4806 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [0,1,0,0,0,0|2,0,0]=3 4807 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [0,1,0,0,0,0|2,0,0]=3 4808 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [0,1,0,0,0,0|2,0,0]=3 4809 B14R0.337 CNCCCCCOCCCC(=O)NC 34a_100000722520_100000741757 [0,1,0,0,0,0|3,0,0]=4 4810 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [0,1,0,0,0,0|3,0,0]=4 4811 B14R0.337 CNCCCCCOCCOC(=O)NC 34a_100000722520_200011997002 [0,1,0,0,0,0|2,0,0]=3 4812 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [0,1,0,0,0,0|3,0,0]=4 4813 B14R0.337 CNCCOCCOCCOC(=O)NC 34a_100000228057_200011997002 [0,1,0,0,0,0|3,0,0]=4 4814 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [0,1,0,0,0,0|2,0,0]=3 4815 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [0,1,0,0,0,0|2,0,0]=3 4816 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [0,1,0,0,0,0|3,0,0]=4 4817 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [0,1,0,0,0,0|3,0,0]=4 4818 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [0,1,0,0,0,0|3,0,0]=4 4819 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [0,1,0,0,0,0|3,0,0]=4 4820 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [0,1,0,0,0,0|3,0,0]=4 4821 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [0,1,0,0,0,0|3,0,0]=4 4822 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [0,1,0,0,0,0|3,0,0]=4 4823 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [0,1,0,0,0,0|3,0,0]=4 4824 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [0,1,0,0,0,0|3,0,0]=4 4825 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [0,1,0,0,0,0|3,0,0]=4 4826 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [0,1,0,0,0,0|3,0,0]=4 4827 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [0,1,0,0,0,0|3,0,0]=4 4828 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [0,1,0,0,0,0|3,0,0]=4 4829 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [0,1,0,0,0,0|3,0,0]=4 4830 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [0,1,0,0,0,0|3,0,0]=4 4831 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [0,1,0,0,0,0|3,0,0]=4 4832 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [0,1,0,0,0,0|3,0,0]=4 4833 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [0,1,0,0,0,0|3,0,0]=4 4834 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [0,1,0,0,0,0|3,0,0]=4 4835 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [0,1,0,0,0,0|3,0,0]=4 4836 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [0,1,0,0,0,0|3,0,0]=4 4837 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [0,1,0,0,0,0|3,0,0]=4 4838 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [0,1,0,0,0,0|3,0,0]=4 4839 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [0,1,0,0,0,0|3,0,0]=4 4840 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [0,1,0,0,0,0|3,0,0]=4 4841 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [0,1,0,0,0,0|3,0,0]=4 4842 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [0,1,0,0,0,0|3,0,0]=4 4843 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [0,1,0,0,0,0|3,0,0]=4 4844 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [0,1,0,0,0,0|3,0,0]=4 4845 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [0,1,0,0,0,0|3,0,0]=4 4846 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [0,1,0,0,0,0|3,0,0]=4 4847 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [0,1,0,0,0,0|3,0,0]=4 4848 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [0,1,0,0,0,0|3,0,0]=4 4849 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [0,1,0,0,0,0|3,0,0]=4 4850 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [0,1,0,0,0,0|3,0,0]=4 4851 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [0,1,0,0,0,0|3,0,0]=4 4852 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [0,1,0,0,0,0|3,0,0]=4 4853 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [0,1,0,0,0,0|3,0,0]=4 4854 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [0,1,0,0,0,0|3,0,0]=4 4855 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [0,1,0,0,0,0|3,0,0]=4 4856 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [0,1,0,0,0,0|3,0,0]=4 4857 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [0,1,0,0,0,0|3,0,0]=4 4858 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [0,1,0,0,0,0|3,0,0]=4 4859 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [0,1,0,0,0,0|3,0,0]=4 4860 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [0,1,0,0,0,0|3,0,0]=4 4861 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [0,1,0,0,0,0|3,0,0]=4 4862 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [0,1,0,0,0,0|3,0,0]=4 4863 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [0,1,0,0,0,0|3,0,0]=4 4864 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [0,1,0,0,0,0|3,0,0]=4 4865 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [0,1,0,0,0,0|3,0,0]=4 4866 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [0,1,0,0,0,0|3,0,0]=4 4867 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [0,1,0,0,0,0|3,0,0]=4 4868 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [0,1,0,0,0,0|3,0,0]=4 4869 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [0,1,0,0,0,0|3,0,0]=4 4870 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [0,1,0,0,0,0|3,0,0]=4 4871 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [0,1,0,0,0,0|3,0,0]=4 4872 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [0,1,0,0,0,0|3,0,0]=4 4873 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [0,1,0,0,0,0|3,0,0]=4 4874 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [0,1,0,0,0,0|3,0,0]=4 4875 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [0,1,0,0,0,0|3,0,0]=4 4876 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [0,1,0,0,0,0|3,0,0]=4 4877 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [0,1,0,0,0,0|3,0,0]=4 4878 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [0,1,0,0,0,0|3,0,0]=4 4879 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [0,1,0,0,0,0|3,0,0]=4 4880 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [0,1,0,0,0,0|3,0,0]=4 4881 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [0,1,0,0,0,0|3,0,0]=4 4882 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [0,1,0,0,0,0|3,0,0]=4 4883 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [0,1,0,0,0,0|3,0,0]=4 4884 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [0,1,0,0,0,0|3,0,0]=4 4885 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [0,1,0,0,0,0|3,0,0]=4 4886 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [0,1,0,0,0,0|3,0,0]=4 4887 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [0,1,0,0,0,0|3,0,0]=4 4888 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [0,1,0,0,0,0|3,0,0]=4 4889 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [0,1,0,0,0,0|3,0,0]=4 4890 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [0,1,0,0,0,0|3,0,0]=4 4891 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [0,1,0,0,0,0|3,0,0]=4 4892 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [0,1,0,0,0,0|3,0,0]=4 4893 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [0,1,0,0,0,0|3,0,0]=4 4894 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [0,1,0,0,0,0|3,0,0]=4 4895 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [0,1,0,0,0,0|3,0,0]=4 4896 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [0,1,0,0,0,0|3,0,0]=4 4897 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [0,1,0,0,0,0|3,0,0]=4 4898 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [0,1,0,0,0,0|3,0,0]=4 4899 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [0,1,0,0,0,0|3,0,0]=4 4900 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [0,1,0,0,0,0|3,0,0]=4 4901 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [0,1,0,0,0,0|3,0,0]=4 4902 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [0,1,0,0,0,0|3,0,0]=4 4903 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [0,1,0,0,0,0|3,0,0]=4 4904 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [0,1,0,0,0,0|3,0,0]=4 4905 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [0,1,0,0,0,0|3,0,0]=4 4906 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [0,1,0,0,0,0|3,0,0]=4 4907 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [0,1,0,0,0,0|3,0,0]=4 4908 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [0,1,0,0,0,0|3,0,0]=4 4909 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [0,1,0,0,0,0|3,0,0]=4 4910 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [0,1,0,0,0,0|3,0,0]=4 4911 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [0,1,0,0,0,0|3,0,0]=4 4912 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [0,1,0,0,0,0|3,0,0]=4 4913 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [0,1,0,0,0,0|3,0,0]=4 4914 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [0,1,0,0,0,0|3,0,0]=4 4915 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [0,1,0,0,0,0|3,0,0]=4 4916 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [0,1,0,0,0,0|3,0,0]=4 4917 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [0,1,0,0,0,0|3,0,0]=4 4918 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [0,1,0,0,0,0|3,0,0]=4 4919 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [0,1,0,0,0,0|3,0,0]=4 4920 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [0,1,0,0,0,0|3,0,0]=4 4921 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [0,1,0,0,0,0|3,0,0]=4 4922 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [0,1,0,0,0,0|3,0,0]=4 4923 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [0,1,0,0,0,0|3,0,0]=4 4924 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [0,1,0,0,0,0|3,0,0]=4 4925 B14R0.337 COC(=O)NCCOCCCCCCF 34a_100000757965_100015922095 [0,1,0,0,0,0|3,0,0]=4 4926 B14R0.337 COC(=O)NCCOCCCCCCO 34a_100000757965_100000766143 [0,1,0,0,0,0|3,0,0]=4 4927 B14R0.337 COC(=O)OCCOCCCCCCF 34a_100010262106_100015922095 [0,1,0,0,0,0|2,0,0]=3 4928 B14R0.337 COC(=O)OCCOCCCCCCO 34a_100010262106_100000766143 [0,1,0,0,0,0|2,0,0]=3 4929 B14R0.337 COC(=O)OCSCCCCCCC#N 62a_100009813337_100000139417 [0,1,0,0,0,0|2,0,1]=4 4930 B14R0.337 COC(=O)OCSCCCCCCCO 62a_100000760002_100000139417 [0,1,0,0,0,0|2,0,0]=3 4931 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [0,1,0,0,0,0|2,0,0]=3 4932 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [0,1,0,0,0,0|3,0,0]=4 4933 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [0,1,0,0,0,0|3,0,0]=4 4934 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [0,1,0,0,0,0|3,0,0]=4 4935 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [0,1,0,0,0,0|3,0,0]=4 4936 B14R0.337 COCCCCCCSCOC(=O)OC 62a_100011998445_100000139417 [0,1,0,0,0,0|2,0,0]=3 4937 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [0,1,0,0,0,0|3,0,0]=4 4938 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [0,1,0,0,0,0|3,0,0]=4 4939 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [0,1,0,0,0,0|3,0,0]=4 4940 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [0,1,0,0,0,0|3,0,0]=4 4941 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [0,1,0,0,0,0|3,0,0]=4 4942 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [0,1,0,0,0,0|3,0,0]=4 4943 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [0,1,0,0,0,0|3,0,0]=4 4944 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [0,1,0,0,0,0|3,0,0]=4 4945 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [0,1,0,0,0,0|3,0,0]=4 4946 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [0,1,0,0,0,0|3,0,0]=4 4947 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [0,1,0,0,0,0|3,0,0]=4 4948 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [0,1,0,0,0,0|3,0,0]=4 4949 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [0,1,0,0,0,0|3,0,0]=4 4950 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [0,1,0,0,0,0|3,0,0]=4 4951 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [0,1,0,0,0,0|3,0,0]=4 4952 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [0,1,0,0,0,0|3,0,0]=4 4953 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [0,1,0,0,0,0|3,0,0]=4 4954 B14R0.337 COCCOCCCSCOC(=O)OC 62a_100011216529_100000139417 [0,1,0,0,0,0|3,0,0]=4 4955 B14R0.337 COCCOCCOCCOC(=O)OC 34a_100010262106_100000695917 [0,1,0,0,0,0|3,0,0]=4 4956 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [0,1,0,0,0,0|3,0,0]=4 4957 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [0,1,0,0,0,0|3,0,0]=4 4958 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [0,1,0,0,0,0|3,0,0]=4 4959 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [0,1,0,0,0,0|3,0,0]=4 4960 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [0,1,0,0,0,0|2,0,0]=3 4961 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [0,1,0,0,0,0|2,0,0]=3 4962 B14R0.340 C=C(C)C(=O)CCCCCCCCCC 1458a_100000185857_100000210319 [0,1,0,0,0,0|2,0,0]=3 4963 B14R0.340 C=C(C)C(=O)CCCCCCCCCO 1458a_100000185857_100009813782 [0,1,0,0,0,0|3,0,0]=4 4964 B14R0.340 C=C(C)C(=O)NCCCCCCCCC 11a_100000212291_100000185857 [0,1,0,0,0,0|3,0,0]=4 4965 B14R0.340 C=C(C)C(=O)NCCCCCCCCC 1626a_100000212291_100000185857 [0,1,0,0,0,0|3,0,0]=4 4966 B14R0.340 C=C(C)C(C)NCCCCCCCCC 269862a_100000212291_100011216138 [0,1,0,0,0,0|3,0,0]=4 4967 B14R0.340 CC(=O)C(=O)CNCCCCCCCO 34a_100011996573_100011261029 [0,1,0,0,0,0|3,0,0]=4 4968 B14R0.340 CC(=O)C(=O)COCCCCCCCBr 34a_100000760002_100011261029 [0,1,0,0,0,0|3,0,0]=4 4969 B14R0.340 CC(=O)C(=O)COCCCCCCCN 34a_100011996573_100011261029 [0,1,0,0,0,0|3,0,0]=4 4970 B14R0.340 CC(=O)C(=O)CSCCCCCCCO 62a_100000760002_100011261029 [0,1,0,0,0,0|3,0,0]=4 4971 B14R0.340 CC(=O)C(=O)CSCCCCCCCO 62a_100011261029_100000760002 [0,1,0,0,0,0|3,0,0]=4 4972 B14R0.340 CC(=O)C(C)COCCCCCCCO 34a_100000032740_100000760002 [0,1,0,0,0,0|3,0,0]=4 4973 B14R0.340 CC(=O)C(C)COCCCCCCCO 7a_100000032740_100000760002 [0,1,0,0,0,0|3,0,0]=4 4974 B14R0.340 CC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100009814033 [0,1,0,0,0,0|3,0,0]=4 4975 B14R0.340 CC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000179758 [0,1,0,0,0,0|3,0,0]=4 4976 B14R0.340 CC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000179758 [0,1,0,0,0,0|3,0,0]=4 4977 B14R0.340 CC(=O)C(C)OCCCCCCCCO 34a_100000212229_100000033203 [0,1,0,0,0,0|3,0,0]=4 4978 B14R0.340 CC(=O)C(C)SCCCCCCCCO 62a_100000033203_100009814033 [0,1,0,0,0,0|3,0,0]=4 4979 B14R0.340 CC(=O)C(C)SCCCCCCCCO 62a_100009814033_100000033203 [0,1,0,0,0,0|3,0,0]=4 4980 B14R0.340 CCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210319 [0,1,0,0,0,0|2,0,1]=4 4981 B14R0.340 CCCCCCCCCCC(=O)C(C)C 1458a_100000210375_100000210206 [0,1,0,0,0,0|2,0,1]=4 4982 B14R0.340 CCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210319 [0,1,0,0,0,0|2,0,1]=4 4983 B14R0.340 CCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210375 [0,1,0,0,0,0|3,0,0]=4 4984 B14R0.340 CCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210375 [0,1,0,0,0,0|3,0,0]=4 4985 B14R0.340 CCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210375 [0,1,0,0,0,0|3,0,0]=4 4986 B14R0.340 CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210319 [0,1,0,0,0,0|1,0,2]=4 4987 B14R0.340 CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210319 [0,1,0,0,0,0|1,0,2]=4 4988 B14R0.340 CCCCCCCCCCC(C)N(C)C 270004a_100102631434_200011219864 [0,1,0,0,0,0|3,0,0]=4 4989 B14R0.340 CCCCCCCCCCN(C)C(=O)C 11a_100000207566_100015343762 [0,1,0,0,0,0|1,0,0]=2 4990 B14R0.340 CCCCCCCCCCN(C)C(=O)C 1626a_100000207566_100015343762 [0,1,0,0,0,0|1,0,0]=2 4991 B14R0.340 CCCCCCCCCCN(C)C(=O)C 240690a_100000207566_100015343762 [0,1,0,0,0,0|1,0,0]=2 4992 B14R0.340 CCCCCCCCCCN(C)C(=O)C 527a_100000207566_100103153847 [0,1,0,0,0,0|1,0,0]=2 4993 B14R0.340 CCCCCCCCCCN(C)C(C)C 2230a_100000207566_100000210206 [0,1,0,0,0,0|2,0,1]=4 4994 B14R0.340 CCCCCCCCCCN(C)C(C)C 269982a_100000207566_100000210206 [0,1,0,0,0,0|2,0,1]=4 4995 B14R0.340 CCCCCCCCCCN(C)C(C)C 269982a_200000211004_100000210320 [0,1,0,0,0,0|2,0,1]=4 4996 B14R0.340 CCCCCCCCCNC(=O)C(=O)N 240690a_100000212291_100011215815 [0,1,0,0,0,0|3,0,0]=4 4997 B14R0.340 CCCCCCCCCNC(C)C(=O)C 2230a_100000212291_100009814033 [0,1,0,0,0,0|2,0,0]=3 4998 B14R0.340 CCCCCCCCCNC(C)C(=O)N 2230a_100000212291_100000702099 [0,1,0,0,0,0|3,0,0]=4 4999 B14R0.340 CCCCCCCCCNC(C)C(=O)N 34a_100000212291_100000702099 [0,1,0,0,0,0|3,0,0]=4 5000 B14R0.340 CCCCCCCCCNC(F)C(=O)N 2230a_100000212291_100009813875 [0,1,0,0,0,0|3,0,0]=4 5001 B14R0.340 CCCCCCCCCNC(F)C(=O)N 34a_100000212291_100009813875 [0,1,0,0,0,0|3,0,0]=4 5002 B14R0.340 CCCCCCCCCNC(F)C(=O)[O-] 34a_100000212291_100020610796 [0,1,0,0,0,0|3,0,0]=4 5003 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [0,1,0,0,0,0|3,0,0]=4 5004 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011214924 [0,1,0,0,0,0|3,0,0]=4 5005 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011214924 [0,1,0,0,0,0|3,0,0]=4 5006 B14R0.340 CCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011214924 [0,1,0,0,0,0|2,0,0]=3 5007 B14R0.340 CCCCCCCCCOC(C)C(=O)C 7a_100000210712_100000179758 [0,1,0,0,0,0|2,0,0]=3 5008 B14R0.340 CCCCCCCCCOC(C)C(=O)N 34a_100000210712_100000702099 [0,1,0,0,0,0|3,0,0]=4 5009 B14R0.340 CCCCCCCCCOC(C)C(=O)N 7a_100000210712_100000702099 [0,1,0,0,0,0|3,0,0]=4 5010 B14R0.340 CCCCCCCCCOC(F)C(=O)N 34a_100000210712_100009813875 [0,1,0,0,0,0|3,0,0]=4 5011 B14R0.340 CCCCCCCCCOC(F)C(=O)N 7a_100000210712_100009813875 [0,1,0,0,0,0|3,0,0]=4 5012 B14R0.340 CCCCCCCCCOC(F)C(=O)[O-] 34a_100000210712_100020610796 [0,1,0,0,0,0|3,0,0]=4 5013 B14R0.340 CCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210328 [0,1,0,0,0,0|3,0,0]=4 5014 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011214924 [0,1,0,0,0,0|3,0,0]=4 5015 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210328 [0,1,0,0,0,0|3,0,0]=4 5016 B14R0.340 CCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210670 [0,1,0,0,0,0|2,0,0]=3 5017 B14R0.340 CCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210670 [0,1,0,0,0,0|3,0,0]=4 5018 B14R0.340 CCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210670 [0,1,0,0,0,0|3,0,0]=4 5019 B14R0.340 CCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210670 [0,1,0,0,0,0|3,0,0]=4 5020 B14R0.340 CCCCCCCCNCC(=O)C(=O)C 34a_100000229939_100011261029 [0,1,0,0,0,0|2,0,0]=3 5021 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [0,1,0,0,0,0|3,0,0]=4 5022 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [0,1,0,0,0,0|3,0,0]=4 5023 B14R0.340 CCCCCCCCOCC(=O)C(=O)C 34a_100000210232_100011261029 [0,1,0,0,0,0|2,0,0]=3 5024 B14R0.340 CCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210759 [0,1,0,0,0,0|2,0,0]=3 5025 B14R0.340 CCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210759 [0,1,0,0,0,0|2,0,0]=3 5026 B14R0.340 CCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210759 [0,1,0,0,0,0|3,0,0]=4 5027 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100000210759_100011261029 [0,1,0,0,0,0|2,0,0]=3 5028 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210317 [0,1,0,0,0,0|2,0,0]=3 5029 B14R0.340 CCCCCCOCCOC(C)C(=O)C 7a_100000691444_100000179758 [0,1,0,0,0,0|3,0,0]=4 5030 B14R0.340 CCCCCNCCOCC(=O)C(=O)C 34a_100000224656_100011261029 [0,1,0,0,0,0|3,0,0]=4 5031 B14R0.340 CCCCCOCCOCC(=O)C(=O)C 34a_100011215259_100011261029 [0,1,0,0,0,0|3,0,0]=4 5032 B14R0.340 CCCCOCCCCOC(C)C(=O)C 7a_200000760531_100000179758 [0,1,0,0,0,0|3,0,0]=4 5033 B14R0.340 CCCCOCCCNCC(=O)C(=O)C 34a_200000211371_100011261029 [0,1,0,0,0,0|3,0,0]=4 5034 B14R0.340 CCCCOCCCOCC(=O)C(=O)C 34a_200011215613_100011261029 [0,1,0,0,0,0|3,0,0]=4 5035 B14R0.340 COCCCCCCOCC(=O)C(=O)C 34a_200012092642_100011261029 [0,1,0,0,0,0|3,0,0]=4 5036 B14R0.340 COCCCCCCOCC(C)C(=O)C 34a_100000032740_100011998445 [0,1,0,0,0,0|3,0,0]=4 5037 B14R0.340 COCCCCCCOCC(C)C(=O)C 7a_100000032740_100011998445 [0,1,0,0,0,0|3,0,0]=4 5038 B14R0.340 COCCCCCCSCC(=O)C(=O)C 62a_100011261029_100011998445 [0,1,0,0,0,0|3,0,0]=4 5039 B14R0.340 COCCCCCCSCC(=O)C(=O)C 62a_100011998445_100011261029 [0,1,0,0,0,0|3,0,0]=4 5040 B14R0.344 C#CCCCCCCC(=O)COC(=O)C 1458a_100000183556_100012276617 [0,1,0,0,0,0|0,0,3]=4 5041 B14R0.344 C#CCCCCNCC(O)COC(=O)C 34a_100000706060_200000139349 [0,1,0,0,0,0|1,0,2]=4 5042 B14R0.344 C#CCCCCOCC(O)COC(=O)C 34a_100000766709_200000139349 [0,1,0,0,0,0|1,0,2]=4 5043 B14R0.344 C#CCCCCOCC(O)COC(=O)C 7a_100000766709_200000139349 [0,1,0,0,0,0|1,0,2]=4 5044 B14R0.344 C#CCCCCSCC(O)COC(=O)C 62a_100010269958_200000139349 [0,1,0,0,0,0|1,0,2]=4 5045 B14R0.344 C#CCCCCSCC(O)COC(=O)C 62a_200000139349_100010269958 [0,1,0,0,0,0|1,0,2]=4 5046 B14R0.344 C=C(C)CCC(=O)CCCCCCCC 1458a_100000210188_100000730704 [0,1,0,0,0,0|2,0,1]=4 5047 B14R0.344 C=C(C)CCC(=O)CCCCCCCC 1458a_200000688413_100000210759 [0,1,0,0,0,0|2,0,1]=4 5048 B14R0.344 C=C(C)CCC(C)NCCCCCCC 270004a_100000229938_100011215600 [0,1,0,0,0,0|3,0,0]=4 5049 B14R0.344 C=C(C)CCN(C)CCCCCCCC 2230a_100000207567_100000730704 [0,1,0,0,0,0|3,0,0]=4 5050 B14R0.344 C=C(C)CCN(C)CCCCCCCC 269982a_100000207567_100000730704 [0,1,0,0,0,0|3,0,0]=4 5051 B14R0.344 C=C(C)COC(C)CCCCCCCC 34a_100000210740_100000748629 [0,1,0,0,0,0|3,0,0]=4 5052 B14R0.344 C=C(C)COC(C)CCCCCCCC 7a_100000210740_100000748629 [0,1,0,0,0,0|3,0,0]=4 5053 B14R0.344 C=CCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011215473 [0,1,0,0,0,0|0,0,3]=4 5054 B14R0.344 C=CCCCCNCC(O)COC(=O)C 34a_100000703577_200000139349 [0,1,0,0,0,0|1,0,2]=4 5055 B14R0.344 C=CCCCCOCC(O)COC(=O)C 34a_100000766645_200000139349 [0,1,0,0,0,0|1,0,2]=4 5056 B14R0.344 C=CCCCCOCC(O)COC(=O)C 7a_100000766645_200000139349 [0,1,0,0,0,0|1,0,2]=4 5057 B14R0.344 C=CCCCCSCC(O)COC(=O)C 62a_100011215482_200000139349 [0,1,0,0,0,0|1,0,2]=4 5058 B14R0.344 C=CCCCCSCC(O)COC(=O)C 62a_200000139349_100011215482 [0,1,0,0,0,0|1,0,2]=4 5059 B14R0.344 CC(=O)NCC(=O)CCCCCCCO 1458a_100000194580_100000760002 [0,1,0,0,0,0|2,0,1]=4 5060 B14R0.344 CC(=O)OCC(=O)CCCCCCC#N 1458a_100000183556_100009813337 [0,1,0,0,0,0|1,0,2]=4 5061 B14R0.344 CC(=O)OCC(=O)CCCCCCCO 1458a_100000183556_100000760002 [0,1,0,0,0,0|1,0,1]=3 5062 B14R0.344 CC(=O)OCC(=O)CNCCCCCO 34a_100000762737_100000036994 [0,1,0,0,0,0|2,0,1]=4 5063 B14R0.344 CC(=O)OCC(=O)COCCCCCBr 34a_100000746331_100000036994 [0,1,0,0,0,0|2,0,1]=4 5064 B14R0.344 CC(=O)OCC(=O)COCCCCCCl 34a_100000746330_100000036994 [0,1,0,0,0,0|2,0,1]=4 5065 B14R0.344 CC(=O)OCC(=O)COCCCCCI 34a_200012148887_100000036994 [0,1,0,0,0,0|2,0,1]=4 5066 B14R0.344 CC(=O)OCC(=O)COCCCCCN 34a_100000762737_100000036994 [0,1,0,0,0,0|2,0,1]=4 5067 B14R0.344 CC(=O)OCC(=O)CSCCCCCF 62a_100000036994_100000729378 [0,1,0,0,0,0|2,0,1]=4 5068 B14R0.344 CC(=O)OCC(=O)CSCCCCCF 62a_100000729378_100000036994 [0,1,0,0,0,0|2,0,1]=4 5069 B14R0.344 CC(=O)OCC(=O)CSCCCCCO 62a_100000036994_100000746330 [0,1,0,0,0,0|2,0,1]=4 5070 B14R0.344 CC(=O)OCC(=O)CSCCCCCO 62a_100000746330_100000036994 [0,1,0,0,0,0|2,0,1]=4 5071 B14R0.344 CC(=O)OCC(=O)NCCCCCCO 240690a_100000686447_100000183556 [0,1,0,0,0,0|2,0,1]=4 5072 B14R0.344 CC(=O)OCC(=O)NCCCCCCO 527a_100000686447_100000183556 [0,1,0,0,0,0|2,0,1]=4 5073 B14R0.344 CC(=O)OCC(C)NCCCCCC#N 270004a_100000061152_100000000629 [0,1,0,0,0,0|2,0,1]=4 5074 B14R0.344 CC(=O)OCC(C)NCCCCCCO 270004a_100000686447_100000000629 [0,1,0,0,0,0|2,0,0]=3 5075 B14R0.344 CC(=O)OCC(O)CNCCCCCO 34a_100000762737_200000139349 [0,1,0,0,0,0|2,0,0]=3 5076 B14R0.344 CC(=O)OCC(O)CNCCOCCO 34a_100000211614_200000139349 [0,1,0,0,0,0|3,0,0]=4 5077 B14R0.344 CC(=O)OCC(O)COCCCCCBr 34a_100000746331_200000139349 [0,1,0,0,0,0|2,0,0]=3 5078 B14R0.344 CC(=O)OCC(O)COCCCCCBr 7a_100000746331_200000139349 [0,1,0,0,0,0|2,0,0]=3 5079 B14R0.344 CC(=O)OCC(O)COCCCCCCl 34a_100000746330_200000139349 [0,1,0,0,0,0|2,0,0]=3 5080 B14R0.344 CC(=O)OCC(O)COCCCCCCl 7a_100000746330_200000139349 [0,1,0,0,0,0|2,0,0]=3 5081 B14R0.344 CC(=O)OCC(O)COCCCCCI 34a_200012148887_200000139349 [0,1,0,0,0,0|2,0,0]=3 5082 B14R0.344 CC(=O)OCC(O)COCCCCCI 7a_200012148887_200000139349 [0,1,0,0,0,0|2,0,0]=3 5083 B14R0.344 CC(=O)OCC(O)COCCCCCN 34a_100000762737_200000139349 [0,1,0,0,0,0|2,0,0]=3 5084 B14R0.344 CC(=O)OCC(O)COCCOCCBr 34a_100000692535_200000139349 [0,1,0,0,0,0|3,0,0]=4 5085 B14R0.344 CC(=O)OCC(O)COCCOCCBr 7a_100000692535_200000139349 [0,1,0,0,0,0|3,0,0]=4 5086 B14R0.344 CC(=O)OCC(O)COCCOCCCl 34a_100011215305_200000139349 [0,1,0,0,0,0|3,0,0]=4 5087 B14R0.344 CC(=O)OCC(O)COCCOCCCl 7a_100011215305_200000139349 [0,1,0,0,0,0|3,0,0]=4 5088 B14R0.344 CC(=O)OCC(O)COCCOCCF 34a_200015357709_200000139349 [0,1,0,0,0,0|3,0,0]=4 5089 B14R0.344 CC(=O)OCC(O)COCCOCCF 7a_200015357709_200000139349 [0,1,0,0,0,0|3,0,0]=4 5090 B14R0.344 CC(=O)OCC(O)COCCOCCI 34a_100012149058_200000139349 [0,1,0,0,0,0|3,0,0]=4 5091 B14R0.344 CC(=O)OCC(O)COCCOCCI 7a_100012149058_200000139349 [0,1,0,0,0,0|3,0,0]=4 5092 B14R0.344 CC(=O)OCC(O)COCCOCCN 34a_100000211614_200000139349 [0,1,0,0,0,0|3,0,0]=4 5093 B14R0.344 CC(=O)OCC(O)CSCCCCC#N 62a_100011219923_200000139349 [0,1,0,0,0,0|2,0,1]=4 5094 B14R0.344 CC(=O)OCC(O)CSCCCCC#N 62a_200000139349_100000211819 [0,1,0,0,0,0|2,0,1]=4 5095 B14R0.344 CC(=O)OCC(O)CSCCCCC=O 62a_100000139335_200000139349 [0,1,0,0,0,0|2,0,1]=4 5096 B14R0.344 CC(=O)OCC(O)CSCCCCC=O 62a_200000139349_100000139335 [0,1,0,0,0,0|2,0,1]=4 5097 B14R0.344 CC(=O)OCC(O)CSCCCCCF 62a_100000729378_200000139349 [0,1,0,0,0,0|2,0,0]=3 5098 B14R0.344 CC(=O)OCC(O)CSCCCCCF 62a_200000139349_100000729378 [0,1,0,0,0,0|2,0,0]=3 5099 B14R0.344 CC(=O)OCC(O)CSCCCCCO 62a_100000746330_200000139349 [0,1,0,0,0,0|2,0,0]=3 5100 B14R0.344 CC(=O)OCC(O)CSCCCCCO 62a_200000139349_100000746330 [0,1,0,0,0,0|2,0,0]=3 5101 B14R0.344 CC(=O)OCC(O)CSCCOCCO 62a_100011215305_200000139349 [0,1,0,0,0,0|3,0,0]=4 5102 B14R0.344 CC(=O)OCC(O)CSCCOCCO 62a_200000139349_100011215305 [0,1,0,0,0,0|3,0,0]=4 5103 B14R0.344 CC(=O)SCC(=O)CCCCCCCO 1458a_100000049016_100000760002 [0,1,0,0,0,0|1,1,1]=4 5104 B14R0.344 CC(=O)SCC(C)CNCCCCCO 2230a_100000762737_200000116872 [0,1,0,0,0,0|2,1,0]=4 5105 B14R0.344 CC(=O)SCC(C)CNCCCCCO 34a_100000762737_200000116872 [0,1,0,0,0,0|2,1,0]=4 5106 B14R0.344 CC(=O)SCC(C)COCCCCCBr 34a_100000746331_200000116872 [0,1,0,0,0,0|2,1,0]=4 5107 B14R0.344 CC(=O)SCC(C)COCCCCCBr 7a_100000746331_200000116872 [0,1,0,0,0,0|2,1,0]=4 5108 B14R0.344 CC(=O)SCC(C)COCCCCCCl 34a_100000746330_200000116872 [0,1,0,0,0,0|2,1,0]=4 5109 B14R0.344 CC(=O)SCC(C)COCCCCCCl 7a_100000746330_200000116872 [0,1,0,0,0,0|2,1,0]=4 5110 B14R0.344 CC(=O)SCC(C)COCCCCCI 34a_200012148887_200000116872 [0,1,0,0,0,0|2,1,0]=4 5111 B14R0.344 CC(=O)SCC(C)COCCCCCI 7a_200012148887_200000116872 [0,1,0,0,0,0|2,1,0]=4 5112 B14R0.344 CC(=O)SCC(C)COCCCCCN 34a_100000762737_200000116872 [0,1,0,0,0,0|2,1,0]=4 5113 B14R0.344 CC(=O)SCC(C)CSCCCCCF 62a_100000729378_200000116872 [0,1,0,0,0,0|2,1,0]=4 5114 B14R0.344 CC(=O)SCC(C)CSCCCCCF 62a_200000116872_100000729378 [0,1,0,0,0,0|2,1,0]=4 5115 B14R0.344 CC(=O)SCC(C)CSCCCCCO 62a_100000746330_200000116872 [0,1,0,0,0,0|2,1,0]=4 5116 B14R0.344 CC(=O)SCC(C)CSCCCCCO 62a_200000116872_100000746330 [0,1,0,0,0,0|2,1,0]=4 5117 B14R0.344 CC/C=C\CCOCC(O)COC(=O)C 34a_100016288707_200000139349 [0,1,0,0,0,0|1,0,2]=4 5118 B14R0.344 CC/C=C\CCOCC(O)COC(=O)C 7a_100016288707_200000139349 [0,1,0,0,0,0|1,0,2]=4 5119 B14R0.344 CC/C=C\CCSCC(O)COC(=O)C 62a_100015370543_200000139349 [0,1,0,0,0,0|1,0,2]=4 5120 B14R0.344 CC/C=C\CCSCC(O)COC(=O)C 62a_200000139349_100015370543 [0,1,0,0,0,0|1,0,2]=4 5121 B14R0.344 CC=CCCCOCC(O)COC(=O)C 34a_100020645299_200000139349 [0,1,0,0,0,0|1,0,2]=4 5122 B14R0.344 CCC#CCCOCC(O)COC(=O)C 34a_100000036655_200000139349 [0,1,0,0,0,0|1,0,2]=4 5123 B14R0.344 CCC#CCCOCC(O)COC(=O)C 7a_100000036655_200000139349 [0,1,0,0,0,0|1,0,2]=4 5124 B14R0.344 CCC/C=C/COCC(O)COC(=O)C 34a_100016278788_200000139349 [0,1,0,0,0,0|1,0,2]=4 5125 B14R0.344 CCC/C=C/COCC(O)COC(=O)C 7a_100016278788_200000139349 [0,1,0,0,0,0|1,0,2]=4 5126 B14R0.344 CCCC#CCOCC(O)COC(=O)C 34a_100000034806_200000139349 [0,1,0,0,0,0|1,0,2]=4 5127 B14R0.344 CCCC#CCOCC(O)COC(=O)C 7a_100000034806_200000139349 [0,1,0,0,0,0|1,0,2]=4 5128 B14R0.344 CCCCCC#CCC(=O)COC(=O)C 1458a_100000183556_100009816472 [0,1,0,0,0,0|0,0,3]=4 5129 B14R0.344 CCCCCCCCC(=NNC(=O)C)C 4a_100000189765_100011216694 [0,1,0,0,0,0|2,0,1]=4 5130 B14R0.344 CCCCCCCCC(=O)CC=C(C)C 1458a_100000210188_100000761012 [0,1,0,0,0,0|2,0,1]=4 5131 B14R0.344 CCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210759 [0,1,0,0,0,0|2,0,1]=4 5132 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [0,1,0,0,0,0|2,0,1]=4 5133 B14R0.344 CCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210759 [0,1,0,0,0,0|1,0,1]=3 5134 B14R0.344 CCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210759 [0,1,0,0,0,0|2,0,1]=4 5135 B14R0.344 CCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210759 [0,1,0,0,0,0|0,0,1]=2 5136 B14R0.344 CCCCCCCCC(=O)COC(C)C 1458a_100000745533_100000210759 [0,1,0,0,0,0|1,0,2]=4 5137 B14R0.344 CCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210759 [0,1,0,0,0,0|0,1,1]=3 5138 B14R0.344 CCCCCCCCC(=O)NNC(=O)C 22a_100000189765_100000210188 [0,1,0,0,0,0|2,0,1]=4 5139 B14R0.344 CCCCCCCCC(C)COC(C)C 34a_200012125181_100000210206 [0,1,0,0,0,0|1,0,1]=3 5140 B14R0.344 CCCCCCCCC(C)COC(C)C 7a_200012125181_100000210206 [0,1,0,0,0,0|1,0,1]=3 5141 B14R0.344 CCCCCCCCC(C)OCC(=O)N 34a_100000210740_100000187820 [0,1,0,0,0,0|3,0,0]=4 5142 B14R0.344 CCCCCCCCC(C)OCC(=O)N 7a_100000210740_100000187820 [0,1,0,0,0,0|3,0,0]=4 5143 B14R0.344 CCCCCCCCC(C)OCC(=O)[O-] 34a_100000210740_100020667443 [0,1,0,0,0,0|3,0,0]=4 5144 B14R0.344 CCCCCCCCN(C)CC=C(C)C 2230a_100000207567_100000761012 [0,1,0,0,0,0|3,0,0]=4 5145 B14R0.344 CCCCCCCCN(C)CC=C(C)C 269982a_100000207567_100000761012 [0,1,0,0,0,0|3,0,0]=4 5146 B14R0.344 CCCCCCCCN(C)CCC(=O)C 269982a_100000207567_100000053229 [0,1,0,0,0,0|2,0,0]=3 5147 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000207567_100000744528 [0,1,0,0,0,0|3,0,0]=4 5148 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210759 [0,1,0,0,0,0|3,0,0]=4 5149 B14R0.344 CCCCCCCCN(C)CCC(=O)N 269982a_100000207567_100000744528 [0,1,0,0,0,0|3,0,0]=4 5150 B14R0.344 CCCCCCCCN(C)COC(=O)C 269982a_100000207567_100000076356 [0,1,0,0,0,0|1,0,0]=2 5151 B14R0.344 CCCCCCCCN(C)COC(C)C 2230a_100000207567_100000709892 [0,1,0,0,0,0|2,0,1]=4 5152 B14R0.344 CCCCCCCCN(C)COC(C)C 269982a_100000207567_100000709892 [0,1,0,0,0,0|2,0,1]=4 5153 B14R0.344 CCCCCCCNC(=O)CNC(=O)C 11a_100000229938_100000194580 [0,1,0,0,0,0|2,0,1]=4 5154 B14R0.344 CCCCCCCNC(=O)CNC(=O)C 1626a_100000229938_100000194580 [0,1,0,0,0,0|2,0,1]=4 5155 B14R0.344 CCCCCCCNC(=O)CNC(=O)C 240690a_100000229938_100000194580 [0,1,0,0,0,0|2,0,1]=4 5156 B14R0.344 CCCCCCCNC(=O)CNC(=O)C 527a_100000229938_100000194580 [0,1,0,0,0,0|2,0,1]=4 5157 B14R0.344 CCCCCCCNC(=O)COC(=O)C 1626a_100000229938_100000183556 [0,1,0,0,0,0|1,0,1]=3 5158 B14R0.344 CCCCCCCNC(=O)COC(=O)C 240690a_100000229938_100000183556 [0,1,0,0,0,0|1,0,1]=3 5159 B14R0.344 CCCCCCCNC(=O)COC(=O)C 527a_100000229938_100000183556 [0,1,0,0,0,0|1,0,1]=3 5160 B14R0.344 CCCCCCCNC(=O)CSC(=O)C 11a_100000229938_100000049016 [0,1,0,0,0,0|1,1,1]=4 5161 B14R0.344 CCCCCCCNC(=O)CSC(=O)C 1626a_100000229938_100000049016 [0,1,0,0,0,0|1,1,1]=4 5162 B14R0.344 CCCCCCCNC(=O)CSC(=O)C 240690a_100000229938_100000049016 [0,1,0,0,0,0|1,1,1]=4 5163 B14R0.344 CCCCCCCNC(C)COC(=O)C 270004a_100000229938_100000000629 [0,1,0,0,0,0|1,0,0]=2 5164 B14R0.344 CCCCCCNCC(C)CSC(=O)C 2230a_100000210581_200000116872 [0,1,0,0,0,0|1,1,0]=3 5165 B14R0.344 CCCCCCOCC(=O)COC(=O)C 34a_100000210259_100000036994 [0,1,0,0,0,0|1,0,1]=3 5166 B14R0.344 CCCCCCOCC(C)CSC(=O)C 34a_100000210259_200000116872 [0,1,0,0,0,0|1,1,0]=3 5167 B14R0.344 CCCCCCOCC(C)CSC(=O)C 7a_100000210259_200000116872 [0,1,0,0,0,0|1,1,0]=3 5168 B14R0.344 CCCCCCOCC(O)COC(=O)C 34a_100000210259_200000139349 [0,1,0,0,0,0|1,0,0]=2 5169 B14R0.344 CCCCCCOCC(O)COC(=O)C 7a_100000210259_200000139349 [0,1,0,0,0,0|1,0,0]=2 5170 B14R0.344 CCCCCCSCC(=O)COC(=O)C 62a_100000036994_100000210757 [0,1,0,0,0,0|1,0,1]=3 5171 B14R0.344 CCCCCCSCC(=O)COC(=O)C 62a_100000210314_100000036994 [0,1,0,0,0,0|1,0,1]=3 5172 B14R0.344 CCCCCCSCC(C)CSC(=O)C 62a_100000210314_200000116872 [0,1,0,0,0,0|1,1,0]=3 5173 B14R0.344 CCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210757 [0,1,0,0,0,0|1,1,0]=3 5174 B14R0.344 CCCCCCSCC(O)COC(=O)C 62a_100000210314_200000139349 [0,1,0,0,0,0|1,0,0]=2 5175 B14R0.344 CCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210757 [0,1,0,0,0,0|1,0,0]=2 5176 B14R0.344 CCCCOCSCC(=O)COC(=O)C 62a_100000036994_100011995733 [0,1,0,0,0,0|2,0,1]=4 5177 B14R0.344 CCCCOCSCC(=O)COC(=O)C 62a_100011995733_100000036994 [0,1,0,0,0,0|2,0,1]=4 5178 B14R0.344 CCCCOCSCC(C)CSC(=O)C 62a_100011995733_200000116872 [0,1,0,0,0,0|2,1,0]=4 5179 B14R0.344 CCCCOCSCC(C)CSC(=O)C 62a_200000116872_100011995733 [0,1,0,0,0,0|2,1,0]=4 5180 B14R0.344 CCCCOCSCC(O)COC(=O)C 62a_100011995733_200000139349 [0,1,0,0,0,0|2,0,0]=3 5181 B14R0.344 CCCCOCSCC(O)COC(=O)C 62a_200000139349_100011995733 [0,1,0,0,0,0|2,0,0]=3 5182 B14R0.344 CCCCSCCNC(=O)COC(=O)C 1626a_100025743550_100000183556 [0,1,0,0,0,0|2,0,1]=4 5183 B14R0.344 CCCCSCCNC(=O)COC(=O)C 240690a_100025743550_100000183556 [0,1,0,0,0,0|2,0,1]=4 5184 B14R0.344 CCCCSCCNC(=O)COC(=O)C 527a_100025743550_100000183556 [0,1,0,0,0,0|2,0,1]=4 5185 B14R0.344 CCCCSCCNC(C)COC(=O)C 270004a_100025743550_100000000629 [0,1,0,0,0,0|2,0,0]=3 5186 B14R0.344 CCCOCCCNC(=O)COC(=O)C 1626a_100011217757_100000183556 [0,1,0,0,0,0|2,0,1]=4 5187 B14R0.344 CCCOCCCNC(=O)COC(=O)C 240690a_100011217757_100000183556 [0,1,0,0,0,0|2,0,1]=4 5188 B14R0.344 CCCOCCCNC(=O)COC(=O)C 527a_100011217757_100000183556 [0,1,0,0,0,0|2,0,1]=4 5189 B14R0.344 CCCOCCCNC(C)COC(=O)C 270004a_100011217757_100000000629 [0,1,0,0,0,0|2,0,0]=3 5190 B14R0.344 CCCOCCNCC(=O)COC(=O)C 34a_100161115042_100000036994 [0,1,0,0,0,0|2,0,1]=4 5191 B14R0.344 CCCOCCNCC(C)CSC(=O)C 2230a_100161115042_200000116872 [0,1,0,0,0,0|2,1,0]=4 5192 B14R0.344 CCCOCCNCC(C)CSC(=O)C 34a_100161115042_200000116872 [0,1,0,0,0,0|2,1,0]=4 5193 B14R0.344 CCCOCCNCC(O)COC(=O)C 34a_100161115042_200000139349 [0,1,0,0,0,0|2,0,0]=3 5194 B14R0.344 CCCOCCOCC(=O)COC(=O)C 34a_100000752267_100000036994 [0,1,0,0,0,0|2,0,1]=4 5195 B14R0.344 CCCOCCOCC(C)CSC(=O)C 34a_100000752267_200000116872 [0,1,0,0,0,0|2,1,0]=4 5196 B14R0.344 CCCOCCOCC(C)CSC(=O)C 7a_100000752267_200000116872 [0,1,0,0,0,0|2,1,0]=4 5197 B14R0.344 CCCOCCOCC(O)COC(=O)C 34a_100000752267_200000139349 [0,1,0,0,0,0|2,0,0]=3 5198 B14R0.344 CCCOCCOCC(O)COC(=O)C 7a_100000752267_200000139349 [0,1,0,0,0,0|2,0,0]=3 5199 B14R0.344 CCCOCCSCC(=O)COC(=O)C 62a_100000036994_100011215938 [0,1,0,0,0,0|2,0,1]=4 5200 B14R0.344 CCCOCCSCC(=O)COC(=O)C 62a_100011215938_100000036994 [0,1,0,0,0,0|2,0,1]=4 5201 B14R0.344 CCCOCCSCC(C)CSC(=O)C 62a_100011215938_200000116872 [0,1,0,0,0,0|2,1,0]=4 5202 B14R0.344 CCCOCCSCC(C)CSC(=O)C 62a_200000116872_100011215938 [0,1,0,0,0,0|2,1,0]=4 5203 B14R0.344 CCCOCCSCC(O)COC(=O)C 62a_100011215938_200000139349 [0,1,0,0,0,0|2,0,0]=3 5204 B14R0.344 CCCOCCSCC(O)COC(=O)C 62a_200000139349_100011215938 [0,1,0,0,0,0|2,0,0]=3 5205 B14R0.344 CCCSCCNCC(C)CSC(=O)C 2230a_100020603323_200000116872 [0,1,0,0,0,0|2,1,0]=4 5206 B14R0.344 CCCSCCOCC(=O)COC(=O)C 34a_200000230433_100000036994 [0,1,0,0,0,0|2,0,1]=4 5207 B14R0.344 CCCSCCOCC(C)CSC(=O)C 34a_200000230433_200000116872 [0,1,0,0,0,0|2,1,0]=4 5208 B14R0.344 CCCSCCOCC(C)CSC(=O)C 7a_200000230433_200000116872 [0,1,0,0,0,0|2,1,0]=4 5209 B14R0.344 CCCSCCOCC(O)COC(=O)C 34a_200000230433_200000139349 [0,1,0,0,0,0|2,0,0]=3 5210 B14R0.344 CCCSCCOCC(O)COC(=O)C 7a_200000230433_200000139349 [0,1,0,0,0,0|2,0,0]=3 5211 B14R0.344 CCOCCCNCC(=O)COC(=O)C 34a_100000210961_100000036994 [0,1,0,0,0,0|2,0,1]=4 5212 B14R0.344 CCOCCCNCC(C)CSC(=O)C 2230a_100000210961_200000116872 [0,1,0,0,0,0|2,1,0]=4 5213 B14R0.344 CCOCCCNCC(C)CSC(=O)C 34a_100000210961_200000116872 [0,1,0,0,0,0|2,1,0]=4 5214 B14R0.344 CCOCCCNCC(O)COC(=O)C 34a_100000210961_200000139349 [0,1,0,0,0,0|2,0,0]=3 5215 B14R0.344 CCOCCCOCC(=O)COC(=O)C 34a_100000757476_100000036994 [0,1,0,0,0,0|2,0,1]=4 5216 B14R0.344 CCOCCCOCC(C)CSC(=O)C 34a_100000757476_200000116872 [0,1,0,0,0,0|2,1,0]=4 5217 B14R0.344 CCOCCCOCC(C)CSC(=O)C 7a_100000757476_200000116872 [0,1,0,0,0,0|2,1,0]=4 5218 B14R0.344 CCOCCCOCC(O)COC(=O)C 34a_100000757476_200000139349 [0,1,0,0,0,0|2,0,0]=3 5219 B14R0.344 CCOCCCOCC(O)COC(=O)C 7a_100000757476_200000139349 [0,1,0,0,0,0|2,0,0]=3 5220 B14R0.344 CCOCCCSCC(=O)COC(=O)C 62a_100000036994_100012232248 [0,1,0,0,0,0|2,0,1]=4 5221 B14R0.344 CCOCCCSCC(=O)COC(=O)C 62a_100012232248_100000036994 [0,1,0,0,0,0|2,0,1]=4 5222 B14R0.344 CCOCCCSCC(C)CSC(=O)C 62a_100012232248_200000116872 [0,1,0,0,0,0|2,1,0]=4 5223 B14R0.344 CCOCCCSCC(C)CSC(=O)C 62a_200000116872_100012232248 [0,1,0,0,0,0|2,1,0]=4 5224 B14R0.344 CCOCCCSCC(O)COC(=O)C 62a_100012232248_200000139349 [0,1,0,0,0,0|2,0,0]=3 5225 B14R0.344 CCOCCCSCC(O)COC(=O)C 62a_200000139349_100012232248 [0,1,0,0,0,0|2,0,0]=3 5226 B14R0.344 CCOCCOCCC(=O)COC(=O)C 1458a_100000183556_100011211534 [0,1,0,0,0,0|2,0,1]=4 5227 B14R0.344 CCSCCCOCC(=O)COC(=O)C 34a_100011216438_100000036994 [0,1,0,0,0,0|2,0,1]=4 5228 B14R0.344 CCSCCCOCC(C)CSC(=O)C 34a_100011216438_200000116872 [0,1,0,0,0,0|2,1,0]=4 5229 B14R0.344 CCSCCCOCC(C)CSC(=O)C 7a_100011216438_200000116872 [0,1,0,0,0,0|2,1,0]=4 5230 B14R0.344 CCSCCCOCC(O)COC(=O)C 34a_100011216438_200000139349 [0,1,0,0,0,0|2,0,0]=3 5231 B14R0.344 CCSCCCOCC(O)COC(=O)C 7a_100011216438_200000139349 [0,1,0,0,0,0|2,0,0]=3 5232 B14R0.344 COCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100011998445 [0,1,0,0,0,0|2,0,1]=4 5233 B14R0.344 COCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011998445 [0,1,0,0,0,0|1,0,1]=3 5234 B14R0.344 COCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100011998445 [0,1,0,0,0,0|1,1,1]=4 5235 B14R0.344 COCCCCCNC(=O)COC(=O)C 1626a_100000747528_100000183556 [0,1,0,0,0,0|2,0,1]=4 5236 B14R0.344 COCCCCCNC(=O)COC(=O)C 240690a_100000747528_100000183556 [0,1,0,0,0,0|2,0,1]=4 5237 B14R0.344 COCCCCCNC(=O)COC(=O)C 527a_100000747528_100000183556 [0,1,0,0,0,0|2,0,1]=4 5238 B14R0.344 COCCCCCNC(C)COC(=O)C 270004a_100000747528_100000000629 [0,1,0,0,0,0|2,0,0]=3 5239 B14R0.344 COCCCCOCC(=O)COC(=O)C 34a_100000740925_100000036994 [0,1,0,0,0,0|2,0,1]=4 5240 B14R0.344 COCCCCOCC(C)CSC(=O)C 34a_100000740925_200000116872 [0,1,0,0,0,0|2,1,0]=4 5241 B14R0.344 COCCCCOCC(O)COC(=O)C 34a_100000740925_200000139349 [0,1,0,0,0,0|2,0,0]=3 5242 B14R0.344 COCCCCSCC(=O)COC(=O)C 62a_100000036994_100000730899 [0,1,0,0,0,0|2,0,1]=4 5243 B14R0.344 COCCCCSCC(=O)COC(=O)C 62a_100000730899_100000036994 [0,1,0,0,0,0|2,0,1]=4 5244 B14R0.344 COCCCCSCC(C)CSC(=O)C 62a_100000730899_200000116872 [0,1,0,0,0,0|2,1,0]=4 5245 B14R0.344 COCCCCSCC(C)CSC(=O)C 62a_200000116872_100000730899 [0,1,0,0,0,0|2,1,0]=4 5246 B14R0.344 COCCCCSCC(O)COC(=O)C 62a_100000730899_200000139349 [0,1,0,0,0,0|2,0,0]=3 5247 B14R0.344 COCCCCSCC(O)COC(=O)C 62a_200000139349_100000730899 [0,1,0,0,0,0|2,0,0]=3 5248 B14R0.344 COCCOCCCC(=O)COC(=O)C 1458a_100000183556_100011216529 [0,1,0,0,0,0|2,0,1]=4 5249 B14R0.344 COCCOCCNC(C)COC(=O)C 270004a_100000745349_100000000629 [0,1,0,0,0,0|3,0,0]=4 5250 B14R0.344 COCCOCSCC(O)COC(=O)C 62a_100000231047_200000139349 [0,1,0,0,0,0|3,0,0]=4 5251 B14R0.344 COCCOCSCC(O)COC(=O)C 62a_200000139349_100000231047 [0,1,0,0,0,0|3,0,0]=4 5252 B14R0.344 CSCCCCOCC(=O)COC(=O)C 34a_100011217163_100000036994 [0,1,0,0,0,0|2,0,1]=4 5253 B14R0.344 CSCCCCOCC(C)CSC(=O)C 34a_100011217163_200000116872 [0,1,0,0,0,0|2,1,0]=4 5254 B14R0.344 CSCCCCOCC(C)CSC(=O)C 7a_100011217163_200000116872 [0,1,0,0,0,0|2,1,0]=4 5255 B14R0.344 CSCCCCOCC(O)COC(=O)C 34a_100011217163_200000139349 [0,1,0,0,0,0|2,0,0]=3 5256 B14R0.344 CSCCCCOCC(O)COC(=O)C 7a_100011217163_200000139349 [0,1,0,0,0,0|2,0,0]=3 5257 B14R0.391 C#CCCCCCCSC(C)OC(=O)C 62a_100009818208_100012276617 [0,1,0,0,0,0|1,0,2]=4 5258 B14R0.391 C#CCCCCCCSC(C)OC(=O)C 62a_100012276617_100009818208 [0,1,0,0,0,0|1,0,2]=4 5259 B14R0.391 C=C(C)CC(=O)CCCCCCCCC 1458a_100000210558_100000748629 [0,1,0,0,0,0|2,0,1]=4 5260 B14R0.391 C=C(C)CN(C)CCCCCCCCC 2230a_100000225649_100011214924 [0,1,0,0,0,0|3,0,0]=4 5261 B14R0.391 C=C(C)CN(C)CCCCCCCCC 2230a_100000232482_100000748629 [0,1,0,0,0,0|3,0,0]=4 5262 B14R0.391 C=C(C)CN(C)CCCCCCCCC 269982a_100000225649_100000210670 [0,1,0,0,0,0|3,0,0]=4 5263 B14R0.391 C=C(C)CN(C)CCCCCCCCC 269982a_100000232482_100000748629 [0,1,0,0,0,0|3,0,0]=4 5264 B14R0.391 C=CCCCCCCSC(C)OC(=O)C 62a_100009818208_100011215473 [0,1,0,0,0,0|1,0,2]=4 5265 B14R0.391 C=CCCCCCCSC(C)OC(=O)C 62a_100011215473_100009818208 [0,1,0,0,0,0|1,0,2]=4 5266 B14R0.391 CC(=O)OC(C)SCCCCCCC#N 62a_100009813337_100009818208 [0,1,0,0,0,0|2,0,1]=4 5267 B14R0.391 CC(=O)OC(C)SCCCCCCC#N 62a_100009818208_100009813337 [0,1,0,0,0,0|2,0,1]=4 5268 B14R0.391 CC(=O)OC(C)SCCCCCCCO 62a_100000760002_100009818208 [0,1,0,0,0,0|2,0,0]=3 5269 B14R0.391 CC(=O)OC(C)SCCCCCCCO 62a_100009818208_100000760002 [0,1,0,0,0,0|2,0,0]=3 5270 B14R0.391 CCCCCC#CCSC(C)OC(=O)C 62a_100009816472_100009818208 [0,1,0,0,0,0|1,0,2]=4 5271 B14R0.391 CCCCCC#CCSC(C)OC(=O)C 62a_100009818208_100009816472 [0,1,0,0,0,0|1,0,2]=4 5272 B14R0.391 CCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210670 [0,1,0,0,0,0|2,0,1]=4 5273 B14R0.391 CCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210670 [0,1,0,0,0,0|2,0,1]=4 5274 B14R0.391 CCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210670 [0,1,0,0,0,0|2,0,1]=4 5275 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [0,1,0,0,0,0|2,0,1]=4 5276 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [0,1,0,0,0,0|2,0,1]=4 5277 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [0,1,0,0,0,0|2,0,1]=4 5278 B14R0.391 CCCCCCCCCC(C)CN(C)C 270004a_100102631434_200011218516 [0,1,0,0,0,0|3,0,0]=4 5279 B14R0.391 CCCCCCCCCC(C)OC(C)C 34a_100011218016_100000210206 [0,1,0,0,0,0|1,0,1]=3 5280 B14R0.391 CCCCCCCCCC(C)OC(C)C 7a_100011218016_100000210206 [0,1,0,0,0,0|1,0,1]=3 5281 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000232482_100000747473 [0,1,0,0,0,0|3,0,0]=4 5282 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011214924 [0,1,0,0,0,0|3,0,0]=4 5283 B14R0.391 CCCCCCCCCN(C)CC(=O)N 269982a_100000232482_100000187820 [0,1,0,0,0,0|3,0,0]=4 5284 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [0,1,0,0,0,0|3,0,0]=4 5285 B14R0.391 CCCCCCCCCN(C)CC(=O)[O-] 269982a_100000232482_100020667443 [0,1,0,0,0,0|3,0,0]=4 5286 B14R0.391 CCCCCCCCOC(C)C=C(C)C 34a_100000717055_100000210759 [0,1,0,0,0,0|3,0,0]=4 5287 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100000210759_100009818208 [0,1,0,0,0,0|1,0,0]=2 5288 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210317 [0,1,0,0,0,0|1,0,0]=2 5289 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [0,1,0,0,0,0|3,0,0]=4 5290 B14R0.391 CCCCCCCOCC(=O)NC(=O)C 7a_100000210272_100000183797 [0,1,0,0,0,0|2,0,1]=4 5291 B14R0.391 CCCCCCCSCC(=O)NC(=O)C 62a_100000210614_100000183797 [0,1,0,0,0,0|2,0,1]=4 5292 B14R0.391 CCOCCOCCSC(C)OC(=O)C 62a_100009818208_100011211534 [0,1,0,0,0,0|3,0,0]=4 5293 B14R0.391 CCOCCOCCSC(C)OC(=O)C 62a_100011211534_100009818208 [0,1,0,0,0,0|3,0,0]=4 5294 B14R0.391 COCCCCCCSC(C)OC(=O)C 62a_100009818208_100011998445 [0,1,0,0,0,0|2,0,0]=3 5295 B14R0.391 COCCCCCCSC(C)OC(=O)C 62a_100011998445_100009818208 [0,1,0,0,0,0|2,0,0]=3 5296 B14R0.391 COCCOCCCSC(C)OC(=O)C 62a_100009818208_100011216529 [0,1,0,0,0,0|3,0,0]=4 5297 B14R0.391 COCCOCCCSC(C)OC(=O)C 62a_100011216529_100009818208 [0,1,0,0,0,0|3,0,0]=4 5298 B14R0.394 C#CCCCCCCCCCOC(C)C 34a_100000034437_100000210206 [0,1,0,0,0,0|1,0,2]=4 5299 B14R0.394 C#CCCCCCCCCCOC(C)C 7a_100000034437_100000210206 [0,1,0,0,0,0|1,0,2]=4 5300 B14R0.394 C#CCCCCCCCCOCC(=C)C 34a_100000065265_100000748629 [0,1,0,0,0,0|1,0,2]=4 5301 B14R0.394 C#CCCCCCCCCOCC(=C)C 7a_100000065265_100000748629 [0,1,0,0,0,0|1,0,2]=4 5302 B14R0.394 C#CCCCCCCCCOCC(=O)N 34a_100000065265_100000187820 [0,1,0,0,0,0|1,0,2]=4 5303 B14R0.394 C#CCCCCCCCCOCC(=O)N 7a_100000065265_100000187820 [0,1,0,0,0,0|1,0,2]=4 5304 B14R0.394 C#CCCCCCCCCOCC(=O)[O-] 34a_100000065265_100020667443 [0,1,0,0,0,0|1,0,2]=4 5305 B14R0.394 C#CCCCCCCCOCCC(=O)C 34a_100000759926_100153394163 [0,1,0,0,0,0|1,0,2]=4 5306 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000054614_100000053229 [0,1,0,0,0,0|1,0,2]=4 5307 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000759926_100153394163 [0,1,0,0,0,0|1,0,2]=4 5308 B14R0.394 C#CCCCCCCCOCOC(=O)C 34a_100000054614_100009813279 [0,1,0,0,0,0|0,0,2]=3 5309 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100000053229_100153394163 [0,1,0,0,0,0|1,0,2]=4 5310 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100153394163_100000053229 [0,1,0,0,0,0|1,0,2]=4 5311 B14R0.394 C#CCCCCCCCSCOC(=O)C 62a_100000076356_100153394163 [0,1,0,0,0,0|0,0,2]=3 5312 B14R0.394 C#CCCCCCCCSCOC(=O)C 62a_100153394163_100000076356 [0,1,0,0,0,0|0,0,2]=3 5313 B14R0.394 C#CCCCCCCNCCNC(=O)C 2230a_100000209853_100012276617 [0,1,0,0,0,0|1,0,2]=4 5314 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100000759063_100012276617 [0,1,0,0,0,0|1,0,2]=4 5315 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100011217361_100000685027 [0,1,0,0,0,0|1,0,2]=4 5316 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100000759063_100012276617 [0,1,0,0,0,0|1,0,2]=4 5317 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100011217361_100011215641 [0,1,0,0,0,0|1,0,2]=4 5318 B14R0.394 C#CCCCCCCOCCNC(=O)C 34a_100000158858_100012276617 [0,1,0,0,0,0|1,0,2]=4 5319 B14R0.394 C#CCCCCCCOCCNC(=O)C 7a_100011217361_100000189650 [0,1,0,0,0,0|1,0,2]=4 5320 B14R0.394 C#CCCCCCCOCCOC(=O)C 34a_100011217361_100009814007 [0,1,0,0,0,0|0,0,2]=3 5321 B14R0.394 C#CCCCCCCOCCOC(=O)C 7a_100011217361_100009814007 [0,1,0,0,0,0|0,0,2]=3 5322 B14R0.394 C#CCCCCCCOCCOC(=O)N 34a_100011217361_200011214921 [0,1,0,0,0,0|1,0,2]=4 5323 B14R0.394 C#CCCCCCCOCCOC(=O)N 7a_100000766696_100012276617 [0,1,0,0,0,0|1,0,2]=4 5324 B14R0.394 C#CCCCCCCOCCOC(=O)N 7a_100011217361_200011214921 [0,1,0,0,0,0|1,0,2]=4 5325 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100011215641_100012276617 [0,1,0,0,0,0|1,0,2]=4 5326 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100012276617_100011215641 [0,1,0,0,0,0|1,0,2]=4 5327 B14R0.394 C#CCCCCCCSCCNC(=O)C 62a_100000189650_100012276617 [0,1,0,0,0,0|1,0,2]=4 5328 B14R0.394 C#CCCCCCCSCCNC(=O)C 62a_100012276617_100000189650 [0,1,0,0,0,0|1,0,2]=4 5329 B14R0.394 C#CCCCCCCSCCOC(=O)C 62a_100009814007_100012276617 [0,1,0,0,0,0|0,0,2]=3 5330 B14R0.394 C#CCCCCCCSCCOC(=O)C 62a_100012276617_100009814007 [0,1,0,0,0,0|0,0,2]=3 5331 B14R0.394 C#CCCCCCCSCCOC(=O)N 62a_100012276617_200011214921 [0,1,0,0,0,0|1,0,2]=4 5332 B14R0.394 C#CCCCCCCSCCOC(=O)N 62a_200011214921_100012276617 [0,1,0,0,0,0|1,0,2]=4 5333 B14R0.394 C#CCCCCCNCCCNC(=O)C 34a_100000736810_100012094781 [0,1,0,0,0,0|1,0,2]=4 5334 B14R0.394 C#CCCCCCOCCCCC(=O)C 34a_100000766912_100009817362 [0,1,0,0,0,0|1,0,2]=4 5335 B14R0.394 C#CCCCCCOCCCCC(=O)C 7a_100000766912_100000735457 [0,1,0,0,0,0|1,0,2]=4 5336 B14R0.394 C#CCCCCCOCCCNC(=O)C 34a_100000752032_100012094781 [0,1,0,0,0,0|1,0,2]=4 5337 B14R0.394 C#CCCCCCOCCCOC(=O)C 34a_100000766912_100000042594 [0,1,0,0,0,0|0,0,2]=3 5338 B14R0.394 C#CCCCCCOCCCOC(=O)C 7a_100000766912_100000042594 [0,1,0,0,0,0|0,0,2]=3 5339 B14R0.394 C#CCCCCCOCCCOC(=S)C 34a_100000766912_200135323944 [0,1,0,0,0,0|0,1,2]=4 5340 B14R0.394 C#CCCCCCOCCCOC(=S)C 7a_100000766912_200135323944 [0,1,0,0,0,0|0,1,2]=4 5341 B14R0.394 C#CCCCCCOCCCSC(=O)C 34a_100000766912_100000038929 [0,1,0,0,0,0|0,1,2]=4 5342 B14R0.394 C#CCCCCCOCCCSC(=O)C 7a_100000766912_100000038929 [0,1,0,0,0,0|0,1,2]=4 5343 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100000735457_100012094781 [0,1,0,0,0,0|1,0,2]=4 5344 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100012094781_100000735457 [0,1,0,0,0,0|1,0,2]=4 5345 B14R0.394 C#CCCCCCSCCCOC(=O)C 62a_100000042594_100012094781 [0,1,0,0,0,0|0,0,2]=3 5346 B14R0.394 C#CCCCCCSCCCOC(=O)C 62a_100012094781_100000042594 [0,1,0,0,0,0|0,0,2]=3 5347 B14R0.394 C#CCCCCCSCCCOC(=S)C 62a_100012094781_200135323944 [0,1,0,0,0,0|0,1,2]=4 5348 B14R0.394 C#CCCCCCSCCCOC(=S)C 62a_200135323944_100012094781 [0,1,0,0,0,0|0,1,2]=4 5349 B14R0.394 C#CCCCCCSCCCSC(=O)C 62a_100000038929_100012094781 [0,1,0,0,0,0|0,1,2]=4 5350 B14R0.394 C#CCCCCCSCCCSC(=O)C 62a_100012094781_100000038929 [0,1,0,0,0,0|0,1,2]=4 5351 B14R0.394 C#CCCCCNCCCCNC(=O)C 2230a_200011368371_100010269958 [0,1,0,0,0,0|1,0,2]=4 5352 B14R0.394 C#CCCCCNCCCCNC(=O)C 34a_200011368371_100010269958 [0,1,0,0,0,0|1,0,2]=4 5353 B14R0.394 C#CCCCCNCCCCOC(=O)C 34a_100000706060_100000033659 [0,1,0,0,0,0|0,0,2]=3 5354 B14R0.394 C#CCCCCNCCCCSC(=O)C 2230a_100000706060_200010402107 [0,1,0,0,0,0|0,1,2]=4 5355 B14R0.394 C#CCCCCNCCCCSC(=O)C 34a_100000706060_200010402107 [0,1,0,0,0,0|0,1,2]=4 5356 B14R0.394 C#CCCCCNCOCCOC(=O)C 34a_100000706060_100000076355 [0,1,0,0,0,0|1,0,2]=4 5357 B14R0.394 C#CCCCCOCCCCOC(=O)C 34a_100000073216_100010269958 [0,1,0,0,0,0|0,0,2]=3 5358 B14R0.394 C#CCCCCOCCCCOC(=O)C 34a_100000766709_100000033659 [0,1,0,0,0,0|0,0,2]=3 5359 B14R0.394 C#CCCCCOCCCCOC(=O)C 7a_100000073216_100010269958 [0,1,0,0,0,0|0,0,2]=3 5360 B14R0.394 C#CCCCCOCCCCOC(=O)C 7a_100000766709_100000033659 [0,1,0,0,0,0|0,0,2]=3 5361 B14R0.394 C#CCCCCOCCCCSC(=O)C 34a_100000766709_200010402107 [0,1,0,0,0,0|0,1,2]=4 5362 B14R0.394 C#CCCCCOCCCCSC(=O)C 7a_100000766709_200010402107 [0,1,0,0,0,0|0,1,2]=4 5363 B14R0.394 C#CCCCCOCOCCOC(=O)C 34a_100000766709_100000076355 [0,1,0,0,0,0|1,0,2]=4 5364 B14R0.394 C#CCCCCSCCCCOC(=O)C 62a_100000033659_100010269958 [0,1,0,0,0,0|0,0,2]=3 5365 B14R0.394 C#CCCCCSCCCCOC(=O)C 62a_100010269958_100000033659 [0,1,0,0,0,0|0,0,2]=3 5366 B14R0.394 C#CCCCCSCCCCSC(=O)C 62a_100010269958_200010402107 [0,1,0,0,0,0|0,1,2]=4 5367 B14R0.394 C#CCCCCSCCCCSC(=O)C 62a_200010402107_100010269958 [0,1,0,0,0,0|0,1,2]=4 5368 B14R0.394 C#CCCCCSCOCCOC(=O)C 62a_100000076355_100010269958 [0,1,0,0,0,0|1,0,2]=4 5369 B14R0.394 C#CCCCCSCOCCOC(=O)C 62a_100010269958_100000076355 [0,1,0,0,0,0|1,0,2]=4 5370 B14R0.394 C#CCCCNCCCCCNC(=O)C 2230a_200012022750_100000731252 [0,1,0,0,0,0|1,0,2]=4 5371 B14R0.394 C#CCCCNCCCCCNC(=O)C 34a_200012022750_100000695029 [0,1,0,0,0,0|1,0,2]=4 5372 B14R0.394 C#CCCCNCCCCCOC(=O)C 34a_100000718082_100000033007 [0,1,0,0,0,0|0,0,2]=3 5373 B14R0.394 C#CCCCNCCOCCOC(=O)C 34a_100000718082_200000083610 [0,1,0,0,0,0|1,0,2]=4 5374 B14R0.394 C#CCCCOCCCCCOC(=O)C 34a_100000215630_100000033007 [0,1,0,0,0,0|0,0,2]=3 5375 B14R0.394 C#CCCCOCCCCCOC(=O)C 7a_100000215630_100000033007 [0,1,0,0,0,0|0,0,2]=3 5376 B14R0.394 C#CCCCOCCOCCOC(=O)C 34a_100000215630_200000083610 [0,1,0,0,0,0|1,0,2]=4 5377 B14R0.394 C#CCCCOCCOCCOC(=O)C 7a_100000215630_200000083610 [0,1,0,0,0,0|1,0,2]=4 5378 B14R0.394 C#CCCCSCCCCCOC(=O)C 62a_100000033007_100011215417 [0,1,0,0,0,0|0,0,2]=3 5379 B14R0.394 C#CCCCSCCCCCOC(=O)C 62a_100011215417_100000033007 [0,1,0,0,0,0|0,0,2]=3 5380 B14R0.394 C#CCCCSCCOCCOC(=O)C 62a_100011215417_200000083610 [0,1,0,0,0,0|1,0,2]=4 5381 B14R0.394 C#CCCCSCCOCCOC(=O)C 62a_200000083610_100011215417 [0,1,0,0,0,0|1,0,2]=4 5382 B14R0.394 C#CCCNCCCCCCNC(=O)C 2230a_200011996284_100000688953 [0,1,0,0,0,0|1,0,2]=4 5383 B14R0.394 C#CCCNCCCCCCNC(=O)C 34a_200011996284_100000688953 [0,1,0,0,0,0|1,0,2]=4 5384 B14R0.394 C#CCOCCNCCCCOC(=O)C 34a_100000700922_100000033659 [0,1,0,0,0,0|1,0,2]=4 5385 B14R0.394 C#CCOCCOCCCCOC(=O)C 34a_100000054580_100000033659 [0,1,0,0,0,0|1,0,2]=4 5386 B14R0.394 C#CCOCCOCCCCOC(=O)C 34a_100000073216_100010402529 [0,1,0,0,0,0|1,0,2]=4 5387 B14R0.394 C#CCOCCOCCCCOC(=O)C 7a_100000054580_100000033659 [0,1,0,0,0,0|1,0,2]=4 5388 B14R0.394 C#CCOCCOCCCCOC(=O)C 7a_100000073216_100010402529 [0,1,0,0,0,0|1,0,2]=4 5389 B14R0.394 C#CCOCCSCCCCOC(=O)C 62a_100000033659_100010402529 [0,1,0,0,0,0|1,0,2]=4 5390 B14R0.394 C#CCOCCSCCCCOC(=O)C 62a_100010402529_100000033659 [0,1,0,0,0,0|1,0,2]=4 5391 B14R0.394 C/C=C/CCOCCCCCOC(=O)C 34a_100016278192_100000033007 [0,1,0,0,0,0|0,0,2]=3 5392 B14R0.394 C/C=C/CCOCCOCCOC(=O)C 34a_100016278192_200000083610 [0,1,0,0,0,0|1,0,2]=4 5393 B14R0.394 C/C=C/CNCCCCCCNC(=O)C 34a_200011996284_100102629194 [0,1,0,0,0,0|1,0,2]=4 5394 B14R0.394 C=C(Br)CCOCCCCCCCCC 34a_100009813270_100011214924 [0,1,0,0,0,0|2,0,1]=4 5395 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [0,1,0,0,0,0|2,0,0]=3 5396 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [0,1,0,0,0,0|2,0,0]=3 5397 B14R0.394 C=C(C)CCNCCCCCCCCO 2230a_102515433106_100000730704 [0,1,0,0,0,0|3,0,0]=4 5398 B14R0.394 C=C(C)CCNCCCCCCCCO 34a_102515433106_100000730704 [0,1,0,0,0,0|3,0,0]=4 5399 B14R0.394 C=C(C)CCOCCCCCCCCBr 34a_100009813846_100000730704 [0,1,0,0,0,0|3,0,0]=4 5400 B14R0.394 C=C(C)CCOCCCCCCCCBr 7a_100009813846_100000730704 [0,1,0,0,0,0|3,0,0]=4 5401 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [0,1,0,0,0,0|2,0,0]=3 5402 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [0,1,0,0,0,0|2,0,0]=3 5403 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [0,1,0,0,0,0|2,0,0]=3 5404 B14R0.394 C=C(C)CCOCCCCCCCCCl 34a_100000033203_100000730704 [0,1,0,0,0,0|3,0,0]=4 5405 B14R0.394 C=C(C)CCOCCCCCCCCCl 7a_100000033203_100000730704 [0,1,0,0,0,0|3,0,0]=4 5406 B14R0.394 C=C(C)CCOCCCCCCCCN 34a_102515433106_100000730704 [0,1,0,0,0,0|3,0,0]=4 5407 B14R0.394 C=C(C)CCOCCCCCCCCO 34a_100000764851_100000033203 [0,1,0,0,0,0|3,0,0]=4 5408 B14R0.394 C=C(C)CCOCCCCNCCCC 34a_200011216965_100000730704 [0,1,0,0,0,0|3,0,0]=4 5409 B14R0.394 C=C(C)CCOCCCCOCCCC 34a_200000760531_100000730704 [0,1,0,0,0,0|3,0,0]=4 5410 B14R0.394 C=C(C)CCOCCCCOCCCC 7a_200000760531_100000730704 [0,1,0,0,0,0|3,0,0]=4 5411 B14R0.394 C=C(C)CCOCCOCCCCCC 34a_100000691444_100000730704 [0,1,0,0,0,0|3,0,0]=4 5412 B14R0.394 C=C(C)CCOCCOCCCCCC 7a_100000691444_100000730704 [0,1,0,0,0,0|3,0,0]=4 5413 B14R0.394 C=C(C)CCSCCCCCCCCC 62a_100000730704_100000210670 [0,1,0,0,0,0|2,0,0]=3 5414 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000033203_100000730704 [0,1,0,0,0,0|3,0,0]=4 5415 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000730704_100000033203 [0,1,0,0,0,0|3,0,0]=4 5416 B14R0.394 C=C(C)CNCCCCCCCCCC 2230a_100000684558_100000748629 [0,1,0,0,0,0|2,0,0]=3 5417 B14R0.394 C=C(C)CNCCCCCCCCCC 34a_100000684558_100000748629 [0,1,0,0,0,0|2,0,0]=3 5418 B14R0.394 C=C(C)CNCCCCCCCCCO 2230a_100000078944_100000748629 [0,1,0,0,0,0|3,0,0]=4 5419 B14R0.394 C=C(C)CNCCCCCCCCCO 34a_100000078944_100000748629 [0,1,0,0,0,0|3,0,0]=4 5420 B14R0.394 C=C(C)COCC#CCCCCCCC 34a_200000061759_100000748629 [0,1,0,0,0,0|1,0,2]=4 5421 B14R0.394 C=C(C)COCC#CCCCCCCC 7a_200000061759_100000748629 [0,1,0,0,0,0|1,0,2]=4 5422 B14R0.394 C=C(C)COCCC#CCCCCCC 34a_200000033163_100000748629 [0,1,0,0,0,0|1,0,2]=4 5423 B14R0.394 C=C(C)COCCC#CCCCCCC 7a_200000033163_100000748629 [0,1,0,0,0,0|1,0,2]=4 5424 B14R0.394 C=C(C)COCCC/C=C\CCCCC 34a_100020655193_100000748629 [0,1,0,0,0,0|1,0,2]=4 5425 B14R0.394 C=C(C)COCCC/C=C\CCCCC 7a_100020655193_100000748629 [0,1,0,0,0,0|1,0,2]=4 5426 B14R0.394 C=C(C)COCCCC/C=C/CCCC 34a_200020645093_100000748629 [0,1,0,0,0,0|1,0,2]=4 5427 B14R0.394 C=C(C)COCCCC/C=C/CCCC 7a_200020645093_100000748629 [0,1,0,0,0,0|1,0,2]=4 5428 B14R0.394 C=C(C)COCCCCC#CCCCC 34a_200000066234_100000748629 [0,1,0,0,0,0|1,0,2]=4 5429 B14R0.394 C=C(C)COCCCCC#CCCCC 7a_200000066234_100000748629 [0,1,0,0,0,0|1,0,2]=4 5430 B14R0.394 C=C(C)COCCCCCCC#CCC 34a_100000210245_200000036426 [0,1,0,0,0,0|1,0,2]=4 5431 B14R0.394 C=C(C)COCCCCCCCCCBr 34a_100009813782_100000748629 [0,1,0,0,0,0|2,0,0]=3 5432 B14R0.394 C=C(C)COCCCCCCCCCBr 7a_100009813782_100000748629 [0,1,0,0,0,0|2,0,0]=3 5433 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210245_100000210320 [0,1,0,0,0,0|1,0,0]=2 5434 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210711_100000748629 [0,1,0,0,0,0|1,0,0]=2 5435 B14R0.394 C=C(C)COCCCCCCCCCC 7a_100000210711_100000748629 [0,1,0,0,0,0|1,0,0]=2 5436 B14R0.394 C=C(C)COCCCCCCCCCCl 34a_100009868337_100000748629 [0,1,0,0,0,0|2,0,0]=3 5437 B14R0.394 C=C(C)COCCCCCCCCCCl 7a_100009868337_100000748629 [0,1,0,0,0,0|2,0,0]=3 5438 B14R0.394 C=C(C)COCCCCCCCCCN 34a_100000078944_100000748629 [0,1,0,0,0,0|2,0,0]=3 5439 B14R0.394 C=C(C)COCCCCCCCCCO 34a_100000210245_100009813782 [0,1,0,0,0,0|2,0,0]=3 5440 B14R0.394 C=C(C)COCCOCCOCCCC 34a_100011215186_100000748629 [0,1,0,0,0,0|3,0,0]=4 5441 B14R0.394 C=C(C)COCCOCCOCCCC 7a_100011215186_100000748629 [0,1,0,0,0,0|3,0,0]=4 5442 B14R0.394 C=C(C)CSCCCCCCCCCC 62a_100000748629_100000210320 [0,1,0,0,0,0|1,1,0]=3 5443 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100000748629_100009813782 [0,1,0,0,0,0|2,1,0]=4 5444 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100009813782_100000211660 [0,1,0,0,0,0|2,1,0]=4 5445 B14R0.394 C=C(F)CNCCCCCCCCCC 2230a_100000684558_100009893438 [0,1,0,0,0,0|2,0,1]=4 5446 B14R0.394 C=C(F)CNCCCCCCCCCC 34a_100000684558_100009893438 [0,1,0,0,0,0|2,0,1]=4 5447 B14R0.394 C=C(F)COCCCCCCCCCBr 34a_100009813782_100009893438 [0,1,0,0,0,0|2,0,1]=4 5448 B14R0.394 C=C(F)COCCCCCCCCCBr 7a_100009813782_100000042424 [0,1,0,0,0,0|2,0,1]=4 5449 B14R0.394 C=C(F)COCCCCCCCCCC 34a_100000210711_100009893438 [0,1,0,0,0,0|1,0,1]=3 5450 B14R0.394 C=C(F)COCCCCCCCCCC 34a_200010262243_100000210320 [0,1,0,0,0,0|1,0,1]=3 5451 B14R0.394 C=C(F)COCCCCCCCCCC 7a_100000210711_100000042424 [0,1,0,0,0,0|1,0,1]=3 5452 B14R0.394 C=C(F)COCCCCCCCCCCl 34a_100009868337_100009893438 [0,1,0,0,0,0|2,0,1]=4 5453 B14R0.394 C=C(F)COCCCCCCCCCCl 7a_100009868337_100000042424 [0,1,0,0,0,0|2,0,1]=4 5454 B14R0.394 C=C(F)COCCCCCCCCCN 34a_100000078944_100009893438 [0,1,0,0,0,0|2,0,1]=4 5455 B14R0.394 C=C(F)COCCCCCCCCCO 34a_200010262243_100009813782 [0,1,0,0,0,0|2,0,1]=4 5456 B14R0.394 C=C(F)CSCCCCCCCCCC 62a_100000042424_100000210320 [0,1,0,0,0,0|1,1,1]=4 5457 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [0,1,0,0,0,0|1,0,1]=3 5458 B14R0.394 C=CCCCCCCCCCNC(=O)C 11a_100000081888_100015343762 [0,1,0,0,0,0|1,0,1]=3 5459 B14R0.394 C=CCCCCCCCCCNC(=O)C 1626a_100000081888_100015343762 [0,1,0,0,0,0|1,0,1]=3 5460 B14R0.394 C=CCCCCCCCCCNC(=O)C 240690a_100000081888_100015343762 [0,1,0,0,0,0|1,0,1]=3 5461 B14R0.394 C=CCCCCCCCCCNC(=O)C 527a_100000081888_100103153847 [0,1,0,0,0,0|1,0,1]=3 5462 B14R0.394 C=CCCCCCCCCCOC(C)C 34a_100000038209_100000210206 [0,1,0,0,0,0|1,0,2]=4 5463 B14R0.394 C=CCCCCCCCCCOC(C)C 34a_100000212225_100009814027 [0,1,0,0,0,0|1,0,2]=4 5464 B14R0.394 C=CCCCCCCCCCOC(C)C 7a_100000038209_100000210206 [0,1,0,0,0,0|1,0,2]=4 5465 B14R0.394 C=CCCCCCCCCOCC(=C)C 34a_100000210245_100011933949 [0,1,0,0,0,0|1,0,2]=4 5466 B14R0.394 C=CCCCCCCCCOCC(=C)C 34a_100011215194_100000748629 [0,1,0,0,0,0|1,0,2]=4 5467 B14R0.394 C=CCCCCCCCCOCC(=C)C 7a_100011215194_100000748629 [0,1,0,0,0,0|1,0,2]=4 5468 B14R0.394 C=CCCCCCCCCOCC(=O)C 34a_100000211253_100011933949 [0,1,0,0,0,0|0,0,2]=3 5469 B14R0.394 C=CCCCCCCCCOCC(=O)N 34a_100011215194_100000187820 [0,1,0,0,0,0|1,0,2]=4 5470 B14R0.394 C=CCCCCCCCCOCC(=O)N 7a_100011215194_100000187820 [0,1,0,0,0,0|1,0,2]=4 5471 B14R0.394 C=CCCCCCCCCOCC(=O)[O-] 34a_100011215194_100020667443 [0,1,0,0,0,0|1,0,2]=4 5472 B14R0.394 C=CCCCCCCCOCCC(=O)C 34a_100000759926_100012355270 [0,1,0,0,0,0|1,0,2]=4 5473 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000730831_100000053229 [0,1,0,0,0,0|1,0,2]=4 5474 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000759926_100012355270 [0,1,0,0,0,0|1,0,2]=4 5475 B14R0.394 C=CCCCCCCCOCOC(=O)C 34a_100000730831_100009813279 [0,1,0,0,0,0|0,0,2]=3 5476 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100000053229_100012355270 [0,1,0,0,0,0|1,0,2]=4 5477 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100012355270_100000053229 [0,1,0,0,0,0|1,0,2]=4 5478 B14R0.394 C=CCCCCCCCSCOC(=O)C 62a_100000076356_100012355270 [0,1,0,0,0,0|0,0,2]=3 5479 B14R0.394 C=CCCCCCCCSCOC(=O)C 62a_100012355270_100000076356 [0,1,0,0,0,0|0,0,2]=3 5480 B14R0.394 C=CCCCCCCNCCNC(=O)C 2230a_100000209853_100011215473 [0,1,0,0,0,0|1,0,2]=4 5481 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_100000759063_100011215473 [0,1,0,0,0,0|1,0,2]=4 5482 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_200011216477_100000685027 [0,1,0,0,0,0|1,0,2]=4 5483 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_100000759063_100011215473 [0,1,0,0,0,0|1,0,2]=4 5484 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_200011216477_100011215641 [0,1,0,0,0,0|1,0,2]=4 5485 B14R0.394 C=CCCCCCCOCCNC(=O)C 34a_100000158858_100011215473 [0,1,0,0,0,0|1,0,2]=4 5486 B14R0.394 C=CCCCCCCOCCNC(=O)C 7a_200011216477_100000189650 [0,1,0,0,0,0|1,0,2]=4 5487 B14R0.394 C=CCCCCCCOCCOC(=O)C 34a_200011216477_100009814007 [0,1,0,0,0,0|0,0,2]=3 5488 B14R0.394 C=CCCCCCCOCCOC(=O)C 7a_200011216477_100009814007 [0,1,0,0,0,0|0,0,2]=3 5489 B14R0.394 C=CCCCCCCOCCOC(=O)N 34a_200011216477_200011214921 [0,1,0,0,0,0|1,0,2]=4 5490 B14R0.394 C=CCCCCCCOCCOC(=O)N 7a_100000766696_100011215473 [0,1,0,0,0,0|1,0,2]=4 5491 B14R0.394 C=CCCCCCCOCCOC(=O)N 7a_200011216477_200011214921 [0,1,0,0,0,0|1,0,2]=4 5492 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215473_100011215641 [0,1,0,0,0,0|1,0,2]=4 5493 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215641_100011215473 [0,1,0,0,0,0|1,0,2]=4 5494 B14R0.394 C=CCCCCCCSCCNC(=O)C 62a_100000189650_100011215473 [0,1,0,0,0,0|1,0,2]=4 5495 B14R0.394 C=CCCCCCCSCCNC(=O)C 62a_100011215473_100000189650 [0,1,0,0,0,0|1,0,2]=4 5496 B14R0.394 C=CCCCCCCSCCOC(=O)C 62a_100009814007_100011215473 [0,1,0,0,0,0|0,0,2]=3 5497 B14R0.394 C=CCCCCCCSCCOC(=O)C 62a_100011215473_100009814007 [0,1,0,0,0,0|0,0,2]=3 5498 B14R0.394 C=CCCCCCCSCCOC(=O)N 62a_100011215473_200011214921 [0,1,0,0,0,0|1,0,2]=4 5499 B14R0.394 C=CCCCCCCSCCOC(=O)N 62a_200011214921_100011215473 [0,1,0,0,0,0|1,0,2]=4 5500 B14R0.394 C=CCCCCCNCCCNC(=O)C 34a_100000736810_100000700193 [0,1,0,0,0,0|1,0,2]=4 5501 B14R0.394 C=CCCCCCOCCCCC(=O)C 34a_100011216702_100009817362 [0,1,0,0,0,0|1,0,2]=4 5502 B14R0.394 C=CCCCCCOCCCCC(=O)C 7a_100011216702_100000735457 [0,1,0,0,0,0|1,0,2]=4 5503 B14R0.394 C=CCCCCCOCCCNC(=O)C 34a_100000752032_100000700193 [0,1,0,0,0,0|1,0,2]=4 5504 B14R0.394 C=CCCCCCOCCCOC(=O)C 34a_100011216702_100000042594 [0,1,0,0,0,0|0,0,2]=3 5505 B14R0.394 C=CCCCCCOCCCOC(=O)C 7a_100011216702_100000042594 [0,1,0,0,0,0|0,0,2]=3 5506 B14R0.394 C=CCCCCCOCCCOC(=S)C 34a_100011216702_200135323944 [0,1,0,0,0,0|0,1,2]=4 5507 B14R0.394 C=CCCCCCOCCCOC(=S)C 7a_100011216702_200135323944 [0,1,0,0,0,0|0,1,2]=4 5508 B14R0.394 C=CCCCCCOCCCSC(=O)C 34a_100011216702_100000038929 [0,1,0,0,0,0|0,1,2]=4 5509 B14R0.394 C=CCCCCCOCCCSC(=O)C 7a_100011216702_100000038929 [0,1,0,0,0,0|0,1,2]=4 5510 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000700193_100000735457 [0,1,0,0,0,0|1,0,2]=4 5511 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000735457_100000700193 [0,1,0,0,0,0|1,0,2]=4 5512 B14R0.394 C=CCCCCCSCCCOC(=O)C 62a_100000042594_100000700193 [0,1,0,0,0,0|0,0,2]=3 5513 B14R0.394 C=CCCCCCSCCCOC(=O)C 62a_100000700193_100000042594 [0,1,0,0,0,0|0,0,2]=3 5514 B14R0.394 C=CCCCCCSCCCOC(=S)C 62a_100000700193_200135323944 [0,1,0,0,0,0|0,1,2]=4 5515 B14R0.394 C=CCCCCCSCCCOC(=S)C 62a_200135323944_100000700193 [0,1,0,0,0,0|0,1,2]=4 5516 B14R0.394 C=CCCCCCSCCCSC(=O)C 62a_100000038929_100000700193 [0,1,0,0,0,0|0,1,2]=4 5517 B14R0.394 C=CCCCCCSCCCSC(=O)C 62a_100000700193_100000038929 [0,1,0,0,0,0|0,1,2]=4 5518 B14R0.394 C=CCCCCNCCCCNC(=O)C 2230a_200011368371_100011215482 [0,1,0,0,0,0|1,0,2]=4 5519 B14R0.394 C=CCCCCNCCCCNC(=O)C 34a_200011368371_100011215482 [0,1,0,0,0,0|1,0,2]=4 5520 B14R0.394 C=CCCCCNCCCCOC(=O)C 34a_100000703577_100000033659 [0,1,0,0,0,0|0,0,2]=3 5521 B14R0.394 C=CCCCCNCCCCSC(=O)C 2230a_100000703577_200010402107 [0,1,0,0,0,0|0,1,2]=4 5522 B14R0.394 C=CCCCCNCCCCSC(=O)C 34a_100000703577_200010402107 [0,1,0,0,0,0|0,1,2]=4 5523 B14R0.394 C=CCCCCNCOCCOC(=O)C 34a_100000703577_100000076355 [0,1,0,0,0,0|1,0,2]=4 5524 B14R0.394 C=CCCCCOCCCCOC(=O)C 34a_100000073216_100011215482 [0,1,0,0,0,0|0,0,2]=3 5525 B14R0.394 C=CCCCCOCCCCOC(=O)C 34a_100000766645_100000033659 [0,1,0,0,0,0|0,0,2]=3 5526 B14R0.394 C=CCCCCOCCCCOC(=O)C 7a_100000073216_100011215482 [0,1,0,0,0,0|0,0,2]=3 5527 B14R0.394 C=CCCCCOCCCCOC(=O)C 7a_100000766645_100000033659 [0,1,0,0,0,0|0,0,2]=3 5528 B14R0.394 C=CCCCCOCCCCSC(=O)C 34a_100000766645_200010402107 [0,1,0,0,0,0|0,1,2]=4 5529 B14R0.394 C=CCCCCOCCCCSC(=O)C 7a_100000766645_200010402107 [0,1,0,0,0,0|0,1,2]=4 5530 B14R0.394 C=CCCCCOCOCCOC(=O)C 34a_100000766645_100000076355 [0,1,0,0,0,0|1,0,2]=4 5531 B14R0.394 C=CCCCCSCCCCOC(=O)C 62a_100000033659_100011215482 [0,1,0,0,0,0|0,0,2]=3 5532 B14R0.394 C=CCCCCSCCCCOC(=O)C 62a_100011215482_100000033659 [0,1,0,0,0,0|0,0,2]=3 5533 B14R0.394 C=CCCCCSCCCCSC(=O)C 62a_100011215482_200010402107 [0,1,0,0,0,0|0,1,2]=4 5534 B14R0.394 C=CCCCCSCCCCSC(=O)C 62a_200010402107_100011215482 [0,1,0,0,0,0|0,1,2]=4 5535 B14R0.394 C=CCCCCSCOCCOC(=O)C 62a_100000076355_100011215482 [0,1,0,0,0,0|1,0,2]=4 5536 B14R0.394 C=CCCCCSCOCCOC(=O)C 62a_100011215482_100000076355 [0,1,0,0,0,0|1,0,2]=4 5537 B14R0.394 C=CCCCNCCCCCNC(=O)C 2230a_200012022750_100011713584 [0,1,0,0,0,0|1,0,2]=4 5538 B14R0.394 C=CCCCNCCCCCNC(=O)C 34a_200012022750_100000757094 [0,1,0,0,0,0|1,0,2]=4 5539 B14R0.394 C=CCCCNCCCCCOC(=O)C 2230a_100000700776_100009813381 [0,1,0,0,0,0|0,0,2]=3 5540 B14R0.394 C=CCCCNCCCCCOC(=O)C 34a_100000700776_100000033007 [0,1,0,0,0,0|0,0,2]=3 5541 B14R0.394 C=CCCCNCCOCCOC(=O)C 2230a_100000700776_200000083610 [0,1,0,0,0,0|1,0,2]=4 5542 B14R0.394 C=CCCCNCCOCCOC(=O)C 34a_100000700776_200000083610 [0,1,0,0,0,0|1,0,2]=4 5543 B14R0.394 C=CCCCOCCCCCOC(=O)C 34a_100000758997_100000033007 [0,1,0,0,0,0|0,0,2]=3 5544 B14R0.394 C=CCCCOCCCCCOC(=O)C 7a_100000758997_100000033007 [0,1,0,0,0,0|0,0,2]=3 5545 B14R0.394 C=CCCCOCCOCCOC(=O)C 34a_100000758997_200000083610 [0,1,0,0,0,0|1,0,2]=4 5546 B14R0.394 C=CCCCOCCOCCOC(=O)C 7a_100000758997_200000083610 [0,1,0,0,0,0|1,0,2]=4 5547 B14R0.394 C=CCCCSCCCCCOC(=O)C 62a_100000033007_100000757094 [0,1,0,0,0,0|0,0,2]=3 5548 B14R0.394 C=CCCCSCCCCCOC(=O)C 62a_100011713584_100000033007 [0,1,0,0,0,0|0,0,2]=3 5549 B14R0.394 C=CCCCSCCOCCOC(=O)C 62a_100011713584_200000083610 [0,1,0,0,0,0|1,0,2]=4 5550 B14R0.394 C=CCCCSCCOCCOC(=O)C 62a_200000083610_100000757094 [0,1,0,0,0,0|1,0,2]=4 5551 B14R0.394 C=CCCNCCCCCCNC(=O)C 2230a_200011996284_100000754431 [0,1,0,0,0,0|1,0,2]=4 5552 B14R0.394 C=CCCNCCCCCCNC(=O)C 34a_200011996284_100000754431 [0,1,0,0,0,0|1,0,2]=4 5553 B14R0.394 C=CCOCCOCCCCOC(=O)C 34a_100000037705_100000033659 [0,1,0,0,0,0|1,0,2]=4 5554 B14R0.394 C=CCOCCOCCCCOC(=O)C 7a_100000037705_100000033659 [0,1,0,0,0,0|1,0,2]=4 5555 B14R0.394 C=COCCCCOCCCOC(=O)C 34a_100000031558_100000042594 [0,1,0,0,0,0|1,0,2]=4 5556 B14R0.394 C=COCCCCOCCCOC(=O)C 7a_100000031558_100000042594 [0,1,0,0,0,0|1,0,2]=4 5557 B14R0.394 C=COCCCNCCCCOC(=O)C 34a_100000210767_100000033659 [0,1,0,0,0,0|1,0,2]=4 5558 B14R0.394 C=COCCOCCCCCOC(=O)C 34a_100000033082_100000033007 [0,1,0,0,0,0|1,0,2]=4 5559 B14R0.394 C=COCCSCCCCCOC(=O)C 62a_100000033007_100000039644 [0,1,0,0,0,0|1,0,2]=4 5560 B14R0.394 C=COCCSCCCCCOC(=O)C 62a_100000039644_100000033007 [0,1,0,0,0,0|1,0,2]=4 5561 B14R0.394 CC#CCCOCCCCCOC(=O)C 34a_100000750427_100000033007 [0,1,0,0,0,0|0,0,2]=3 5562 B14R0.394 CC#CCCOCCOCCOC(=O)C 34a_100000750427_200000083610 [0,1,0,0,0,0|1,0,2]=4 5563 B14R0.394 CC#CCNCCCCCCNC(=O)C 2230a_200011996284_100000748600 [0,1,0,0,0,0|1,0,2]=4 5564 B14R0.394 CC#CCNCCCCCCNC(=O)C 34a_200011996284_100000748600 [0,1,0,0,0,0|1,0,2]=4 5565 B14R0.394 CC(=CCCNCCCCCCCO)C 2230a_100011996573_100011217483 [0,1,0,0,0,0|3,0,0]=4 5566 B14R0.394 CC(=CCCNCCCCCCCO)C 34a_100011996573_100011217483 [0,1,0,0,0,0|3,0,0]=4 5567 B14R0.394 CC(=CCCOCCCCCCCBr)C 34a_100000760002_100011217483 [0,1,0,0,0,0|3,0,0]=4 5568 B14R0.394 CC(=CCCOCCCCCCCBr)C 7a_100000760002_100011217483 [0,1,0,0,0,0|3,0,0]=4 5569 B14R0.394 CC(=CCCOCCCCCCCN)C 34a_100011996573_100011217483 [0,1,0,0,0,0|3,0,0]=4 5570 B14R0.394 CC(=CCCSCCCCCCCO)C 62a_100000760002_100011217483 [0,1,0,0,0,0|3,0,0]=4 5571 B14R0.394 CC(=CCCSCCCCCCCO)C 62a_100011217483_100000760002 [0,1,0,0,0,0|3,0,0]=4 5572 B14R0.394 CC(=CCNCCCCCCCCO)C 2230a_102515433106_100000761012 [0,1,0,0,0,0|3,0,0]=4 5573 B14R0.394 CC(=CCNCCCCCCCCO)C 34a_100000718196_100000033203 [0,1,0,0,0,0|3,0,0]=4 5574 B14R0.394 CC(=CCNCCCCCCCCO)C 34a_102515433106_100000761012 [0,1,0,0,0,0|3,0,0]=4 5575 B14R0.394 CC(=CCOCCCCCCCCBr)C 34a_100009813846_100000761012 [0,1,0,0,0,0|3,0,0]=4 5576 B14R0.394 CC(=CCOCCCCCCCCBr)C 7a_100009813846_100000761012 [0,1,0,0,0,0|3,0,0]=4 5577 B14R0.394 CC(=CCOCCCCCCCCCl)C 34a_100000033203_100000761012 [0,1,0,0,0,0|3,0,0]=4 5578 B14R0.394 CC(=CCOCCCCCCCCCl)C 7a_100000033203_100000761012 [0,1,0,0,0,0|3,0,0]=4 5579 B14R0.394 CC(=CCOCCCCCCCCN)C 34a_102515433106_100000761012 [0,1,0,0,0,0|3,0,0]=4 5580 B14R0.394 CC(=CCOCCCCCCCCO)C 34a_100000753907_100000033203 [0,1,0,0,0,0|3,0,0]=4 5581 B14R0.394 CC(=CCSCCCCCCCCO)C 62a_100000033203_100000761012 [0,1,0,0,0,0|3,0,0]=4 5582 B14R0.394 CC(=CCSCCCCCCCCO)C 62a_100000761012_100000033203 [0,1,0,0,0,0|3,0,0]=4 5583 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [0,1,0,0,0,0|1,0,0]=2 5584 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [0,1,0,0,0,0|2,0,0]=3 5585 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [0,1,0,0,0,0|2,0,0]=3 5586 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [0,1,0,0,0,0|2,0,0]=3 5587 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [0,1,0,0,0,0|2,0,0]=3 5588 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [0,1,0,0,0,0|2,0,0]=3 5589 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [0,1,0,0,0,0|2,0,0]=3 5590 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [0,1,0,0,0,0|2,0,0]=3 5591 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [0,1,0,0,0,0|2,0,0]=3 5592 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100000735457_100009813376 [0,1,0,0,0,0|2,0,1]=4 5593 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100009813376_100000735457 [0,1,0,0,0,0|2,0,1]=4 5594 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000139337_100000735457 [0,1,0,0,0,0|2,0,1]=4 5595 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000735457_100000139337 [0,1,0,0,0,0|2,0,1]=4 5596 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [0,1,0,0,0,0|2,0,0]=3 5597 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [0,1,0,0,0,0|2,0,0]=3 5598 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [0,1,0,0,0,0|2,0,0]=3 5599 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [0,1,0,0,0,0|2,0,0]=3 5600 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [0,1,0,0,0,0|2,0,0]=3 5601 B14R0.394 CC(=O)CCCNCCCOCCCO 34a_100011310245_100000685027 [0,1,0,0,0,0|3,0,0]=4 5602 B14R0.394 CC(=O)CCCOCCCCCCC#N 7a_100000759063_100009813337 [0,1,0,0,0,0|2,0,1]=4 5603 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [0,1,0,0,0,0|2,0,0]=3 5604 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [0,1,0,0,0,0|2,0,0]=3 5605 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [0,1,0,0,0,0|2,0,0]=3 5606 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [0,1,0,0,0,0|2,0,0]=3 5607 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [0,1,0,0,0,0|2,0,0]=3 5608 B14R0.394 CC(=O)CCCOCCCOCCCN 34a_100011310245_100000685027 [0,1,0,0,0,0|3,0,0]=4 5609 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100009813337_100011215641 [0,1,0,0,0,0|2,0,1]=4 5610 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100011215641_100009813337 [0,1,0,0,0,0|2,0,1]=4 5611 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [0,1,0,0,0,0|2,0,0]=3 5612 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [0,1,0,0,0,0|2,0,0]=3 5613 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [0,1,0,0,0,0|2,0,0]=3 5614 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [0,1,0,0,0,0|2,0,0]=3 5615 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [0,1,0,0,0,0|2,0,0]=3 5616 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [0,1,0,0,0,0|2,0,0]=3 5617 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [0,1,0,0,0,0|2,0,0]=3 5618 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [0,1,0,0,0,0|2,0,0]=3 5619 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [0,1,0,0,0,0|1,0,0]=2 5620 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [0,1,0,0,0,0|1,0,0]=2 5621 B14R0.394 CC(=O)NCCCCCCNCCC#N 2230a_200011996284_100011215226 [0,1,0,0,0,0|2,0,1]=4 5622 B14R0.394 CC(=O)NCCCCCCNCCCF 2230a_200011996284_100011934791 [0,1,0,0,0,0|2,0,0]=3 5623 B14R0.394 CC(=O)NCCCCCCNCCCF 34a_200011996284_100011934791 [0,1,0,0,0,0|2,0,0]=3 5624 B14R0.394 CC(=O)NCCCCCCNCCCO 2230a_200011996284_100000230001 [0,1,0,0,0,0|2,0,0]=3 5625 B14R0.394 CC(=O)NCCCCCCNCCCO 34a_200011996284_100000230001 [0,1,0,0,0,0|2,0,0]=3 5626 B14R0.394 CC(=O)NCCCCCNCCCC#N 2230a_200012022750_100000687738 [0,1,0,0,0,0|2,0,1]=4 5627 B14R0.394 CC(=O)NCCCCCNCCCC=O 2230a_200012022750_200011292268 [0,1,0,0,0,0|2,0,1]=4 5628 B14R0.394 CC(=O)NCCCCCNCCCCF 2230a_200012022750_100000729493 [0,1,0,0,0,0|2,0,0]=3 5629 B14R0.394 CC(=O)NCCCCCNCCCCF 34a_200012022750_100000729493 [0,1,0,0,0,0|2,0,0]=3 5630 B14R0.394 CC(=O)NCCCCCNCCCCO 2230a_200012022750_100000210776 [0,1,0,0,0,0|2,0,0]=3 5631 B14R0.394 CC(=O)NCCCCCNCCCCO 34a_200012022750_100011216708 [0,1,0,0,0,0|2,0,0]=3 5632 B14R0.394 CC(=O)NCCCCNCCCCC#N 2230a_200011368371_100000211819 [0,1,0,0,0,0|2,0,1]=4 5633 B14R0.394 CC(=O)NCCCCNCCCCC=O 2230a_200011368371_100000139335 [0,1,0,0,0,0|2,0,1]=4 5634 B14R0.394 CC(=O)NCCCCNCCCCCF 2230a_200011368371_100000729378 [0,1,0,0,0,0|2,0,0]=3 5635 B14R0.394 CC(=O)NCCCCNCCCCCF 34a_200011368371_100000729378 [0,1,0,0,0,0|2,0,0]=3 5636 B14R0.394 CC(=O)NCCCCNCCCCCO 2230a_200011368371_100000746330 [0,1,0,0,0,0|2,0,0]=3 5637 B14R0.394 CC(=O)NCCCCNCCCCCO 34a_200011368371_100000746330 [0,1,0,0,0,0|2,0,0]=3 5638 B14R0.394 CC(=O)NCCCCNCCOCCO 2230a_200011368371_100011215305 [0,1,0,0,0,0|3,0,0]=4 5639 B14R0.394 CC(=O)NCCCCNCCOCCO 34a_200011368371_100000692535 [0,1,0,0,0,0|3,0,0]=4 5640 B14R0.394 CC(=O)NCCCNCCCCCCF 34a_100000736810_100015922095 [0,1,0,0,0,0|2,0,0]=3 5641 B14R0.394 CC(=O)NCCCNCCCCCCO 34a_100000736810_100000766143 [0,1,0,0,0,0|2,0,0]=3 5642 B14R0.394 CC(=O)NCCCOCCCCCCF 34a_100000752032_100015922095 [0,1,0,0,0,0|2,0,0]=3 5643 B14R0.394 CC(=O)NCCCOCCCCCCO 34a_100000752032_100000766143 [0,1,0,0,0,0|2,0,0]=3 5644 B14R0.394 CC(=O)NCCNCCCCCCC#N 2230a_100000209853_100009813337 [0,1,0,0,0,0|2,0,1]=4 5645 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100000209853_100000760002 [0,1,0,0,0,0|2,0,0]=3 5646 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100011996573_100000189650 [0,1,0,0,0,0|2,0,0]=3 5647 B14R0.394 CC(=O)NCCNCCCOCCCO 2230a_100011310245_100000189650 [0,1,0,0,0,0|3,0,0]=4 5648 B14R0.394 CC(=O)NCCOCCCCCCCBr 7a_100000760002_100000189650 [0,1,0,0,0,0|2,0,0]=3 5649 B14R0.394 CC(=O)NCCOCCCCCCCO 34a_100000158858_100000760002 [0,1,0,0,0,0|2,0,0]=3 5650 B14R0.394 CC(=O)NCCSCCCCCCC#N 62a_100000189650_100009813337 [0,1,0,0,0,0|2,0,1]=4 5651 B14R0.394 CC(=O)NCCSCCCCCCC#N 62a_100009813337_100000189650 [0,1,0,0,0,0|2,0,1]=4 5652 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000189650_100000760002 [0,1,0,0,0,0|2,0,0]=3 5653 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000760002_100000189650 [0,1,0,0,0,0|2,0,0]=3 5654 B14R0.394 CC(=O)OCCCCCNCCCCO 2230a_100000750430_100009813381 [0,1,0,0,0,0|1,0,0]=2 5655 B14R0.394 CC(=O)OCCCCCNCCCCO 34a_100000750430_100000033007 [0,1,0,0,0,0|1,0,0]=2 5656 B14R0.394 CC(=O)OCCCCCOCC#CCCl 34a_200000047223_100000033007 [0,1,0,0,0,0|1,0,2]=4 5657 B14R0.394 CC(=O)OCCCCCOCCCCBr 34a_100011216708_100000033007 [0,1,0,0,0,0|1,0,0]=2 5658 B14R0.394 CC(=O)OCCCCCOCCCCCl 34a_100000210776_100000033007 [0,1,0,0,0,0|1,0,0]=2 5659 B14R0.394 CC(=O)OCCCCCOCCCCCl 7a_100000210776_100000033007 [0,1,0,0,0,0|1,0,0]=2 5660 B14R0.394 CC(=O)OCCCCCOCCCCF 34a_100011995726_100000033007 [0,1,0,0,0,0|1,0,0]=2 5661 B14R0.394 CC(=O)OCCCCCOCCCCF 7a_100011995726_100000033007 [0,1,0,0,0,0|1,0,0]=2 5662 B14R0.394 CC(=O)OCCCCCOCCCCI 34a_200012148704_100000033007 [0,1,0,0,0,0|1,0,0]=2 5663 B14R0.394 CC(=O)OCCCCCOCCCCN 34a_100000750430_100000033007 [0,1,0,0,0,0|1,0,0]=2 5664 B14R0.394 CC(=O)OCCCCCSCC#CCO 62a_100000033007_200000047223 [0,1,0,0,0,0|1,0,2]=4 5665 B14R0.394 CC(=O)OCCCCCSCC#CCO 62a_200000047223_100000033007 [0,1,0,0,0,0|1,0,2]=4 5666 B14R0.394 CC(=O)OCCCCCSCCCC#N 62a_100000033007_100000687738 [0,1,0,0,0,0|1,0,1]=3 5667 B14R0.394 CC(=O)OCCCCCSCCCC#N 62a_100000687738_100000033007 [0,1,0,0,0,0|1,0,1]=3 5668 B14R0.394 CC(=O)OCCCCCSCCCC=O 62a_100000033007_200011292268 [0,1,0,0,0,0|1,0,1]=3 5669 B14R0.394 CC(=O)OCCCCCSCCCC=O 62a_200011292268_100000033007 [0,1,0,0,0,0|1,0,1]=3 5670 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000033007_100000729493 [0,1,0,0,0,0|1,0,0]=2 5671 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000729493_100000033007 [0,1,0,0,0,0|1,0,0]=2 5672 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000033007_100000210776 [0,1,0,0,0,0|1,0,0]=2 5673 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000210776_100000033007 [0,1,0,0,0,0|1,0,0]=2 5674 B14R0.394 CC(=O)OCCCCCSCCSC#N 62a_100000033007_100000034367 [0,1,0,0,0,0|2,0,1]=4 5675 B14R0.394 CC(=O)OCCCCCSCCSC#N 62a_100000034367_100000033007 [0,1,0,0,0,0|2,0,1]=4 5676 B14R0.394 CC(=O)OCCCCNCCCCCO 34a_100000762737_100000033659 [0,1,0,0,0,0|1,0,0]=2 5677 B14R0.394 CC(=O)OCCCCNCCOCCO 34a_100000211614_100000033659 [0,1,0,0,0,0|2,0,0]=3 5678 B14R0.394 CC(=O)OCCCCOCCCCC#N 7a_100000073216_100000211819 [0,1,0,0,0,0|1,0,1]=3 5679 B14R0.394 CC(=O)OCCCCOCCCCC=O 7a_100000073216_100000139335 [0,1,0,0,0,0|1,0,1]=3 5680 B14R0.394 CC(=O)OCCCCOCCCCCBr 34a_100000746331_100000033659 [0,1,0,0,0,0|1,0,0]=2 5681 B14R0.394 CC(=O)OCCCCOCCCCCBr 7a_100000746331_100000033659 [0,1,0,0,0,0|1,0,0]=2 5682 B14R0.394 CC(=O)OCCCCOCCCCCCl 34a_100000746330_100000033659 [0,1,0,0,0,0|1,0,0]=2 5683 B14R0.394 CC(=O)OCCCCOCCCCCCl 7a_100000746330_100000033659 [0,1,0,0,0,0|1,0,0]=2 5684 B14R0.394 CC(=O)OCCCCOCCCCCF 34a_100000073216_100000729378 [0,1,0,0,0,0|1,0,0]=2 5685 B14R0.394 CC(=O)OCCCCOCCCCCF 7a_100000073216_100000729378 [0,1,0,0,0,0|1,0,0]=2 5686 B14R0.394 CC(=O)OCCCCOCCCCCI 34a_200012148887_100000033659 [0,1,0,0,0,0|1,0,0]=2 5687 B14R0.394 CC(=O)OCCCCOCCCCCI 7a_200012148887_100000033659 [0,1,0,0,0,0|1,0,0]=2 5688 B14R0.394 CC(=O)OCCCCOCCCCCN 34a_100000762737_100000033659 [0,1,0,0,0,0|1,0,0]=2 5689 B14R0.394 CC(=O)OCCCCOCCCCCO 34a_100000073216_100000746330 [0,1,0,0,0,0|1,0,0]=2 5690 B14R0.394 CC(=O)OCCCCOCCCCCO 7a_100000073216_100000746330 [0,1,0,0,0,0|1,0,0]=2 5691 B14R0.394 CC(=O)OCCCCOCCOCC#N 7a_100000073216_200000047693 [0,1,0,0,0,0|2,0,1]=4 5692 B14R0.394 CC(=O)OCCCCOCCOCCBr 34a_100000692535_100000033659 [0,1,0,0,0,0|2,0,0]=3 5693 B14R0.394 CC(=O)OCCCCOCCOCCBr 7a_100000692535_100000033659 [0,1,0,0,0,0|2,0,0]=3 5694 B14R0.394 CC(=O)OCCCCOCCOCCCl 34a_100011215305_100000033659 [0,1,0,0,0,0|2,0,0]=3 5695 B14R0.394 CC(=O)OCCCCOCCOCCCl 7a_100011215305_100000033659 [0,1,0,0,0,0|2,0,0]=3 5696 B14R0.394 CC(=O)OCCCCOCCOCCF 34a_200015357709_100000033659 [0,1,0,0,0,0|2,0,0]=3 5697 B14R0.394 CC(=O)OCCCCOCCOCCF 7a_200015357709_100000033659 [0,1,0,0,0,0|2,0,0]=3 5698 B14R0.394 CC(=O)OCCCCOCCOCCI 34a_100012149058_100000033659 [0,1,0,0,0,0|2,0,0]=3 5699 B14R0.394 CC(=O)OCCCCOCCOCCI 7a_100012149058_100000033659 [0,1,0,0,0,0|2,0,0]=3 5700 B14R0.394 CC(=O)OCCCCOCCOCCN 34a_100000211614_100000033659 [0,1,0,0,0,0|2,0,0]=3 5701 B14R0.394 CC(=O)OCCCCOCCOCCO 34a_100000073216_100000692535 [0,1,0,0,0,0|2,0,0]=3 5702 B14R0.394 CC(=O)OCCCCOCCOCCO 7a_100000073216_100011215305 [0,1,0,0,0,0|2,0,0]=3 5703 B14R0.394 CC(=O)OCCCCSCCCCC#N 62a_100000033659_100000211819 [0,1,0,0,0,0|1,0,1]=3 5704 B14R0.394 CC(=O)OCCCCSCCCCC#N 62a_100011219923_100000033659 [0,1,0,0,0,0|1,0,1]=3 5705 B14R0.394 CC(=O)OCCCCSCCCCC=O 62a_100000033659_100000139335 [0,1,0,0,0,0|1,0,1]=3 5706 B14R0.394 CC(=O)OCCCCSCCCCC=O 62a_100000139335_100000033659 [0,1,0,0,0,0|1,0,1]=3 5707 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000033659_100000729378 [0,1,0,0,0,0|1,0,0]=2 5708 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000729378_100000033659 [0,1,0,0,0,0|1,0,0]=2 5709 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000033659_100000746330 [0,1,0,0,0,0|1,0,0]=2 5710 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000746330_100000033659 [0,1,0,0,0,0|1,0,0]=2 5711 B14R0.394 CC(=O)OCCCCSCCOCC#N 62a_100000033659_200000047693 [0,1,0,0,0,0|2,0,1]=4 5712 B14R0.394 CC(=O)OCCCCSCCOCC#N 62a_200000047693_100000033659 [0,1,0,0,0,0|2,0,1]=4 5713 B14R0.394 CC(=O)OCCCCSCCOCCO 62a_100000033659_100011215305 [0,1,0,0,0,0|2,0,0]=3 5714 B14R0.394 CC(=O)OCCCCSCCOCCO 62a_100011215305_100000033659 [0,1,0,0,0,0|2,0,0]=3 5715 B14R0.394 CC(=O)OCCCNCCCCCCO 34a_100000686447_100000042594 [0,1,0,0,0,0|1,0,0]=2 5716 B14R0.394 CC(=O)OCCCOCCCCCCBr 34a_100011215345_100000042594 [0,1,0,0,0,0|1,0,0]=2 5717 B14R0.394 CC(=O)OCCCOCCCCCCBr 7a_100011215345_100000042594 [0,1,0,0,0,0|1,0,0]=2 5718 B14R0.394 CC(=O)OCCCOCCCCCCCl 34a_100000766143_100000042594 [0,1,0,0,0,0|1,0,0]=2 5719 B14R0.394 CC(=O)OCCCOCCCCCCCl 7a_100000766143_100000042594 [0,1,0,0,0,0|1,0,0]=2 5720 B14R0.394 CC(=O)OCCCOCCCCCCF 34a_100000732779_100000042594 [0,1,0,0,0,0|1,0,0]=2 5721 B14R0.394 CC(=O)OCCCOCCCCCCF 7a_100000732779_100000042594 [0,1,0,0,0,0|1,0,0]=2 5722 B14R0.394 CC(=O)OCCCOCCCCCCN 34a_100000686447_100000042594 [0,1,0,0,0,0|1,0,0]=2 5723 B14R0.394 CC(=O)OCCCSCCCCCC#N 62a_100000042594_100009813376 [0,1,0,0,0,0|1,0,1]=3 5724 B14R0.394 CC(=O)OCCCSCCCCCC#N 62a_100009813376_100000042594 [0,1,0,0,0,0|1,0,1]=3 5725 B14R0.394 CC(=O)OCCCSCCCCCC=O 62a_100000042594_100000139337 [0,1,0,0,0,0|1,0,1]=3 5726 B14R0.394 CC(=O)OCCCSCCCCCC=O 62a_100000139337_100000042594 [0,1,0,0,0,0|1,0,1]=3 5727 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100000042594_100015922095 [0,1,0,0,0,0|1,0,0]=2 5728 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100015922095_100000042594 [0,1,0,0,0,0|1,0,0]=2 5729 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000042594_100000766143 [0,1,0,0,0,0|1,0,0]=2 5730 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000766143_100000042594 [0,1,0,0,0,0|1,0,0]=2 5731 B14R0.394 CC(=O)OCCNCCCCCCCO 34a_100011996573_100009814007 [0,1,0,0,0,0|1,0,0]=2 5732 B14R0.394 CC(=O)OCCNCCCOCCCO 34a_100011310245_100009814007 [0,1,0,0,0,0|2,0,0]=3 5733 B14R0.394 CC(=O)OCCOCCCCCCCBr 34a_100000760002_100009814007 [0,1,0,0,0,0|1,0,0]=2 5734 B14R0.394 CC(=O)OCCOCCCCCCCBr 7a_100000760002_100009814007 [0,1,0,0,0,0|1,0,0]=2 5735 B14R0.394 CC(=O)OCCOCCCCCCCN 34a_100011996573_100009814007 [0,1,0,0,0,0|1,0,0]=2 5736 B14R0.394 CC(=O)OCCOCCCOCCCN 34a_100011310245_100009814007 [0,1,0,0,0,0|2,0,0]=3 5737 B14R0.394 CC(=O)OCCOCCNCCCCO 2230a_100000750430_200000083610 [0,1,0,0,0,0|2,0,0]=3 5738 B14R0.394 CC(=O)OCCOCCNCCCCO 34a_100000750430_200000083610 [0,1,0,0,0,0|2,0,0]=3 5739 B14R0.394 CC(=O)OCCOCCOCCCCBr 34a_100011216708_200000083610 [0,1,0,0,0,0|2,0,0]=3 5740 B14R0.394 CC(=O)OCCOCCOCCCCCl 34a_100000210776_200000083610 [0,1,0,0,0,0|2,0,0]=3 5741 B14R0.394 CC(=O)OCCOCCOCCCCCl 7a_100000210776_200000083610 [0,1,0,0,0,0|2,0,0]=3 5742 B14R0.394 CC(=O)OCCOCCOCCCCF 34a_100011995726_200000083610 [0,1,0,0,0,0|2,0,0]=3 5743 B14R0.394 CC(=O)OCCOCCOCCCCF 7a_100011995726_200000083610 [0,1,0,0,0,0|2,0,0]=3 5744 B14R0.394 CC(=O)OCCOCCOCCCCI 34a_200012148704_200000083610 [0,1,0,0,0,0|2,0,0]=3 5745 B14R0.394 CC(=O)OCCOCCOCCCCN 34a_100000750430_200000083610 [0,1,0,0,0,0|2,0,0]=3 5746 B14R0.394 CC(=O)OCCOCCSCCCC#N 62a_100000687738_200000083610 [0,1,0,0,0,0|2,0,1]=4 5747 B14R0.394 CC(=O)OCCOCCSCCCC#N 62a_200000083610_100000687738 [0,1,0,0,0,0|2,0,1]=4 5748 B14R0.394 CC(=O)OCCOCCSCCCC=O 62a_200000083610_200011292268 [0,1,0,0,0,0|2,0,1]=4 5749 B14R0.394 CC(=O)OCCOCCSCCCC=O 62a_200011292268_200000083610 [0,1,0,0,0,0|2,0,1]=4 5750 B14R0.394 CC(=O)OCCOCCSCCCCF 62a_100000729493_200000083610 [0,1,0,0,0,0|2,0,0]=3 5751 B14R0.394 CC(=O)OCCOCCSCCCCF 62a_200000083610_100000729493 [0,1,0,0,0,0|2,0,0]=3 5752 B14R0.394 CC(=O)OCCOCCSCCCCO 62a_100000210776_200000083610 [0,1,0,0,0,0|2,0,0]=3 5753 B14R0.394 CC(=O)OCCOCCSCCCCO 62a_200000083610_100000210776 [0,1,0,0,0,0|2,0,0]=3 5754 B14R0.394 CC(=O)OCCOCNCCCCCO 34a_100000762737_100000076355 [0,1,0,0,0,0|2,0,0]=3 5755 B14R0.394 CC(=O)OCCOCNCCOCCO 34a_100000211614_100000076355 [0,1,0,0,0,0|3,0,0]=4 5756 B14R0.394 CC(=O)OCCOCOCCCCCBr 34a_100000746331_100000076355 [0,1,0,0,0,0|2,0,0]=3 5757 B14R0.394 CC(=O)OCCOCOCCCCCCl 34a_100000746330_100000076355 [0,1,0,0,0,0|2,0,0]=3 5758 B14R0.394 CC(=O)OCCOCOCCCCCI 34a_200012148887_100000076355 [0,1,0,0,0,0|2,0,0]=3 5759 B14R0.394 CC(=O)OCCOCOCCCCCN 34a_100000762737_100000076355 [0,1,0,0,0,0|2,0,0]=3 5760 B14R0.394 CC(=O)OCCOCOCCOCCBr 34a_100000692535_100000076355 [0,1,0,0,0,0|3,0,0]=4 5761 B14R0.394 CC(=O)OCCOCOCCOCCCl 34a_100011215305_100000076355 [0,1,0,0,0,0|3,0,0]=4 5762 B14R0.394 CC(=O)OCCOCOCCOCCF 34a_200015357709_100000076355 [0,1,0,0,0,0|3,0,0]=4 5763 B14R0.394 CC(=O)OCCOCOCCOCCI 34a_100012149058_100000076355 [0,1,0,0,0,0|3,0,0]=4 5764 B14R0.394 CC(=O)OCCOCOCCOCCN 34a_100000211614_100000076355 [0,1,0,0,0,0|3,0,0]=4 5765 B14R0.394 CC(=O)OCCOCSCCCCC#N 62a_100000076355_100000211819 [0,1,0,0,0,0|2,0,1]=4 5766 B14R0.394 CC(=O)OCCOCSCCCCC#N 62a_100011219923_100000076355 [0,1,0,0,0,0|2,0,1]=4 5767 B14R0.394 CC(=O)OCCOCSCCCCC=O 62a_100000076355_100000139335 [0,1,0,0,0,0|2,0,1]=4 5768 B14R0.394 CC(=O)OCCOCSCCCCC=O 62a_100000139335_100000076355 [0,1,0,0,0,0|2,0,1]=4 5769 B14R0.394 CC(=O)OCCOCSCCCCCF 62a_100000076355_100000729378 [0,1,0,0,0,0|2,0,0]=3 5770 B14R0.394 CC(=O)OCCOCSCCCCCF 62a_100000729378_100000076355 [0,1,0,0,0,0|2,0,0]=3 5771 B14R0.394 CC(=O)OCCOCSCCCCCO 62a_100000076355_100000746330 [0,1,0,0,0,0|2,0,0]=3 5772 B14R0.394 CC(=O)OCCOCSCCCCCO 62a_100000746330_100000076355 [0,1,0,0,0,0|2,0,0]=3 5773 B14R0.394 CC(=O)OCCOCSCCOCCO 62a_100000076355_100011215305 [0,1,0,0,0,0|3,0,0]=4 5774 B14R0.394 CC(=O)OCCOCSCCOCCO 62a_100011215305_100000076355 [0,1,0,0,0,0|3,0,0]=4 5775 B14R0.394 CC(=O)OCCSCCCCCCC#N 62a_100009813337_100009814007 [0,1,0,0,0,0|1,0,1]=3 5776 B14R0.394 CC(=O)OCCSCCCCCCC#N 62a_100009814007_100009813337 [0,1,0,0,0,0|1,0,1]=3 5777 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100000760002_100009814007 [0,1,0,0,0,0|1,0,0]=2 5778 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100009814007_100000760002 [0,1,0,0,0,0|1,0,0]=2 5779 B14R0.394 CC(=O)OCNCCCCCCCCO 34a_102515433106_100009813279 [0,1,0,0,0,0|1,0,0]=2 5780 B14R0.394 CC(=O)OCNCCOCCOCCO 34a_100011998139_100009813279 [0,1,0,0,0,0|3,0,0]=4 5781 B14R0.394 CC(=O)OCOCCCCCCCCBr 34a_100009813846_100009813279 [0,1,0,0,0,0|1,0,0]=2 5782 B14R0.394 CC(=O)OCOCCCCCCCCCl 34a_100000033203_100009813279 [0,1,0,0,0,0|1,0,0]=2 5783 B14R0.394 CC(=O)OCOCCCCCCCCN 34a_102515433106_100009813279 [0,1,0,0,0,0|1,0,0]=2 5784 B14R0.394 CC(=O)OCOCCCCCNCCN 34a_103619048469_100009813279 [0,1,0,0,0,0|2,0,0]=3 5785 B14R0.394 CC(=O)OCOCCOCCOCCBr 34a_100010132937_100009813279 [0,1,0,0,0,0|3,0,0]=4 5786 B14R0.394 CC(=O)OCOCCOCCOCCCl 34a_100000032323_100009813279 [0,1,0,0,0,0|3,0,0]=4 5787 B14R0.394 CC(=O)OCOCCOCCOCCN 34a_100011998139_100009813279 [0,1,0,0,0,0|3,0,0]=4 5788 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000033203_100000076356 [0,1,0,0,0,0|1,0,0]=2 5789 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000076356_100000033203 [0,1,0,0,0,0|1,0,0]=2 5790 B14R0.394 CC(=O)OCSCCOCCOCCO 62a_100000032323_100000076356 [0,1,0,0,0,0|3,0,0]=4 5791 B14R0.394 CC(=O)OCSCCOCCOCCO 62a_100000076356_100000032323 [0,1,0,0,0,0|3,0,0]=4 5792 B14R0.394 CC(=O)SCCCCNCCCCCO 2230a_100000762737_200010402107 [0,1,0,0,0,0|1,1,0]=3 5793 B14R0.394 CC(=O)SCCCCNCCCCCO 34a_100000762737_200010402107 [0,1,0,0,0,0|1,1,0]=3 5794 B14R0.394 CC(=O)SCCCCNCCOCCO 2230a_100000211614_200010402107 [0,1,0,0,0,0|2,1,0]=4 5795 B14R0.394 CC(=O)SCCCCNCCOCCO 34a_100000211614_200010402107 [0,1,0,0,0,0|2,1,0]=4 5796 B14R0.394 CC(=O)SCCCCNCCSCCO 2230a_100011219999_200010402107 [0,1,0,0,0,0|2,1,0]=4 5797 B14R0.394 CC(=O)SCCCCOCCCCCBr 34a_100000746331_200010402107 [0,1,0,0,0,0|1,1,0]=3 5798 B14R0.394 CC(=O)SCCCCOCCCCCBr 7a_100000746331_200010402107 [0,1,0,0,0,0|1,1,0]=3 5799 B14R0.394 CC(=O)SCCCCOCCCCCCl 34a_100000746330_200010402107 [0,1,0,0,0,0|1,1,0]=3 5800 B14R0.394 CC(=O)SCCCCOCCCCCCl 7a_100000746330_200010402107 [0,1,0,0,0,0|1,1,0]=3 5801 B14R0.394 CC(=O)SCCCCOCCCCCI 34a_200012148887_200010402107 [0,1,0,0,0,0|1,1,0]=3 5802 B14R0.394 CC(=O)SCCCCOCCCCCI 7a_200012148887_200010402107 [0,1,0,0,0,0|1,1,0]=3 5803 B14R0.394 CC(=O)SCCCCOCCCCCN 34a_100000762737_200010402107 [0,1,0,0,0,0|1,1,0]=3 5804 B14R0.394 CC(=O)SCCCCOCCOCCBr 34a_100000692535_200010402107 [0,1,0,0,0,0|2,1,0]=4 5805 B14R0.394 CC(=O)SCCCCOCCOCCBr 7a_100000692535_200010402107 [0,1,0,0,0,0|2,1,0]=4 5806 B14R0.394 CC(=O)SCCCCOCCOCCCl 34a_100011215305_200010402107 [0,1,0,0,0,0|2,1,0]=4 5807 B14R0.394 CC(=O)SCCCCOCCOCCCl 7a_100011215305_200010402107 [0,1,0,0,0,0|2,1,0]=4 5808 B14R0.394 CC(=O)SCCCCOCCOCCF 34a_200015357709_200010402107 [0,1,0,0,0,0|2,1,0]=4 5809 B14R0.394 CC(=O)SCCCCOCCOCCF 7a_200015357709_200010402107 [0,1,0,0,0,0|2,1,0]=4 5810 B14R0.394 CC(=O)SCCCCOCCOCCI 34a_100012149058_200010402107 [0,1,0,0,0,0|2,1,0]=4 5811 B14R0.394 CC(=O)SCCCCOCCOCCI 7a_100012149058_200010402107 [0,1,0,0,0,0|2,1,0]=4 5812 B14R0.394 CC(=O)SCCCCOCCOCCN 34a_100000211614_200010402107 [0,1,0,0,0,0|2,1,0]=4 5813 B14R0.394 CC(=O)SCCCCSCCCCC#N 62a_100011219923_200010402107 [0,1,0,0,0,0|1,1,1]=4 5814 B14R0.394 CC(=O)SCCCCSCCCCC#N 62a_200010402107_100000211819 [0,1,0,0,0,0|1,1,1]=4 5815 B14R0.394 CC(=O)SCCCCSCCCCC=O 62a_100000139335_200010402107 [0,1,0,0,0,0|1,1,1]=4 5816 B14R0.394 CC(=O)SCCCCSCCCCC=O 62a_200010402107_100000139335 [0,1,0,0,0,0|1,1,1]=4 5817 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_100000729378_200010402107 [0,1,0,0,0,0|1,1,0]=3 5818 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_200010402107_100000729378 [0,1,0,0,0,0|1,1,0]=3 5819 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_100000746330_200010402107 [0,1,0,0,0,0|1,1,0]=3 5820 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_200010402107_100000746330 [0,1,0,0,0,0|1,1,0]=3 5821 B14R0.394 CC(=O)SCCCCSCCOCCO 62a_100011215305_200010402107 [0,1,0,0,0,0|2,1,0]=4 5822 B14R0.394 CC(=O)SCCCCSCCOCCO 62a_200010402107_100011215305 [0,1,0,0,0,0|2,1,0]=4 5823 B14R0.394 CC(=O)SCCCNCCCCCCO 2230a_100000686447_100000038929 [0,1,0,0,0,0|1,1,0]=3 5824 B14R0.394 CC(=O)SCCCNCCCCCCO 34a_100000686447_100000038929 [0,1,0,0,0,0|1,1,0]=3 5825 B14R0.394 CC(=O)SCCCOCCCCCCBr 34a_100011215345_100000038929 [0,1,0,0,0,0|1,1,0]=3 5826 B14R0.394 CC(=O)SCCCOCCCCCCBr 7a_100011215345_100000038929 [0,1,0,0,0,0|1,1,0]=3 5827 B14R0.394 CC(=O)SCCCOCCCCCCCl 34a_100000766143_100000038929 [0,1,0,0,0,0|1,1,0]=3 5828 B14R0.394 CC(=O)SCCCOCCCCCCCl 7a_100000766143_100000038929 [0,1,0,0,0,0|1,1,0]=3 5829 B14R0.394 CC(=O)SCCCOCCCCCCF 34a_100000732779_100000038929 [0,1,0,0,0,0|1,1,0]=3 5830 B14R0.394 CC(=O)SCCCOCCCCCCF 7a_100000732779_100000038929 [0,1,0,0,0,0|1,1,0]=3 5831 B14R0.394 CC(=O)SCCCOCCCCCCN 34a_100000686447_100000038929 [0,1,0,0,0,0|1,1,0]=3 5832 B14R0.394 CC(=O)SCCCSCCCCCC#N 62a_100000038929_100009813376 [0,1,0,0,0,0|1,1,1]=4 5833 B14R0.394 CC(=O)SCCCSCCCCCC#N 62a_100009813376_100000038929 [0,1,0,0,0,0|1,1,1]=4 5834 B14R0.394 CC(=O)SCCCSCCCCCC=O 62a_100000038929_100000139337 [0,1,0,0,0,0|1,1,1]=4 5835 B14R0.394 CC(=O)SCCCSCCCCCC=O 62a_100000139337_100000038929 [0,1,0,0,0,0|1,1,1]=4 5836 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100000038929_100015922095 [0,1,0,0,0,0|1,1,0]=3 5837 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100015922095_100000038929 [0,1,0,0,0,0|1,1,0]=3 5838 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000038929_100000766143 [0,1,0,0,0,0|1,1,0]=3 5839 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000766143_100000038929 [0,1,0,0,0,0|1,1,0]=3 5840 B14R0.394 CC(=S)OCCCNCCCCCCO 2230a_100000686447_200135323944 [0,1,0,0,0,0|1,1,0]=3 5841 B14R0.394 CC(=S)OCCCNCCCCCCO 34a_100000686447_200135323944 [0,1,0,0,0,0|1,1,0]=3 5842 B14R0.394 CC(=S)OCCCOCCCCCCBr 34a_100011215345_200135323944 [0,1,0,0,0,0|1,1,0]=3 5843 B14R0.394 CC(=S)OCCCOCCCCCCBr 7a_100011215345_200135323944 [0,1,0,0,0,0|1,1,0]=3 5844 B14R0.394 CC(=S)OCCCOCCCCCCCl 34a_100000766143_200135323944 [0,1,0,0,0,0|1,1,0]=3 5845 B14R0.394 CC(=S)OCCCOCCCCCCCl 7a_100000766143_200135323944 [0,1,0,0,0,0|1,1,0]=3 5846 B14R0.394 CC(=S)OCCCOCCCCCCF 34a_100000732779_200135323944 [0,1,0,0,0,0|1,1,0]=3 5847 B14R0.394 CC(=S)OCCCOCCCCCCF 7a_100000732779_200135323944 [0,1,0,0,0,0|1,1,0]=3 5848 B14R0.394 CC(=S)OCCCOCCCCCCN 34a_100000686447_200135323944 [0,1,0,0,0,0|1,1,0]=3 5849 B14R0.394 CC(=S)OCCCSCCCCCC#N 62a_100009813376_200135323944 [0,1,0,0,0,0|1,1,1]=4 5850 B14R0.394 CC(=S)OCCCSCCCCCC#N 62a_200135323944_100009813376 [0,1,0,0,0,0|1,1,1]=4 5851 B14R0.394 CC(=S)OCCCSCCCCCC=O 62a_100000139337_200135323944 [0,1,0,0,0,0|1,1,1]=4 5852 B14R0.394 CC(=S)OCCCSCCCCCC=O 62a_200135323944_100000139337 [0,1,0,0,0,0|1,1,1]=4 5853 B14R0.394 CC(=S)OCCCSCCCCCCF 62a_100015922095_200135323944 [0,1,0,0,0,0|1,1,0]=3 5854 B14R0.394 CC(=S)OCCCSCCCCCCF 62a_200135323944_100015922095 [0,1,0,0,0,0|1,1,0]=3 5855 B14R0.394 CC(=S)OCCCSCCCCCCO 62a_100000766143_200135323944 [0,1,0,0,0,0|1,1,0]=3 5856 B14R0.394 CC(=S)OCCCSCCCCCCO 62a_200135323944_100000766143 [0,1,0,0,0,0|1,1,0]=3 5857 B14R0.394 CC(Br)COCCCCCCCCCO 34a_100012180447_100009813782 [0,1,0,0,0,0|2,0,1]=4 5858 B14R0.394 CC(C)COCCCCCCCCCBr 34a_100009813782_100000210624 [0,1,0,0,0,0|2,0,1]=4 5859 B14R0.394 CC(C)COCCCCCCCCCBr 7a_100009813782_100000210760 [0,1,0,0,0,0|2,0,1]=4 5860 B14R0.394 CC(C)COCCCCCCCCCCl 34a_100009868337_100000210624 [0,1,0,0,0,0|2,0,1]=4 5861 B14R0.394 CC(C)COCCCCCCCCCCl 7a_100009868337_100000210760 [0,1,0,0,0,0|2,0,1]=4 5862 B14R0.394 CC(C)COCCCCCCCCCN 34a_100000078944_100000210624 [0,1,0,0,0,0|2,0,1]=4 5863 B14R0.394 CC(C)COCCCCCCCCCO 34a_100000210257_100009813782 [0,1,0,0,0,0|2,0,1]=4 5864 B14R0.394 CC(C)NCCCCCCCCCCO 2230a_100000066964_100000210206 [0,1,0,0,0,0|2,0,1]=4 5865 B14R0.394 CC(C)NCCCCCCCCCCO 2230a_100138425928_100009813290 [0,1,0,0,0,0|2,0,1]=4 5866 B14R0.394 CC(C)NCCCCCCCCCCO 34a_100000066964_100000210206 [0,1,0,0,0,0|2,0,1]=4 5867 B14R0.394 CC(C)NCCCCCCCCCCO 34a_100138425928_100009813290 [0,1,0,0,0,0|2,0,1]=4 5868 B14R0.394 CC(C)OCCCCCCCCCCBr 34a_100009813290_100000210206 [0,1,0,0,0,0|1,0,1]=3 5869 B14R0.394 CC(C)OCCCCCCCCCCBr 7a_100009813290_100000210206 [0,1,0,0,0,0|1,0,1]=3 5870 B14R0.394 CC(C)OCCCCCCCCCCCl 34a_200000033068_100000210206 [0,1,0,0,0,0|1,0,1]=3 5871 B14R0.394 CC(C)OCCCCCCCCCCCl 7a_200000033068_100000210206 [0,1,0,0,0,0|1,0,1]=3 5872 B14R0.394 CC(C)OCCCCCCCCCCN 34a_100000066964_100000210206 [0,1,0,0,0,0|1,0,1]=3 5873 B14R0.394 CC(C)OCCCCCCCCCCO 34a_100000212225_100009813290 [0,1,0,0,0,0|1,0,1]=3 5874 B14R0.394 CC(C)OCCCNCCCCCCF 2230a_100000737246_100015922095 [0,1,0,0,0,0|2,0,1]=4 5875 B14R0.394 CC(C)OCCCNCCCCCCF 34a_100000737246_100015922095 [0,1,0,0,0,0|2,0,1]=4 5876 B14R0.394 CC(C)OCCCNCCCCCCO 2230a_100000737246_100000766143 [0,1,0,0,0,0|2,0,1]=4 5877 B14R0.394 CC(C)OCCCNCCCCCCO 34a_100000737246_100000766143 [0,1,0,0,0,0|2,0,1]=4 5878 B14R0.394 CC(C)OCCNCCCCCCCO 2230a_100000701111_100000760002 [0,1,0,0,0,0|2,0,1]=4 5879 B14R0.394 CC(C)OCCNCCCCCCCO 2230a_100011996573_100000211751 [0,1,0,0,0,0|2,0,1]=4 5880 B14R0.394 CC(C)OCCNCCCCCCCO 34a_100000701111_100000760002 [0,1,0,0,0,0|2,0,1]=4 5881 B14R0.394 CC(C)OCCNCCCCCCCO 34a_100011996573_100000211751 [0,1,0,0,0,0|2,0,1]=4 5882 B14R0.394 CC(C)OCCOCCCCCCCBr 34a_100000760002_100000211751 [0,1,0,0,0,0|2,0,1]=4 5883 B14R0.394 CC(C)OCCOCCCCCCCBr 7a_100000760002_100000211751 [0,1,0,0,0,0|2,0,1]=4 5884 B14R0.394 CC(C)OCCOCCCCCCCN 34a_100011996573_100000211751 [0,1,0,0,0,0|2,0,1]=4 5885 B14R0.394 CC(C)OCCOCCCCCCCO 34a_100000211219_100000760002 [0,1,0,0,0,0|2,0,1]=4 5886 B14R0.394 CC(C)OCCOCCCCCCCO 7a_100000211219_100000760002 [0,1,0,0,0,0|2,0,1]=4 5887 B14R0.394 CC(C)OCCSCCCCCCCO 62a_100000211751_100000760002 [0,1,0,0,0,0|2,0,1]=4 5888 B14R0.394 CC(C)OCCSCCCCCCCO 62a_100000760002_100000211751 [0,1,0,0,0,0|2,0,1]=4 5889 B14R0.394 CC(C)OCNCCCCCCCCO 2230a_102515433106_100000709892 [0,1,0,0,0,0|2,0,1]=4 5890 B14R0.394 CC(C)OCNCCCCCCCCO 34a_102515433106_100000709892 [0,1,0,0,0,0|2,0,1]=4 5891 B14R0.394 CC(C)OCOCCCCCCCCBr 34a_100009813846_100000709892 [0,1,0,0,0,0|2,0,1]=4 5892 B14R0.394 CC(C)OCOCCCCCCCCCl 34a_100000033203_100000709892 [0,1,0,0,0,0|2,0,1]=4 5893 B14R0.394 CC(C)OCOCCCCCCCCN 34a_102515433106_100000709892 [0,1,0,0,0,0|2,0,1]=4 5894 B14R0.394 CC(C)OCSCCCCCCCCO 62a_100000033203_100000709892 [0,1,0,0,0,0|2,0,1]=4 5895 B14R0.394 CC(C)OCSCCCCCCCCO 62a_100000709892_100000033203 [0,1,0,0,0,0|2,0,1]=4 5896 B14R0.394 CC(C)SCCCCCCCCCCO 62a_100000210206_200000033068 [0,1,0,0,0,0|1,1,1]=4 5897 B14R0.394 CC(C)SCCCCCCCCCCO 62a_100009813290_100000210206 [0,1,0,0,0,0|1,1,1]=4 5898 B14R0.394 CC(F)COCCCCCCCCCO 34a_100015925927_100009813782 [0,1,0,0,0,0|2,0,1]=4 5899 B14R0.394 CC(O)COCCCCCCCCCBr 34a_100009813782_100011218427 [0,1,0,0,0,0|1,0,2]=4 5900 B14R0.394 CC(O)COCCCCCCCCCBr 7a_100009813782_100011218427 [0,1,0,0,0,0|1,0,2]=4 5901 B14R0.394 CC(O)COCCCCCCCCCCl 34a_100009868337_100011218427 [0,1,0,0,0,0|1,0,2]=4 5902 B14R0.394 CC(O)COCCCCCCCCCCl 7a_100009868337_100011218427 [0,1,0,0,0,0|1,0,2]=4 5903 B14R0.394 CC(O)COCCCCCCCCCN 34a_100000078944_100011218427 [0,1,0,0,0,0|1,0,2]=4 5904 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 34a_100016287902_100009817362 [0,1,0,0,0,0|1,0,2]=4 5905 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 7a_100016287902_100000735457 [0,1,0,0,0,0|1,0,2]=4 5906 B14R0.394 CC/C=C/CCCOCCCOC(=O)C 34a_100016287902_100000042594 [0,1,0,0,0,0|0,0,2]=3 5907 B14R0.394 CC/C=C/CCCOCCCOC(=O)C 7a_100016287902_100000042594 [0,1,0,0,0,0|0,0,2]=3 5908 B14R0.394 CC/C=C/CCCOCCCOC(=S)C 34a_100016287902_200135323944 [0,1,0,0,0,0|0,1,2]=4 5909 B14R0.394 CC/C=C/CCCOCCCOC(=S)C 7a_100016287902_200135323944 [0,1,0,0,0,0|0,1,2]=4 5910 B14R0.394 CC/C=C/CCCOCCCSC(=O)C 34a_100016287902_100000038929 [0,1,0,0,0,0|0,1,2]=4 5911 B14R0.394 CC/C=C/CCCOCCCSC(=O)C 7a_100016287902_100000038929 [0,1,0,0,0,0|0,1,2]=4 5912 B14R0.394 CC/C=C\CCCCCOCCC(=O)C 7a_100016268722_100000053229 [0,1,0,0,0,0|1,0,2]=4 5913 B14R0.394 CC/C=C\CCCCCOCOC(=O)C 34a_100016268722_100009813279 [0,1,0,0,0,0|0,0,2]=3 5914 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 34a_100016287862_100000685027 [0,1,0,0,0,0|1,0,2]=4 5915 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 7a_100016287862_100011215641 [0,1,0,0,0,0|1,0,2]=4 5916 B14R0.394 CC/C=C\CCCCOCCNC(=O)C 7a_100016287862_100000189650 [0,1,0,0,0,0|1,0,2]=4 5917 B14R0.394 CC/C=C\CCCCOCCOC(=O)C 34a_100016287862_100009814007 [0,1,0,0,0,0|0,0,2]=3 5918 B14R0.394 CC/C=C\CCCCOCCOC(=O)C 7a_100016287862_100009814007 [0,1,0,0,0,0|0,0,2]=3 5919 B14R0.394 CC/C=C\CCCCOCCOC(=O)N 34a_100016287862_200011214921 [0,1,0,0,0,0|1,0,2]=4 5920 B14R0.394 CC/C=C\CCCCOCCOC(=O)N 7a_100016287862_200011214921 [0,1,0,0,0,0|1,0,2]=4 5921 B14R0.394 CC/C=C\CCNCCCCNC(=O)C 2230a_200011368371_100015370543 [0,1,0,0,0,0|1,0,2]=4 5922 B14R0.394 CC/C=C\CCNCCCCNC(=O)C 34a_200011368371_100015370543 [0,1,0,0,0,0|1,0,2]=4 5923 B14R0.394 CC/C=C\CCOCCCCOC(=O)C 34a_100000073216_100015370543 [0,1,0,0,0,0|0,0,2]=3 5924 B14R0.394 CC/C=C\CCOCCCCOC(=O)C 34a_100016288707_100000033659 [0,1,0,0,0,0|0,0,2]=3 5925 B14R0.394 CC/C=C\CCOCCCCOC(=O)C 7a_100000073216_100015370543 [0,1,0,0,0,0|0,0,2]=3 5926 B14R0.394 CC/C=C\CCOCCCCOC(=O)C 7a_100016288707_100000033659 [0,1,0,0,0,0|0,0,2]=3 5927 B14R0.394 CC/C=C\CCOCCCCSC(=O)C 34a_100016288707_200010402107 [0,1,0,0,0,0|0,1,2]=4 5928 B14R0.394 CC/C=C\CCOCCCCSC(=O)C 7a_100016288707_200010402107 [0,1,0,0,0,0|0,1,2]=4 5929 B14R0.394 CC/C=C\CCOCOCCOC(=O)C 34a_100016288707_100000076355 [0,1,0,0,0,0|1,0,2]=4 5930 B14R0.394 CC/C=C\CCSCCCCOC(=O)C 62a_100000033659_100015370543 [0,1,0,0,0,0|0,0,2]=3 5931 B14R0.394 CC/C=C\CCSCCCCOC(=O)C 62a_100015370543_100000033659 [0,1,0,0,0,0|0,0,2]=3 5932 B14R0.394 CC/C=C\CCSCCCCSC(=O)C 62a_100015370543_200010402107 [0,1,0,0,0,0|0,1,2]=4 5933 B14R0.394 CC/C=C\CCSCCCCSC(=O)C 62a_200010402107_100015370543 [0,1,0,0,0,0|0,1,2]=4 5934 B14R0.394 CC/C=C\CCSCOCCOC(=O)C 62a_100000076355_100015370543 [0,1,0,0,0,0|1,0,2]=4 5935 B14R0.394 CC/C=C\CCSCOCCOC(=O)C 62a_100015370543_100000076355 [0,1,0,0,0,0|1,0,2]=4 5936 B14R0.394 CC/C=C\CNCCCCCNC(=O)C 2230a_200012022750_100103147603 [0,1,0,0,0,0|1,0,2]=4 5937 B14R0.394 CC/C=C\CNCCCCCNC(=O)C 34a_200012022750_100103147603 [0,1,0,0,0,0|1,0,2]=4 5938 B14R0.394 CC/C=C\COCCCCCOC(=O)C 34a_100016268518_100000033007 [0,1,0,0,0,0|0,0,2]=3 5939 B14R0.394 CC/C=C\COCCOCCOC(=O)C 34a_100016268518_200000083610 [0,1,0,0,0,0|1,0,2]=4 5940 B14R0.394 CC/C=C\CSCCCCCOC(=O)C 62a_100000033007_100103147603 [0,1,0,0,0,0|0,0,2]=3 5941 B14R0.394 CC/C=C\CSCCCCCOC(=O)C 62a_100103147603_100000033007 [0,1,0,0,0,0|0,0,2]=3 5942 B14R0.394 CC/C=C\CSCCOCCOC(=O)C 62a_100103147603_200000083610 [0,1,0,0,0,0|1,0,2]=4 5943 B14R0.394 CC/C=C\CSCCOCCOC(=O)C 62a_200000083610_100103147603 [0,1,0,0,0,0|1,0,2]=4 5944 B14R0.394 CC=C=CCCOCCCCOC(=O)C 34a_100011020354_100000033659 [0,1,0,0,0,0|0,0,3]=4 5945 B14R0.394 CC=CCCCOCCCCOC(=O)C 34a_100020645299_100000033659 [0,1,0,0,0,0|0,0,2]=3 5946 B14R0.394 CC=CCCCOCCCCSC(=O)C 34a_100020645299_200010402107 [0,1,0,0,0,0|0,1,2]=4 5947 B14R0.394 CC=CCCCOCOCCOC(=O)C 34a_100020645299_100000076355 [0,1,0,0,0,0|1,0,2]=4 5948 B14R0.394 CC=CCNCCCCCCNC(=O)C 2230a_200011996284_100000070051 [0,1,0,0,0,0|1,0,2]=4 5949 B14R0.394 CC=CCNCCCCCCNC(=O)C 34a_200011996284_100000070051 [0,1,0,0,0,0|1,0,2]=4 5950 B14R0.394 CCC#CCCCCCCOCC(=O)C 34a_100000211253_200000036426 [0,1,0,0,0,0|0,0,2]=3 5951 B14R0.394 CCC#CCCOCCCCOC(=O)C 34a_100000036655_100000033659 [0,1,0,0,0,0|0,0,2]=3 5952 B14R0.394 CCC#CCCOCCCCOC(=O)C 7a_100000036655_100000033659 [0,1,0,0,0,0|0,0,2]=3 5953 B14R0.394 CCC#CCCOCCCCSC(=O)C 34a_100000036655_200010402107 [0,1,0,0,0,0|0,1,2]=4 5954 B14R0.394 CCC#CCCOCCCCSC(=O)C 7a_100000036655_200010402107 [0,1,0,0,0,0|0,1,2]=4 5955 B14R0.394 CCC#CCCOCOCCOC(=O)C 34a_100000036655_100000076355 [0,1,0,0,0,0|1,0,2]=4 5956 B14R0.394 CCC#CCNCCCCCNC(=O)C 2230a_200012022750_100009813939 [0,1,0,0,0,0|1,0,2]=4 5957 B14R0.394 CCC#CCNCCCCCNC(=O)C 34a_200012022750_100009813939 [0,1,0,0,0,0|1,0,2]=4 5958 B14R0.394 CCC#CCOCCCCCOC(=O)C 34a_100000032950_100000033007 [0,1,0,0,0,0|0,0,2]=3 5959 B14R0.394 CCC#CCOCCOCCOC(=O)C 34a_100000032950_200000083610 [0,1,0,0,0,0|1,0,2]=4 5960 B14R0.394 CCC#CCSCCCCCOC(=O)C 62a_100000033007_100009813939 [0,1,0,0,0,0|0,0,2]=3 5961 B14R0.394 CCC#CCSCCCCCOC(=O)C 62a_100009813939_100000033007 [0,1,0,0,0,0|0,0,2]=3 5962 B14R0.394 CCC#CCSCCOCCOC(=O)C 62a_100009813939_200000083610 [0,1,0,0,0,0|1,0,2]=4 5963 B14R0.394 CCC#CCSCCOCCOC(=O)C 62a_200000083610_100009813939 [0,1,0,0,0,0|1,0,2]=4 5964 B14R0.394 CCC/C=C/COCCCCOC(=O)C 34a_100016278788_100000033659 [0,1,0,0,0,0|0,0,2]=3 5965 B14R0.394 CCC/C=C/COCCCCOC(=O)C 7a_100016278788_100000033659 [0,1,0,0,0,0|0,0,2]=3 5966 B14R0.394 CCC/C=C/COCCCCSC(=O)C 34a_100016278788_200010402107 [0,1,0,0,0,0|0,1,2]=4 5967 B14R0.394 CCC/C=C/COCCCCSC(=O)C 7a_100016278788_200010402107 [0,1,0,0,0,0|0,1,2]=4 5968 B14R0.394 CCC/C=C/COCOCCOC(=O)C 34a_100016278788_100000076355 [0,1,0,0,0,0|1,0,2]=4 5969 B14R0.394 CCCC#CCCOCCCCC(=O)C 34a_100000042726_100009817362 [0,1,0,0,0,0|1,0,2]=4 5970 B14R0.394 CCCC#CCCOCCCCC(=O)C 7a_100000042726_100000735457 [0,1,0,0,0,0|1,0,2]=4 5971 B14R0.394 CCCC#CCCOCCCOC(=O)C 34a_100000042726_100000042594 [0,1,0,0,0,0|0,0,2]=3 5972 B14R0.394 CCCC#CCCOCCCOC(=O)C 7a_100000042726_100000042594 [0,1,0,0,0,0|0,0,2]=3 5973 B14R0.394 CCCC#CCCOCCCOC(=S)C 34a_100000042726_200135323944 [0,1,0,0,0,0|0,1,2]=4 5974 B14R0.394 CCCC#CCCOCCCOC(=S)C 7a_100000042726_200135323944 [0,1,0,0,0,0|0,1,2]=4 5975 B14R0.394 CCCC#CCCOCCCSC(=O)C 34a_100000042726_100000038929 [0,1,0,0,0,0|0,1,2]=4 5976 B14R0.394 CCCC#CCCOCCCSC(=O)C 7a_100000042726_100000038929 [0,1,0,0,0,0|0,1,2]=4 5977 B14R0.394 CCCC#CCOCCCCOC(=O)C 34a_100000034806_100000033659 [0,1,0,0,0,0|0,0,2]=3 5978 B14R0.394 CCCC#CCOCCCCOC(=O)C 7a_100000034806_100000033659 [0,1,0,0,0,0|0,0,2]=3 5979 B14R0.394 CCCC#CCOCCCCSC(=O)C 34a_100000034806_200010402107 [0,1,0,0,0,0|0,1,2]=4 5980 B14R0.394 CCCC#CCOCCCCSC(=O)C 7a_100000034806_200010402107 [0,1,0,0,0,0|0,1,2]=4 5981 B14R0.394 CCCC#CCOCOCCOC(=O)C 34a_100000034806_100000076355 [0,1,0,0,0,0|1,0,2]=4 5982 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 34a_200020645093_100000187820 [0,1,0,0,0,0|1,0,2]=4 5983 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 7a_200020645093_100000187820 [0,1,0,0,0,0|1,0,2]=4 5984 B14R0.394 CCCC/C=C/CCCCOCC(=O)[O-] 34a_200020645093_100020667443 [0,1,0,0,0,0|1,0,2]=4 5985 B14R0.394 CCCC/C=C/COCCCCC(=O)C 34a_200016272032_100009817362 [0,1,0,0,0,0|1,0,2]=4 5986 B14R0.394 CCCC/C=C/COCCCCC(=O)C 7a_200016272032_100000735457 [0,1,0,0,0,0|1,0,2]=4 5987 B14R0.394 CCCC/C=C/COCCCOC(=O)C 34a_200016272032_100000042594 [0,1,0,0,0,0|0,0,2]=3 5988 B14R0.394 CCCC/C=C/COCCCOC(=O)C 7a_200016272032_100000042594 [0,1,0,0,0,0|0,0,2]=3 5989 B14R0.394 CCCC/C=C/COCCCOC(=S)C 34a_200016272032_200135323944 [0,1,0,0,0,0|0,1,2]=4 5990 B14R0.394 CCCC/C=C/COCCCOC(=S)C 7a_200016272032_200135323944 [0,1,0,0,0,0|0,1,2]=4 5991 B14R0.394 CCCC/C=C/COCCCSC(=O)C 34a_200016272032_100000038929 [0,1,0,0,0,0|0,1,2]=4 5992 B14R0.394 CCCC/C=C/COCCCSC(=O)C 7a_200016272032_100000038929 [0,1,0,0,0,0|0,1,2]=4 5993 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 34a_200016286491_100000685027 [0,1,0,0,0,0|1,0,2]=4 5994 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 7a_200016286491_100011215641 [0,1,0,0,0,0|1,0,2]=4 5995 B14R0.394 CCCC/C=C\CCOCCNC(=O)C 7a_200016286491_100000189650 [0,1,0,0,0,0|1,0,2]=4 5996 B14R0.394 CCCC/C=C\CCOCCOC(=O)C 34a_200016286491_100009814007 [0,1,0,0,0,0|0,0,2]=3 5997 B14R0.394 CCCC/C=C\CCOCCOC(=O)C 7a_200016286491_100009814007 [0,1,0,0,0,0|0,0,2]=3 5998 B14R0.394 CCCC/C=C\CCOCCOC(=O)N 34a_200016286491_200011214921 [0,1,0,0,0,0|1,0,2]=4 5999 B14R0.394 CCCC/C=C\CCOCCOC(=O)N 7a_200016286491_200011214921 [0,1,0,0,0,0|1,0,2]=4 6000 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [0,1,0,0,0,0|1,0,1]=3 6001 B14R0.394 CCCCC#CCCCCOCC(=O)N 34a_200000066234_100000187820 [0,1,0,0,0,0|1,0,2]=4 6002 B14R0.394 CCCCC#CCCCCOCC(=O)N 7a_200000066234_100000187820 [0,1,0,0,0,0|1,0,2]=4 6003 B14R0.394 CCCCC#CCCCCOCC(=O)[O-] 34a_200000066234_100020667443 [0,1,0,0,0,0|1,0,2]=4 6004 B14R0.394 CCCCC#CCCCOCCC(=O)C 34a_100000759926_200000047210 [0,1,0,0,0,0|1,0,2]=4 6005 B14R0.394 CCCCC#CCCCOCCC(=O)C 7a_100000759926_200000047210 [0,1,0,0,0,0|1,0,2]=4 6006 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_100000053229_200000047210 [0,1,0,0,0,0|1,0,2]=4 6007 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_200000047210_100000053229 [0,1,0,0,0,0|1,0,2]=4 6008 B14R0.394 CCCCC#CCCCSCOC(=O)C 62a_100000076356_200000047210 [0,1,0,0,0,0|0,0,2]=3 6009 B14R0.394 CCCCC#CCCCSCOC(=O)C 62a_200000047210_100000076356 [0,1,0,0,0,0|0,0,2]=3 6010 B14R0.394 CCCCC#CCCOCCCC(=O)C 34a_100000037610_100000685027 [0,1,0,0,0,0|1,0,2]=4 6011 B14R0.394 CCCCC#CCCOCCCC(=O)C 7a_100000037610_100011215641 [0,1,0,0,0,0|1,0,2]=4 6012 B14R0.394 CCCCC#CCCOCCNC(=O)C 7a_100000037610_100000189650 [0,1,0,0,0,0|1,0,2]=4 6013 B14R0.394 CCCCC#CCCOCCOC(=O)C 34a_100000037610_100009814007 [0,1,0,0,0,0|0,0,2]=3 6014 B14R0.394 CCCCC#CCCOCCOC(=O)C 7a_100000037610_100009814007 [0,1,0,0,0,0|0,0,2]=3 6015 B14R0.394 CCCCC#CCCOCCOC(=O)N 34a_100000037610_200011214921 [0,1,0,0,0,0|1,0,2]=4 6016 B14R0.394 CCCCC#CCCOCCOC(=O)N 7a_100000037610_200011214921 [0,1,0,0,0,0|1,0,2]=4 6017 B14R0.394 CCCCC#CCOCCCCC(=O)C 34a_200000034558_100009817362 [0,1,0,0,0,0|1,0,2]=4 6018 B14R0.394 CCCCC#CCOCCCCC(=O)C 7a_200000034558_100000735457 [0,1,0,0,0,0|1,0,2]=4 6019 B14R0.394 CCCCC#CCOCCCOC(=O)C 34a_200000034558_100000042594 [0,1,0,0,0,0|0,0,2]=3 6020 B14R0.394 CCCCC#CCOCCCOC(=O)C 7a_200000034558_100000042594 [0,1,0,0,0,0|0,0,2]=3 6021 B14R0.394 CCCCC#CCOCCCOC(=S)C 34a_200000034558_200135323944 [0,1,0,0,0,0|0,1,2]=4 6022 B14R0.394 CCCCC#CCOCCCOC(=S)C 7a_200000034558_200135323944 [0,1,0,0,0,0|0,1,2]=4 6023 B14R0.394 CCCCC#CCOCCCSC(=O)C 34a_200000034558_100000038929 [0,1,0,0,0,0|0,1,2]=4 6024 B14R0.394 CCCCC#CCOCCCSC(=O)C 7a_200000034558_100000038929 [0,1,0,0,0,0|0,1,2]=4 6025 B14R0.394 CCCCC/C=C/COCCCC(=O)C 34a_100016258190_100000685027 [0,1,0,0,0,0|1,0,2]=4 6026 B14R0.394 CCCCC/C=C/COCCCC(=O)C 7a_100016258190_100011215641 [0,1,0,0,0,0|1,0,2]=4 6027 B14R0.394 CCCCC/C=C/COCCNC(=O)C 7a_100016258190_100000189650 [0,1,0,0,0,0|1,0,2]=4 6028 B14R0.394 CCCCC/C=C/COCCOC(=O)C 34a_100016258190_100009814007 [0,1,0,0,0,0|0,0,2]=3 6029 B14R0.394 CCCCC/C=C/COCCOC(=O)C 7a_100016258190_100009814007 [0,1,0,0,0,0|0,0,2]=3 6030 B14R0.394 CCCCC/C=C/COCCOC(=O)N 34a_100016258190_200011214921 [0,1,0,0,0,0|1,0,2]=4 6031 B14R0.394 CCCCC/C=C/COCCOC(=O)N 7a_100016258190_200011214921 [0,1,0,0,0,0|1,0,2]=4 6032 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 34a_100020655193_100000187820 [0,1,0,0,0,0|1,0,2]=4 6033 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 7a_100020655193_100000187820 [0,1,0,0,0,0|1,0,2]=4 6034 B14R0.394 CCCCC/C=C\CCCOCC(=O)[O-] 34a_100020655193_100020667443 [0,1,0,0,0,0|1,0,2]=4 6035 B14R0.394 CCCCC/C=C\CCOCCC(=O)C 7a_100016277358_100000053229 [0,1,0,0,0,0|1,0,2]=4 6036 B14R0.394 CCCCC/C=C\CCOCOC(=O)C 34a_100016277358_100009813279 [0,1,0,0,0,0|0,0,2]=3 6037 B14R0.394 CCCCCC#CCCOCCC(=O)C 7a_200000042877_100000053229 [0,1,0,0,0,0|1,0,2]=4 6038 B14R0.394 CCCCCC#CCCOCOC(=O)C 34a_200000042877_100009813279 [0,1,0,0,0,0|0,0,2]=3 6039 B14R0.394 CCCCCC#CCNCCNC(=O)C 2230a_100000209853_100009816472 [0,1,0,0,0,0|1,0,2]=4 6040 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_100000759063_100009816472 [0,1,0,0,0,0|1,0,2]=4 6041 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_200000033628_100000685027 [0,1,0,0,0,0|1,0,2]=4 6042 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_100000759063_100009816472 [0,1,0,0,0,0|1,0,2]=4 6043 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_200000033628_100011215641 [0,1,0,0,0,0|1,0,2]=4 6044 B14R0.394 CCCCCC#CCOCCNC(=O)C 34a_100000158858_100009816472 [0,1,0,0,0,0|1,0,2]=4 6045 B14R0.394 CCCCCC#CCOCCNC(=O)C 7a_200000033628_100000189650 [0,1,0,0,0,0|1,0,2]=4 6046 B14R0.394 CCCCCC#CCOCCOC(=O)C 34a_200000033628_100009814007 [0,1,0,0,0,0|0,0,2]=3 6047 B14R0.394 CCCCCC#CCOCCOC(=O)C 7a_200000033628_100009814007 [0,1,0,0,0,0|0,0,2]=3 6048 B14R0.394 CCCCCC#CCOCCOC(=O)N 34a_200000033628_200011214921 [0,1,0,0,0,0|1,0,2]=4 6049 B14R0.394 CCCCCC#CCOCCOC(=O)N 7a_100000766696_100009816472 [0,1,0,0,0,0|1,0,2]=4 6050 B14R0.394 CCCCCC#CCOCCOC(=O)N 7a_200000033628_200011214921 [0,1,0,0,0,0|1,0,2]=4 6051 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100009816472_100011215641 [0,1,0,0,0,0|1,0,2]=4 6052 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100011215641_100009816472 [0,1,0,0,0,0|1,0,2]=4 6053 B14R0.394 CCCCCC#CCSCCNC(=O)C 62a_100000189650_100009816472 [0,1,0,0,0,0|1,0,2]=4 6054 B14R0.394 CCCCCC#CCSCCNC(=O)C 62a_100009816472_100000189650 [0,1,0,0,0,0|1,0,2]=4 6055 B14R0.394 CCCCCC#CCSCCOC(=O)C 62a_100009814007_100009816472 [0,1,0,0,0,0|0,0,2]=3 6056 B14R0.394 CCCCCC#CCSCCOC(=O)C 62a_100009816472_100009814007 [0,1,0,0,0,0|0,0,2]=3 6057 B14R0.394 CCCCCC#CCSCCOC(=O)N 62a_100009816472_200011214921 [0,1,0,0,0,0|1,0,2]=4 6058 B14R0.394 CCCCCC#CCSCCOC(=O)N 62a_200011214921_100009816472 [0,1,0,0,0,0|1,0,2]=4 6059 B14R0.394 CCCCCC/C=C/COCCC(=O)C 7a_200016276170_100000053229 [0,1,0,0,0,0|1,0,2]=4 6060 B14R0.394 CCCCCC/C=C/COCOC(=O)C 34a_200016276170_100009813279 [0,1,0,0,0,0|0,0,2]=3 6061 B14R0.394 CCCCCCC#CCCOCC(=O)N 34a_200000033163_100000187820 [0,1,0,0,0,0|1,0,2]=4 6062 B14R0.394 CCCCCCC#CCCOCC(=O)N 7a_200000033163_100000187820 [0,1,0,0,0,0|1,0,2]=4 6063 B14R0.394 CCCCCCC#CCCOCC(=O)[O-] 34a_200000033163_100020667443 [0,1,0,0,0,0|1,0,2]=4 6064 B14R0.394 CCCCCCC#CCOCCC(=O)C 7a_200000037284_100000053229 [0,1,0,0,0,0|1,0,2]=4 6065 B14R0.394 CCCCCCC#CCOCOC(=O)C 34a_200000037284_100009813279 [0,1,0,0,0,0|0,0,2]=3 6066 B14R0.394 CCCCCCCC#CCOCC(=O)N 34a_200000061759_100000187820 [0,1,0,0,0,0|1,0,2]=4 6067 B14R0.394 CCCCCCCC#CCOCC(=O)N 7a_200000061759_100000187820 [0,1,0,0,0,0|1,0,2]=4 6068 B14R0.394 CCCCCCCC#CCOCC(=O)[O-] 34a_200000061759_100020667443 [0,1,0,0,0,0|1,0,2]=4 6069 B14R0.394 CCCCCCCC/C=C/COC(C)C 34a_200020667288_100000210206 [0,1,0,0,0,0|1,0,2]=4 6070 B14R0.394 CCCCCCCC/C=C/COC(C)C 7a_200020667288_100000210206 [0,1,0,0,0,0|1,0,2]=4 6071 B14R0.394 CCCCCCCCCC=NNC(=O)C 4a_100000189765_100000210895 [0,1,0,0,0,0|1,0,1]=3 6072 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [0,1,0,0,0,0|1,0,0]=2 6073 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [0,1,0,0,0,0|1,0,0]=2 6074 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [0,1,0,0,0,0|1,0,0]=2 6075 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100000227908_200000210301 [0,1,0,0,0,0|3,0,0]=4 6076 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100102631434_100011215052 [0,1,0,0,0,0|3,0,0]=4 6077 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100000227908_200000210301 [0,1,0,0,0,0|3,0,0]=4 6078 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100102631434_100000759014 [0,1,0,0,0,0|3,0,0]=4 6079 B14R0.394 CCCCCCCCCCCCN(C)C 270004a_100102631434_100011218549 [0,1,0,0,0,0|3,0,0]=4 6080 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 2230a_100000227908_200025704644 [0,1,0,0,0,0|3,0,0]=4 6081 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 269982a_100000227908_200025704644 [0,1,0,0,0,0|3,0,0]=4 6082 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [0,1,0,0,0,0|1,0,0]=2 6083 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [0,1,0,0,0,0|1,0,0]=2 6084 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [0,1,0,0,0,0|1,0,0]=2 6085 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [0,1,0,0,0,0|1,0,0]=2 6086 B14R0.394 CCCCCCCCCCCNC(C)C 2230a_100138425928_100011215454 [0,1,0,0,0,0|2,0,1]=4 6087 B14R0.394 CCCCCCCCCCCNC(C)C 2230a_200011215754_100000210206 [0,1,0,0,0,0|2,0,1]=4 6088 B14R0.394 CCCCCCCCCCCNC(C)C 34a_100138425928_100011215454 [0,1,0,0,0,0|2,0,1]=4 6089 B14R0.394 CCCCCCCCCCCNC(C)C 34a_200011215754_100000210206 [0,1,0,0,0,0|2,0,1]=4 6090 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000210809_100000210206 [0,1,0,0,0,0|1,0,1]=3 6091 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000212225_100011215454 [0,1,0,0,0,0|1,0,1]=3 6092 B14R0.394 CCCCCCCCCCCOC(C)C 7a_100000210809_100000210206 [0,1,0,0,0,0|1,0,1]=3 6093 B14R0.394 CCCCCCCCCCCSC(C)C 62a_100000210206_100011215454 [0,1,0,0,0,0|1,1,1]=4 6094 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [0,1,0,0,0,0|2,0,0]=3 6095 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [0,1,0,0,0,0|2,0,0]=3 6096 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [0,1,0,0,0,0|2,0,0]=3 6097 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,1,0,0,0,0|2,0,0]=3 6098 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [0,1,0,0,0,0|2,0,0]=3 6099 B14R0.394 CCCCCCCCCCNCC(C)C 2230a_100000210953_100000210320 [0,1,0,0,0,0|2,0,1]=4 6100 B14R0.394 CCCCCCCCCCNCC(C)C 2230a_100000684558_100000210760 [0,1,0,0,0,0|2,0,1]=4 6101 B14R0.394 CCCCCCCCCCNCC(C)C 270004a_100000684558_100000210432 [0,1,0,0,0,0|2,0,1]=4 6102 B14R0.394 CCCCCCCCCCNCC(C)C 34a_100000210953_100000210320 [0,1,0,0,0,0|2,0,1]=4 6103 B14R0.394 CCCCCCCCCCNCC(C)C 34a_100000684558_100000210624 [0,1,0,0,0,0|2,0,1]=4 6104 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [0,1,0,0,0,0|1,0,2]=4 6105 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [0,1,0,0,0,0|1,0,2]=4 6106 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [0,1,0,0,0,0|1,0,2]=4 6107 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [0,1,0,0,0,0|1,0,2]=4 6108 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [0,1,0,0,0,0|1,0,2]=4 6109 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [0,1,0,0,0,0|1,0,2]=4 6110 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [0,1,0,0,0,0|3,0,0]=4 6111 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [0,1,0,0,0,0|0,0,0]=1 6112 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [0,1,0,0,0,0|1,0,0]=2 6113 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [0,1,0,0,0,0|1,0,0]=2 6114 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [0,1,0,0,0,0|1,0,0]=2 6115 B14R0.394 CCCCCCCCCCOCC(C)Br 34a_100012180447_100000210320 [0,1,0,0,0,0|1,0,1]=3 6116 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210257_100000210320 [0,1,0,0,0,0|1,0,1]=3 6117 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210711_100000210624 [0,1,0,0,0,0|1,0,1]=3 6118 B14R0.394 CCCCCCCCCCOCC(C)C 7a_100000210711_100000210760 [0,1,0,0,0,0|1,0,1]=3 6119 B14R0.394 CCCCCCCCCCOCC(C)F 34a_100015925927_100000210320 [0,1,0,0,0,0|1,0,1]=3 6120 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [0,1,0,0,0,0|0,0,2]=3 6121 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [0,1,0,0,0,0|0,0,2]=3 6122 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000210711_100011934356 [0,1,0,0,0,0|2,0,1]=4 6123 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000743014_100000210320 [0,1,0,0,0,0|2,0,1]=4 6124 B14R0.394 CCCCCCCCCCOCC(F)F 7a_100000210711_100011934356 [0,1,0,0,0,0|2,0,1]=4 6125 B14R0.394 CCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210320 [0,1,0,0,0,0|1,0,1]=3 6126 B14R0.394 CCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210320 [0,1,0,0,0,0|1,0,1]=3 6127 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [0,1,0,0,0,0|0,0,2]=3 6128 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [0,1,0,0,0,0|0,0,2]=3 6129 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [0,1,0,0,0,0|2,0,0]=3 6130 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [0,1,0,0,0,0|1,1,0]=3 6131 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [0,1,0,0,0,0|1,1,0]=3 6132 B14R0.394 CCCCCCCCCCSCC(C)C 62a_100000210624_100000210320 [0,1,0,0,0,0|1,1,1]=4 6133 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [0,1,0,0,0,0|0,1,2]=4 6134 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [0,1,0,0,0,0|0,1,2]=4 6135 B14R0.394 CCCCCCCCCNCC=C(C)C 2230a_100000212291_100000761012 [0,1,0,0,0,0|2,0,0]=3 6136 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000212291_100000761012 [0,1,0,0,0,0|2,0,0]=3 6137 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000718196_100011214924 [0,1,0,0,0,0|2,0,0]=3 6138 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [0,1,0,0,0,0|2,0,0]=3 6139 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [0,1,0,0,0,0|2,0,0]=3 6140 B14R0.394 CCCCCCCCCNCCC(C)C 2230a_100000212291_100000210312 [0,1,0,0,0,0|2,0,1]=4 6141 B14R0.394 CCCCCCCCCNCCC(C)C 269862a_100000212291_100000185833 [0,1,0,0,0,0|2,0,1]=4 6142 B14R0.394 CCCCCCCCCNCCC(C)C 34a_100000212291_100000210312 [0,1,0,0,0,0|2,0,1]=4 6143 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [0,1,0,0,0,0|1,0,2]=4 6144 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [0,1,0,0,0,0|1,0,2]=4 6145 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [0,1,0,0,0,0|1,0,2]=4 6146 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [0,1,0,0,0,0|0,0,0]=1 6147 B14R0.394 CCCCCCCCCNCOC(C)C 2230a_100000212291_100000709892 [0,1,0,0,0,0|1,0,1]=3 6148 B14R0.394 CCCCCCCCCNCOC(C)C 34a_100000212291_100000709892 [0,1,0,0,0,0|1,0,1]=3 6149 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,1,0,0,0,0|2,0,0]=3 6150 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000210712_100000761012 [0,1,0,0,0,0|2,0,0]=3 6151 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000753907_100011214924 [0,1,0,0,0,0|2,0,0]=3 6152 B14R0.394 CCCCCCCCCOCC=C(C)C 7a_100000210712_100000761012 [0,1,0,0,0,0|2,0,0]=3 6153 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [0,1,0,0,0,0|1,0,0]=2 6154 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [0,1,0,0,0,0|1,0,0]=2 6155 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [0,1,0,0,0,0|1,0,0]=2 6156 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [0,1,0,0,0,0|2,0,0]=3 6157 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [0,1,0,0,0,0|2,0,0]=3 6158 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [0,1,0,0,0,0|2,0,0]=3 6159 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [0,1,0,0,0,0|2,0,0]=3 6160 B14R0.394 CCCCCCCCCOCCC(C)Br 34a_100009893172_100011214924 [0,1,0,0,0,0|2,0,1]=4 6161 B14R0.394 CCCCCCCCCOCCC(C)C 34a_100000210254_100011214924 [0,1,0,0,0,0|2,0,1]=4 6162 B14R0.394 CCCCCCCCCOCCC(C)C 34a_100000210712_100000210312 [0,1,0,0,0,0|2,0,1]=4 6163 B14R0.394 CCCCCCCCCOCCC(C)C 7a_100000210254_100000210328 [0,1,0,0,0,0|2,0,1]=4 6164 B14R0.394 CCCCCCCCCOCCC(C)C 7a_100000210712_100000210626 [0,1,0,0,0,0|2,0,1]=4 6165 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [0,1,0,0,0,0|1,0,2]=4 6166 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [0,1,0,0,0,0|1,0,2]=4 6167 B14R0.394 CCCCCCCCCOCCN(C)C 7a_100000210712_100000755713 [0,1,0,0,0,0|3,0,0]=4 6168 B14R0.394 CCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011214924 [0,1,0,0,0,0|2,0,1]=4 6169 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [0,1,0,0,0,0|0,0,0]=1 6170 B14R0.394 CCCCCCCCCOCOC(C)C 34a_100000210712_100000709892 [0,1,0,0,0,0|1,0,1]=3 6171 B14R0.394 CCCCCCCCCSCC=C(C)C 62a_100000761012_100000210670 [0,1,0,0,0,0|2,0,0]=3 6172 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [0,1,0,0,0,0|1,0,0]=2 6173 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [0,1,0,0,0,0|2,0,0]=3 6174 B14R0.394 CCCCCCCCCSCCC(C)C 62a_100000210312_100000210670 [0,1,0,0,0,0|2,0,1]=4 6175 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [0,1,0,0,0,0|1,0,2]=4 6176 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [0,1,0,0,0,0|0,0,0]=1 6177 B14R0.394 CCCCCCCCCSCOC(C)C 62a_100000709892_100000210670 [0,1,0,0,0,0|1,0,1]=3 6178 B14R0.394 CCCCCCCCNCCC=C(C)C 2230a_100000229939_100011217483 [0,1,0,0,0,0|2,0,0]=3 6179 B14R0.394 CCCCCCCCNCCC=C(C)C 34a_100000229939_100011217483 [0,1,0,0,0,0|2,0,0]=3 6180 B14R0.394 CCCCCCCCNCCC=C(F)F 2230a_100000229939_200009816681 [0,1,0,0,0,0|3,0,0]=4 6181 B14R0.394 CCCCCCCCNCCC=C(F)F 34a_100000229939_200009816681 [0,1,0,0,0,0|3,0,0]=4 6182 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [0,1,0,0,0,0|1,0,0]=2 6183 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [0,1,0,0,0,0|2,0,0]=3 6184 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [0,1,0,0,0,0|2,0,0]=3 6185 B14R0.394 CCCCCCCCNCCCC(C)C 2230a_100000229939_100011214892 [0,1,0,0,0,0|2,0,1]=4 6186 B14R0.394 CCCCCCCCNCCCC(C)C 2230a_200000737386_100000210759 [0,1,0,0,0,0|2,0,1]=4 6187 B14R0.394 CCCCCCCCNCCCC(C)C 34a_100000229939_100011214892 [0,1,0,0,0,0|2,0,1]=4 6188 B14R0.394 CCCCCCCCNCCCC(C)C 34a_200000737386_100000210759 [0,1,0,0,0,0|2,0,1]=4 6189 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [0,1,0,0,0,0|1,0,2]=4 6190 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [0,1,0,0,0,0|1,0,2]=4 6191 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [0,1,0,0,0,0|2,0,0]=3 6192 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [0,1,0,0,0,0|1,0,0]=2 6193 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [0,1,0,0,0,0|1,0,0]=2 6194 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [0,1,0,0,0,0|2,0,0]=3 6195 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [0,1,0,0,0,0|2,0,0]=3 6196 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [0,1,0,0,0,0|0,0,0]=1 6197 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [0,1,0,0,0,0|1,0,0]=2 6198 B14R0.394 CCCCCCCCNCCOC(C)C 2230a_100000229939_100000211751 [0,1,0,0,0,0|1,0,1]=3 6199 B14R0.394 CCCCCCCCNCCOC(C)C 2230a_100000701111_100000210759 [0,1,0,0,0,0|1,0,1]=3 6200 B14R0.394 CCCCCCCCNCCOC(C)C 34a_100000229939_100000211751 [0,1,0,0,0,0|1,0,1]=3 6201 B14R0.394 CCCCCCCCNCCOC(C)C 34a_100000701111_100000210759 [0,1,0,0,0,0|1,0,1]=3 6202 B14R0.394 CCCCCCCCNCCSC(C)C 2230a_100000229939_100000730970 [0,1,0,0,0,0|1,1,1]=4 6203 B14R0.394 CCCCCCCCNCCSC(C)C 2230a_100000731138_100000210759 [0,1,0,0,0,0|1,1,1]=4 6204 B14R0.394 CCCCCCCCNCCSC(C)C 34a_100000229939_100000730970 [0,1,0,0,0,0|1,1,1]=4 6205 B14R0.394 CCCCCCCCNCCSC(C)C 34a_100000731138_100000210759 [0,1,0,0,0,0|1,1,1]=4 6206 B14R0.394 CCCCCCCCOCCC=C(C)C 34a_100000210232_100011217483 [0,1,0,0,0,0|2,0,0]=3 6207 B14R0.394 CCCCCCCCOCCC=C(C)C 7a_100000210232_100011217483 [0,1,0,0,0,0|2,0,0]=3 6208 B14R0.394 CCCCCCCCOCCC=C(F)F 34a_100000210232_200009816681 [0,1,0,0,0,0|3,0,0]=4 6209 B14R0.394 CCCCCCCCOCCC=C(F)F 7a_100000210232_200009816681 [0,1,0,0,0,0|3,0,0]=4 6210 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [0,1,0,0,0,0|1,0,0]=2 6211 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [0,1,0,0,0,0|1,0,0]=2 6212 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [0,1,0,0,0,0|1,0,0]=2 6213 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [0,1,0,0,0,0|1,0,0]=2 6214 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [0,1,0,0,0,0|2,0,0]=3 6215 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [0,1,0,0,0,0|2,0,0]=3 6216 B14R0.394 CCCCCCCCOCCCC(C)C 34a_100000210232_100011214892 [0,1,0,0,0,0|2,0,1]=4 6217 B14R0.394 CCCCCCCCOCCCC(C)C 34a_100000210774_100000210759 [0,1,0,0,0,0|2,0,1]=4 6218 B14R0.394 CCCCCCCCOCCCC(C)C 7a_100000210232_100011214892 [0,1,0,0,0,0|2,0,1]=4 6219 B14R0.394 CCCCCCCCOCCCC(C)C 7a_100000210774_100000210759 [0,1,0,0,0,0|2,0,1]=4 6220 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [0,1,0,0,0,0|1,0,2]=4 6221 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [0,1,0,0,0,0|1,0,2]=4 6222 B14R0.394 CCCCCCCCOCCCN(C)C 7a_100000210232_100000757444 [0,1,0,0,0,0|3,0,0]=4 6223 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [0,1,0,0,0,0|3,0,0]=4 6224 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [0,1,0,0,0,0|1,0,0]=2 6225 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [0,1,0,0,0,0|1,0,0]=2 6226 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [0,1,0,0,0,0|2,0,0]=3 6227 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [0,1,0,0,0,0|2,0,0]=3 6228 B14R0.394 CCCCCCCCOCCNC(C)C 34a_100000224655_100000210759 [0,1,0,0,0,0|2,0,1]=4 6229 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [0,1,0,0,0,0|0,0,0]=1 6230 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [0,1,0,0,0,0|0,0,0]=1 6231 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [0,1,0,0,0,0|1,0,0]=2 6232 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [0,1,0,0,0,0|1,0,0]=2 6233 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [0,1,0,0,0,0|1,0,0]=2 6234 B14R0.394 CCCCCCCCOCCOC(C)C 34a_100000210232_100000211751 [0,1,0,0,0,0|1,0,1]=3 6235 B14R0.394 CCCCCCCCOCCOC(C)C 34a_100000211219_100000210759 [0,1,0,0,0,0|1,0,1]=3 6236 B14R0.394 CCCCCCCCOCCOC(C)C 7a_100000210232_100000211751 [0,1,0,0,0,0|1,0,1]=3 6237 B14R0.394 CCCCCCCCOCCOC(C)C 7a_100000211219_100000210759 [0,1,0,0,0,0|1,0,1]=3 6238 B14R0.394 CCCCCCCCOCCSC(C)C 34a_100000210232_100000730970 [0,1,0,0,0,0|1,1,1]=4 6239 B14R0.394 CCCCCCCCOCCSC(C)C 34a_200011212901_100000210759 [0,1,0,0,0,0|1,1,1]=4 6240 B14R0.394 CCCCCCCCOCCSC(C)C 7a_100000210232_100000730970 [0,1,0,0,0,0|1,1,1]=4 6241 B14R0.394 CCCCCCCCOCCSC(C)C 7a_200011212901_100000210759 [0,1,0,0,0,0|1,1,1]=4 6242 B14R0.394 CCCCCCCCSCCC=C(C)C 62a_100000210759_100011217483 [0,1,0,0,0,0|2,0,0]=3 6243 B14R0.394 CCCCCCCCSCCC=C(C)C 62a_100011217483_100000210317 [0,1,0,0,0,0|2,0,0]=3 6244 B14R0.394 CCCCCCCCSCCC=C(F)F 62a_100000210759_200009816681 [0,1,0,0,0,0|3,0,0]=4 6245 B14R0.394 CCCCCCCCSCCC=C(F)F 62a_200009816681_100000210317 [0,1,0,0,0,0|3,0,0]=4 6246 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [0,1,0,0,0,0|1,0,0]=2 6247 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [0,1,0,0,0,0|1,0,0]=2 6248 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [0,1,0,0,0,0|2,0,0]=3 6249 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [0,1,0,0,0,0|2,0,0]=3 6250 B14R0.394 CCCCCCCCSCCCC(C)C 62a_100000210759_100011214892 [0,1,0,0,0,0|2,0,1]=4 6251 B14R0.394 CCCCCCCCSCCCC(C)C 62a_100011214892_100000210317 [0,1,0,0,0,0|2,0,1]=4 6252 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [0,1,0,0,0,0|1,0,2]=4 6253 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [0,1,0,0,0,0|1,0,2]=4 6254 B14R0.394 CCCCCCCCSCCCN(C)C 62a_100000210759_100000757444 [0,1,0,0,0,0|3,0,0]=4 6255 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [0,1,0,0,0,0|1,0,0]=2 6256 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [0,1,0,0,0,0|1,0,0]=2 6257 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [0,1,0,0,0,0|2,0,0]=3 6258 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [0,1,0,0,0,0|2,0,0]=3 6259 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [0,1,0,0,0,0|0,0,0]=1 6260 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [0,1,0,0,0,0|0,0,0]=1 6261 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [0,1,0,0,0,0|1,0,0]=2 6262 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [0,1,0,0,0,0|1,0,0]=2 6263 B14R0.394 CCCCCCCCSCCOC(C)C 62a_100000210759_100000211751 [0,1,0,0,0,0|1,0,1]=3 6264 B14R0.394 CCCCCCCCSCCOC(C)C 62a_100000211751_100000210317 [0,1,0,0,0,0|1,0,1]=3 6265 B14R0.394 CCCCCCCCSCCSC(C)C 62a_100000210759_100000730970 [0,1,0,0,0,0|1,1,1]=4 6266 B14R0.394 CCCCCCCCSCCSC(C)C 62a_100000730970_100000210317 [0,1,0,0,0,0|1,1,1]=4 6267 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [0,1,0,0,0,0|2,0,0]=3 6268 B14R0.394 CCCCCCCNCCCCC(C)C 2230a_100000229938_100011216152 [0,1,0,0,0,0|2,0,1]=4 6269 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [0,1,0,0,0,0|1,0,0]=2 6270 B14R0.394 CCCCCCCNCCCOC(=S)C 2230a_100000229938_200135323944 [0,1,0,0,0,0|0,1,0]=2 6271 B14R0.394 CCCCCCCNCCCOC(C)C 2230a_100000737246_100000210681 [0,1,0,0,0,0|1,0,1]=3 6272 B14R0.394 CCCCCCCNCCCOC(C)C 34a_100000737246_100000210614 [0,1,0,0,0,0|1,0,1]=3 6273 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [0,1,0,0,0,0|0,1,0]=2 6274 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [0,1,0,0,0,0|2,0,0]=3 6275 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,1,0,0,0,0|2,0,0]=3 6276 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [0,1,0,0,0,0|1,0,0]=2 6277 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [0,1,0,0,0,0|1,0,0]=2 6278 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [0,1,0,0,0,0|2,0,0]=3 6279 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [0,1,0,0,0,0|2,0,0]=3 6280 B14R0.394 CCCCCCCOCCCCC(C)C 34a_100000210272_100011216152 [0,1,0,0,0,0|2,0,1]=4 6281 B14R0.394 CCCCCCCOCCCCC(C)C 34a_100011214890_100000210614 [0,1,0,0,0,0|2,0,1]=4 6282 B14R0.394 CCCCCCCOCCCCC(C)C 7a_100000210272_100011216152 [0,1,0,0,0,0|2,0,1]=4 6283 B14R0.394 CCCCCCCOCCCCC(C)C 7a_100011214890_100000210614 [0,1,0,0,0,0|2,0,1]=4 6284 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [0,1,0,0,0,0|3,0,0]=4 6285 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [0,1,0,0,0,0|3,0,0]=4 6286 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [0,1,0,0,0,0|1,0,0]=2 6287 B14R0.394 CCCCCCCOCCCNC(C)C 34a_100000182298_100000210614 [0,1,0,0,0,0|2,0,1]=4 6288 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [0,1,0,0,0,0|0,0,0]=1 6289 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [0,1,0,0,0,0|0,0,0]=1 6290 B14R0.394 CCCCCCCOCCCOC(=S)C 34a_100000210272_200135323944 [0,1,0,0,0,0|0,1,0]=2 6291 B14R0.394 CCCCCCCOCCCOC(=S)C 7a_100000210272_200135323944 [0,1,0,0,0,0|0,1,0]=2 6292 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [0,1,0,0,0,0|0,1,0]=2 6293 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [0,1,0,0,0,0|0,1,0]=2 6294 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [0,1,0,0,0,0|2,0,0]=3 6295 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [0,1,0,0,0,0|2,0,0]=3 6296 B14R0.394 CCCCCCCOCCOCC(C)C 34a_100000703358_100000210614 [0,1,0,0,0,0|2,0,1]=4 6297 B14R0.394 CCCCCCCOCCOCC(C)C 7a_100000703358_100000210614 [0,1,0,0,0,0|2,0,1]=4 6298 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [0,1,0,0,0,0|1,0,0]=2 6299 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [0,1,0,0,0,0|1,0,0]=2 6300 B14R0.394 CCCCCCCSCCCCC(C)C 62a_100000210614_100011216152 [0,1,0,0,0,0|2,0,1]=4 6301 B14R0.394 CCCCCCCSCCCCC(C)C 62a_100011216152_100000210316 [0,1,0,0,0,0|2,0,1]=4 6302 B14R0.394 CCCCCCCSCCCCN(C)C 62a_100000210614_100000690147 [0,1,0,0,0,0|3,0,0]=4 6303 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [0,1,0,0,0,0|0,0,0]=1 6304 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [0,1,0,0,0,0|0,0,0]=1 6305 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_100000210614_200135323944 [0,1,0,0,0,0|0,1,0]=2 6306 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_200135323944_100000210316 [0,1,0,0,0,0|0,1,0]=2 6307 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [0,1,0,0,0,0|0,1,0]=2 6308 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [0,1,0,0,0,0|0,1,0]=2 6309 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [0,1,0,0,0,0|2,0,0]=3 6310 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [0,1,0,0,0,0|2,0,0]=3 6311 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [0,1,0,0,0,0|2,0,0]=3 6312 B14R0.394 CCCCCCNCCCCCC(C)C 2230a_100000210581_100000210682 [0,1,0,0,0,0|2,0,1]=4 6313 B14R0.394 CCCCCCNCCCCCC(C)C 2230a_100011290863_100000210314 [0,1,0,0,0,0|2,0,1]=4 6314 B14R0.394 CCCCCCNCCCCCC(C)C 34a_100011290863_100000210314 [0,1,0,0,0,0|2,0,1]=4 6315 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [0,1,0,0,0,0|1,0,0]=2 6316 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [0,1,0,0,0,0|1,0,0]=2 6317 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [0,1,0,0,0,0|0,1,0]=2 6318 B14R0.394 CCCCCCNCCCOCC(C)C 2230a_100000205972_100000210314 [0,1,0,0,0,0|2,0,1]=4 6319 B14R0.394 CCCCCCNCCCOCC(C)C 34a_100000205972_100000210314 [0,1,0,0,0,0|2,0,1]=4 6320 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [0,1,0,0,0,0|2,0,0]=3 6321 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [0,1,0,0,0,0|2,0,0]=3 6322 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [0,1,0,0,0,0|2,0,0]=3 6323 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [0,1,0,0,0,0|2,0,0]=3 6324 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [0,1,0,0,0,0|2,0,0]=3 6325 B14R0.394 CCCCCCOCCCCCC(C)C 34a_100000210259_100000210682 [0,1,0,0,0,0|2,0,1]=4 6326 B14R0.394 CCCCCCOCCCCCC(C)C 34a_100011995859_100000210314 [0,1,0,0,0,0|2,0,1]=4 6327 B14R0.394 CCCCCCOCCCCCC(C)C 7a_100000210259_100000210682 [0,1,0,0,0,0|2,0,1]=4 6328 B14R0.394 CCCCCCOCCCCCC(C)C 7a_100011995859_100000210314 [0,1,0,0,0,0|2,0,1]=4 6329 B14R0.394 CCCCCCOCCCCNC(C)C 34a_100011521146_100000210314 [0,1,0,0,0,0|2,0,1]=4 6330 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [0,1,0,0,0,0|0,0,0]=1 6331 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [0,1,0,0,0,0|0,0,0]=1 6332 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [0,1,0,0,0,0|0,0,0]=1 6333 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [0,1,0,0,0,0|0,0,0]=1 6334 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 34a_100000210259_100015694321 [0,1,0,0,0,0|2,0,0]=3 6335 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 7a_100000210259_100015694321 [0,1,0,0,0,0|2,0,0]=3 6336 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [0,1,0,0,0,0|0,1,0]=2 6337 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [0,1,0,0,0,0|0,1,0]=2 6338 B14R0.394 CCCCCCOCCOCC=C(C)C 34a_100000691444_100000761012 [0,1,0,0,0,0|3,0,0]=4 6339 B14R0.394 CCCCCCOCCOCC=C(C)C 7a_100000691444_100000761012 [0,1,0,0,0,0|3,0,0]=4 6340 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [0,1,0,0,0,0|2,0,0]=3 6341 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [0,1,0,0,0,0|3,0,0]=4 6342 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [0,1,0,0,0,0|3,0,0]=4 6343 B14R0.394 CCCCCCOCCOCOC(=O)C 34a_100000691444_100009813279 [0,1,0,0,0,0|1,0,0]=2 6344 B14R0.394 CCCCCCOCCOCOC(C)C 34a_100000691444_100000709892 [0,1,0,0,0,0|2,0,1]=4 6345 B14R0.394 CCCCCCOCOCCOC(=O)C 34a_100000210259_100000076355 [0,1,0,0,0,0|1,0,0]=2 6346 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [0,1,0,0,0,0|2,0,0]=3 6347 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [0,1,0,0,0,0|2,0,0]=3 6348 B14R0.394 CCCCCCSCCCCCC(C)C 62a_100000210314_100000210682 [0,1,0,0,0,0|2,0,1]=4 6349 B14R0.394 CCCCCCSCCCCCC(C)C 62a_100000210682_100000210757 [0,1,0,0,0,0|2,0,1]=4 6350 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [0,1,0,0,0,0|0,0,0]=1 6351 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [0,1,0,0,0,0|0,0,0]=1 6352 B14R0.394 CCCCCCSCCCCO[N+](=O)[O-] 62a_100000210314_100015694321 [0,1,0,0,0,0|2,0,0]=3 6353 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [0,1,0,0,0,0|0,1,0]=2 6354 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [0,1,0,0,0,0|0,1,0]=2 6355 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000076355_100000210757 [0,1,0,0,0,0|1,0,0]=2 6356 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000210314_100000076355 [0,1,0,0,0,0|1,0,0]=2 6357 B14R0.394 CCCCCNCCCCCCC(C)C 2230a_100000211014_100000210326 [0,1,0,0,0,0|2,0,1]=4 6358 B14R0.394 CCCCCNCCCCCCC(C)C 34a_100000211014_100000718602 [0,1,0,0,0,0|2,0,1]=4 6359 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [0,1,0,0,0,0|1,0,0]=2 6360 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [0,1,0,0,0,0|1,0,0]=2 6361 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [0,1,0,0,0,0|0,0,0]=1 6362 B14R0.394 CCCCCNCCOCCC=C(C)C 34a_100000224656_100011217483 [0,1,0,0,0,0|3,0,0]=4 6363 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [0,1,0,0,0,0|2,0,0]=3 6364 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [0,1,0,0,0,0|3,0,0]=4 6365 B14R0.394 CCCCCNCCOCCOC(=O)C 2230a_100000209983_200000083610 [0,1,0,0,0,0|1,0,0]=2 6366 B14R0.394 CCCCCNCCOCCOC(=O)C 34a_100000224656_100009814007 [0,1,0,0,0,0|1,0,0]=2 6367 B14R0.394 CCCCCNCCOCCOC(=O)N 34a_100000224656_200011214921 [0,1,0,0,0,0|2,0,0]=3 6368 B14R0.394 CCCCCNCCOCCOC(C)C 34a_100000224656_100000211751 [0,1,0,0,0,0|2,0,1]=4 6369 B14R0.394 CCCCCOCCCCCNC(C)C 34a_100011629493_100000718602 [0,1,0,0,0,0|2,0,1]=4 6370 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [0,1,0,0,0,0|0,0,0]=1 6371 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [0,1,0,0,0,0|0,0,0]=1 6372 B14R0.394 CCCCCOCCOCCC=C(C)C 34a_100011215259_100011217483 [0,1,0,0,0,0|3,0,0]=4 6373 B14R0.394 CCCCCOCCOCCC=C(C)C 7a_100011215259_100011217483 [0,1,0,0,0,0|3,0,0]=4 6374 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [0,1,0,0,0,0|2,0,0]=3 6375 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [0,1,0,0,0,0|2,0,0]=3 6376 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [0,1,0,0,0,0|3,0,0]=4 6377 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [0,1,0,0,0,0|3,0,0]=4 6378 B14R0.394 CCCCCOCCOCCNC(=O)C 7a_100011215259_100000189650 [0,1,0,0,0,0|2,0,0]=3 6379 B14R0.394 CCCCCOCCOCCNC(=O)N 7a_100011215259_200000034859 [0,1,0,0,0,0|3,0,0]=4 6380 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100000210253_200000083610 [0,1,0,0,0,0|1,0,0]=2 6381 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100011215259_100009814007 [0,1,0,0,0,0|1,0,0]=2 6382 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100000210253_200000083610 [0,1,0,0,0,0|1,0,0]=2 6383 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100011215259_100009814007 [0,1,0,0,0,0|1,0,0]=2 6384 B14R0.394 CCCCCOCCOCCOC(=O)N 34a_100011215259_200011214921 [0,1,0,0,0,0|2,0,0]=3 6385 B14R0.394 CCCCCOCCOCCOC(=O)N 7a_100011215259_200011214921 [0,1,0,0,0,0|2,0,0]=3 6386 B14R0.394 CCCCCOCCOCCOC(C)C 34a_100011215259_100000211751 [0,1,0,0,0,0|2,0,1]=4 6387 B14R0.394 CCCCCOCCOCCOC(C)C 7a_100011215259_100000211751 [0,1,0,0,0,0|2,0,1]=4 6388 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [0,1,0,0,0,0|0,0,0]=1 6389 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [0,1,0,0,0,0|0,0,0]=1 6390 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_100000210326_200000083610 [0,1,0,0,0,0|1,0,0]=2 6391 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_200000083610_100000210326 [0,1,0,0,0,0|1,0,0]=2 6392 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [0,1,0,0,0,0|1,0,0]=2 6393 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [0,1,0,0,0,0|1,0,0]=2 6394 B14R0.394 CCCCNCCCCOCC=C(C)C 34a_200011216965_100000761012 [0,1,0,0,0,0|3,0,0]=4 6395 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [0,1,0,0,0,0|3,0,0]=4 6396 B14R0.394 CCCCNCCCCOCOC(=O)C 34a_200011216965_100009813279 [0,1,0,0,0,0|1,0,0]=2 6397 B14R0.394 CCCCNCCCCOCOC(C)C 34a_200011216965_100000709892 [0,1,0,0,0,0|2,0,1]=4 6398 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [0,1,0,0,0,0|3,0,0]=4 6399 B14R0.394 CCCCOCCCCCCCC(C)C 34a_200000210741_100000210210 [0,1,0,0,0,0|2,0,1]=4 6400 B14R0.394 CCCCOCCCCCCCC(C)C 7a_200000210741_100000210211 [0,1,0,0,0,0|2,0,1]=4 6401 B14R0.394 CCCCOCCCCOCC=C(C)C 34a_200000760531_100000761012 [0,1,0,0,0,0|3,0,0]=4 6402 B14R0.394 CCCCOCCCCOCC=C(C)C 7a_200000760531_100000761012 [0,1,0,0,0,0|3,0,0]=4 6403 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [0,1,0,0,0,0|2,0,0]=3 6404 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [0,1,0,0,0,0|3,0,0]=4 6405 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [0,1,0,0,0,0|3,0,0]=4 6406 B14R0.394 CCCCOCCCCOCOC(=O)C 34a_200000760531_100009813279 [0,1,0,0,0,0|1,0,0]=2 6407 B14R0.394 CCCCOCCCCOCOC(C)C 34a_200000760531_100000709892 [0,1,0,0,0,0|2,0,1]=4 6408 B14R0.394 CCCCOCCCNCCC=C(C)C 2230a_200000211371_100011217483 [0,1,0,0,0,0|3,0,0]=4 6409 B14R0.394 CCCCOCCCNCCC=C(C)C 34a_200000211371_100011217483 [0,1,0,0,0,0|3,0,0]=4 6410 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [0,1,0,0,0,0|2,0,0]=3 6411 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [0,1,0,0,0,0|3,0,0]=4 6412 B14R0.394 CCCCOCCCNCCNC(=O)C 2230a_200000211371_100000189650 [0,1,0,0,0,0|2,0,0]=3 6413 B14R0.394 CCCCOCCCNCCNC(=O)N 2230a_200000211371_200000034859 [0,1,0,0,0,0|3,0,0]=4 6414 B14R0.394 CCCCOCCCNCCOC(=O)C 34a_200000211371_100009814007 [0,1,0,0,0,0|1,0,0]=2 6415 B14R0.394 CCCCOCCCNCCOC(=O)N 34a_200000211371_200011214921 [0,1,0,0,0,0|2,0,0]=3 6416 B14R0.394 CCCCOCCCNCCOC(C)C 2230a_200000211371_100000211751 [0,1,0,0,0,0|2,0,1]=4 6417 B14R0.394 CCCCOCCCNCCOC(C)C 34a_200000211371_100000211751 [0,1,0,0,0,0|2,0,1]=4 6418 B14R0.394 CCCCOCCCOCCC=C(C)C 34a_200011215613_100011217483 [0,1,0,0,0,0|3,0,0]=4 6419 B14R0.394 CCCCOCCCOCCC=C(C)C 7a_200011215613_100011217483 [0,1,0,0,0,0|3,0,0]=4 6420 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [0,1,0,0,0,0|2,0,0]=3 6421 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [0,1,0,0,0,0|2,0,0]=3 6422 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [0,1,0,0,0,0|3,0,0]=4 6423 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [0,1,0,0,0,0|3,0,0]=4 6424 B14R0.394 CCCCOCCCOCCNC(=O)C 7a_200011215613_100000189650 [0,1,0,0,0,0|2,0,0]=3 6425 B14R0.394 CCCCOCCCOCCNC(=O)N 7a_200011215613_200000034859 [0,1,0,0,0,0|3,0,0]=4 6426 B14R0.394 CCCCOCCCOCCOC(=O)C 34a_200011215613_100009814007 [0,1,0,0,0,0|1,0,0]=2 6427 B14R0.394 CCCCOCCCOCCOC(=O)C 7a_200011215613_100009814007 [0,1,0,0,0,0|1,0,0]=2 6428 B14R0.394 CCCCOCCCOCCOC(=O)N 34a_200011215613_200011214921 [0,1,0,0,0,0|2,0,0]=3 6429 B14R0.394 CCCCOCCCOCCOC(=O)N 7a_200011215613_200011214921 [0,1,0,0,0,0|2,0,0]=3 6430 B14R0.394 CCCCOCCCOCCOC(C)C 34a_200011215613_100000211751 [0,1,0,0,0,0|2,0,1]=4 6431 B14R0.394 CCCCOCCCOCCOC(C)C 7a_200011215613_100000211751 [0,1,0,0,0,0|2,0,1]=4 6432 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [0,1,0,0,0,0|3,0,0]=4 6433 B14R0.394 CCCCOCCNCCCNC(=O)C 34a_100000736810_100000743108 [0,1,0,0,0,0|2,0,0]=3 6434 B14R0.394 CCCCOCCNCCCOC(C)C 2230a_100000737246_100000743108 [0,1,0,0,0,0|2,0,1]=4 6435 B14R0.394 CCCCOCCNCCCOC(C)C 34a_100000737246_100000743108 [0,1,0,0,0,0|2,0,1]=4 6436 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [0,1,0,0,0,0|3,0,0]=4 6437 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [0,1,0,0,0,0|2,0,0]=3 6438 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [0,1,0,0,0,0|2,0,0]=3 6439 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [0,1,0,0,0,0|3,0,0]=4 6440 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [0,1,0,0,0,0|3,0,0]=4 6441 B14R0.394 CCCCOCCOCCCNC(=O)C 34a_100000752032_100000743108 [0,1,0,0,0,0|2,0,0]=3 6442 B14R0.394 CCCCOCCOCCCOC(=O)C 34a_100000210238_100000042594 [0,1,0,0,0,0|1,0,0]=2 6443 B14R0.394 CCCCOCCOCCCOC(=O)C 7a_100000210238_100000042594 [0,1,0,0,0,0|1,0,0]=2 6444 B14R0.394 CCCCOCCOCCCOC(=S)C 34a_100000210238_200135323944 [0,1,0,0,0,0|1,1,0]=3 6445 B14R0.394 CCCCOCCOCCCOC(=S)C 7a_100000210238_200135323944 [0,1,0,0,0,0|1,1,0]=3 6446 B14R0.394 CCCCOCCOCCCSC(=O)C 34a_100000210238_100000038929 [0,1,0,0,0,0|1,1,0]=3 6447 B14R0.394 CCCCOCCOCCCSC(=O)C 7a_100000210238_100000038929 [0,1,0,0,0,0|1,1,0]=3 6448 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100000210238_100000076697 [0,1,0,0,0,0|3,0,0]=4 6449 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100011215186_100000187820 [0,1,0,0,0,0|3,0,0]=4 6450 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100000210238_100000076697 [0,1,0,0,0,0|3,0,0]=4 6451 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100011215186_100000187820 [0,1,0,0,0,0|3,0,0]=4 6452 B14R0.394 CCCCOCCOCCOCC(=O)[O-] 34a_100011215186_100020667443 [0,1,0,0,0,0|3,0,0]=4 6453 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [0,1,0,0,0,0|2,0,0]=3 6454 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [0,1,0,0,0,0|2,0,0]=3 6455 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000042594_100000743108 [0,1,0,0,0,0|1,0,0]=2 6456 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000743108_100000042594 [0,1,0,0,0,0|1,0,0]=2 6457 B14R0.394 CCCCOCCSCCCOC(=S)C 62a_100000743108_200135323944 [0,1,0,0,0,0|1,1,0]=3 6458 B14R0.394 CCCCOCCSCCCOC(=S)C 62a_200135323944_100000743108 [0,1,0,0,0,0|1,1,0]=3 6459 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000038929_100000743108 [0,1,0,0,0,0|1,1,0]=3 6460 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000743108_100000038929 [0,1,0,0,0,0|1,1,0]=3 6461 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000076697_100000743108 [0,1,0,0,0,0|3,0,0]=4 6462 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000743108_100000076697 [0,1,0,0,0,0|3,0,0]=4 6463 B14R0.394 CCCCOCNCCCCNC(=O)C 2230a_200011368371_100011995733 [0,1,0,0,0,0|2,0,0]=3 6464 B14R0.394 CCCCOCNCCCCNC(=O)C 34a_200011368371_100011995733 [0,1,0,0,0,0|2,0,0]=3 6465 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [0,1,0,0,0,0|3,0,0]=4 6466 B14R0.394 CCCCOCOCCCCOC(=O)C 34a_100000073216_100011995733 [0,1,0,0,0,0|1,0,0]=2 6467 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [0,1,0,0,0,0|3,0,0]=4 6468 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [0,1,0,0,0,0|3,0,0]=4 6469 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100000033659_100011995733 [0,1,0,0,0,0|1,0,0]=2 6470 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100011995733_100000033659 [0,1,0,0,0,0|1,0,0]=2 6471 B14R0.394 CCCCOCSCCCCO[N+](=O)[O-] 62a_100011995733_100015694321 [0,1,0,0,0,0|3,0,0]=4 6472 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_100011995733_200010402107 [0,1,0,0,0,0|1,1,0]=3 6473 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_200010402107_100011995733 [0,1,0,0,0,0|1,1,0]=3 6474 B14R0.394 CCCCOCSCOCCOC(=O)C 62a_100000076355_100011995733 [0,1,0,0,0,0|2,0,0]=3 6475 B14R0.394 CCCCOCSCOCCOC(=O)C 62a_100011995733_100000076355 [0,1,0,0,0,0|2,0,0]=3 6476 B14R0.394 CCCCSCCNCCCOC(=S)C 2230a_100025743550_200135323944 [0,1,0,0,0,0|1,1,0]=3 6477 B14R0.394 CCCCSCCNCCCSC(=O)C 2230a_100025743550_100000038929 [0,1,0,0,0,0|1,1,0]=3 6478 B14R0.394 CCCCSCCNCCOCC(=O)N 2230a_100025743550_100000076697 [0,1,0,0,0,0|3,0,0]=4 6479 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [0,1,0,0,0,0|2,0,0]=3 6480 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [0,1,0,0,0,0|2,0,0]=3 6481 B14R0.394 CCCCSCCOCCCOC(=O)C 34a_200000230436_100000042594 [0,1,0,0,0,0|1,0,0]=2 6482 B14R0.394 CCCCSCCOCCCOC(=O)C 7a_200000230436_100000042594 [0,1,0,0,0,0|1,0,0]=2 6483 B14R0.394 CCCCSCCOCCCOC(=S)C 34a_200000230436_200135323944 [0,1,0,0,0,0|1,1,0]=3 6484 B14R0.394 CCCCSCCOCCCOC(=S)C 7a_200000230436_200135323944 [0,1,0,0,0,0|1,1,0]=3 6485 B14R0.394 CCCCSCCOCCCSC(=O)C 34a_200000230436_100000038929 [0,1,0,0,0,0|1,1,0]=3 6486 B14R0.394 CCCCSCCOCCCSC(=O)C 7a_200000230436_100000038929 [0,1,0,0,0,0|1,1,0]=3 6487 B14R0.394 CCCCSCCOCCOCC(=O)N 34a_200000230436_100000076697 [0,1,0,0,0,0|3,0,0]=4 6488 B14R0.394 CCCCSCCOCCOCC(=O)N 7a_200000230436_100000076697 [0,1,0,0,0,0|3,0,0]=4 6489 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [0,1,0,0,0,0|2,0,0]=3 6490 B14R0.394 CCCOCCCNCCCOC(=O)C 34a_100011217757_100000042594 [0,1,0,0,0,0|1,0,0]=2 6491 B14R0.394 CCCOCCCNCCCOC(=S)C 2230a_100011217757_200135323944 [0,1,0,0,0,0|1,1,0]=3 6492 B14R0.394 CCCOCCCNCCCOC(=S)C 34a_100011217757_200135323944 [0,1,0,0,0,0|1,1,0]=3 6493 B14R0.394 CCCOCCCNCCCSC(=O)C 2230a_100011217757_100000038929 [0,1,0,0,0,0|1,1,0]=3 6494 B14R0.394 CCCOCCCNCCCSC(=O)C 34a_100011217757_100000038929 [0,1,0,0,0,0|1,1,0]=3 6495 B14R0.394 CCCOCCCNCCOCC(=O)N 2230a_100011217757_100000076697 [0,1,0,0,0,0|3,0,0]=4 6496 B14R0.394 CCCOCCCNCCOCC(=O)N 34a_100011217757_100000076697 [0,1,0,0,0,0|3,0,0]=4 6497 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [0,1,0,0,0,0|3,0,0]=4 6498 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [0,1,0,0,0,0|3,0,0]=4 6499 B14R0.394 CCCOCCNCCCCNC(=O)C 2230a_200011368371_100011215938 [0,1,0,0,0,0|2,0,0]=3 6500 B14R0.394 CCCOCCNCCCCNC(=O)C 34a_200011368371_100011215938 [0,1,0,0,0,0|2,0,0]=3 6501 B14R0.394 CCCOCCNCCCCOC(=O)C 34a_100161115042_100000033659 [0,1,0,0,0,0|1,0,0]=2 6502 B14R0.394 CCCOCCNCCCCO[N+](=O)[O-] 34a_100161115042_100015694321 [0,1,0,0,0,0|3,0,0]=4 6503 B14R0.394 CCCOCCNCCCCSC(=O)C 2230a_100161115042_200010402107 [0,1,0,0,0,0|1,1,0]=3 6504 B14R0.394 CCCOCCNCCCCSC(=O)C 34a_100161115042_200010402107 [0,1,0,0,0,0|1,1,0]=3 6505 B14R0.394 CCCOCCNCOCCOC(=O)C 34a_100161115042_100000076355 [0,1,0,0,0,0|2,0,0]=3 6506 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [0,1,0,0,0,0|3,0,0]=4 6507 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [0,1,0,0,0,0|3,0,0]=4 6508 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [0,1,0,0,0,0|3,0,0]=4 6509 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [0,1,0,0,0,0|3,0,0]=4 6510 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [0,1,0,0,0,0|3,0,0]=4 6511 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000073216_100011215938 [0,1,0,0,0,0|1,0,0]=2 6512 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000752267_100000033659 [0,1,0,0,0,0|1,0,0]=2 6513 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000073216_100011215938 [0,1,0,0,0,0|1,0,0]=2 6514 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000752267_100000033659 [0,1,0,0,0,0|1,0,0]=2 6515 B14R0.394 CCCOCCOCCCCO[N+](=O)[O-] 34a_100000752267_100015694321 [0,1,0,0,0,0|3,0,0]=4 6516 B14R0.394 CCCOCCOCCCCO[N+](=O)[O-] 7a_100000752267_100015694321 [0,1,0,0,0,0|3,0,0]=4 6517 B14R0.394 CCCOCCOCCCCSC(=O)C 34a_100000752267_200010402107 [0,1,0,0,0,0|1,1,0]=3 6518 B14R0.394 CCCOCCOCCCCSC(=O)C 7a_100000752267_200010402107 [0,1,0,0,0,0|1,1,0]=3 6519 B14R0.394 CCCOCCOCCNCOC(=O)C 34a_200011904461_100009813279 [0,1,0,0,0,0|2,0,0]=3 6520 B14R0.394 CCCOCCOCOCCOC(=O)C 34a_100000752267_100000076355 [0,1,0,0,0,0|2,0,0]=3 6521 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [0,1,0,0,0,0|3,0,0]=4 6522 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [0,1,0,0,0,0|3,0,0]=4 6523 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100000033659_100011215938 [0,1,0,0,0,0|1,0,0]=2 6524 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100011215938_100000033659 [0,1,0,0,0,0|1,0,0]=2 6525 B14R0.394 CCCOCCSCCCCO[N+](=O)[O-] 62a_100011215938_100015694321 [0,1,0,0,0,0|3,0,0]=4 6526 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_100011215938_200010402107 [0,1,0,0,0,0|1,1,0]=3 6527 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_200010402107_100011215938 [0,1,0,0,0,0|1,1,0]=3 6528 B14R0.394 CCCOCCSCOCCOC(=O)C 62a_100000076355_100011215938 [0,1,0,0,0,0|2,0,0]=3 6529 B14R0.394 CCCOCCSCOCCOC(=O)C 62a_100011215938_100000076355 [0,1,0,0,0,0|2,0,0]=3 6530 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [0,1,0,0,0,0|3,0,0]=4 6531 B14R0.394 CCCSCCNCCCCSC(=O)C 2230a_100020603323_200010402107 [0,1,0,0,0,0|1,1,0]=3 6532 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [0,1,0,0,0,0|3,0,0]=4 6533 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [0,1,0,0,0,0|3,0,0]=4 6534 B14R0.394 CCCSCCOCCCCOC(=O)C 34a_200000230433_100000033659 [0,1,0,0,0,0|1,0,0]=2 6535 B14R0.394 CCCSCCOCCCCOC(=O)C 7a_200000230433_100000033659 [0,1,0,0,0,0|1,0,0]=2 6536 B14R0.394 CCCSCCOCCCCO[N+](=O)[O-] 34a_200000230433_100015694321 [0,1,0,0,0,0|3,0,0]=4 6537 B14R0.394 CCCSCCOCCCCO[N+](=O)[O-] 7a_200000230433_100015694321 [0,1,0,0,0,0|3,0,0]=4 6538 B14R0.394 CCCSCCOCCCCSC(=O)C 34a_200000230433_200010402107 [0,1,0,0,0,0|1,1,0]=3 6539 B14R0.394 CCCSCCOCCCCSC(=O)C 7a_200000230433_200010402107 [0,1,0,0,0,0|1,1,0]=3 6540 B14R0.394 CCCSCCOCOCCOC(=O)C 34a_200000230433_100000076355 [0,1,0,0,0,0|2,0,0]=3 6541 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [0,1,0,0,0,0|3,0,0]=4 6542 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [0,1,0,0,0,0|3,0,0]=4 6543 B14R0.394 CCOCCCNCCCCNC(=O)C 2230a_200011368371_100012232248 [0,1,0,0,0,0|2,0,0]=3 6544 B14R0.394 CCOCCCNCCCCNC(=O)C 34a_200011368371_100012232248 [0,1,0,0,0,0|2,0,0]=3 6545 B14R0.394 CCOCCCNCCCCOC(=O)C 34a_100000210961_100000033659 [0,1,0,0,0,0|1,0,0]=2 6546 B14R0.394 CCOCCCNCCCCO[N+](=O)[O-] 34a_100000210961_100015694321 [0,1,0,0,0,0|3,0,0]=4 6547 B14R0.394 CCOCCCNCCCCSC(=O)C 2230a_100000210961_200010402107 [0,1,0,0,0,0|1,1,0]=3 6548 B14R0.394 CCOCCCNCCCCSC(=O)C 34a_100000210961_200010402107 [0,1,0,0,0,0|1,1,0]=3 6549 B14R0.394 CCOCCCNCOCCOC(=O)C 34a_100000210961_100000076355 [0,1,0,0,0,0|2,0,0]=3 6550 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [0,1,0,0,0,0|3,0,0]=4 6551 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [0,1,0,0,0,0|3,0,0]=4 6552 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [0,1,0,0,0,0|3,0,0]=4 6553 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [0,1,0,0,0,0|3,0,0]=4 6554 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [0,1,0,0,0,0|3,0,0]=4 6555 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000073216_100012232248 [0,1,0,0,0,0|1,0,0]=2 6556 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000757476_100000033659 [0,1,0,0,0,0|1,0,0]=2 6557 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000073216_100012232248 [0,1,0,0,0,0|1,0,0]=2 6558 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000757476_100000033659 [0,1,0,0,0,0|1,0,0]=2 6559 B14R0.394 CCOCCCOCCCCO[N+](=O)[O-] 34a_100000757476_100015694321 [0,1,0,0,0,0|3,0,0]=4 6560 B14R0.394 CCOCCCOCCCCO[N+](=O)[O-] 7a_100000757476_100015694321 [0,1,0,0,0,0|3,0,0]=4 6561 B14R0.394 CCOCCCOCCCCSC(=O)C 34a_100000757476_200010402107 [0,1,0,0,0,0|1,1,0]=3 6562 B14R0.394 CCOCCCOCCCCSC(=O)C 7a_100000757476_200010402107 [0,1,0,0,0,0|1,1,0]=3 6563 B14R0.394 CCOCCCOCOCCOC(=O)C 34a_100000757476_100000076355 [0,1,0,0,0,0|2,0,0]=3 6564 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [0,1,0,0,0,0|3,0,0]=4 6565 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [0,1,0,0,0,0|3,0,0]=4 6566 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100000033659_100012232248 [0,1,0,0,0,0|1,0,0]=2 6567 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100012232248_100000033659 [0,1,0,0,0,0|1,0,0]=2 6568 B14R0.394 CCOCCCSCCCCO[N+](=O)[O-] 62a_100012232248_100015694321 [0,1,0,0,0,0|3,0,0]=4 6569 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_100012232248_200010402107 [0,1,0,0,0,0|1,1,0]=3 6570 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_200010402107_100012232248 [0,1,0,0,0,0|1,1,0]=3 6571 B14R0.394 CCOCCCSCOCCOC(=O)C 62a_100000076355_100012232248 [0,1,0,0,0,0|2,0,0]=3 6572 B14R0.394 CCOCCCSCOCCOC(=O)C 62a_100012232248_100000076355 [0,1,0,0,0,0|2,0,0]=3 6573 B14R0.394 CCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215890 [0,1,0,0,0,0|2,0,0]=3 6574 B14R0.394 CCOCCNCCCCCNC(=O)C 34a_200012022750_100000210147 [0,1,0,0,0,0|2,0,0]=3 6575 B14R0.394 CCOCCNCCCCCOC(=O)C 2230a_102516460346_100009813381 [0,1,0,0,0,0|1,0,0]=2 6576 B14R0.394 CCOCCNCCCCCOC(=O)C 34a_102516460346_100000033007 [0,1,0,0,0,0|1,0,0]=2 6577 B14R0.394 CCOCCNCCOCCOC(=O)C 2230a_102516460346_200000083610 [0,1,0,0,0,0|2,0,0]=3 6578 B14R0.394 CCOCCNCCOCCOC(=O)C 34a_102516460346_200000083610 [0,1,0,0,0,0|2,0,0]=3 6579 B14R0.394 CCOCCOCCCCCOC(=O)C 34a_100000210136_100000033007 [0,1,0,0,0,0|1,0,0]=2 6580 B14R0.394 CCOCCOCCCCCOC(=O)C 7a_100000210136_100000033007 [0,1,0,0,0,0|1,0,0]=2 6581 B14R0.394 CCOCCOCCNCCCC(=O)C 34a_100102712874_100000685027 [0,1,0,0,0,0|3,0,0]=4 6582 B14R0.394 CCOCCOCCNCCNC(=O)C 2230a_100000209853_100011211534 [0,1,0,0,0,0|3,0,0]=4 6583 B14R0.394 CCOCCOCCNCCNC(=O)C 2230a_100102712874_100000189650 [0,1,0,0,0,0|3,0,0]=4 6584 B14R0.394 CCOCCOCCNCCOC(=O)C 34a_100102712874_100009814007 [0,1,0,0,0,0|2,0,0]=3 6585 B14R0.394 CCOCCOCCNCCOC(=O)N 34a_100102712874_200011214921 [0,1,0,0,0,0|3,0,0]=4 6586 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000210240_100000685027 [0,1,0,0,0,0|3,0,0]=4 6587 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000759063_100011211534 [0,1,0,0,0,0|3,0,0]=4 6588 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000210240_100011215641 [0,1,0,0,0,0|3,0,0]=4 6589 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000759063_100011211534 [0,1,0,0,0,0|3,0,0]=4 6590 B14R0.394 CCOCCOCCOCCNC(=O)C 1626a_100012282185_100015343762 [0,1,0,0,0,0|3,0,0]=4 6591 B14R0.394 CCOCCOCCOCCNC(=O)C 240690a_100012282185_100015343762 [0,1,0,0,0,0|3,0,0]=4 6592 B14R0.394 CCOCCOCCOCCNC(=O)C 34a_100000158858_100011211534 [0,1,0,0,0,0|3,0,0]=4 6593 B14R0.394 CCOCCOCCOCCNC(=O)C 7a_100000210240_100000189650 [0,1,0,0,0,0|3,0,0]=4 6594 B14R0.394 CCOCCOCCOCCOC(=O)C 34a_100000210136_200000083610 [0,1,0,0,0,0|2,0,0]=3 6595 B14R0.394 CCOCCOCCOCCOC(=O)C 34a_100000210240_100009814007 [0,1,0,0,0,0|2,0,0]=3 6596 B14R0.394 CCOCCOCCOCCOC(=O)C 7a_100000210136_200000083610 [0,1,0,0,0,0|2,0,0]=3 6597 B14R0.394 CCOCCOCCOCCOC(=O)C 7a_100000210240_100009814007 [0,1,0,0,0,0|2,0,0]=3 6598 B14R0.394 CCOCCOCCOCCOC(=O)N 34a_100000210240_200011214921 [0,1,0,0,0,0|3,0,0]=4 6599 B14R0.394 CCOCCOCCOCCOC(=O)N 7a_100000210240_200011214921 [0,1,0,0,0,0|3,0,0]=4 6600 B14R0.394 CCOCCOCCOCCOC(=O)N 7a_100000766696_100011211534 [0,1,0,0,0,0|3,0,0]=4 6601 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011211534_100011215641 [0,1,0,0,0,0|3,0,0]=4 6602 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011215641_100011211534 [0,1,0,0,0,0|3,0,0]=4 6603 B14R0.394 CCOCCOCCSCCNC(=O)C 62a_100000189650_100011211534 [0,1,0,0,0,0|3,0,0]=4 6604 B14R0.394 CCOCCOCCSCCNC(=O)C 62a_100011211534_100000189650 [0,1,0,0,0,0|3,0,0]=4 6605 B14R0.394 CCOCCOCCSCCOC(=O)C 62a_100009814007_100011211534 [0,1,0,0,0,0|2,0,0]=3 6606 B14R0.394 CCOCCOCCSCCOC(=O)C 62a_100011211534_100009814007 [0,1,0,0,0,0|2,0,0]=3 6607 B14R0.394 CCOCCOCCSCCOC(=O)N 62a_100011211534_200011214921 [0,1,0,0,0,0|3,0,0]=4 6608 B14R0.394 CCOCCOCCSCCOC(=O)N 62a_200011214921_100011211534 [0,1,0,0,0,0|3,0,0]=4 6609 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000033007_100011215890 [0,1,0,0,0,0|1,0,0]=2 6610 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000210147_100000033007 [0,1,0,0,0,0|1,0,0]=2 6611 B14R0.394 CCOCCSCCOCCOC(=O)C 62a_100000210147_200000083610 [0,1,0,0,0,0|2,0,0]=3 6612 B14R0.394 CCOCCSCCOCCOC(=O)C 62a_200000083610_100011215890 [0,1,0,0,0,0|2,0,0]=3 6613 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [0,1,0,0,0,0|3,0,0]=4 6614 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [0,1,0,0,0,0|3,0,0]=4 6615 B14R0.394 CCSCCCOCCCCOC(=O)C 34a_100011216438_100000033659 [0,1,0,0,0,0|1,0,0]=2 6616 B14R0.394 CCSCCCOCCCCOC(=O)C 7a_100011216438_100000033659 [0,1,0,0,0,0|1,0,0]=2 6617 B14R0.394 CCSCCCOCCCCO[N+](=O)[O-] 34a_100011216438_100015694321 [0,1,0,0,0,0|3,0,0]=4 6618 B14R0.394 CCSCCCOCCCCO[N+](=O)[O-] 7a_100011216438_100015694321 [0,1,0,0,0,0|3,0,0]=4 6619 B14R0.394 CCSCCCOCCCCSC(=O)C 34a_100011216438_200010402107 [0,1,0,0,0,0|1,1,0]=3 6620 B14R0.394 CCSCCCOCCCCSC(=O)C 7a_100011216438_200010402107 [0,1,0,0,0,0|1,1,0]=3 6621 B14R0.394 CCSCCCOCOCCOC(=O)C 34a_100011216438_100000076355 [0,1,0,0,0,0|2,0,0]=3 6622 B14R0.394 CCSCCNCCCCCNC(=O)C 2230a_200012022750_100000757381 [0,1,0,0,0,0|2,0,0]=3 6623 B14R0.394 CCSCCNCCCCCNC(=O)C 34a_200012022750_100000757381 [0,1,0,0,0,0|2,0,0]=3 6624 B14R0.394 CCSCCNCCCCCOC(=O)C 2230a_100000106463_100009813381 [0,1,0,0,0,0|1,0,0]=2 6625 B14R0.394 CCSCCNCCOCCOC(=O)C 2230a_100000106463_200000083610 [0,1,0,0,0,0|2,0,0]=3 6626 B14R0.394 CCSCCOCCCCCOC(=O)C 34a_100000212035_100000033007 [0,1,0,0,0,0|1,0,0]=2 6627 B14R0.394 CCSCCOCCCCCOC(=O)C 7a_100000212035_100000033007 [0,1,0,0,0,0|1,0,0]=2 6628 B14R0.394 CCSCCOCCOCCOC(=O)C 34a_100000212035_200000083610 [0,1,0,0,0,0|2,0,0]=3 6629 B14R0.394 CCSCCOCCOCCOC(=O)C 7a_100000212035_200000083610 [0,1,0,0,0,0|2,0,0]=3 6630 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000033007_100000757381 [0,1,0,0,0,0|1,0,0]=2 6631 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000757381_100000033007 [0,1,0,0,0,0|1,0,0]=2 6632 B14R0.394 CCSCCSCCOCCOC(=O)C 62a_100000757381_200000083610 [0,1,0,0,0,0|2,0,0]=3 6633 B14R0.394 CCSCCSCCOCCOC(=O)C 62a_200000083610_100000757381 [0,1,0,0,0,0|2,0,0]=3 6634 B14R0.394 CN(C)CCCCCCCCCCCO 2230a_100102631434_100009812471 [0,1,0,0,0,0|3,0,0]=4 6635 B14R0.394 CN(C)CCCCCCCCCCCO 269982a_100102631434_100009812471 [0,1,0,0,0,0|3,0,0]=4 6636 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [0,1,0,0,0,0|2,0,0]=3 6637 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [0,1,0,0,0,0|2,0,0]=3 6638 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [0,1,0,0,0,0|2,0,0]=3 6639 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [0,1,0,0,0,0|2,0,0]=3 6640 B14R0.394 CNCCCCCOCCCOC(=O)C 34a_100000722520_100000042594 [0,1,0,0,0,0|1,0,0]=2 6641 B14R0.394 CNCCCCCOCCCOC(=S)C 34a_100000722520_200135323944 [0,1,0,0,0,0|1,1,0]=3 6642 B14R0.394 CNCCCCCOCCCSC(=O)C 34a_100000722520_100000038929 [0,1,0,0,0,0|1,1,0]=3 6643 B14R0.394 CNCCCCCOCCOCC(=O)N 34a_100000722520_100000076697 [0,1,0,0,0,0|3,0,0]=4 6644 B14R0.394 CNCCCOCCCCCOC(=O)C 34a_100000213112_100000033007 [0,1,0,0,0,0|1,0,0]=2 6645 B14R0.394 CNCCCOCCOCCOC(=O)C 34a_100000213112_200000083610 [0,1,0,0,0,0|2,0,0]=3 6646 B14R0.394 CNCCOCCOCCCCC(=O)C 34a_100000228057_100009817362 [0,1,0,0,0,0|3,0,0]=4 6647 B14R0.394 CNCCOCCOCCCOC(=O)C 34a_100000228057_100000042594 [0,1,0,0,0,0|2,0,0]=3 6648 B14R0.394 CNCCOCCOCCCOC(=S)C 34a_100000228057_200135323944 [0,1,0,0,0,0|2,1,0]=4 6649 B14R0.394 CNCCOCCOCCCSC(=O)C 34a_100000228057_100000038929 [0,1,0,0,0,0|2,1,0]=4 6650 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [0,1,0,0,0,0|2,0,0]=3 6651 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [0,1,0,0,0,0|3,0,0]=4 6652 B14R0.394 COCCCCCCNCCCS(=O)C 2230a_200000753449_100011998445 [0,1,0,0,0,0|3,0,0]=4 6653 B14R0.394 COCCCCCCNCCNC(=O)C 2230a_100000209853_100011998445 [0,1,0,0,0,0|2,0,0]=3 6654 B14R0.394 COCCCCCCNCCNC(=O)N 34a_100020590234_100011998445 [0,1,0,0,0,0|3,0,0]=4 6655 B14R0.394 COCCCCCCNCCOC(C)C 2230a_100000701111_100011998445 [0,1,0,0,0,0|2,0,1]=4 6656 B14R0.394 COCCCCCCNCCOC(C)C 34a_100000701111_100011998445 [0,1,0,0,0,0|2,0,1]=4 6657 B14R0.394 COCCCCCCOCCC=C(C)C 34a_200012092642_100011217483 [0,1,0,0,0,0|3,0,0]=4 6658 B14R0.394 COCCCCCCOCCC=C(C)C 7a_200012092642_100011217483 [0,1,0,0,0,0|3,0,0]=4 6659 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [0,1,0,0,0,0|2,0,0]=3 6660 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [0,1,0,0,0,0|2,0,0]=3 6661 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [0,1,0,0,0,0|2,0,0]=3 6662 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [0,1,0,0,0,0|2,0,0]=3 6663 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [0,1,0,0,0,0|3,0,0]=4 6664 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [0,1,0,0,0,0|3,0,0]=4 6665 B14R0.394 COCCCCCCOCCNC(=O)C 34a_100000158858_100011998445 [0,1,0,0,0,0|2,0,0]=3 6666 B14R0.394 COCCCCCCOCCNC(=O)C 7a_200012092642_100000189650 [0,1,0,0,0,0|2,0,0]=3 6667 B14R0.394 COCCCCCCOCCNC(=O)N 34a_100000181757_100011998445 [0,1,0,0,0,0|3,0,0]=4 6668 B14R0.394 COCCCCCCOCCNC(=O)N 7a_200012092642_200000034859 [0,1,0,0,0,0|3,0,0]=4 6669 B14R0.394 COCCCCCCOCCOC(=O)C 34a_200012092642_100009814007 [0,1,0,0,0,0|1,0,0]=2 6670 B14R0.394 COCCCCCCOCCOC(=O)C 7a_200012092642_100009814007 [0,1,0,0,0,0|1,0,0]=2 6671 B14R0.394 COCCCCCCOCCOC(=O)N 34a_200012092642_200011214921 [0,1,0,0,0,0|2,0,0]=3 6672 B14R0.394 COCCCCCCOCCOC(=O)N 7a_100000766696_100011998445 [0,1,0,0,0,0|2,0,0]=3 6673 B14R0.394 COCCCCCCOCCOC(=O)N 7a_200012092642_200011214921 [0,1,0,0,0,0|2,0,0]=3 6674 B14R0.394 COCCCCCCOCCOC(C)C 34a_100000211219_100011998445 [0,1,0,0,0,0|2,0,1]=4 6675 B14R0.394 COCCCCCCOCCOC(C)C 34a_200012092642_100000211751 [0,1,0,0,0,0|2,0,1]=4 6676 B14R0.394 COCCCCCCOCCOC(C)C 7a_100000211219_100011998445 [0,1,0,0,0,0|2,0,1]=4 6677 B14R0.394 COCCCCCCOCCOC(C)C 7a_200012092642_100000211751 [0,1,0,0,0,0|2,0,1]=4 6678 B14R0.394 COCCCCCCSCCC=C(C)C 62a_100011217483_100011998445 [0,1,0,0,0,0|3,0,0]=4 6679 B14R0.394 COCCCCCCSCCC=C(C)C 62a_100011998445_100011217483 [0,1,0,0,0,0|3,0,0]=4 6680 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [0,1,0,0,0,0|2,0,0]=3 6681 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [0,1,0,0,0,0|2,0,0]=3 6682 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [0,1,0,0,0,0|3,0,0]=4 6683 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [0,1,0,0,0,0|3,0,0]=4 6684 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100000189650_100011998445 [0,1,0,0,0,0|2,0,0]=3 6685 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100011998445_100000189650 [0,1,0,0,0,0|2,0,0]=3 6686 B14R0.394 COCCCCCCSCCNC(=O)N 62a_100011998445_200000034859 [0,1,0,0,0,0|3,0,0]=4 6687 B14R0.394 COCCCCCCSCCNC(=O)N 62a_200000034859_100011998445 [0,1,0,0,0,0|3,0,0]=4 6688 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100009814007_100011998445 [0,1,0,0,0,0|1,0,0]=2 6689 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100011998445_100009814007 [0,1,0,0,0,0|1,0,0]=2 6690 B14R0.394 COCCCCCCSCCOC(=O)N 62a_100011998445_200011214921 [0,1,0,0,0,0|2,0,0]=3 6691 B14R0.394 COCCCCCCSCCOC(=O)N 62a_200011214921_100011998445 [0,1,0,0,0,0|2,0,0]=3 6692 B14R0.394 COCCCCCCSCCOC(C)C 62a_100000211751_100011998445 [0,1,0,0,0,0|2,0,1]=4 6693 B14R0.394 COCCCCCCSCCOC(C)C 62a_100011998445_100000211751 [0,1,0,0,0,0|2,0,1]=4 6694 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [0,1,0,0,0,0|2,0,0]=3 6695 B14R0.394 COCCCCCNCCCOC(=O)C 34a_100000747528_100000042594 [0,1,0,0,0,0|1,0,0]=2 6696 B14R0.394 COCCCCCNCCCOC(=S)C 2230a_100000747528_200135323944 [0,1,0,0,0,0|1,1,0]=3 6697 B14R0.394 COCCCCCNCCCOC(=S)C 34a_100000747528_200135323944 [0,1,0,0,0,0|1,1,0]=3 6698 B14R0.394 COCCCCCNCCCSC(=O)C 2230a_100000747528_100000038929 [0,1,0,0,0,0|1,1,0]=3 6699 B14R0.394 COCCCCCNCCCSC(=O)C 34a_100000747528_100000038929 [0,1,0,0,0,0|1,1,0]=3 6700 B14R0.394 COCCCCCNCCOCC(=O)N 2230a_100000747528_100000076697 [0,1,0,0,0,0|3,0,0]=4 6701 B14R0.394 COCCCCCNCCOCC(=O)N 34a_100000747528_100000076697 [0,1,0,0,0,0|3,0,0]=4 6702 B14R0.394 COCCCCNCCCCNC(=O)C 2230a_200011368371_100000730899 [0,1,0,0,0,0|2,0,0]=3 6703 B14R0.394 COCCCCNCCCCNC(=O)C 34a_200011368371_100000755781 [0,1,0,0,0,0|2,0,0]=3 6704 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [0,1,0,0,0,0|3,0,0]=4 6705 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [0,1,0,0,0,0|3,0,0]=4 6706 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [0,1,0,0,0,0|3,0,0]=4 6707 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [0,1,0,0,0,0|3,0,0]=4 6708 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000073216_100000755781 [0,1,0,0,0,0|1,0,0]=2 6709 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000740925_100000033659 [0,1,0,0,0,0|1,0,0]=2 6710 B14R0.394 COCCCCOCCCCOC(=O)C 7a_100000073216_100000730899 [0,1,0,0,0,0|1,0,0]=2 6711 B14R0.394 COCCCCOCCCCO[N+](=O)[O-] 34a_100000740925_100015694321 [0,1,0,0,0,0|3,0,0]=4 6712 B14R0.394 COCCCCOCCCCSC(=O)C 34a_100000740925_200010402107 [0,1,0,0,0,0|1,1,0]=3 6713 B14R0.394 COCCCCOCOCCOC(=O)C 34a_100000740925_100000076355 [0,1,0,0,0,0|2,0,0]=3 6714 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [0,1,0,0,0,0|3,0,0]=4 6715 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [0,1,0,0,0,0|3,0,0]=4 6716 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000033659_100000730899 [0,1,0,0,0,0|1,0,0]=2 6717 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000730899_100000033659 [0,1,0,0,0,0|1,0,0]=2 6718 B14R0.394 COCCCCSCCCCO[N+](=O)[O-] 62a_100000730899_100015694321 [0,1,0,0,0,0|3,0,0]=4 6719 B14R0.394 COCCCCSCCCCSC(=O)C 62a_100000730899_200010402107 [0,1,0,0,0,0|1,1,0]=3 6720 B14R0.394 COCCCCSCCCCSC(=O)C 62a_200010402107_100000730899 [0,1,0,0,0,0|1,1,0]=3 6721 B14R0.394 COCCCCSCOCCOC(=O)C 62a_100000076355_100000730899 [0,1,0,0,0,0|2,0,0]=3 6722 B14R0.394 COCCCCSCOCCOC(=O)C 62a_100000730899_100000076355 [0,1,0,0,0,0|2,0,0]=3 6723 B14R0.394 COCCCNCCCCCNC(=O)C 2230a_200012022750_100000740836 [0,1,0,0,0,0|2,0,0]=3 6724 B14R0.394 COCCCNCCCCCNC(=O)C 34a_200012022750_100000740836 [0,1,0,0,0,0|2,0,0]=3 6725 B14R0.394 COCCCNCCCCCOC(=O)C 34a_100150723488_100000033007 [0,1,0,0,0,0|1,0,0]=2 6726 B14R0.394 COCCCNCCOCCOC(=O)C 34a_100150723488_200000083610 [0,1,0,0,0,0|2,0,0]=3 6727 B14R0.394 COCCCOCCCCCOC(=O)C 34a_100000740835_100000033007 [0,1,0,0,0,0|1,0,0]=2 6728 B14R0.394 COCCCOCCCOCCC(=O)C 7a_200011215475_100000053229 [0,1,0,0,0,0|3,0,0]=4 6729 B14R0.394 COCCCOCCCOCOC(=O)C 34a_200011215475_100009813279 [0,1,0,0,0,0|2,0,0]=3 6730 B14R0.394 COCCCOCCOCCOC(=O)C 34a_100000740835_200000083610 [0,1,0,0,0,0|2,0,0]=3 6731 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000033007_100000709357 [0,1,0,0,0,0|1,0,0]=2 6732 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000709357_100000033007 [0,1,0,0,0,0|1,0,0]=2 6733 B14R0.394 COCCCSCCOCCOC(=O)C 62a_100000709357_200000083610 [0,1,0,0,0,0|2,0,0]=3 6734 B14R0.394 COCCCSCCOCCOC(=O)C 62a_200000083610_100000709357 [0,1,0,0,0,0|2,0,0]=3 6735 B14R0.394 COCCNCCCCCCNC(=O)C 2230a_200011996284_100011201679 [0,1,0,0,0,0|2,0,0]=3 6736 B14R0.394 COCCNCCCCCCNC(=O)C 34a_200011996284_100011201679 [0,1,0,0,0,0|2,0,0]=3 6737 B14R0.394 COCCOCCCNCCCC(=O)C 34a_100000206027_100000685027 [0,1,0,0,0,0|3,0,0]=4 6738 B14R0.394 COCCOCCCNCCNC(=O)C 2230a_100000206027_100000189650 [0,1,0,0,0,0|3,0,0]=4 6739 B14R0.394 COCCOCCCNCCNC(=O)C 2230a_100000209853_100011216529 [0,1,0,0,0,0|3,0,0]=4 6740 B14R0.394 COCCOCCCNCCOC(=O)C 34a_100000206027_100009814007 [0,1,0,0,0,0|2,0,0]=3 6741 B14R0.394 COCCOCCCNCCOC(=O)N 34a_100000206027_200011214921 [0,1,0,0,0,0|3,0,0]=4 6742 B14R0.394 COCCOCCCOCCCC(=O)C 34a_100000759063_100011216529 [0,1,0,0,0,0|3,0,0]=4 6743 B14R0.394 COCCOCCCOCCCC(=O)C 7a_100000759063_100011216529 [0,1,0,0,0,0|3,0,0]=4 6744 B14R0.394 COCCOCCCOCCNC(=O)C 34a_100000158858_100011216529 [0,1,0,0,0,0|3,0,0]=4 6745 B14R0.394 COCCOCCCOCCOC(=O)N 7a_100000766696_100011216529 [0,1,0,0,0,0|3,0,0]=4 6746 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011215641_100011216529 [0,1,0,0,0,0|3,0,0]=4 6747 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011216529_100011215641 [0,1,0,0,0,0|3,0,0]=4 6748 B14R0.394 COCCOCCCSCCNC(=O)C 62a_100000189650_100011216529 [0,1,0,0,0,0|3,0,0]=4 6749 B14R0.394 COCCOCCCSCCNC(=O)C 62a_100011216529_100000189650 [0,1,0,0,0,0|3,0,0]=4 6750 B14R0.394 COCCOCCCSCCOC(=O)C 62a_100009814007_100011216529 [0,1,0,0,0,0|2,0,0]=3 6751 B14R0.394 COCCOCCCSCCOC(=O)C 62a_100011216529_100009814007 [0,1,0,0,0,0|2,0,0]=3 6752 B14R0.394 COCCOCCCSCCOC(=O)N 62a_100011216529_200011214921 [0,1,0,0,0,0|3,0,0]=4 6753 B14R0.394 COCCOCCCSCCOC(=O)N 62a_200011214921_100011216529 [0,1,0,0,0,0|3,0,0]=4 6754 B14R0.394 COCCOCCNCCCCC(=O)C 34a_100000745349_100009817362 [0,1,0,0,0,0|3,0,0]=4 6755 B14R0.394 COCCOCCNCCCNC(=O)C 34a_100000736810_100000695917 [0,1,0,0,0,0|3,0,0]=4 6756 B14R0.394 COCCOCCNCCCOC(=O)C 34a_100000745349_100000042594 [0,1,0,0,0,0|2,0,0]=3 6757 B14R0.394 COCCOCCNCCCOC(=S)C 2230a_100000745349_200135323944 [0,1,0,0,0,0|2,1,0]=4 6758 B14R0.394 COCCOCCNCCCOC(=S)C 34a_100000745349_200135323944 [0,1,0,0,0,0|2,1,0]=4 6759 B14R0.394 COCCOCCNCCCSC(=O)C 2230a_100000745349_100000038929 [0,1,0,0,0,0|2,1,0]=4 6760 B14R0.394 COCCOCCNCCCSC(=O)C 34a_100000745349_100000038929 [0,1,0,0,0,0|2,1,0]=4 6761 B14R0.394 COCCOCCOCCCCC(=O)C 34a_100011215163_100009817362 [0,1,0,0,0,0|3,0,0]=4 6762 B14R0.394 COCCOCCOCCCCC(=O)C 7a_100011215163_100000735457 [0,1,0,0,0,0|3,0,0]=4 6763 B14R0.394 COCCOCCOCCCNC(=O)C 34a_100000752032_100000695917 [0,1,0,0,0,0|3,0,0]=4 6764 B14R0.394 COCCOCCOCCCOC(=O)C 34a_100011215163_100000042594 [0,1,0,0,0,0|2,0,0]=3 6765 B14R0.394 COCCOCCOCCCOC(=O)C 7a_100011215163_100000042594 [0,1,0,0,0,0|2,0,0]=3 6766 B14R0.394 COCCOCCOCCCOC(=S)C 34a_100011215163_200135323944 [0,1,0,0,0,0|2,1,0]=4 6767 B14R0.394 COCCOCCOCCCOC(=S)C 7a_100011215163_200135323944 [0,1,0,0,0,0|2,1,0]=4 6768 B14R0.394 COCCOCCOCCCSC(=O)C 34a_100011215163_100000038929 [0,1,0,0,0,0|2,1,0]=4 6769 B14R0.394 COCCOCCOCCCSC(=O)C 7a_100011215163_100000038929 [0,1,0,0,0,0|2,1,0]=4 6770 B14R0.394 COCCOCCOCCOCC(=O)C 1458a_100012826494_200000210301 [0,1,0,0,0,0|3,0,0]=4 6771 B14R0.394 COCCOCCOCCOCC(=O)C 34a_100000211253_100013367474 [0,1,0,0,0,0|3,0,0]=4 6772 B14R0.394 COCCOCCOCCOCC(=O)[13CH3] 1458a_100012826494_200025704644 [0,1,0,0,0,0|3,0,0]=4 6773 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000695917_100000735457 [0,1,0,0,0,0|3,0,0]=4 6774 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000735457_100000695917 [0,1,0,0,0,0|3,0,0]=4 6775 B14R0.394 COCCOCCSCCCOC(=O)C 62a_100000042594_100000695917 [0,1,0,0,0,0|2,0,0]=3 6776 B14R0.394 COCCOCCSCCCOC(=O)C 62a_100000695917_100000042594 [0,1,0,0,0,0|2,0,0]=3 6777 B14R0.394 COCCOCCSCCCOC(=S)C 62a_100000695917_200135323944 [0,1,0,0,0,0|2,1,0]=4 6778 B14R0.394 COCCOCCSCCCOC(=S)C 62a_200135323944_100000695917 [0,1,0,0,0,0|2,1,0]=4 6779 B14R0.394 COCCOCCSCCCSC(=O)C 62a_100000038929_100000695917 [0,1,0,0,0,0|2,1,0]=4 6780 B14R0.394 COCCOCCSCCCSC(=O)C 62a_100000695917_100000038929 [0,1,0,0,0,0|2,1,0]=4 6781 B14R0.394 COCCOCNCCCCNC(=O)C 2230a_200011368371_100000231047 [0,1,0,0,0,0|3,0,0]=4 6782 B14R0.394 COCCOCSCCCCOC(=O)C 62a_100000033659_100000231047 [0,1,0,0,0,0|2,0,0]=3 6783 B14R0.394 COCCOCSCCCCOC(=O)C 62a_100000231047_100000033659 [0,1,0,0,0,0|2,0,0]=3 6784 B14R0.394 COCCOCSCCCCSC(=O)C 62a_100000231047_200010402107 [0,1,0,0,0,0|2,1,0]=4 6785 B14R0.394 COCCOCSCCCCSC(=O)C 62a_200010402107_100000231047 [0,1,0,0,0,0|2,1,0]=4 6786 B14R0.394 COCCOCSCOCCOC(=O)C 62a_100000076355_100000231047 [0,1,0,0,0,0|3,0,0]=4 6787 B14R0.394 COCCOCSCOCCOC(=O)C 62a_100000231047_100000076355 [0,1,0,0,0,0|3,0,0]=4 6788 B14R0.394 CS(=O)CCCNCCCCCCCO 2230a_200000753449_100000760002 [0,1,0,0,0,0|3,0,0]=4 6789 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [0,1,0,0,0,0|2,0,0]=3 6790 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [0,1,0,0,0,0|2,0,0]=3 6791 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [0,1,0,0,0,0|3,0,0]=4 6792 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [0,1,0,0,0,0|3,0,0]=4 6793 B14R0.394 CSCCCCOCCCCOC(=O)C 34a_100011217163_100000033659 [0,1,0,0,0,0|1,0,0]=2 6794 B14R0.394 CSCCCCOCCCCOC(=O)C 7a_100011217163_100000033659 [0,1,0,0,0,0|1,0,0]=2 6795 B14R0.394 CSCCCCOCCCCO[N+](=O)[O-] 34a_100011217163_100015694321 [0,1,0,0,0,0|3,0,0]=4 6796 B14R0.394 CSCCCCOCCCCO[N+](=O)[O-] 7a_100011217163_100015694321 [0,1,0,0,0,0|3,0,0]=4 6797 B14R0.394 CSCCCCOCCCCSC(=O)C 34a_100011217163_200010402107 [0,1,0,0,0,0|1,1,0]=3 6798 B14R0.394 CSCCCCOCCCCSC(=O)C 7a_100011217163_200010402107 [0,1,0,0,0,0|1,1,0]=3 6799 B14R0.394 CSCCCCOCOCCOC(=O)C 34a_100011217163_100000076355 [0,1,0,0,0,0|2,0,0]=3 6800 B14R0.394 CSCCCNCCCCCOC(=O)C 2230a_100000749238_100009813381 [0,1,0,0,0,0|1,0,0]=2 6801 B14R0.394 CSCCCNCCOCCOC(=O)C 2230a_100000749238_200000083610 [0,1,0,0,0,0|2,0,0]=3 6802 B14R0.394 CSCCCOCCCCCOC(=O)C 34a_100000690336_100000033007 [0,1,0,0,0,0|1,0,0]=2 6803 B14R0.394 CSCCCOCCCCCOC(=O)C 7a_100000690336_100000033007 [0,1,0,0,0,0|1,0,0]=2 6804 B14R0.394 CSCCCOCCOCCOC(=O)C 34a_100000690336_200000083610 [0,1,0,0,0,0|2,0,0]=3 6805 B14R0.394 CSCCCOCCOCCOC(=O)C 7a_100000690336_200000083610 [0,1,0,0,0,0|2,0,0]=3 6806 B14R0.394 CSCCNCCCCCCNC(=O)C 2230a_200011996284_100000751147 [0,1,0,0,0,0|2,0,0]=3 6807 B14R0.394 CSCCNCCCCCCNC(=O)C 34a_200011996284_100000212216 [0,1,0,0,0,0|2,0,0]=3 6808 B14R0.394 C[C@@H](Cl)COCCCCCCCCCO 34a_100016084084_100009813782 [0,1,0,0,0,0|2,0,1]=4 6809 B14R0.394 C[C@@H](N)COCCCCCCCCCO 34a_100000737577_100009813782 [0,1,0,0,0,0|2,0,1]=4 6810 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 34a_100009813782_100009817552 [0,1,0,0,0,0|1,0,2]=4 6811 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 7a_100009813782_100009817552 [0,1,0,0,0,0|1,0,2]=4 6812 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 34a_100009868337_100009817552 [0,1,0,0,0,0|1,0,2]=4 6813 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 7a_100009868337_100009817552 [0,1,0,0,0,0|1,0,2]=4 6814 B14R0.394 C[C@@H](O)COCCCCCCCCCN 34a_100000078944_100009817552 [0,1,0,0,0,0|1,0,2]=4 6815 B14R0.394 N#CCCCCCCOCCOC(=O)N 7a_100000766696_100009813337 [0,1,0,0,0,0|2,0,1]=4 6816 B14R0.394 N#CCCCCCCSCCOC(=O)N 62a_100009813337_200011214921 [0,1,0,0,0,0|2,0,1]=4 6817 B14R0.394 N#CCCCCCCSCCOC(=O)N 62a_200011214921_100009813337 [0,1,0,0,0,0|2,0,1]=4 6818 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [0,1,0,0,0,0|3,0,0]=4 6819 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [0,1,0,0,0,0|3,0,0]=4 6820 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [0,1,0,0,0,0|3,0,0]=4 6821 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [0,1,0,0,0,0|3,0,0]=4 6822 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [0,1,0,0,0,0|3,0,0]=4 6823 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [0,1,0,0,0,0|3,0,0]=4 6824 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [0,1,0,0,0,0|3,0,0]=4 6825 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [0,1,0,0,0,0|3,0,0]=4 6826 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [0,1,0,0,0,0|3,0,0]=4 6827 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [0,1,0,0,0,0|3,0,0]=4 6828 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [0,1,0,0,0,0|3,0,0]=4 6829 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [0,1,0,0,0,0|3,0,0]=4 6830 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [0,1,0,0,0,0|3,0,0]=4 6831 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [0,1,0,0,0,0|3,0,0]=4 6832 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [0,1,0,0,0,0|3,0,0]=4 6833 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [0,1,0,0,0,0|3,0,0]=4 6834 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [0,1,0,0,0,0|3,0,0]=4 6835 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [0,1,0,0,0,0|3,0,0]=4 6836 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [0,1,0,0,0,0|3,0,0]=4 6837 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [0,1,0,0,0,0|3,0,0]=4 6838 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [0,1,0,0,0,0|3,0,0]=4 6839 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [0,1,0,0,0,0|3,0,0]=4 6840 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [0,1,0,0,0,0|3,0,0]=4 6841 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [0,1,0,0,0,0|3,0,0]=4 6842 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [0,1,0,0,0,0|3,0,0]=4 6843 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [0,1,0,0,0,0|3,0,0]=4 6844 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [0,1,0,0,0,0|3,0,0]=4 6845 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [0,1,0,0,0,0|3,0,0]=4 6846 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [0,1,0,0,0,0|3,0,0]=4 6847 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [0,1,0,0,0,0|3,0,0]=4 6848 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [0,1,0,0,0,0|3,0,0]=4 6849 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [0,1,0,0,0,0|3,0,0]=4 6850 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [0,1,0,0,0,0|3,0,0]=4 6851 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [0,1,0,0,0,0|3,0,0]=4 6852 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [0,1,0,0,0,0|3,0,0]=4 6853 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [0,1,0,0,0,0|3,0,0]=4 6854 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [0,1,0,0,0,0|3,0,0]=4 6855 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [0,1,0,0,0,0|3,0,0]=4 6856 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [0,1,0,0,0,0|3,0,0]=4 6857 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [0,1,0,0,0,0|3,0,0]=4 6858 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [0,1,0,0,0,0|3,0,0]=4 6859 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [0,1,0,0,0,0|2,0,0]=3 6860 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [0,1,0,0,0,0|2,0,0]=3 6861 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [0,1,0,0,0,0|2,0,0]=3 6862 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [0,1,0,0,0,0|2,0,0]=3 6863 B14R0.394 NC(=O)COCCNCCCCCCO 2230a_100000686447_100000076697 [0,1,0,0,0,0|3,0,0]=4 6864 B14R0.394 NC(=O)COCCNCCCCCCO 34a_100000686447_100000076697 [0,1,0,0,0,0|3,0,0]=4 6865 B14R0.394 NC(=O)COCCOCCCCCCBr 34a_100011215345_100000076697 [0,1,0,0,0,0|3,0,0]=4 6866 B14R0.394 NC(=O)COCCOCCCCCCBr 7a_100011215345_100000076697 [0,1,0,0,0,0|3,0,0]=4 6867 B14R0.394 NC(=O)COCCOCCCCCCCl 34a_100000766143_100000076697 [0,1,0,0,0,0|3,0,0]=4 6868 B14R0.394 NC(=O)COCCOCCCCCCCl 7a_100000766143_100000076697 [0,1,0,0,0,0|3,0,0]=4 6869 B14R0.394 NC(=O)COCCOCCCCCCF 34a_100000732779_100000076697 [0,1,0,0,0,0|3,0,0]=4 6870 B14R0.394 NC(=O)COCCOCCCCCCF 7a_100000732779_100000076697 [0,1,0,0,0,0|3,0,0]=4 6871 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100000076697_100015922095 [0,1,0,0,0,0|3,0,0]=4 6872 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100015922095_100000076697 [0,1,0,0,0,0|3,0,0]=4 6873 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000076697_100000766143 [0,1,0,0,0,0|3,0,0]=4 6874 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000766143_100000076697 [0,1,0,0,0,0|3,0,0]=4 6875 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [0,1,0,0,0,0|2,1,0]=4 6876 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [0,1,0,0,0,0|2,1,0]=4 6877 B14R0.394 NC(=O)NCCNCCCCCCCO 2230a_100011996573_200000034859 [0,1,0,0,0,0|3,0,0]=4 6878 B14R0.394 NC(=O)NCCNCCCCCCCO 34a_100020590234_100000760002 [0,1,0,0,0,0|3,0,0]=4 6879 B14R0.394 NC(=O)NCCOCCCCCCCBr 7a_100000760002_200000034859 [0,1,0,0,0,0|3,0,0]=4 6880 B14R0.394 NC(=O)NCCOCCCCCCCO 34a_100000181757_100000760002 [0,1,0,0,0,0|3,0,0]=4 6881 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_100000760002_200000034859 [0,1,0,0,0,0|3,0,0]=4 6882 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_200000034859_100000760002 [0,1,0,0,0,0|3,0,0]=4 6883 B14R0.394 NC(=O)OCCNCCCCCCCO 34a_100011996573_200011214921 [0,1,0,0,0,0|2,0,0]=3 6884 B14R0.394 NC(=O)OCCNCCCOCCCO 34a_100011310245_200011214921 [0,1,0,0,0,0|3,0,0]=4 6885 B14R0.394 NC(=O)OCCOCCCCCCCBr 34a_100000760002_200011214921 [0,1,0,0,0,0|2,0,0]=3 6886 B14R0.394 NC(=O)OCCOCCCCCCCBr 7a_100000760002_200011214921 [0,1,0,0,0,0|2,0,0]=3 6887 B14R0.394 NC(=O)OCCOCCCCCCCO 7a_100000766696_100000760002 [0,1,0,0,0,0|2,0,0]=3 6888 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_100000760002_200011214921 [0,1,0,0,0,0|2,0,0]=3 6889 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_200011214921_100000760002 [0,1,0,0,0,0|2,0,0]=3 6890 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [0,1,0,0,0,0|2,0,0]=3 6891 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [0,1,0,0,0,0|2,0,0]=3 6892 B14R0.394 NCCCCCCCCCOC[N+](=O)[O-] 34a_100000078944_100000761209 [0,1,0,0,0,0|3,0,0]=4 6893 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [0,1,0,0,0,0|3,0,0]=4 6894 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [0,1,0,0,0,0|3,0,0]=4 6895 B14R0.394 NCCCCCCCOCCOC(=O)N 34a_100011996573_200011214921 [0,1,0,0,0,0|2,0,0]=3 6896 B14R0.394 NCCCCCCOCCOCC(=O)N 34a_100000686447_100000076697 [0,1,0,0,0,0|3,0,0]=4 6897 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [0,1,0,0,0,0|3,0,0]=4 6898 B14R0.394 NCCCCCOCCCCO[N+](=O)[O-] 34a_100000762737_100015694321 [0,1,0,0,0,0|3,0,0]=4 6899 B14R0.394 NCCCOCCCOCCOC(=O)N 34a_100011310245_200011214921 [0,1,0,0,0,0|3,0,0]=4 6900 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,1,0,0,0,0|3,0,0]=4 6901 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,1,0,0,0,0|3,0,0]=4 6902 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,1,0,0,0,0|3,0,0]=4 6903 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,1,0,0,0,0|3,0,0]=4 6904 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [0,1,0,0,0,0|3,0,0]=4 6905 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [0,1,0,0,0,0|3,0,0]=4 6906 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [0,1,0,0,0,0|3,0,0]=4 6907 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [0,1,0,0,0,0|2,0,0]=3 6908 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [0,1,0,0,0,0|2,0,0]=3 6909 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [0,1,0,0,0,0|2,1,0]=4 6910 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [0,1,0,0,0,0|2,1,0]=4 6911 B14R0.394 O=[N+]([O-])COCCCCCCCCCBr 34a_100009813782_100000761209 [0,1,0,0,0,0|3,0,0]=4 6912 B14R0.394 O=[N+]([O-])COCCCCCCCCCCl 34a_100009868337_100000761209 [0,1,0,0,0,0|3,0,0]=4 6913 B14R0.394 O=[N+]([O-])OCCCCNCCCCCO 34a_100000762737_100015694321 [0,1,0,0,0,0|3,0,0]=4 6914 B14R0.394 O=[N+]([O-])OCCCCOCCCCCBr 34a_100000746331_100015694321 [0,1,0,0,0,0|3,0,0]=4 6915 B14R0.394 O=[N+]([O-])OCCCCOCCCCCBr 7a_100000746331_100015694321 [0,1,0,0,0,0|3,0,0]=4 6916 B14R0.394 O=[N+]([O-])OCCCCOCCCCCCl 34a_100000746330_100015694321 [0,1,0,0,0,0|3,0,0]=4 6917 B14R0.394 O=[N+]([O-])OCCCCOCCCCCCl 7a_100000746330_100015694321 [0,1,0,0,0,0|3,0,0]=4 6918 B14R0.394 O=[N+]([O-])OCCCCOCCCCCI 34a_200012148887_100015694321 [0,1,0,0,0,0|3,0,0]=4 6919 B14R0.394 O=[N+]([O-])OCCCCOCCCCCI 7a_200012148887_100015694321 [0,1,0,0,0,0|3,0,0]=4 6920 B14R0.394 O=[N+]([O-])OCCCCSCCCCCF 62a_100000729378_100015694321 [0,1,0,0,0,0|3,0,0]=4 6921 B14R0.394 O=[N+]([O-])OCCCCSCCCCCO 62a_100000746330_100015694321 [0,1,0,0,0,0|3,0,0]=4 6922 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [0,1,0,0,0,0|2,0,0]=3 6923 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [0,1,0,0,0,0|2,0,0]=3 6924 B14R0.432 C#CCC(C)OCCCCCOC(=O)C 34a_100000685586_100000033007 [0,1,0,0,0,0|1,0,2]=4 6925 B14R0.432 C#CCC(C)OCCCCCOC(=O)C 7a_100000685586_100000033007 [0,1,0,0,0,0|1,0,2]=4 6926 B14R0.432 C/C=C/C(C)OCCCCCOC(=O)C 34a_200102604097_100000033007 [0,1,0,0,0,0|1,0,2]=4 6927 B14R0.432 C=CCC(C)COCCCCOC(=O)C 34a_100009832082_100000033659 [0,1,0,0,0,0|1,0,2]=4 6928 B14R0.432 C=CCC(C)COCCCCOC(=O)C 7a_100009832082_100000033659 [0,1,0,0,0,0|1,0,2]=4 6929 B14R0.432 C=CC[C@@H](C)OCCCCCOC(=O)C 34a_100000731007_100000033007 [0,1,0,0,0,0|1,0,2]=4 6930 B14R0.432 C=CC[C@@H](C)OCCCCCOC(=O)C 7a_100000731007_100000033007 [0,1,0,0,0,0|1,0,2]=4 6931 B14R0.432 C=CC[C@@H](N)COCCCCOC(=O)C 34a_100020615467_100000033659 [0,1,0,0,0,0|1,0,2]=4 6932 B14R0.432 CC#CC(C)OCCCCCOC(=O)C 34a_100011216543_100000033007 [0,1,0,0,0,0|1,0,2]=4 6933 B14R0.432 CC(=O)NCCCCCNC(C)CCO 2230a_200012022750_100009893172 [0,1,0,0,0,0|3,0,0]=4 6934 B14R0.432 CC(=O)NCCCCCNC(C)CCO 34a_200012022750_100009893172 [0,1,0,0,0,0|3,0,0]=4 6935 B14R0.432 CC(=O)OCCCCCN[C@@H](C)CC#N 2230a_100016994482_100009813381 [0,1,0,0,0,0|2,0,1]=4 6936 B14R0.432 CC(=O)OCCCCCN[C@H](C)CCO 2230a_100000706166_100009813381 [0,1,0,0,0,0|2,0,0]=3 6937 B14R0.432 CC(=O)OCCCCCN[C@H](C)CCO 34a_100000706166_100000033007 [0,1,0,0,0,0|2,0,0]=3 6938 B14R0.432 CC(=O)OCCCCCOC(C)CCBr 34a_100012276601_100000033007 [0,1,0,0,0,0|2,0,0]=3 6939 B14R0.432 CC(=O)OCCCCCSC(C)CC#N 62a_100000033007_100009813641 [0,1,0,0,0,0|2,0,1]=4 6940 B14R0.432 CC(=O)OCCCCCSC(C)CC#N 62a_100009813641_100000033007 [0,1,0,0,0,0|2,0,1]=4 6941 B14R0.432 CC(=O)OCCCCCSC(C)CCO 62a_100000033007_100009893172 [0,1,0,0,0,0|2,0,0]=3 6942 B14R0.432 CC(=O)OCCCCCSC(C)CCO 62a_100009893172_100000033007 [0,1,0,0,0,0|2,0,0]=3 6943 B14R0.432 CC(=O)OCCCCOCC(C)CCN 34a_106354213184_100000033659 [0,1,0,0,0,0|2,0,0]=3 6944 B14R0.432 CC(=O)OCCCCOC[C@@H](O)CC#N 7a_100000073216_100000001066 [0,1,0,0,0,0|2,0,1]=4 6945 B14R0.432 CC(=O)OCCCCSC[C@@H](O)CC#N 62a_100000001066_100000033659 [0,1,0,0,0,0|2,0,1]=4 6946 B14R0.432 CC(=O)OCCCCSC[C@@H](O)CC#N 62a_100000033659_100000001066 [0,1,0,0,0,0|2,0,1]=4 6947 B14R0.432 CC(=O)OCCOCCN[C@H](C)CCO 2230a_100000706166_200000083610 [0,1,0,0,0,0|3,0,0]=4 6948 B14R0.432 CC(=O)OCCOCCN[C@H](C)CCO 34a_100000706166_200000083610 [0,1,0,0,0,0|3,0,0]=4 6949 B14R0.432 CC(=O)OCCOCCOC(C)CCBr 34a_100012276601_200000083610 [0,1,0,0,0,0|3,0,0]=4 6950 B14R0.432 CC(=O)OCCOCCSC(C)CCO 62a_100009893172_200000083610 [0,1,0,0,0,0|3,0,0]=4 6951 B14R0.432 CC(=O)OCCOCCSC(C)CCO 62a_200000083610_100009893172 [0,1,0,0,0,0|3,0,0]=4 6952 B14R0.432 CC(=O)OCCOCOCC(C)CCN 34a_106354213184_100000076355 [0,1,0,0,0,0|3,0,0]=4 6953 B14R0.432 CC(=O)SCCCCOCC(C)CCN 34a_106354213184_200010402107 [0,1,0,0,0,0|2,1,0]=4 6954 B14R0.432 CCCC(=O)CNCCCCNC(=O)C 2230a_200011368371_100000747444 [0,1,0,0,0,0|2,0,1]=4 6955 B14R0.432 CCCC(=O)COCCCCOC(=O)C 7a_100000073216_100000747444 [0,1,0,0,0,0|1,0,1]=3 6956 B14R0.432 CCCC(=O)CSCCCCOC(=O)C 62a_100000033659_100000747444 [0,1,0,0,0,0|1,0,1]=3 6957 B14R0.432 CCCC(=O)CSCCCCOC(=O)C 62a_100000747444_100000033659 [0,1,0,0,0,0|1,0,1]=3 6958 B14R0.432 CCCC(=O)CSCCCCSC(=O)C 62a_100000747444_200010402107 [0,1,0,0,0,0|1,1,1]=4 6959 B14R0.432 CCCC(=O)CSCCCCSC(=O)C 62a_200010402107_100000747444 [0,1,0,0,0,0|1,1,1]=4 6960 B14R0.432 CCCC(=O)CSCOCCOC(=O)C 62a_100000076355_100000747444 [0,1,0,0,0,0|2,0,1]=4 6961 B14R0.432 CCCC(=O)CSCOCCOC(=O)C 62a_100000747444_100000076355 [0,1,0,0,0,0|2,0,1]=4 6962 B14R0.432 CCCC(=O)NCCCCCNC(=O)C 1626a_200012022750_100000211992 [0,1,0,0,0,0|2,0,1]=4 6963 B14R0.432 CCCC(=O)NCCCCCNC(=O)C 240690a_200012022750_100000211992 [0,1,0,0,0,0|2,0,1]=4 6964 B14R0.432 CCCC(=O)NCCCCCNC(=O)C 527a_200012022750_100000211992 [0,1,0,0,0,0|2,0,1]=4 6965 B14R0.432 CCCC(=O)OCSCCCOC(=O)C 62a_100000042594_100000034017 [0,1,0,0,0,0|2,0,1]=4 6966 B14R0.432 CCCC(C)CCCOCCC=C(C)C 34a_100011713154_100011217483 [0,1,0,0,0,0|3,0,0]=4 6967 B14R0.432 CCCC(C)CCCOCCC=C(C)C 7a_100011713154_100011217483 [0,1,0,0,0,0|3,0,0]=4 6968 B14R0.432 CCCC(C)CCCOCCCC(=O)C 34a_100011713154_100000685027 [0,1,0,0,0,0|2,0,0]=3 6969 B14R0.432 CCCC(C)CCCOCCCC(=O)C 7a_100011713154_100011215641 [0,1,0,0,0,0|2,0,0]=3 6970 B14R0.432 CCCC(C)CCCOCCCC(=O)N 34a_100011713154_100102525003 [0,1,0,0,0,0|3,0,0]=4 6971 B14R0.432 CCCC(C)CCCOCCCC(=O)N 7a_100011713154_100102525003 [0,1,0,0,0,0|3,0,0]=4 6972 B14R0.432 CCCC(C)CCCOCCNC(=O)C 7a_100011713154_100000189650 [0,1,0,0,0,0|2,0,0]=3 6973 B14R0.432 CCCC(C)CCCOCCNC(=O)N 7a_100011713154_200000034859 [0,1,0,0,0,0|3,0,0]=4 6974 B14R0.432 CCCC(C)CCCOCCOC(=O)C 34a_100011713154_100009814007 [0,1,0,0,0,0|1,0,0]=2 6975 B14R0.432 CCCC(C)CCCOCCOC(=O)C 7a_100011713154_100009814007 [0,1,0,0,0,0|1,0,0]=2 6976 B14R0.432 CCCC(C)CCCOCCOC(=O)N 34a_100011713154_200011214921 [0,1,0,0,0,0|2,0,0]=3 6977 B14R0.432 CCCC(C)CCCOCCOC(=O)N 7a_100011713154_200011214921 [0,1,0,0,0,0|2,0,0]=3 6978 B14R0.432 CCCC(C)CCCOCCOC(C)C 34a_100011713154_100000211751 [0,1,0,0,0,0|2,0,1]=4 6979 B14R0.432 CCCC(C)CCCOCCOC(C)C 7a_100011713154_100000211751 [0,1,0,0,0,0|2,0,1]=4 6980 B14R0.432 CCCC(C)CCOCCCCC(=O)C 34a_100011217855_100009817362 [0,1,0,0,0,0|2,0,0]=3 6981 B14R0.432 CCCC(C)CCOCCCCC(=O)C 7a_100011217855_100000735457 [0,1,0,0,0,0|2,0,0]=3 6982 B14R0.432 CCCC(C)CCOCCCOC(=O)C 34a_100011217855_100000042594 [0,1,0,0,0,0|1,0,0]=2 6983 B14R0.432 CCCC(C)CCOCCCOC(=O)C 7a_100011217855_100000042594 [0,1,0,0,0,0|1,0,0]=2 6984 B14R0.432 CCCC(C)CCOCCCOC(=S)C 34a_100011217855_200135323944 [0,1,0,0,0,0|1,1,0]=3 6985 B14R0.432 CCCC(C)CCOCCCOC(=S)C 7a_100011217855_200135323944 [0,1,0,0,0,0|1,1,0]=3 6986 B14R0.432 CCCC(C)CCOCCCSC(=O)C 34a_100011217855_100000038929 [0,1,0,0,0,0|1,1,0]=3 6987 B14R0.432 CCCC(C)CCOCCCSC(=O)C 7a_100011217855_100000038929 [0,1,0,0,0,0|1,1,0]=3 6988 B14R0.432 CCCC(C)CNCCCCNC(=O)C 2230a_200011368371_100011216630 [0,1,0,0,0,0|2,0,0]=3 6989 B14R0.432 CCCC(C)CNCCCCNC(=O)C 270004a_200011368371_100000243154 [0,1,0,0,0,0|2,0,0]=3 6990 B14R0.432 CCCC(C)CNCCCCNC(=O)C 34a_200011368371_100011216630 [0,1,0,0,0,0|2,0,0]=3 6991 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000123541_100011216630 [0,1,0,0,0,0|3,0,0]=4 6992 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000688023_100009817443 [0,1,0,0,0,0|3,0,0]=4 6993 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000123541_100011216630 [0,1,0,0,0,0|3,0,0]=4 6994 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000688023_100009817443 [0,1,0,0,0,0|3,0,0]=4 6995 B14R0.432 CCCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100011216630 [0,1,0,0,0,0|3,0,0]=4 6996 B14R0.432 CCCC(C)COCCCCOC(=O)C 34a_100000073216_100011216630 [0,1,0,0,0,0|1,0,0]=2 6997 B14R0.432 CCCC(C)COCCCCOC(=O)C 34a_100000688023_100000033659 [0,1,0,0,0,0|1,0,0]=2 6998 B14R0.432 CCCC(C)COCCCCOC(=O)C 7a_100000073216_100011216630 [0,1,0,0,0,0|1,0,0]=2 6999 B14R0.432 CCCC(C)COCCCCOC(=O)C 7a_100000688023_100000033659 [0,1,0,0,0,0|1,0,0]=2 7000 B14R0.432 CCCC(C)COCCCCO[N+](=O)[O-] 34a_100000688023_100015694321 [0,1,0,0,0,0|3,0,0]=4 7001 B14R0.432 CCCC(C)COCCCCO[N+](=O)[O-] 7a_100000688023_100015694321 [0,1,0,0,0,0|3,0,0]=4 7002 B14R0.432 CCCC(C)COCCCCSC(=O)C 34a_100000688023_200010402107 [0,1,0,0,0,0|1,1,0]=3 7003 B14R0.432 CCCC(C)COCCCCSC(=O)C 7a_100000688023_200010402107 [0,1,0,0,0,0|1,1,0]=3 7004 B14R0.432 CCCC(C)COCOCCOC(=O)C 34a_100000688023_100000076355 [0,1,0,0,0,0|2,0,0]=3 7005 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100009817443_100011216630 [0,1,0,0,0,0|3,0,0]=4 7006 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100011216630_100009817443 [0,1,0,0,0,0|3,0,0]=4 7007 B14R0.432 CCCC(C)CSCCCCOC(=O)C 62a_100000033659_100011216630 [0,1,0,0,0,0|1,0,0]=2 7008 B14R0.432 CCCC(C)CSCCCCOC(=O)C 62a_100011216630_100000033659 [0,1,0,0,0,0|1,0,0]=2 7009 B14R0.432 CCCC(C)CSCCCCO[N+](=O)[O-] 62a_100011216630_100015694321 [0,1,0,0,0,0|3,0,0]=4 7010 B14R0.432 CCCC(C)CSCCCCSC(=O)C 62a_100011216630_200010402107 [0,1,0,0,0,0|1,1,0]=3 7011 B14R0.432 CCCC(C)CSCCCCSC(=O)C 62a_200010402107_100011216630 [0,1,0,0,0,0|1,1,0]=3 7012 B14R0.432 CCCC(C)CSCOCCOC(=O)C 62a_100000076355_100011216630 [0,1,0,0,0,0|2,0,0]=3 7013 B14R0.432 CCCC(C)CSCOCCOC(=O)C 62a_100011216630_100000076355 [0,1,0,0,0,0|2,0,0]=3 7014 B14R0.432 CCCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000766640 [0,1,0,0,0,0|2,0,0]=3 7015 B14R0.432 CCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000211909 [0,1,0,0,0,0|2,0,0]=3 7016 B14R0.432 CCCC(C)NCCCCCNC(=O)C 34a_200012022750_100000766640 [0,1,0,0,0,0|2,0,0]=3 7017 B14R0.432 CCCC(C)NCCCCCOC(=O)C 2230a_100000741246_100009813381 [0,1,0,0,0,0|1,0,0]=2 7018 B14R0.432 CCCC(C)NCCOCCOC(=O)C 2230a_100000741246_200000083610 [0,1,0,0,0,0|2,0,0]=3 7019 B14R0.432 CCCC(C)OCCCCCOC(=O)C 34a_100000764384_100000033007 [0,1,0,0,0,0|1,0,0]=2 7020 B14R0.432 CCCC(C)OCCCCCOC(=O)C 7a_100000764384_100000033007 [0,1,0,0,0,0|1,0,0]=2 7021 B14R0.432 CCCC(C)OCCOCCOC(=O)C 34a_100000764384_200000083610 [0,1,0,0,0,0|2,0,0]=3 7022 B14R0.432 CCCC(C)OCCOCCOC(=O)C 7a_100000764384_200000083610 [0,1,0,0,0,0|2,0,0]=3 7023 B14R0.432 CCCC(C)SCCCCCOC(=O)C 62a_100000033007_100000766640 [0,1,0,0,0,0|1,0,0]=2 7024 B14R0.432 CCCC(C)SCCCCCOC(=O)C 62a_100000766640_100000033007 [0,1,0,0,0,0|1,0,0]=2 7025 B14R0.432 CCCC(C)SCCOCCOC(=O)C 62a_100000766640_200000083610 [0,1,0,0,0,0|2,0,0]=3 7026 B14R0.432 CCCC(C)SCCOCCOC(=O)C 62a_200000083610_100000766640 [0,1,0,0,0,0|2,0,0]=3 7027 B14R0.432 CCC[C@H](N)CCOCCCCC(=O)C 34a_100015193777_100009817362 [0,1,0,0,0,0|2,0,0]=3 7028 B14R0.432 CCC[C@H](N)CCOCCCOC(=O)C 34a_100015193777_100000042594 [0,1,0,0,0,0|1,0,0]=2 7029 B14R0.432 CCC[C@H](N)CCOCCCOC(=S)C 34a_100015193777_200135323944 [0,1,0,0,0,0|1,1,0]=3 7030 B14R0.432 CCC[C@H](N)CCOCCCSC(=O)C 34a_100015193777_100000038929 [0,1,0,0,0,0|1,1,0]=3 7031 B14R0.432 CCC[C@H](N)COCCCCCC(=O)N 34a_100000732646_100009817443 [0,1,0,0,0,0|3,0,0]=4 7032 B14R0.432 CCC[C@H](N)COCCCCOC(=O)C 34a_100000732646_100000033659 [0,1,0,0,0,0|1,0,0]=2 7033 B14R0.432 CCC[C@H](N)COCCCCO[N+](=O)[O-] 34a_100000732646_100015694321 [0,1,0,0,0,0|3,0,0]=4 7034 B14R0.432 CCC[C@H](N)COCCCCSC(=O)C 34a_100000732646_200010402107 [0,1,0,0,0,0|1,1,0]=3 7035 B14R0.432 CCC[C@H](N)COCOCCOC(=O)C 34a_100000732646_100000076355 [0,1,0,0,0,0|2,0,0]=3 7036 B14R0.432 CCNC(=O)CCNCCCOC(=O)C 34a_100025743525_100000042594 [0,1,0,0,0,0|2,0,1]=4 7037 B14R0.432 CCNC(=O)CCSCCCOC(=O)C 62a_100000042594_100000737597 [0,1,0,0,0,0|2,0,1]=4 7038 B14R0.432 CCNC(=O)CCSCCCOC(=O)C 62a_100000737597_100000042594 [0,1,0,0,0,0|2,0,1]=4 7039 B14R0.432 CCNC(=O)COCCCCOC(=O)C 34a_100000073216_100000183381 [0,1,0,0,0,0|2,0,1]=4 7040 B14R0.432 CCNC(=O)COCCCCOC(=O)C 7a_100000073216_100000183381 [0,1,0,0,0,0|2,0,1]=4 7041 B14R0.432 CCNC(=O)CSCCCCOC(=O)C 62a_100000033659_100000183381 [0,1,0,0,0,0|2,0,1]=4 7042 B14R0.432 CCNC(=O)CSCCCCOC(=O)C 62a_100000183381_100000033659 [0,1,0,0,0,0|2,0,1]=4 7043 B14R0.432 CCOC(=O)CCCCCCCC(=O)C 1458a_100000070787_100009991516 [0,1,0,0,0,0|2,0,1]=4 7044 B14R0.432 CCOC(=O)CCCCCCNC(=O)C 188690a_100000741137_100015343762 [0,1,0,0,0,0|2,0,1]=4 7045 B14R0.432 CCOC(=O)CCCCSCOC(=O)C 62a_100000076356_100000750268 [0,1,0,0,0,0|2,0,1]=4 7046 B14R0.432 CCOC(=O)CCCCSCOC(=O)C 62a_100000750268_100000076356 [0,1,0,0,0,0|2,0,1]=4 7047 B14R0.432 CCOC(=O)CCCOCCOC(=O)C 7a_100012001163_100009814007 [0,1,0,0,0,0|2,0,1]=4 7048 B14R0.432 CCOC(=O)CCCSCCOC(=O)C 62a_100009814007_100009991533 [0,1,0,0,0,0|2,0,1]=4 7049 B14R0.432 CCOC(=O)CCCSCCOC(=O)C 62a_100009991533_100009814007 [0,1,0,0,0,0|2,0,1]=4 7050 B14R0.432 CCOC(=O)CCSCCCOC(=O)C 62a_100000042594_100000765890 [0,1,0,0,0,0|2,0,1]=4 7051 B14R0.432 CCOC(=O)CCSCCCOC(=O)C 62a_100000765890_100000042594 [0,1,0,0,0,0|2,0,1]=4 7052 B14R0.432 CCOC(=O)COCCCCOC(=O)C 34a_100000073216_100000188475 [0,1,0,0,0,0|2,0,1]=4 7053 B14R0.432 CCOC(=O)COCCCCOC(=O)C 7a_100000073216_100000188475 [0,1,0,0,0,0|2,0,1]=4 7054 B14R0.432 CCOC(=O)CSCCCCOC(=O)C 62a_100000033659_100000188475 [0,1,0,0,0,0|2,0,1]=4 7055 B14R0.432 CCOC(=O)CSCCCCOC(=O)C 62a_100000188475_100000033659 [0,1,0,0,0,0|2,0,1]=4 7056 B14R0.432 COCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000765312 [0,1,0,0,0,0|3,0,0]=4 7057 B14R0.432 COCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000749346 [0,1,0,0,0,0|3,0,0]=4 7058 B14R0.432 COCC(C)NCCCCCNC(=O)C 34a_200012022750_100000765312 [0,1,0,0,0,0|3,0,0]=4 7059 B14R0.432 COCC(C)SCCCCCOC(=O)C 62a_100000033007_100000765312 [0,1,0,0,0,0|2,0,0]=3 7060 B14R0.432 COCC(C)SCCCCCOC(=O)C 62a_100000765312_100000033007 [0,1,0,0,0,0|2,0,0]=3 7061 B14R0.432 COCC(C)SCCOCCOC(=O)C 62a_100000765312_200000083610 [0,1,0,0,0,0|3,0,0]=4 7062 B14R0.432 COCC(C)SCCOCCOC(=O)C 62a_200000083610_100000765312 [0,1,0,0,0,0|3,0,0]=4 7063 B14R0.432 COCC(N)COCCCCOC(=O)C 34a_100000724102_100000033659 [0,1,0,0,0,0|2,0,0]=3 7064 B14R0.432 COCC(N)COCCCCSC(=O)C 34a_100000724102_200010402107 [0,1,0,0,0,0|2,1,0]=4 7065 B14R0.432 COCC(N)COCOCCOC(=O)C 34a_100000724102_100000076355 [0,1,0,0,0,0|3,0,0]=4 7066 B14R0.432 COCC(O)CNCCCCNC(=O)C 34a_200011368371_100011215053 [0,1,0,0,0,0|3,0,0]=4 7067 B14R0.432 COCC(O)CNCCCCOC(=O)C 34a_100000756049_100000033659 [0,1,0,0,0,0|2,0,0]=3 7068 B14R0.432 COCC(O)CNCCCCSC(=O)C 2230a_100000756049_200010402107 [0,1,0,0,0,0|2,1,0]=4 7069 B14R0.432 COCC(O)CNCCCCSC(=O)C 34a_100000756049_200010402107 [0,1,0,0,0,0|2,1,0]=4 7070 B14R0.432 COCC(O)CNCOCCOC(=O)C 34a_100000756049_100000076355 [0,1,0,0,0,0|3,0,0]=4 7071 B14R0.432 COCC(O)COCCCCOC(=O)C 34a_100000073216_100011215053 [0,1,0,0,0,0|2,0,0]=3 7072 B14R0.432 COCC(O)COCCCCOC(=O)C 7a_100000073216_100011215053 [0,1,0,0,0,0|2,0,0]=3 7073 B14R0.432 COCC(O)CSCCCCOC(=O)C 62a_100000033659_100011215053 [0,1,0,0,0,0|2,0,0]=3 7074 B14R0.432 COCC(O)CSCCCCOC(=O)C 62a_100011215053_100000033659 [0,1,0,0,0,0|2,0,0]=3 7075 B14R0.432 COCC(O)CSCCCCSC(=O)C 62a_100011215053_200010402107 [0,1,0,0,0,0|2,1,0]=4 7076 B14R0.432 COCC(O)CSCCCCSC(=O)C 62a_200010402107_100011215053 [0,1,0,0,0,0|2,1,0]=4 7077 B14R0.432 COCC(O)CSCOCCOC(=O)C 62a_100000076355_100011215053 [0,1,0,0,0,0|3,0,0]=4 7078 B14R0.432 COCC(O)CSCOCCOC(=O)C 62a_100011215053_100000076355 [0,1,0,0,0,0|3,0,0]=4 7079 B14R0.432 COC[C@@H](C)NCCCCCOC(=O)C 2230a_100000764878_100009813381 [0,1,0,0,0,0|2,0,0]=3 7080 B14R0.432 COC[C@@H](C)NCCOCCOC(=O)C 2230a_100000764878_200000083610 [0,1,0,0,0,0|3,0,0]=4 7081 B14R0.432 COC[C@@H](C)OCCCCCOC(=O)C 34a_100011934205_100000033007 [0,1,0,0,0,0|2,0,0]=3 7082 B14R0.432 COC[C@@H](C)OCCOCCOC(=O)C 34a_100011934205_200000083610 [0,1,0,0,0,0|3,0,0]=4 7083 B14R0.432 CSCC(C)NCCCCCNC(=O)C 270004a_200012022750_100011216314 [0,1,0,0,0,0|3,0,0]=4 7084 B14R0.2224 C#CCCCCC(=O)CCCOC(=O)C 1458a_100000696528_100000042594 [0,1,0,0,0,0|0,0,3]=4 7085 B14R0.2224 C=C(C)COCCC(C)CCCCCC 34a_200011024964_100000748629 [0,1,0,0,0,0|3,0,0]=4 7086 B14R0.2224 C=C(C)COCCC(C)CCCCCC 7a_200011024964_100000748629 [0,1,0,0,0,0|3,0,0]=4 7087 B14R0.2224 C=CCCCCC(=O)CCCOC(=O)C 1458a_100011215552_100000042594 [0,1,0,0,0,0|0,0,3]=4 7088 B14R0.2224 C=CCCCCN(C)CCCOC(=O)C 269982a_100012000471_100000042594 [0,1,0,0,0,0|1,0,2]=4 7089 B14R0.2224 CC(=O)CCCCC(=O)CCCCCO 1458a_100102619762_100000735457 [0,1,0,0,0,0|2,0,1]=4 7090 B14R0.2224 CC(=O)CCCCN(C)CCCCCO 269982a_100000722520_100000735457 [0,1,0,0,0,0|3,0,0]=4 7091 B14R0.2224 CC(=O)NCCCC(=O)CCCCCF 1458a_100000194741_100000729378 [0,1,0,0,0,0|2,0,1]=4 7092 B14R0.2224 CC(=O)NCCCC(=O)CCCCCO 1458a_100000194741_100000746330 [0,1,0,0,0,0|2,0,1]=4 7093 B14R0.2224 CC(=O)OCCCC(=O)CCCCCO 1458a_100102619762_100000042594 [0,1,0,0,0,0|1,0,1]=3 7094 B14R0.2224 CC(=O)OCCCC(=O)CCOCCO 1458a_100011229844_100000042594 [0,1,0,0,0,0|2,0,1]=4 7095 B14R0.2224 CC(=O)OCCCN(C)CCCCCO 269982a_100000722520_100000042594 [0,1,0,0,0,0|2,0,0]=3 7096 B14R0.2224 CC(=O)OCCCN(C)CCOCCO 269982a_100000228057_100000042594 [0,1,0,0,0,0|3,0,0]=4 7097 B14R0.2224 CC(=O)OCCNC(=O)CCCCCO 240690a_100000724843_100102619762 [0,1,0,0,0,0|2,0,1]=4 7098 B14R0.2224 CC(=O)SCCCC(=O)CCCCCO 1458a_100102619762_100000038929 [0,1,0,0,0,0|1,1,1]=4 7099 B14R0.2224 CC(=O)SCCCN(C)CCCCCO 2230a_100000722520_100000038929 [0,1,0,0,0,0|2,1,0]=4 7100 B14R0.2224 CC(=O)SCCCN(C)CCCCCO 269982a_100000722520_100000038929 [0,1,0,0,0,0|2,1,0]=4 7101 B14R0.2224 CC(=S)OCCCC(=O)CCCCCO 1458a_100102619762_200135323944 [0,1,0,0,0,0|1,1,1]=4 7102 B14R0.2224 CC(=S)OCCCN(C)CCCCCO 2230a_100000722520_200135323944 [0,1,0,0,0,0|2,1,0]=4 7103 B14R0.2224 CC(=S)OCCCN(C)CCCCCO 269982a_100000722520_200135323944 [0,1,0,0,0,0|2,1,0]=4 7104 B14R0.2224 CCC/C=C/CC(=O)CCCOC(=O)C 1458a_200016266809_100000042594 [0,1,0,0,0,0|0,0,3]=4 7105 B14R0.2224 CCCCC=CC(=O)CCCOC(=O)C 1458a_100016266645_100000042594 [0,1,0,0,0,0|0,0,3]=4 7106 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [0,1,0,0,0,0|1,0,1]=3 7107 B14R0.2224 CCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210757 [0,1,0,0,0,0|1,0,1]=3 7108 B14R0.2224 CCCCCCC(=O)CCCOC(=O)C 1458a_100102632555_100000042594 [0,1,0,0,0,0|0,0,1]=2 7109 B14R0.2224 CCCCCCC(=O)CCCOC(=S)C 1458a_100102632555_200135323944 [0,1,0,0,0,0|0,1,1]=3 7110 B14R0.2224 CCCCCCC(=O)CCCSC(=O)C 1458a_100102632555_100000038929 [0,1,0,0,0,0|0,1,1]=3 7111 B14R0.2224 CCCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100102632555 [0,1,0,0,0,0|2,0,1]=4 7112 B14R0.2224 CCCCCCC(=O)NCCNC(=O)C 527a_100000209853_100102632555 [0,1,0,0,0,0|2,0,1]=4 7113 B14R0.2224 CCCCCCC(=O)NCCOC(=O)C 11a_100000724843_100102632555 [0,1,0,0,0,0|1,0,1]=3 7114 B14R0.2224 CCCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100102632555 [0,1,0,0,0,0|1,0,1]=3 7115 B14R0.2224 CCCCCCC(=O)NCCOC(=O)C 527a_100000724843_100102632555 [0,1,0,0,0,0|1,0,1]=3 7116 B14R0.2224 CCCCCCC(=O)NCCSC(=O)C 11a_100020647217_100102632555 [0,1,0,0,0,0|1,1,1]=4 7117 B14R0.2224 CCCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100102632555 [0,1,0,0,0,0|1,1,1]=4 7118 B14R0.2224 CCCCCCC(=O)NCCSC(=O)C 527a_100020647217_100102632555 [0,1,0,0,0,0|1,1,1]=4 7119 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 34a_200011024964_100000187820 [0,1,0,0,0,0|3,0,0]=4 7120 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 7a_200011024964_100000187820 [0,1,0,0,0,0|3,0,0]=4 7121 B14R0.2224 CCCCCCC(C)CCOCC(=O)[O-] 34a_200011024964_100020667443 [0,1,0,0,0,0|3,0,0]=4 7122 B14R0.2224 CCCCCCC(C)NCCC=C(C)C 2230a_100000210919_100011217483 [0,1,0,0,0,0|3,0,0]=4 7123 B14R0.2224 CCCCCCC(C)NCCC=C(C)C 34a_100000210919_100011217483 [0,1,0,0,0,0|3,0,0]=4 7124 B14R0.2224 CCCCCCC(C)NCCCC(=O)C 34a_100000210919_100000685027 [0,1,0,0,0,0|2,0,0]=3 7125 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000210919_100102525003 [0,1,0,0,0,0|3,0,0]=4 7126 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000739312_100011215978 [0,1,0,0,0,0|3,0,0]=4 7127 B14R0.2224 CCCCCCC(C)NCCCS(=O)C 2230a_200000753449_100011215978 [0,1,0,0,0,0|3,0,0]=4 7128 B14R0.2224 CCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210826 [0,1,0,0,0,0|3,0,0]=4 7129 B14R0.2224 CCCCCCC(C)NCCNC(=O)C 2230a_100000209853_100011215978 [0,1,0,0,0,0|2,0,0]=3 7130 B14R0.2224 CCCCCCC(C)NCCNC(=O)C 2230a_100000210919_100000189650 [0,1,0,0,0,0|2,0,0]=3 7131 B14R0.2224 CCCCCCC(C)NCCNC(=O)N 2230a_100000210919_200000034859 [0,1,0,0,0,0|3,0,0]=4 7132 B14R0.2224 CCCCCCC(C)NCCNC(=O)N 34a_100020590234_100011215978 [0,1,0,0,0,0|3,0,0]=4 7133 B14R0.2224 CCCCCCC(C)NCCOC(=O)C 34a_100000210919_100009814007 [0,1,0,0,0,0|1,0,0]=2 7134 B14R0.2224 CCCCCCC(C)NCCOC(=O)N 34a_100000210919_200011214921 [0,1,0,0,0,0|2,0,0]=3 7135 B14R0.2224 CCCCCCC(C)NCCOC(C)C 2230a_100000210919_100000211751 [0,1,0,0,0,0|2,0,1]=4 7136 B14R0.2224 CCCCCCC(C)NCCOC(C)C 2230a_100000701111_100011215978 [0,1,0,0,0,0|2,0,1]=4 7137 B14R0.2224 CCCCCCC(C)NCCOC(C)C 270004a_100000701111_100000210826 [0,1,0,0,0,0|2,0,1]=4 7138 B14R0.2224 CCCCCCC(C)NCCOC(C)C 34a_100000210919_100000211751 [0,1,0,0,0,0|2,0,1]=4 7139 B14R0.2224 CCCCCCC(C)NCCOC(C)C 34a_100000701111_100011215978 [0,1,0,0,0,0|2,0,1]=4 7140 B14R0.2224 CCCCCCC(C)OCCC=C(C)C 34a_100000210265_100011217483 [0,1,0,0,0,0|3,0,0]=4 7141 B14R0.2224 CCCCCCC(C)OCCC=C(C)C 7a_100000210265_100011217483 [0,1,0,0,0,0|3,0,0]=4 7142 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000210265_100000685027 [0,1,0,0,0,0|2,0,0]=3 7143 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000759063_100011215978 [0,1,0,0,0,0|2,0,0]=3 7144 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000210265_100011215641 [0,1,0,0,0,0|2,0,0]=3 7145 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000759063_100011215978 [0,1,0,0,0,0|2,0,0]=3 7146 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 34a_100000210265_100102525003 [0,1,0,0,0,0|3,0,0]=4 7147 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 7a_100000210265_100102525003 [0,1,0,0,0,0|3,0,0]=4 7148 B14R0.2224 CCCCCCC(C)OCCNC(=O)C 34a_100000158858_100011215978 [0,1,0,0,0,0|2,0,0]=3 7149 B14R0.2224 CCCCCCC(C)OCCNC(=O)C 7a_100000210265_100000189650 [0,1,0,0,0,0|2,0,0]=3 7150 B14R0.2224 CCCCCCC(C)OCCNC(=O)N 34a_100000181757_100011215978 [0,1,0,0,0,0|3,0,0]=4 7151 B14R0.2224 CCCCCCC(C)OCCNC(=O)N 7a_100000210265_200000034859 [0,1,0,0,0,0|3,0,0]=4 7152 B14R0.2224 CCCCCCC(C)OCCOC(=O)C 34a_100000210265_100009814007 [0,1,0,0,0,0|1,0,0]=2 7153 B14R0.2224 CCCCCCC(C)OCCOC(=O)C 7a_100000210265_100009814007 [0,1,0,0,0,0|1,0,0]=2 7154 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 34a_100000210265_200011214921 [0,1,0,0,0,0|2,0,0]=3 7155 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 7a_100000210265_200011214921 [0,1,0,0,0,0|2,0,0]=3 7156 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 7a_100000766696_100011215978 [0,1,0,0,0,0|2,0,0]=3 7157 B14R0.2224 CCCCCCC(C)OCCOC(C)C 34a_100000210265_100000211751 [0,1,0,0,0,0|2,0,1]=4 7158 B14R0.2224 CCCCCCC(C)OCCOC(C)C 34a_100000211219_100011215978 [0,1,0,0,0,0|2,0,1]=4 7159 B14R0.2224 CCCCCCC(C)OCCOC(C)C 7a_100000210265_100000211751 [0,1,0,0,0,0|2,0,1]=4 7160 B14R0.2224 CCCCCCC(C)OCCOC(C)C 7a_100000211219_100011215978 [0,1,0,0,0,0|2,0,1]=4 7161 B14R0.2224 CCCCCCC(C)SCCC=C(C)C 62a_100011215978_100011217483 [0,1,0,0,0,0|3,0,0]=4 7162 B14R0.2224 CCCCCCC(C)SCCC=C(C)C 62a_100011217483_100011215978 [0,1,0,0,0,0|3,0,0]=4 7163 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215641_100011215978 [0,1,0,0,0,0|2,0,0]=3 7164 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215978_100011215641 [0,1,0,0,0,0|2,0,0]=3 7165 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100011215978_100102525003 [0,1,0,0,0,0|3,0,0]=4 7166 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100102525003_100011215978 [0,1,0,0,0,0|3,0,0]=4 7167 B14R0.2224 CCCCCCC(C)SCCNC(=O)C 62a_100000189650_100011215978 [0,1,0,0,0,0|2,0,0]=3 7168 B14R0.2224 CCCCCCC(C)SCCNC(=O)C 62a_100011215978_100000189650 [0,1,0,0,0,0|2,0,0]=3 7169 B14R0.2224 CCCCCCC(C)SCCNC(=O)N 62a_100011215978_200000034859 [0,1,0,0,0,0|3,0,0]=4 7170 B14R0.2224 CCCCCCC(C)SCCNC(=O)N 62a_200000034859_100011215978 [0,1,0,0,0,0|3,0,0]=4 7171 B14R0.2224 CCCCCCC(C)SCCOC(=O)C 62a_100009814007_100011215978 [0,1,0,0,0,0|1,0,0]=2 7172 B14R0.2224 CCCCCCC(C)SCCOC(=O)C 62a_100011215978_100009814007 [0,1,0,0,0,0|1,0,0]=2 7173 B14R0.2224 CCCCCCC(C)SCCOC(=O)N 62a_100011215978_200011214921 [0,1,0,0,0,0|2,0,0]=3 7174 B14R0.2224 CCCCCCC(C)SCCOC(=O)N 62a_200011214921_100011215978 [0,1,0,0,0,0|2,0,0]=3 7175 B14R0.2224 CCCCCCC(C)SCCOC(C)C 62a_100000211751_100011215978 [0,1,0,0,0,0|2,0,1]=4 7176 B14R0.2224 CCCCCCC(C)SCCOC(C)C 62a_100011215978_100000211751 [0,1,0,0,0,0|2,0,1]=4 7177 B14R0.2224 CCCCCCN(C)CCCCC(=O)C 269982a_106256046315_100000735457 [0,1,0,0,0,0|2,0,0]=3 7178 B14R0.2224 CCCCCCN(C)CCCOC(=O)C 269982a_106256046315_100000042594 [0,1,0,0,0,0|1,0,0]=2 7179 B14R0.2224 CCCCCCN(C)CCCOC(=S)C 2230a_106256046315_200135323944 [0,1,0,0,0,0|1,1,0]=3 7180 B14R0.2224 CCCCCCN(C)CCCOC(=S)C 269982a_106256046315_200135323944 [0,1,0,0,0,0|1,1,0]=3 7181 B14R0.2224 CCCCCCN(C)CCCSC(=O)C 2230a_106256046315_100000038929 [0,1,0,0,0,0|1,1,0]=3 7182 B14R0.2224 CCCCCCN(C)CCCSC(=O)C 269982a_106256046315_100000038929 [0,1,0,0,0,0|1,1,0]=3 7183 B14R0.2224 CCCCCNC(=O)CCCNC(=O)C 11a_100000209983_100000194741 [0,1,0,0,0,0|2,0,1]=4 7184 B14R0.2224 CCCCCNC(=O)CCCNC(=O)C 1626a_100000209983_100000194741 [0,1,0,0,0,0|2,0,1]=4 7185 B14R0.2224 CCCCCNC(=O)CCCNC(=O)C 240690a_100000209983_100000194741 [0,1,0,0,0,0|2,0,1]=4 7186 B14R0.2224 CCCCCNC(=O)CCCNC(=O)C 527a_100000209983_100000194741 [0,1,0,0,0,0|2,0,1]=4 7187 B14R0.2224 CCCCCNC(=O)CSCOC(=O)C 62a_100000076356_100000230301 [0,1,0,0,0,0|2,0,1]=4 7188 B14R0.2224 CCCCCNC(=O)CSCOC(=O)C 62a_100000230301_100000076356 [0,1,0,0,0,0|2,0,1]=4 7189 B14R0.2224 CCCCCNC(=O)NCCOC(=O)C 2708a_100000209983_100000724843 [0,1,0,0,0,0|2,0,1]=4 7190 B14R0.2224 CCCCCNC(=O)NCCOC(=O)C 273464a_100000209983_100000724843 [0,1,0,0,0,0|2,0,1]=4 7191 B14R0.2224 CCCCCNC(=O)NCCOC(=O)C 273464a_100000724843_100000209983 [0,1,0,0,0,0|2,0,1]=4 7192 B14R0.2224 CCCCCNC(=O)NCCOC(=O)C 512a_100000209983_100000724843 [0,1,0,0,0,0|2,0,1]=4 7193 B14R0.2224 CCCCCNC(=O)NCCOC(=O)C 512a_100000724843_100000209983 [0,1,0,0,0,0|2,0,1]=4 7194 B14R0.2224 CCCCNN=C(C)CCCOC(=O)C 4a_100025702795_100000031019 [0,1,0,0,0,0|2,0,1]=4 7195 B14R0.2224 CCCCOCC(=O)CCCCC(=O)C 1458a_100000757543_100000735457 [0,1,0,0,0,0|2,0,1]=4 7196 B14R0.2224 CCCCOCC(=O)CCCNC(=O)C 1458a_100000194741_100011995733 [0,1,0,0,0,0|2,0,1]=4 7197 B14R0.2224 CCCCOCC(=O)CCCOC(=O)C 1458a_100000757543_100000042594 [0,1,0,0,0,0|1,0,1]=3 7198 B14R0.2224 CCCCOCC(=O)CCCOC(=S)C 1458a_100000757543_200135323944 [0,1,0,0,0,0|1,1,1]=4 7199 B14R0.2224 CCCCOCC(=O)CCCSC(=O)C 1458a_100000757543_100000038929 [0,1,0,0,0,0|1,1,1]=4 7200 B14R0.2224 CCCCOCC(=O)NCCOC(=O)C 11a_100000724843_100000757543 [0,1,0,0,0,0|2,0,1]=4 7201 B14R0.2224 CCCCOCC(=O)NCCOC(=O)C 240690a_100000724843_100000757543 [0,1,0,0,0,0|2,0,1]=4 7202 B14R0.2224 CCCCOCC(=O)NCCOC(=O)C 527a_100000724843_100000757543 [0,1,0,0,0,0|2,0,1]=4 7203 B14R0.2224 CCCCOCC(C)OCCCC(=O)C 34a_100011217071_100000685027 [0,1,0,0,0,0|3,0,0]=4 7204 B14R0.2224 CCCCOCC(C)OCCCC(=O)C 7a_100011217071_100011215641 [0,1,0,0,0,0|3,0,0]=4 7205 B14R0.2224 CCCCOCC(C)OCCNC(=O)C 7a_100011217071_100000189650 [0,1,0,0,0,0|3,0,0]=4 7206 B14R0.2224 CCCCOCC(C)OCCOC(=O)C 34a_100011217071_100009814007 [0,1,0,0,0,0|2,0,0]=3 7207 B14R0.2224 CCCCOCC(C)OCCOC(=O)C 7a_100011217071_100009814007 [0,1,0,0,0,0|2,0,0]=3 7208 B14R0.2224 CCCCOCC(C)OCCOC(=O)N 34a_100011217071_200011214921 [0,1,0,0,0,0|3,0,0]=4 7209 B14R0.2224 CCCCOCC(C)OCCOC(=O)N 7a_100011217071_200011214921 [0,1,0,0,0,0|3,0,0]=4 7210 B14R0.2224 CCCCSCC(=O)CCCCC(=O)C 1458a_100000191162_100000735457 [0,1,0,0,0,0|2,0,1]=4 7211 B14R0.2224 CCCCSCC(=O)CCCOC(=O)C 1458a_100000191162_100000042594 [0,1,0,0,0,0|1,0,1]=3 7212 B14R0.2224 CCCCSCC(=O)CCCOC(=S)C 1458a_100000191162_200135323944 [0,1,0,0,0,0|1,1,1]=4 7213 B14R0.2224 CCCCSCC(=O)CCCSC(=O)C 1458a_100000191162_100000038929 [0,1,0,0,0,0|1,1,1]=4 7214 B14R0.2224 CCCCSCC(=O)NCCOC(=O)C 11a_100000724843_100000191162 [0,1,0,0,0,0|2,0,1]=4 7215 B14R0.2224 CCCCSCC(=O)NCCOC(=O)C 240690a_100000724843_100000191162 [0,1,0,0,0,0|2,0,1]=4 7216 B14R0.2224 CCCCSCC(=O)NCCOC(=O)C 527a_100000724843_100000191162 [0,1,0,0,0,0|2,0,1]=4 7217 B14R0.2224 CCCOCCC(=O)CCCNC(=O)C 1458a_100000194741_100011215938 [0,1,0,0,0,0|2,0,1]=4 7218 B14R0.2224 CCOCCCC(=O)CCCNC(=O)C 1458a_100000194741_100012232248 [0,1,0,0,0,0|2,0,1]=4 7219 B14R0.2224 COCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000755781 [0,1,0,0,0,0|2,0,1]=4 7220 B14R0.2224 COCCOCC(=O)CCCOC(=O)C 1458a_100000211095_100000042594 [0,1,0,0,0,0|2,0,1]=4 7221 B14R1.26 C#CCCCCCN1CCOC(=O)C1 2230a_100000131268_100012094781 [0,0,0,1,0,0|1,0,2]=4 7222 B14R1.26 C=CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000700193 [0,0,0,1,0,0|1,0,2]=4 7223 B14R1.26 CCCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210681 [0,0,0,1,0,0|3,0,0]=4 7224 B14R1.26 CCCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210681 [0,0,0,1,0,0|3,0,0]=4 7225 B14R1.26 CCCCCCCN1CCC=C(C1)C 34a_100000725631_100000210614 [0,0,0,1,0,0|3,0,0]=4 7226 B14R1.26 CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210681 [0,0,0,1,0,0|2,0,0]=3 7227 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,0,0,1,0,0|1,0,0]=2 7228 B14R1.26 CCCCCCCN1CCOC(C1)C 2230a_100000729577_100000210681 [0,0,0,1,0,0|2,0,1]=4 7229 B14R1.26 CCCCCCCN1CCOC(C1)C 269982a_100000729577_100000210681 [0,0,0,1,0,0|2,0,1]=4 7230 B14R1.26 CCCCCCCN1CCOC(C1)C 34a_100000729577_100000210614 [0,0,0,1,0,0|2,0,1]=4 7231 B14R1.26 CCCCCCCN1CCOC(C1)O 2230a_100000688207_100000210681 [0,0,0,1,0,0|1,0,2]=4 7232 B14R1.26 CCCCCCCN1CCOC(C1)O 269982a_100000688207_100000210681 [0,0,0,1,0,0|1,0,2]=4 7233 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,0,0,1,0,0|2,0,0]=3 7234 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,0,0,1,0,0|2,0,0]=3 7235 B14R1.26 CCCCCCNC1CCOC(C1)C 270004a_100000210581_100000755752 [0,0,0,1,0,0|2,0,1]=4 7236 B14R1.26 CCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210314 [0,0,0,1,0,0|3,0,0]=4 7237 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,0,0,1,0,0|2,0,0]=3 7238 B14R1.26 CCCCCCOC1CCOC(C1)C 34a_100011986385_100000210314 [0,0,0,1,0,0|2,0,1]=4 7239 B14R1.26 CCCCCCOC1CCOC(C1)C 7a_100011986385_100000210314 [0,0,0,1,0,0|2,0,1]=4 7240 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,0,0,1,0,0|2,0,0]=3 7241 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,0,0,1,0,0|3,0,0]=4 7242 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,0,0,1,0,0|2,0,0]=3 7243 B14R1.26 CCCCOCCN1CCNC(=O)C1 2230a_100000184651_100000743108 [0,0,0,1,0,0|3,0,0]=4 7244 B14R1.26 CCCCOCCN1CCOC(=O)C1 2230a_100000131268_100000743108 [0,0,0,1,0,0|2,0,0]=3 7245 B14R1.26 CCCCOCNC1CCNC(=O)C1 2230a_100016994916_100011995733 [0,0,0,1,0,0|3,0,0]=4 7246 B14R1.26 CCCCOCNC1CCNC(=O)C1 34a_100016994916_100011995733 [0,0,0,1,0,0|3,0,0]=4 7247 B14R1.26 CCCCOCOC1CCCC(=O)C1 34a_100012613340_100011995733 [0,0,0,1,0,0|3,0,0]=4 7248 B14R1.26 CCCCOCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011995733 [0,0,0,1,0,0|3,0,0]=4 7249 B14R1.26 CCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210303 [0,0,0,1,0,0|3,0,0]=4 7250 B14R1.26 CCCOCCNC1CCNC(=O)C1 2230a_100016994916_100011215938 [0,0,0,1,0,0|3,0,0]=4 7251 B14R1.26 CCCOCCNC1CCNC(=O)C1 34a_100016994916_100011215938 [0,0,0,1,0,0|3,0,0]=4 7252 B14R1.26 CCCOCCOC1CCCC(=O)C1 34a_100012613340_100011215938 [0,0,0,1,0,0|3,0,0]=4 7253 B14R1.26 CCCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011215938 [0,0,0,1,0,0|3,0,0]=4 7254 B14R1.26 CCOCCCNC1CCNC(=O)C1 2230a_100016994916_100012232248 [0,0,0,1,0,0|3,0,0]=4 7255 B14R1.26 CCOCCCNC1CCNC(=O)C1 34a_100016994916_100012232248 [0,0,0,1,0,0|3,0,0]=4 7256 B14R1.26 CCOCCCOC1CCCC(=O)C1 34a_100012613340_100012232248 [0,0,0,1,0,0|3,0,0]=4 7257 B14R1.26 CCOCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100012232248 [0,0,0,1,0,0|3,0,0]=4 7258 B14R1.26 CCOCCOCC1CCNC(=O)C1 34a_100009886756_100000210147 [0,0,0,1,0,0|3,0,0]=4 7259 B14R1.26 CCSCCOCC1CCNC(=O)C1 34a_100009886756_100000757381 [0,0,0,1,0,0|3,0,0]=4 7260 B14R1.26 COCCCCNC1CCNC(=O)C1 2230a_100016994916_100000730899 [0,0,0,1,0,0|3,0,0]=4 7261 B14R1.26 COCCCCNC1CCNC(=O)C1 34a_100016994916_100000755781 [0,0,0,1,0,0|3,0,0]=4 7262 B14R1.26 COCCCCOC1CCCC(=O)C1 34a_100012613340_100000755781 [0,0,0,1,0,0|3,0,0]=4 7263 B14R1.26 COCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000755781 [0,0,0,1,0,0|3,0,0]=4 7264 B14R1.26 COCCCOCC1CCNC(=O)C1 34a_100009886756_100000740836 [0,0,0,1,0,0|3,0,0]=4 7265 B14R1.26 COCCOCCN1CCOC(=O)C1 2230a_100000131268_100000695917 [0,0,0,1,0,0|3,0,0]=4 7266 B14R1.26 N#CCCCCCN1CCOC(=O)C1 2230a_100000131268_100009813376 [0,0,0,1,0,0|2,0,1]=4 7267 B14R1.26 O=C1CC(CCN1)COCCCCF 34a_100009886756_100000729493 [0,0,0,1,0,0|3,0,0]=4 7268 B14R1.26 O=C1CC(CCN1)COCCCCO 34a_100009886756_100011216708 [0,0,0,1,0,0|3,0,0]=4 7269 B14R1.26 O=C1CC(CCN1)NCCCCCF 2230a_100016994916_100000729378 [0,0,0,1,0,0|3,0,0]=4 7270 B14R1.26 O=C1CC(CCN1)NCCCCCF 34a_100016994916_100000729378 [0,0,0,1,0,0|3,0,0]=4 7271 B14R1.26 O=C1CC(CCN1)NCCCCCO 2230a_100016994916_100000746330 [0,0,0,1,0,0|3,0,0]=4 7272 B14R1.26 O=C1CC(CCN1)NCCCCCO 34a_100016994916_100000746330 [0,0,0,1,0,0|3,0,0]=4 7273 B14R1.26 O=C1CCCC(C1)OCCCCCF 34a_100012613340_100000729378 [0,0,0,1,0,0|3,0,0]=4 7274 B14R1.26 O=C1CCCC(C1)OCCCCCO 34a_100012613340_100000746330 [0,0,0,1,0,0|3,0,0]=4 7275 B14R1.26 O=C1CN(CCN1)CCCCCCF 2230a_100000184651_100015922095 [0,0,0,1,0,0|3,0,0]=4 7276 B14R1.26 O=C1CN(CCN1)CCCCCCO 2230a_100000184651_100000766143 [0,0,0,1,0,0|3,0,0]=4 7277 B14R1.26 O=C1CN(CCO1)CCCCCCF 2230a_100000131268_100015922095 [0,0,0,1,0,0|2,0,0]=3 7278 B14R1.26 O=C1CN(CCO1)CCCCCCO 2230a_100000131268_100000766143 [0,0,0,1,0,0|2,0,0]=3 7279 B14R1.26 O=C1C[C@@H](CCN1)OCCCCCF 34a_100015189427_100000729378 [0,0,0,1,0,0|3,0,0]=4 7280 B14R1.26 O=C1C[C@@H](CCN1)OCCCCCO 34a_100015189427_100000746330 [0,0,0,1,0,0|3,0,0]=4 7281 B14R1.26 O=CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000139337 [0,0,0,1,0,0|2,0,1]=4 7282 B14R1.96 C#CC1CCCCN1CCOC(=O)C 269982a_200020621307_100009814007 [0,0,0,1,0,0|1,0,2]=4 7283 B14R1.96 C#CC1CCCCN1CCOC(=O)C 34a_200020621307_100009814007 [0,0,0,1,0,0|1,0,2]=4 7284 B14R1.96 C=C(C)CCOC1CCCCC1CC 34a_100000210738_100000730704 [0,0,0,1,0,0|3,0,0]=4 7285 B14R1.96 C=C(C)CCOC1CCCCC1CC 7a_100000210738_100000730704 [0,0,0,1,0,0|3,0,0]=4 7286 B14R1.96 CC(=O)CCCN1CCCCC1CO 269982a_100000210821_100011215641 [0,0,0,1,0,0|3,0,0]=4 7287 B14R1.96 CC(=O)CCCN1CCCCC1CO 34a_100000210821_100000685027 [0,0,0,1,0,0|3,0,0]=4 7288 B14R1.96 CC(=O)NCCC1CCCCN1CF 269982a_200011221479_100015361967 [0,0,0,1,0,0|3,0,0]=4 7289 B14R1.96 CC(=O)NCCC1CCCCN1CF 34a_200011221479_100015361967 [0,0,0,1,0,0|3,0,0]=4 7290 B14R1.96 CC(=O)NCCN1CCCCC1CO 2230a_100000210821_100000189650 [0,0,0,1,0,0|3,0,0]=4 7291 B14R1.96 CC(=O)NCCN1CCCCC1CO 240690a_100011473795_100015343762 [0,0,0,1,0,0|3,0,0]=4 7292 B14R1.96 CC(=O)NCCN1CCCCC1CO 269982a_100000210821_100000189650 [0,0,0,1,0,0|3,0,0]=4 7293 B14R1.96 CC(=O)OCCN1CCCCC1C#N 34a_100016989756_100009814007 [0,0,0,1,0,0|2,0,1]=4 7294 B14R1.96 CC(=O)OCCN1CCCCC1CO 269982a_100000210821_100009814007 [0,0,0,1,0,0|2,0,0]=3 7295 B14R1.96 CC(=O)OCCN1CCCCC1CO 34a_100000210821_100009814007 [0,0,0,1,0,0|2,0,0]=3 7296 B14R1.96 CC(=O)OCCN1CCOC[C@H]1CO 269982a_100000717676_100009814007 [0,0,0,1,0,0|3,0,0]=4 7297 B14R1.96 CC(=O)OCCN1CCOC[C@H]1CO 34a_100000717676_100009814007 [0,0,0,1,0,0|3,0,0]=4 7298 B14R1.96 CC(=O)OCNC1CCOCC1CO 34a_214813039666_100009813279 [0,0,0,1,0,0|3,0,0]=4 7299 B14R1.96 CC(=O)OCOC1CCCCC1CN 34a_100011216029_100009813279 [0,0,0,1,0,0|2,0,0]=3 7300 B14R1.96 CCC1CCCCC1NCC=C(C)C 270004a_100000718196_100000757040 [0,0,0,1,0,0|3,0,0]=4 7301 B14R1.96 CCC1CCCCC1NCCC(=O)N 269862a_100000740010_100000757040 [0,0,0,1,0,0|3,0,0]=4 7302 B14R1.96 CCC1CCCCC1OCC=C(C)C 34a_100000210738_100000761012 [0,0,0,1,0,0|3,0,0]=4 7303 B14R1.96 CCC1CCCCC1OCC=C(C)C 7a_100000210738_100000761012 [0,0,0,1,0,0|3,0,0]=4 7304 B14R1.96 CCC1CCCCC1OCCC(=O)C 7a_100000210738_100000053229 [0,0,0,1,0,0|2,0,0]=3 7305 B14R1.96 CCC1CCCCC1OCCC(=O)N 34a_100000210738_100000731001 [0,0,0,1,0,0|3,0,0]=4 7306 B14R1.96 CCC1CCCCC1OCCC(=O)N 7a_100000210738_100000744528 [0,0,0,1,0,0|3,0,0]=4 7307 B14R1.96 CCC1CCCCC1OCOC(=O)C 34a_100000210738_100009813279 [0,0,0,1,0,0|1,0,0]=2 7308 B14R1.96 CCC1CCCCC1OCOC(C)C 34a_100000210738_100000709892 [0,0,0,1,0,0|2,0,1]=4 7309 B14R1.96 CCC1CCCCN1CCC=C(C)C 2230a_100000210034_100011217483 [0,0,0,1,0,0|3,0,0]=4 7310 B14R1.96 CCC1CCCCN1CCC=C(C)C 269982a_100000210034_100011217483 [0,0,0,1,0,0|3,0,0]=4 7311 B14R1.96 CCC1CCCCN1CCC=C(C)C 34a_100000210034_100011217483 [0,0,0,1,0,0|3,0,0]=4 7312 B14R1.96 CCC1CCCCN1CCCC(=O)C 269982a_100000210034_100011215641 [0,0,0,1,0,0|2,0,0]=3 7313 B14R1.96 CCC1CCCCN1CCCC(=O)C 34a_100000210034_100000685027 [0,0,0,1,0,0|2,0,0]=3 7314 B14R1.96 CCC1CCCCN1CCCC(=O)N 269982a_100000210034_100102525003 [0,0,0,1,0,0|3,0,0]=4 7315 B14R1.96 CCC1CCCCN1CCCC(=O)N 34a_100000210034_100102525003 [0,0,0,1,0,0|3,0,0]=4 7316 B14R1.96 CCC1CCCCN1CCNC(=O)C 11a_100000755458_100015343762 [0,0,0,1,0,0|2,0,0]=3 7317 B14R1.96 CCC1CCCCN1CCNC(=O)C 1626a_100000755458_100015343762 [0,0,0,1,0,0|2,0,0]=3 7318 B14R1.96 CCC1CCCCN1CCNC(=O)C 2230a_100000210034_100000189650 [0,0,0,1,0,0|2,0,0]=3 7319 B14R1.96 CCC1CCCCN1CCNC(=O)C 240690a_100000755458_100015343762 [0,0,0,1,0,0|2,0,0]=3 7320 B14R1.96 CCC1CCCCN1CCNC(=O)C 269982a_100000210034_100000189650 [0,0,0,1,0,0|2,0,0]=3 7321 B14R1.96 CCC1CCCCN1CCNC(=O)C 527a_100000755458_100103153847 [0,0,0,1,0,0|2,0,0]=3 7322 B14R1.96 CCC1CCCCN1CCNC(=O)N 2230a_100000210034_200000034859 [0,0,0,1,0,0|3,0,0]=4 7323 B14R1.96 CCC1CCCCN1CCNC(=O)N 269982a_100000210034_200000034859 [0,0,0,1,0,0|3,0,0]=4 7324 B14R1.96 CCC1CCCCN1CCOC(=O)C 269982a_100000210034_100009814007 [0,0,0,1,0,0|1,0,0]=2 7325 B14R1.96 CCC1CCCCN1CCOC(=O)C 34a_100000210034_100009814007 [0,0,0,1,0,0|1,0,0]=2 7326 B14R1.96 CCC1CCCCN1CCOC(=O)N 269982a_100000210034_200011214921 [0,0,0,1,0,0|2,0,0]=3 7327 B14R1.96 CCC1CCCCN1CCOC(=O)N 34a_100000210034_200011214921 [0,0,0,1,0,0|2,0,0]=3 7328 B14R1.96 CCC1CCCCN1CCOC(C)C 2230a_100000210034_100000211751 [0,0,0,1,0,0|2,0,1]=4 7329 B14R1.96 CCC1CCCCN1CCOC(C)C 269982a_100000210034_100000211751 [0,0,0,1,0,0|2,0,1]=4 7330 B14R1.96 CCC1CCCCN1CCOC(C)C 34a_100000210034_100000211751 [0,0,0,1,0,0|2,0,1]=4 7331 B14R1.96 CCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210202 [0,0,0,1,0,0|2,0,0]=3 7332 B14R1.96 CCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000204670 [0,0,0,1,0,0|2,0,0]=3 7333 B14R1.96 CCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210202 [0,0,0,1,0,0|2,0,0]=3 7334 B14R1.96 CC[C@H]1COCCN1CCCC(=O)C 269982a_100016988097_100011215641 [0,0,0,1,0,0|3,0,0]=4 7335 B14R1.96 CC[C@H]1COCCN1CCCC(=O)C 34a_100016988097_100000685027 [0,0,0,1,0,0|3,0,0]=4 7336 B14R1.96 CC[C@H]1COCCN1CCNC(=O)C 2230a_100016988097_100000189650 [0,0,0,1,0,0|3,0,0]=4 7337 B14R1.96 CC[C@H]1COCCN1CCNC(=O)C 269982a_100016988097_100000189650 [0,0,0,1,0,0|3,0,0]=4 7338 B14R1.96 CC[C@H]1COCCN1CCOC(=O)C 269982a_100016988097_100009814007 [0,0,0,1,0,0|2,0,0]=3 7339 B14R1.96 CC[C@H]1COCCN1CCOC(=O)C 34a_100016988097_100009814007 [0,0,0,1,0,0|2,0,0]=3 7340 B14R1.96 CC[C@H]1COCCN1CCOC(=O)N 269982a_100016988097_200011214921 [0,0,0,1,0,0|3,0,0]=4 7341 B14R1.96 CC[C@H]1COCCN1CCOC(=O)N 34a_100016988097_200011214921 [0,0,0,1,0,0|3,0,0]=4 7342 B14R1.96 CN[C@@H]1CCCC[C@H]1OCOC(=O)C 34a_100000708425_100009813279 [0,0,0,1,0,0|2,0,0]=3 7343 B14R1.96 COC1CCCCC1NCOC(=O)C 34a_100011208099_100009813279 [0,0,0,1,0,0|2,0,0]=3 7344 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)C 7a_200009815850_100000053229 [0,0,0,1,0,0|3,0,0]=4 7345 B14R1.96 CO[C@H]1CCCC[C@@H]1OCOC(=O)C 34a_200009815850_100009813279 [0,0,0,1,0,0|2,0,0]=3 7346 B14R1.96 NC(=O)OCCN1CCCCC1CO 269982a_100000210821_200011214921 [0,0,0,1,0,0|3,0,0]=4 7347 B14R1.96 NC(=O)OCCN1CCCCC1CO 34a_100000210821_200011214921 [0,0,0,1,0,0|3,0,0]=4 7348 B14R1.108 CC(=O)CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000735457 [0,0,0,1,0,0|3,0,0]=4 7349 B14R1.108 CC(=O)CCCCN1CCC[C@@H]1CO 34a_100000745186_100009817362 [0,0,0,1,0,0|3,0,0]=4 7350 B14R1.108 CC(=O)OCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000042594 [0,0,0,1,0,0|2,0,1]=4 7351 B14R1.108 CC(=O)OCCCN1CCC[C@@H]1CO 269982a_100000745186_100000042594 [0,0,0,1,0,0|2,0,0]=3 7352 B14R1.108 CC(=O)OCCCN1CCC[C@@H]1CO 34a_100000745186_100000042594 [0,0,0,1,0,0|2,0,0]=3 7353 B14R1.108 CC(=O)OCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100009814007 [0,0,0,1,0,0|2,0,1]=4 7354 B14R1.108 CC(=O)OCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100009814007 [0,0,0,1,0,0|2,0,1]=4 7355 B14R1.108 CC(=O)SCCCN1CCC[C@@H]1CO 2230a_100000745186_100000038929 [0,0,0,1,0,0|2,1,0]=4 7356 B14R1.108 CC(=O)SCCCN1CCC[C@@H]1CO 269982a_100000745186_100000038929 [0,0,0,1,0,0|2,1,0]=4 7357 B14R1.108 CC(=O)SCCCN1CCC[C@@H]1CO 34a_100000745186_100000038929 [0,0,0,1,0,0|2,1,0]=4 7358 B14R1.108 CC(=S)OCCCN1CCC[C@@H]1CO 2230a_100000745186_200135323944 [0,0,0,1,0,0|2,1,0]=4 7359 B14R1.108 CC(=S)OCCCN1CCC[C@@H]1CO 269982a_100000745186_200135323944 [0,0,0,1,0,0|2,1,0]=4 7360 B14R1.108 CC(=S)OCCCN1CCC[C@@H]1CO 34a_100000745186_200135323944 [0,0,0,1,0,0|2,1,0]=4 7361 B14R1.108 CCC1C=CCN1CCCOC(=O)C 269982a_100000730860_100000042594 [0,0,0,1,0,0|1,0,2]=4 7362 B14R1.108 CCC1C=CCN1CCCOC(=O)C 34a_100000730860_100000042594 [0,0,0,1,0,0|1,0,2]=4 7363 B14R1.108 CCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000749056 [0,0,0,1,0,0|3,0,0]=4 7364 B14R1.108 CCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000749056 [0,0,0,1,0,0|3,0,0]=4 7365 B14R1.108 CCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000749056 [0,0,0,1,0,0|2,0,0]=3 7366 B14R1.108 CCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000749056 [0,0,0,1,0,0|3,0,0]=4 7367 B14R1.108 CCC1CCCC1NCCOC(C)C 269862a_100000701111_100000749056 [0,0,0,1,0,0|2,0,1]=4 7368 B14R1.108 CCC1CCCC1NCCOC(C)C 270004a_100000701111_100000749056 [0,0,0,1,0,0|2,0,1]=4 7369 B14R1.108 CCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000749056 [0,0,0,1,0,0|1,1,0]=3 7370 B14R1.108 CCC1CCCN1CCCCC(=O)C 269982a_100000754278_100000735457 [0,0,0,1,0,0|2,0,0]=3 7371 B14R1.108 CCC1CCCN1CCCCC(=O)C 34a_100000754278_100009817362 [0,0,0,1,0,0|2,0,0]=3 7372 B14R1.108 CCC1CCCN1CCCOC(=O)C 269982a_100000754278_100000042594 [0,0,0,1,0,0|1,0,0]=2 7373 B14R1.108 CCC1CCCN1CCCOC(=O)C 34a_100000754278_100000042594 [0,0,0,1,0,0|1,0,0]=2 7374 B14R1.108 CCC1CCCN1CCCOC(=S)C 2230a_100000754278_200135323944 [0,0,0,1,0,0|1,1,0]=3 7375 B14R1.108 CCC1CCCN1CCCOC(=S)C 269982a_100000754278_200135323944 [0,0,0,1,0,0|1,1,0]=3 7376 B14R1.108 CCC1CCCN1CCCOC(=S)C 34a_100000754278_200135323944 [0,0,0,1,0,0|1,1,0]=3 7377 B14R1.108 CCC1CCCN1CCCSC(=O)C 2230a_100000754278_100000038929 [0,0,0,1,0,0|1,1,0]=3 7378 B14R1.108 CCC1CCCN1CCCSC(=O)C 269982a_100000754278_100000038929 [0,0,0,1,0,0|1,1,0]=3 7379 B14R1.108 CCC1CCCN1CCCSC(=O)C 34a_100000754278_100000038929 [0,0,0,1,0,0|1,1,0]=3 7380 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)C 7a_100011739246_100000053229 [0,0,0,1,0,0|3,0,0]=4 7381 B14R1.108 CCN1CCC[C@@H]1COCOC(=O)C 34a_100011739246_100009813279 [0,0,0,1,0,0|2,0,0]=3 7382 B14R1.122 CCCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210759 [0,0,0,1,0,0|2,0,0]=3 7383 B14R1.122 CCCCCCCCc1noc(n1)C 270196a_100011215235_100000070787 [0,0,0,1,0,0|2,0,1]=4 7384 B14R1.122 CCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210681 [0,0,0,1,0,0|2,0,0]=3 7385 B14R1.122 CCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210614 [0,0,0,1,0,0|2,0,0]=3 7386 B14R1.122 CCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210614 [0,0,0,1,0,0|2,0,0]=3 7387 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [0,0,0,1,0,0|2,0,0]=3 7388 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [0,0,0,1,0,0|2,0,0]=3 7389 B14R1.122 CCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210314 [0,0,0,1,0,0|2,0,0]=3 7390 B14R1.122 CCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210314 [0,0,0,1,0,0|2,0,0]=3 7391 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [0,0,0,1,0,0|3,0,0]=4 7392 B14R1.122 CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000210581_100015189358 [0,0,0,1,0,0|3,0,0]=4 7393 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210314 [0,0,0,1,0,0|3,0,0]=4 7394 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210314 [0,0,0,1,0,0|3,0,0]=4 7395 B14R1.122 CCCCCCNC[C@H]1COC(=O)N1 2230a_100000210581_100015307671 [0,0,0,1,0,0|2,0,0]=3 7396 B14R1.122 CCCCCCOCC1=CC(=O)OC1 34a_100000210259_100000716558 [0,0,0,1,0,0|1,0,2]=4 7397 B14R1.122 CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210314 [0,0,0,1,0,0|3,0,0]=4 7398 B14R1.122 CCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210314 [0,0,0,1,0,0|2,0,0]=3 7399 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [0,0,0,1,0,0|3,0,0]=4 7400 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [0,0,0,1,0,0|3,0,0]=4 7401 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [0,0,0,1,0,0|3,0,0]=4 7402 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [0,0,0,1,0,0|2,0,0]=3 7403 B14R1.122 CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210259_100015189358 [0,0,0,1,0,0|3,0,0]=4 7404 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 34a_100000210259_100015307671 [0,0,0,1,0,0|2,0,0]=3 7405 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 7a_100000210259_100015307671 [0,0,0,1,0,0|2,0,0]=3 7406 B14R1.122 CCCCCCSCC1=CC(=O)OC1 62a_100000210314_100000716558 [0,0,0,1,0,0|1,0,2]=4 7407 B14R1.122 CCCCCCSCC1=CC(=O)OC1 62a_100000716558_100000210757 [0,0,0,1,0,0|1,0,2]=4 7408 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [0,0,0,1,0,0|3,0,0]=4 7409 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [0,0,0,1,0,0|3,0,0]=4 7410 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [0,0,0,1,0,0|2,0,0]=3 7411 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [0,0,0,1,0,0|2,0,0]=3 7412 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210314_100015189358 [0,0,0,1,0,0|3,0,0]=4 7413 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210757 [0,0,0,1,0,0|3,0,0]=4 7414 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100000210314_100015307671 [0,0,0,1,0,0|2,0,0]=3 7415 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210757 [0,0,0,1,0,0|2,0,0]=3 7416 B14R1.122 CCCCCOCCC1COS(=O)O1 7a_100000210253_100009840081 [0,0,0,1,0,0|3,0,0]=4 7417 B14R1.122 CCCCCSCCC1COS(=O)O1 62a_100000210326_100009840081 [0,0,0,1,0,0|3,0,0]=4 7418 B14R1.122 CCCCOCCNC1CNC(=O)C1 2230a_100000697751_100000743108 [0,0,0,1,0,0|3,0,0]=4 7419 B14R1.122 CCCCOCCOC1CCC(=O)C1 34a_100012614533_100000743108 [0,0,0,1,0,0|3,0,0]=4 7420 B14R1.122 CCCCOCCOC1CNC(=O)C1 34a_100000690082_100000743108 [0,0,0,1,0,0|3,0,0]=4 7421 B14R1.122 CCCCOCCOC1COC(=O)O1 34a_100000210238_100000032252 [0,0,0,1,0,0|3,0,0]=4 7422 B14R1.122 CCCCOCCSC1COC(=O)O1 62a_100000743108_100000032252 [0,0,0,1,0,0|3,0,0]=4 7423 B14R1.122 CCCCOCNCC1CNC(=O)C1 2230a_100016993742_100011995733 [0,0,0,1,0,0|3,0,0]=4 7424 B14R1.122 CCCCOCNCC1CNC(=O)C1 34a_100016993742_100011995733 [0,0,0,1,0,0|3,0,0]=4 7425 B14R1.122 CCCCOCOCC1CNC(=O)C1 34a_100016041077_100011995733 [0,0,0,1,0,0|3,0,0]=4 7426 B14R1.122 CCCCOCSCC1COC(=O)O1 62a_100000073702_100011995733 [0,0,0,1,0,0|3,0,0]=4 7427 B14R1.122 CCCCOCSCC1COC(=O)O1 62a_100011995733_100000073702 [0,0,0,1,0,0|3,0,0]=4 7428 B14R1.122 CCCCOCSC[C@H]1COC(=O)N1 62a_100011995733_100015307671 [0,0,0,1,0,0|3,0,0]=4 7429 B14R1.122 CCCCOCSC[C@H]1COC(=O)N1 62a_100015307671_100011995733 [0,0,0,1,0,0|3,0,0]=4 7430 B14R1.122 CCCCSCCOC1COC(=O)O1 34a_200000230436_100000032252 [0,0,0,1,0,0|3,0,0]=4 7431 B14R1.122 CCCOCCCNC1COC(=O)O1 34a_100011217757_100000032252 [0,0,0,1,0,0|3,0,0]=4 7432 B14R1.122 CCCOCCNCC1CNC(=O)C1 2230a_100016993742_100011215938 [0,0,0,1,0,0|3,0,0]=4 7433 B14R1.122 CCCOCCNCC1CNC(=O)C1 34a_100016993742_100011215938 [0,0,0,1,0,0|3,0,0]=4 7434 B14R1.122 CCCOCCNCC1COC(=O)O1 34a_100161115042_100000073702 [0,0,0,1,0,0|3,0,0]=4 7435 B14R1.122 CCCOCCNC[C@H]1COC(=O)N1 2230a_100161115042_100015307671 [0,0,0,1,0,0|3,0,0]=4 7436 B14R1.122 CCCOCCNC[C@H]1COC(=O)N1 34a_100161115042_100015307671 [0,0,0,1,0,0|3,0,0]=4 7437 B14R1.122 CCCOCCOCC1CNC(=O)C1 34a_100016041077_100011215938 [0,0,0,1,0,0|3,0,0]=4 7438 B14R1.122 CCCOCCOCC1COC(=O)O1 34a_100000752267_100000073702 [0,0,0,1,0,0|3,0,0]=4 7439 B14R1.122 CCCOCCOC[C@H]1COC(=O)N1 34a_100000752267_100015307671 [0,0,0,1,0,0|3,0,0]=4 7440 B14R1.122 CCCOCCOC[C@H]1COC(=O)N1 7a_100000752267_100015307671 [0,0,0,1,0,0|3,0,0]=4 7441 B14R1.122 CCCOCCSCC1COC(=O)O1 62a_100000073702_100011215938 [0,0,0,1,0,0|3,0,0]=4 7442 B14R1.122 CCCOCCSCC1COC(=O)O1 62a_100011215938_100000073702 [0,0,0,1,0,0|3,0,0]=4 7443 B14R1.122 CCCOCCSC[C@H]1COC(=O)N1 62a_100011215938_100015307671 [0,0,0,1,0,0|3,0,0]=4 7444 B14R1.122 CCCOCCSC[C@H]1COC(=O)N1 62a_100015307671_100011215938 [0,0,0,1,0,0|3,0,0]=4 7445 B14R1.122 CCCSCCNC[C@H]1COC(=O)N1 2230a_100020603323_100015307671 [0,0,0,1,0,0|3,0,0]=4 7446 B14R1.122 CCCSCCOCC1COC(=O)O1 34a_200000230433_100000073702 [0,0,0,1,0,0|3,0,0]=4 7447 B14R1.122 CCCSCCOC[C@H]1COC(=O)N1 34a_200000230433_100015307671 [0,0,0,1,0,0|3,0,0]=4 7448 B14R1.122 CCCSCCOC[C@H]1COC(=O)N1 7a_200000230433_100015307671 [0,0,0,1,0,0|3,0,0]=4 7449 B14R1.122 CCOCCCNCC1CNC(=O)C1 2230a_100016993742_100012232248 [0,0,0,1,0,0|3,0,0]=4 7450 B14R1.122 CCOCCCNCC1CNC(=O)C1 34a_100016993742_100012232248 [0,0,0,1,0,0|3,0,0]=4 7451 B14R1.122 CCOCCCNCC1COC(=O)O1 34a_100000210961_100000073702 [0,0,0,1,0,0|3,0,0]=4 7452 B14R1.122 CCOCCCNC[C@H]1COC(=O)N1 2230a_100000210961_100015307671 [0,0,0,1,0,0|3,0,0]=4 7453 B14R1.122 CCOCCCNC[C@H]1COC(=O)N1 34a_100000210961_100015307671 [0,0,0,1,0,0|3,0,0]=4 7454 B14R1.122 CCOCCCOCC1CNC(=O)C1 34a_100016041077_100012232248 [0,0,0,1,0,0|3,0,0]=4 7455 B14R1.122 CCOCCCOCC1COC(=O)O1 34a_100000757476_100000073702 [0,0,0,1,0,0|3,0,0]=4 7456 B14R1.122 CCOCCCOC[C@H]1COC(=O)N1 34a_100000757476_100015307671 [0,0,0,1,0,0|3,0,0]=4 7457 B14R1.122 CCOCCCOC[C@H]1COC(=O)N1 7a_100000757476_100015307671 [0,0,0,1,0,0|3,0,0]=4 7458 B14R1.122 CCOCCCSCC1COC(=O)O1 62a_100000073702_100012232248 [0,0,0,1,0,0|3,0,0]=4 7459 B14R1.122 CCOCCCSCC1COC(=O)O1 62a_100012232248_100000073702 [0,0,0,1,0,0|3,0,0]=4 7460 B14R1.122 CCOCCCSC[C@H]1COC(=O)N1 62a_100012232248_100015307671 [0,0,0,1,0,0|3,0,0]=4 7461 B14R1.122 CCOCCCSC[C@H]1COC(=O)N1 62a_100015307671_100012232248 [0,0,0,1,0,0|3,0,0]=4 7462 B14R1.122 CCSCCCOCC1COC(=O)O1 34a_100011216438_100000073702 [0,0,0,1,0,0|3,0,0]=4 7463 B14R1.122 CCSCCCOC[C@H]1COC(=O)N1 34a_100011216438_100015307671 [0,0,0,1,0,0|3,0,0]=4 7464 B14R1.122 CCSCCCOC[C@H]1COC(=O)N1 7a_100011216438_100015307671 [0,0,0,1,0,0|3,0,0]=4 7465 B14R1.122 CNCCCCCOC1COC(=O)O1 34a_100000722520_100000032252 [0,0,0,1,0,0|3,0,0]=4 7466 B14R1.122 COCCCCCCN1CNC(=O)C1 2230a_200000708111_100011998445 [0,0,0,1,0,0|3,0,0]=4 7467 B14R1.122 COCCCCCNC1COC(=O)O1 34a_100000747528_100000032252 [0,0,0,1,0,0|3,0,0]=4 7468 B14R1.122 COCCCCNCC1CNC(=O)C1 2230a_100016993742_100000730899 [0,0,0,1,0,0|3,0,0]=4 7469 B14R1.122 COCCCCNCC1CNC(=O)C1 34a_100016993742_100000755781 [0,0,0,1,0,0|3,0,0]=4 7470 B14R1.122 COCCCCOCC1CNC(=O)C1 34a_100016041077_100000755781 [0,0,0,1,0,0|3,0,0]=4 7471 B14R1.122 COCCCCOCC1COC(=O)O1 34a_100000740925_100000073702 [0,0,0,1,0,0|3,0,0]=4 7472 B14R1.122 COCCCCOC[C@H]1COC(=O)N1 34a_100000740925_100015307671 [0,0,0,1,0,0|3,0,0]=4 7473 B14R1.122 COCCCCSCC1COC(=O)O1 62a_100000073702_100000730899 [0,0,0,1,0,0|3,0,0]=4 7474 B14R1.122 COCCCCSCC1COC(=O)O1 62a_100000730899_100000073702 [0,0,0,1,0,0|3,0,0]=4 7475 B14R1.122 COCCCCSC[C@H]1COC(=O)N1 62a_100000730899_100015307671 [0,0,0,1,0,0|3,0,0]=4 7476 B14R1.122 COCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000730899 [0,0,0,1,0,0|3,0,0]=4 7477 B14R1.122 CSCCCCOCC1COC(=O)O1 34a_100011217163_100000073702 [0,0,0,1,0,0|3,0,0]=4 7478 B14R1.122 CSCCCCOC[C@H]1COC(=O)N1 34a_100011217163_100015307671 [0,0,0,1,0,0|3,0,0]=4 7479 B14R1.122 CSCCCCOC[C@H]1COC(=O)N1 7a_100011217163_100015307671 [0,0,0,1,0,0|3,0,0]=4 7480 B14R1.122 NCCCCCCOC1COC(=O)O1 34a_100000686447_100000032252 [0,0,0,1,0,0|3,0,0]=4 7481 B14R1.122 NCCCCCOCC1COC(=O)O1 34a_100000762737_100000073702 [0,0,0,1,0,0|3,0,0]=4 7482 B14R1.122 NCCCCCOC[C@H]1COC(=O)N1 34a_100000762737_100015307671 [0,0,0,1,0,0|3,0,0]=4 7483 B14R1.122 O=C1CC(CN1)CNCCCCCF 2230a_100016993742_100000729378 [0,0,0,1,0,0|3,0,0]=4 7484 B14R1.122 O=C1CC(CN1)CNCCCCCF 34a_100016993742_100000729378 [0,0,0,1,0,0|3,0,0]=4 7485 B14R1.122 O=C1CC(CN1)CNCCCCCO 2230a_100016993742_100000746330 [0,0,0,1,0,0|3,0,0]=4 7486 B14R1.122 O=C1CC(CN1)CNCCCCCO 34a_100016993742_100000746330 [0,0,0,1,0,0|3,0,0]=4 7487 B14R1.122 O=C1CC(CN1)COCCCCCF 34a_100016041077_100000729378 [0,0,0,1,0,0|3,0,0]=4 7488 B14R1.122 O=C1CC(CN1)COCCCCCO 34a_100016041077_100000746330 [0,0,0,1,0,0|3,0,0]=4 7489 B14R1.122 O=C1CC(CN1)NCCCCCCF 2230a_100000697751_100015922095 [0,0,0,1,0,0|3,0,0]=4 7490 B14R1.122 O=C1CC(CN1)NCCCCCCO 2230a_100000697751_100000766143 [0,0,0,1,0,0|3,0,0]=4 7491 B14R1.122 O=C1CC(CN1)OCCCCCCF 34a_100000690082_100015922095 [0,0,0,1,0,0|3,0,0]=4 7492 B14R1.122 O=C1CC(CN1)OCCCCCCO 34a_100000690082_100000766143 [0,0,0,1,0,0|3,0,0]=4 7493 B14R1.122 O=C1CCC(C1)OCCCCCCF 34a_100012614533_100015922095 [0,0,0,1,0,0|3,0,0]=4 7494 B14R1.122 O=C1CCC(C1)OCCCCCCO 34a_100012614533_100000766143 [0,0,0,1,0,0|3,0,0]=4 7495 B14R1.122 O=C1CN(CN1)CCCCCCCO 2230a_200000708111_100000760002 [0,0,0,1,0,0|3,0,0]=4 7496 B14R1.122 O=C1N[C@H](CO1)CNCCCCCO 2230a_100000762737_100015307671 [0,0,0,1,0,0|3,0,0]=4 7497 B14R1.122 O=C1N[C@H](CO1)CNCCCCCO 34a_100000762737_100015307671 [0,0,0,1,0,0|3,0,0]=4 7498 B14R1.122 O=C1N[C@H](CO1)COCCCCCBr 34a_100000746331_100015307671 [0,0,0,1,0,0|3,0,0]=4 7499 B14R1.122 O=C1N[C@H](CO1)COCCCCCBr 7a_100000746331_100015307671 [0,0,0,1,0,0|3,0,0]=4 7500 B14R1.122 O=C1N[C@H](CO1)COCCCCCCl 34a_100000746330_100015307671 [0,0,0,1,0,0|3,0,0]=4 7501 B14R1.122 O=C1N[C@H](CO1)COCCCCCCl 7a_100000746330_100015307671 [0,0,0,1,0,0|3,0,0]=4 7502 B14R1.122 O=C1N[C@H](CO1)COCCCCCI 34a_200012148887_100015307671 [0,0,0,1,0,0|3,0,0]=4 7503 B14R1.122 O=C1N[C@H](CO1)COCCCCCI 7a_200012148887_100015307671 [0,0,0,1,0,0|3,0,0]=4 7504 B14R1.122 O=C1N[C@H](CO1)CSCCCCCF 62a_100000729378_100015307671 [0,0,0,1,0,0|3,0,0]=4 7505 B14R1.122 O=C1N[C@H](CO1)CSCCCCCF 62a_100015307671_100000729378 [0,0,0,1,0,0|3,0,0]=4 7506 B14R1.122 O=C1N[C@H](CO1)CSCCCCCO 62a_100000746330_100015307671 [0,0,0,1,0,0|3,0,0]=4 7507 B14R1.122 O=C1N[C@H](CO1)CSCCCCCO 62a_100015307671_100000746330 [0,0,0,1,0,0|3,0,0]=4 7508 B14R1.122 O=C1OCC(O1)CNCCCCCO 34a_100000762737_100000073702 [0,0,0,1,0,0|3,0,0]=4 7509 B14R1.122 O=C1OCC(O1)COCCCCCBr 34a_100000746331_100000073702 [0,0,0,1,0,0|3,0,0]=4 7510 B14R1.122 O=C1OCC(O1)COCCCCCCl 34a_100000746330_100000073702 [0,0,0,1,0,0|3,0,0]=4 7511 B14R1.122 O=C1OCC(O1)COCCCCCI 34a_200012148887_100000073702 [0,0,0,1,0,0|3,0,0]=4 7512 B14R1.122 O=C1OCC(O1)CSCCCCCF 62a_100000073702_100000729378 [0,0,0,1,0,0|3,0,0]=4 7513 B14R1.122 O=C1OCC(O1)CSCCCCCF 62a_100000729378_100000073702 [0,0,0,1,0,0|3,0,0]=4 7514 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000073702_100000746330 [0,0,0,1,0,0|3,0,0]=4 7515 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000746330_100000073702 [0,0,0,1,0,0|3,0,0]=4 7516 B14R1.122 O=C1OCC(O1)NCCCCCCO 34a_100000686447_100000032252 [0,0,0,1,0,0|3,0,0]=4 7517 B14R1.122 O=C1OCC(O1)OCCCCCCBr 34a_100011215345_100000032252 [0,0,0,1,0,0|3,0,0]=4 7518 B14R1.122 O=C1OCC(O1)OCCCCCCCl 34a_100000766143_100000032252 [0,0,0,1,0,0|3,0,0]=4 7519 B14R1.122 O=C1OCC(O1)OCCCCCCF 34a_100000732779_100000032252 [0,0,0,1,0,0|3,0,0]=4 7520 B14R1.122 O=C1OCC(O1)SCCCCCCF 62a_100015922095_100000032252 [0,0,0,1,0,0|3,0,0]=4 7521 B14R1.122 O=C1OCC(O1)SCCCCCCO 62a_100000766143_100000032252 [0,0,0,1,0,0|3,0,0]=4 7522 B14R1.159 CC(=CCCNC1CCCCC1C)C 2230a_100000211402_100011217483 [0,0,0,1,0,0|3,0,0]=4 7523 B14R1.159 CC(=CCCNC1CCCCC1C)C 34a_100000211402_100011217483 [0,0,0,1,0,0|3,0,0]=4 7524 B14R1.159 CC(=CCCOC1CCCCC1C)C 34a_100000211207_100011217483 [0,0,0,1,0,0|3,0,0]=4 7525 B14R1.159 CC(=CCCOC1CCCCC1C)C 7a_100000211207_100011217483 [0,0,0,1,0,0|3,0,0]=4 7526 B14R1.159 CC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000735457 [0,0,0,1,0,0|2,0,0]=3 7527 B14R1.159 CC(=O)CCCCN1CCCCC1C 34a_100000211376_100009817362 [0,0,0,1,0,0|2,0,0]=3 7528 B14R1.159 CC(=O)CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000735457 [0,0,0,1,0,0|3,0,0]=4 7529 B14R1.159 CC(=O)CCCCN1CCOC[C@@H]1C 34a_100009815349_100009817362 [0,0,0,1,0,0|3,0,0]=4 7530 B14R1.159 CC(=O)CCCNC1CCCCC1C 34a_100000211402_100000685027 [0,0,0,1,0,0|2,0,0]=3 7531 B14R1.159 CC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000685027 [0,0,0,1,0,0|3,0,0]=4 7532 B14R1.159 CC(=O)CCCOC1CCCCC1C 34a_100000211207_100000685027 [0,0,0,1,0,0|2,0,0]=3 7533 B14R1.159 CC(=O)CCCOC1CCCCC1C 7a_100000211207_100011215641 [0,0,0,1,0,0|2,0,0]=3 7534 B14R1.159 CC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100000685027 [0,0,0,1,0,0|3,0,0]=4 7535 B14R1.159 CC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100011215641 [0,0,0,1,0,0|3,0,0]=4 7536 B14R1.159 CC(=O)CCCOC1CCCCC1F 34a_100000759063_100015423560 [0,0,0,1,0,0|3,0,0]=4 7537 B14R1.159 CC(=O)CCCOC1CCCCC1O 34a_100000759063_100000038908 [0,0,0,1,0,0|3,0,0]=4 7538 B14R1.159 CC(=O)CCCOC1CCNCC1C 34a_100011998114_100000685027 [0,0,0,1,0,0|3,0,0]=4 7539 B14R1.159 CC(=O)CCCOC1CNCCC1C 34a_100000696640_100000685027 [0,0,0,1,0,0|3,0,0]=4 7540 B14R1.159 CC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000685027 [0,0,0,1,0,0|3,0,0]=4 7541 B14R1.159 CC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215641 [0,0,0,1,0,0|3,0,0]=4 7542 B14R1.159 CC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000685027 [0,0,0,1,0,0|3,0,0]=4 7543 B14R1.159 CC(=O)CCCSC1CCCCC1F 62a_100011215641_100015423560 [0,0,0,1,0,0|3,0,0]=4 7544 B14R1.159 CC(=O)CCCSC1CCCCC1F 62a_100015423560_100011215641 [0,0,0,1,0,0|3,0,0]=4 7545 B14R1.159 CC(=O)CCCSC1CCCCC1O 62a_100000038908_100011215641 [0,0,0,1,0,0|3,0,0]=4 7546 B14R1.159 CC(=O)CCCSC1CCCCC1O 62a_100011215641_100000038908 [0,0,0,1,0,0|3,0,0]=4 7547 B14R1.159 CC(=O)CCOCC1CCCCN1C 34a_100000759926_100015186950 [0,0,0,1,0,0|3,0,0]=4 7548 B14R1.159 CC(=O)CCOCC1CCCCN1C 7a_100000759926_100015185383 [0,0,0,1,0,0|3,0,0]=4 7549 B14R1.159 CC(=O)CCSCC1CCCCN1C 62a_100000053229_100015185383 [0,0,0,1,0,0|3,0,0]=4 7550 B14R1.159 CC(=O)CCSCC1CCCCN1C 62a_100015185383_100000053229 [0,0,0,1,0,0|3,0,0]=4 7551 B14R1.159 CC(=O)COCCC1CCCCN1C 34a_100000211253_100000211948 [0,0,0,1,0,0|3,0,0]=4 7552 B14R1.159 CC(=O)NCCCN1CCCCC1C 240690a_100000212276_100015343762 [0,0,0,1,0,0|2,0,0]=3 7553 B14R1.159 CC(=O)NCCCN1CCCCC1C 527a_100000212276_100103153847 [0,0,0,1,0,0|2,0,0]=3 7554 B14R1.159 CC(=O)NCCNC1CCCCC1C 2230a_100000211402_100000189650 [0,0,0,1,0,0|2,0,0]=3 7555 B14R1.159 CC(=O)NCCNC1CCCCC1C 269862a_100000209853_100000210921 [0,0,0,1,0,0|2,0,0]=3 7556 B14R1.159 CC(=O)NCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000189650 [0,0,0,1,0,0|3,0,0]=4 7557 B14R1.159 CC(=O)NCCOC1CCCCC1C 7a_100000211207_100000189650 [0,0,0,1,0,0|2,0,0]=3 7558 B14R1.159 CC(=O)NCCOC1CCCCC1Cl 7a_100000038908_100000189650 [0,0,0,1,0,0|3,0,0]=4 7559 B14R1.159 CC(=O)NCCOC1CCCCC1F 34a_100000158858_100015423560 [0,0,0,1,0,0|3,0,0]=4 7560 B14R1.159 CC(=O)NCCOC1CCCCC1O 34a_100000158858_100000038908 [0,0,0,1,0,0|3,0,0]=4 7561 B14R1.159 CC(=O)NCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000189650 [0,0,0,1,0,0|3,0,0]=4 7562 B14R1.159 CC(=O)NCCSC1CCCCC1F 62a_100000189650_100015423560 [0,0,0,1,0,0|3,0,0]=4 7563 B14R1.159 CC(=O)NCCSC1CCCCC1F 62a_100015423560_100000189650 [0,0,0,1,0,0|3,0,0]=4 7564 B14R1.159 CC(=O)NCCSC1CCCCC1O 62a_100000038908_100000189650 [0,0,0,1,0,0|3,0,0]=4 7565 B14R1.159 CC(=O)NCCSC1CCCCC1O 62a_100000189650_100000038908 [0,0,0,1,0,0|3,0,0]=4 7566 B14R1.159 CC(=O)OCCCN1CCCCC1C 269982a_100000211376_100000042594 [0,0,0,1,0,0|1,0,0]=2 7567 B14R1.159 CC(=O)OCCCN1CCCCC1C 34a_100000211376_100000042594 [0,0,0,1,0,0|1,0,0]=2 7568 B14R1.159 CC(=O)OCCCN1CCOC[C@@H]1C 269982a_100009815349_100000042594 [0,0,0,1,0,0|2,0,0]=3 7569 B14R1.159 CC(=O)OCCCN1CCOC[C@@H]1C 34a_100009815349_100000042594 [0,0,0,1,0,0|2,0,0]=3 7570 B14R1.159 CC(=O)OCCNC1CCCCC1C 34a_100000211402_100009814007 [0,0,0,1,0,0|1,0,0]=2 7571 B14R1.159 CC(=O)OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009814007 [0,0,0,1,0,0|2,0,0]=3 7572 B14R1.159 CC(=O)OCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100009814007 [0,0,0,1,0,0|3,0,0]=4 7573 B14R1.159 CC(=O)OCCOC1CCCCC1=O 34a_100011214950_100009814007 [0,0,0,1,0,0|2,0,1]=4 7574 B14R1.159 CC(=O)OCCOC1CCCCC1C 34a_100000211207_100009814007 [0,0,0,1,0,0|1,0,0]=2 7575 B14R1.159 CC(=O)OCCOC1CCCCC1C 7a_100000211207_100009814007 [0,0,0,1,0,0|1,0,0]=2 7576 B14R1.159 CC(=O)OCCOC1CCCCC1Cl 34a_100000038908_100009814007 [0,0,0,1,0,0|2,0,0]=3 7577 B14R1.159 CC(=O)OCCOC1CCCCC1Cl 7a_100000038908_100009814007 [0,0,0,1,0,0|2,0,0]=3 7578 B14R1.159 CC(=O)OCCOC1CCNCC1C 34a_100011998114_100009814007 [0,0,0,1,0,0|2,0,0]=3 7579 B14R1.159 CC(=O)OCCOC1CNCCC1C 34a_100000696640_100009814007 [0,0,0,1,0,0|2,0,0]=3 7580 B14R1.159 CC(=O)OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009814007 [0,0,0,1,0,0|2,0,0]=3 7581 B14R1.159 CC(=O)OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009814007 [0,0,0,1,0,0|2,0,0]=3 7582 B14R1.159 CC(=O)OCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100009814007 [0,0,0,1,0,0|3,0,0]=4 7583 B14R1.159 CC(=O)OCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009814007 [0,0,0,1,0,0|2,0,0]=3 7584 B14R1.159 CC(=O)OCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100009814007 [0,0,0,1,0,0|3,0,0]=4 7585 B14R1.159 CC(=O)OCCO[C@H]1COCC[C@H]1N 34a_100016994285_100009814007 [0,0,0,1,0,0|3,0,0]=4 7586 B14R1.159 CC(=O)OCCSC1CCCCC1=O 62a_100000204591_100009814007 [0,0,0,1,0,0|2,0,1]=4 7587 B14R1.159 CC(=O)OCCSC1CCCCC1=O 62a_100009814007_100000204591 [0,0,0,1,0,0|2,0,1]=4 7588 B14R1.159 CC(=O)OCCSC1CCCCC1F 62a_100009814007_100015423560 [0,0,0,1,0,0|2,0,0]=3 7589 B14R1.159 CC(=O)OCCSC1CCCCC1F 62a_100015423560_100009814007 [0,0,0,1,0,0|2,0,0]=3 7590 B14R1.159 CC(=O)OCCSC1CCCCC1O 62a_100000038908_100009814007 [0,0,0,1,0,0|2,0,0]=3 7591 B14R1.159 CC(=O)OCCSC1CCCCC1O 62a_100009814007_100000038908 [0,0,0,1,0,0|2,0,0]=3 7592 B14R1.159 CC(=O)OCNCC1CCCCC1O 34a_100011216029_100009813279 [0,0,0,1,0,0|2,0,0]=3 7593 B14R1.159 CC(=O)OCNCC1CCCCN1C 34a_100011228421_100009813279 [0,0,0,1,0,0|2,0,0]=3 7594 B14R1.159 CC(=O)OCOCC1CC=CCC1C 34a_100000211322_100009813279 [0,0,0,1,0,0|1,0,2]=4 7595 B14R1.159 CC(=O)OCOCC1CCCCC1=O 34a_100009861125_100009813279 [0,0,0,1,0,0|2,0,1]=4 7596 B14R1.159 CC(=O)OCOCC1CCCCN1C 34a_100000225079_100009813279 [0,0,0,1,0,0|2,0,0]=3 7597 B14R1.159 CC(=O)OCOCC1COCCC1N 34a_214813039666_100009813279 [0,0,0,1,0,0|3,0,0]=4 7598 B14R1.159 CC(=O)OCOCC1COCCN1C 34a_100013547906_100009813279 [0,0,0,1,0,0|3,0,0]=4 7599 B14R1.159 CC(=O)OCSCC1CCCCN1C 62a_100000076356_100015185383 [0,0,0,1,0,0|2,0,0]=3 7600 B14R1.159 CC(=O)OCSCC1CCCCN1C 62a_100015185383_100000076356 [0,0,0,1,0,0|2,0,0]=3 7601 B14R1.159 CC(=O)SCCCN1CCCCC1C 2230a_100000211376_100000038929 [0,0,0,1,0,0|1,1,0]=3 7602 B14R1.159 CC(=O)SCCCN1CCCCC1C 269982a_100000211376_100000038929 [0,0,0,1,0,0|1,1,0]=3 7603 B14R1.159 CC(=O)SCCCN1CCCCC1C 34a_100000211376_100000038929 [0,0,0,1,0,0|1,1,0]=3 7604 B14R1.159 CC(=O)SCCCN1CCOC[C@@H]1C 2230a_100009815349_100000038929 [0,0,0,1,0,0|2,1,0]=4 7605 B14R1.159 CC(=O)SCCCN1CCOC[C@@H]1C 269982a_100009815349_100000038929 [0,0,0,1,0,0|2,1,0]=4 7606 B14R1.159 CC(=O)SCCCN1CCOC[C@@H]1C 34a_100009815349_100000038929 [0,0,0,1,0,0|2,1,0]=4 7607 B14R1.159 CC(=O)SCCNC1CCCCC1C 269862a_100020647217_100000210921 [0,0,0,1,0,0|1,1,0]=3 7608 B14R1.159 CC(=S)OCCCN1CCCCC1C 2230a_100000211376_200135323944 [0,0,0,1,0,0|1,1,0]=3 7609 B14R1.159 CC(=S)OCCCN1CCCCC1C 269982a_100000211376_200135323944 [0,0,0,1,0,0|1,1,0]=3 7610 B14R1.159 CC(=S)OCCCN1CCCCC1C 34a_100000211376_200135323944 [0,0,0,1,0,0|1,1,0]=3 7611 B14R1.159 CC(=S)OCCCN1CCOC[C@@H]1C 2230a_100009815349_200135323944 [0,0,0,1,0,0|2,1,0]=4 7612 B14R1.159 CC(=S)OCCCN1CCOC[C@@H]1C 269982a_100009815349_200135323944 [0,0,0,1,0,0|2,1,0]=4 7613 B14R1.159 CC(=S)OCCCN1CCOC[C@@H]1C 34a_100009815349_200135323944 [0,0,0,1,0,0|2,1,0]=4 7614 B14R1.159 CC(C)OCCCN1CCCCC1C 34a_100000213889_100000210206 [0,0,0,1,0,0|2,0,1]=4 7615 B14R1.159 CC(C)OCCCN1CCCCC1C 7a_100000213889_100000210206 [0,0,0,1,0,0|2,0,1]=4 7616 B14R1.159 CC(C)OCCNC1CCCCC1C 2230a_100000211402_100000211751 [0,0,0,1,0,0|2,0,1]=4 7617 B14R1.159 CC(C)OCCNC1CCCCC1C 269862a_100000701111_100000210921 [0,0,0,1,0,0|2,0,1]=4 7618 B14R1.159 CC(C)OCCNC1CCCCC1C 270004a_100000701111_100000210921 [0,0,0,1,0,0|2,0,1]=4 7619 B14R1.159 CC(C)OCCNC1CCCCC1C 34a_100000211402_100000211751 [0,0,0,1,0,0|2,0,1]=4 7620 B14R1.159 CC(C)OCCOC1CCCCC1C 34a_100000211207_100000211751 [0,0,0,1,0,0|2,0,1]=4 7621 B14R1.159 CC(C)OCCOC1CCCCC1C 7a_100000211207_100000211751 [0,0,0,1,0,0|2,0,1]=4 7622 B14R1.159 CC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000210921 [0,0,0,1,0,0|3,0,0]=4 7623 B14R1.159 CC1CCCCC1NCCCC(=O)N 34a_100000211402_100102525003 [0,0,0,1,0,0|3,0,0]=4 7624 B14R1.159 CC1CCCCC1NCCCS(=O)C 270004a_200000753449_100000210921 [0,0,0,1,0,0|3,0,0]=4 7625 B14R1.159 CC1CCCCC1NCCNC(=O)N 2230a_100000211402_200000034859 [0,0,0,1,0,0|3,0,0]=4 7626 B14R1.159 CC1CCCCC1NCCNC(=O)N 269862a_100020590234_100000210921 [0,0,0,1,0,0|3,0,0]=4 7627 B14R1.159 CC1CCCCC1NCCOC(=O)N 34a_100000211402_200011214921 [0,0,0,1,0,0|2,0,0]=3 7628 B14R1.159 CC1CCCCC1OCCCC(=O)N 34a_100000211207_100102525003 [0,0,0,1,0,0|3,0,0]=4 7629 B14R1.159 CC1CCCCC1OCCCC(=O)N 7a_100000211207_100102525003 [0,0,0,1,0,0|3,0,0]=4 7630 B14R1.159 CC1CCCCC1OCCNC(=O)N 7a_100000211207_200000034859 [0,0,0,1,0,0|3,0,0]=4 7631 B14R1.159 CC1CCCCC1OCCOC(=O)N 34a_100000211207_200011214921 [0,0,0,1,0,0|2,0,0]=3 7632 B14R1.159 CC1CCCCC1OCCOC(=O)N 7a_100000211207_200011214921 [0,0,0,1,0,0|2,0,0]=3 7633 B14R1.159 CC1CCNCC1OCCOC(=O)N 34a_100000696640_200011214921 [0,0,0,1,0,0|3,0,0]=4 7634 B14R1.159 CC1CNCCC1OCCOC(=O)N 34a_100011998114_200011214921 [0,0,0,1,0,0|3,0,0]=4 7635 B14R1.159 NC(=O)OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200011214921 [0,0,0,1,0,0|3,0,0]=4 7636 B14R1.159 NC(=O)OCCOC1CCCCC1Cl 34a_100000038908_200011214921 [0,0,0,1,0,0|3,0,0]=4 7637 B14R1.159 NC(=O)OCCOC1CCCCC1Cl 7a_100000038908_200011214921 [0,0,0,1,0,0|3,0,0]=4 7638 B14R1.159 NC(=O)OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200011214921 [0,0,0,1,0,0|3,0,0]=4 7639 B14R1.159 NC(=O)OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200011214921 [0,0,0,1,0,0|3,0,0]=4 7640 B14R1.159 NC(=O)OCCO[C@H]1CCCC[C@H]1N 34a_100015191688_200011214921 [0,0,0,1,0,0|3,0,0]=4 7641 B14R1.159 NC(=O)OCCSC1CCCCC1F 62a_100015423560_200011214921 [0,0,0,1,0,0|3,0,0]=4 7642 B14R1.159 NC(=O)OCCSC1CCCCC1F 62a_200011214921_100015423560 [0,0,0,1,0,0|3,0,0]=4 7643 B14R1.159 NC(=O)OCCSC1CCCCC1O 62a_100000038908_200011214921 [0,0,0,1,0,0|3,0,0]=4 7644 B14R1.159 NC(=O)OCCSC1CCCCC1O 62a_200011214921_100000038908 [0,0,0,1,0,0|3,0,0]=4 7645 B14R1.168 CC(=O)CCCCOC1CCCC1C 34a_100011216460_100009817362 [0,0,0,1,0,0|2,0,0]=3 7646 B14R1.168 CC(=O)CCCCOC1CCCC1C 7a_100011216460_100000735457 [0,0,0,1,0,0|2,0,0]=3 7647 B14R1.168 CC(=O)CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817362 [0,0,0,1,0,0|3,0,0]=4 7648 B14R1.168 CC(=O)CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817362 [0,0,0,1,0,0|3,0,0]=4 7649 B14R1.168 CC(=O)CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009817362 [0,0,0,1,0,0|3,0,0]=4 7650 B14R1.168 CC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_100000735457_200016002552 [0,0,0,1,0,0|3,0,0]=4 7651 B14R1.168 CC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000735457 [0,0,0,1,0,0|3,0,0]=4 7652 B14R1.168 CC(=O)CCCOCC1CCCN1C 34a_100000743107_100000685027 [0,0,0,1,0,0|3,0,0]=4 7653 B14R1.168 CC(=O)CCOCCC1CCCN1C 34a_100000759926_100000005710 [0,0,0,1,0,0|3,0,0]=4 7654 B14R1.168 CC(=O)CCOCCC1CCCN1C 7a_100000759926_100000005710 [0,0,0,1,0,0|3,0,0]=4 7655 B14R1.168 CC(=O)CCOCCC1CCCN1C 7a_100011215177_100000053229 [0,0,0,1,0,0|3,0,0]=4 7656 B14R1.168 CC(=O)CCSCCC1CCCN1C 62a_100000005710_100000053229 [0,0,0,1,0,0|3,0,0]=4 7657 B14R1.168 CC(=O)CCSCCC1CCCN1C 62a_100000053229_100000005710 [0,0,0,1,0,0|3,0,0]=4 7658 B14R1.168 CC(=O)NCCCNC1CCCC1C 269862a_100000736810_100000752053 [0,0,0,1,0,0|2,0,0]=3 7659 B14R1.168 CC(=O)NCCCNC1CCOC1C 270004a_100000736810_100000691750 [0,0,0,1,0,0|3,0,0]=4 7660 B14R1.168 CC(=O)OCCCCN1CCC[C@@H]1C 269982a_100020605311_100000033659 [0,0,0,1,0,0|1,0,0]=2 7661 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C 269982a_100015189458_100000033659 [0,0,0,1,0,0|1,0,0]=2 7662 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C 34a_100015189458_100000033659 [0,0,0,1,0,0|1,0,0]=2 7663 B14R1.168 CC(=O)OCCCCN1CCSC1C 269982a_200011216479_100000033659 [0,0,0,1,0,0|2,0,0]=3 7664 B14R1.168 CC(=O)OCCCCN1CCSC1C 34a_200011216479_100000033659 [0,0,0,1,0,0|2,0,0]=3 7665 B14R1.168 CC(=O)OCCCOC1CCCC1=O 34a_200000719330_100000042594 [0,0,0,1,0,0|2,0,1]=4 7666 B14R1.168 CC(=O)OCCCOC1CCCC1C 34a_100011216460_100000042594 [0,0,0,1,0,0|1,0,0]=2 7667 B14R1.168 CC(=O)OCCCOC1CCCC1C 7a_100011216460_100000042594 [0,0,0,1,0,0|1,0,0]=2 7668 B14R1.168 CC(=O)OCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000042594 [0,0,0,1,0,0|2,0,0]=3 7669 B14R1.168 CC(=O)OCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000042594 [0,0,0,1,0,0|2,0,0]=3 7670 B14R1.168 CC(=O)OCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000042594 [0,0,0,1,0,0|2,0,0]=3 7671 B14R1.168 CC(=O)OCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000042594 [0,0,0,1,0,0|3,0,0]=4 7672 B14R1.168 CC(=O)OCCCSC1CCCC1=O 62a_100000042594_100000211823 [0,0,0,1,0,0|2,0,1]=4 7673 B14R1.168 CC(=O)OCCCSC1CCCC1=O 62a_100000211823_100000042594 [0,0,0,1,0,0|2,0,1]=4 7674 B14R1.168 CC(=O)OCCCSC1COCC1O 62a_100000042594_200000725654 [0,0,0,1,0,0|3,0,0]=4 7675 B14R1.168 CC(=O)OCCCSC1COCC1O 62a_200000725654_100000042594 [0,0,0,1,0,0|3,0,0]=4 7676 B14R1.168 CC(=O)OCCCS[C@@H]1CCC[C@H]1O 62a_100000042594_200016002552 [0,0,0,1,0,0|2,0,0]=3 7677 B14R1.168 CC(=O)OCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000042594 [0,0,0,1,0,0|2,0,0]=3 7678 B14R1.168 CC(=O)OCCOCC1CCCN1C 34a_100000743107_100009814007 [0,0,0,1,0,0|2,0,0]=3 7679 B14R1.168 CC(=O)OCCOCN1CCC[C@@H]1C 269982a_100020605311_100000076355 [0,0,0,1,0,0|2,0,0]=3 7680 B14R1.168 CC(=O)OCCOCN1CCC[C@H]1C 269982a_100015189458_100000076355 [0,0,0,1,0,0|2,0,0]=3 7681 B14R1.168 CC(=O)OCCOCN1CCC[C@H]1C 34a_100015189458_100000076355 [0,0,0,1,0,0|2,0,0]=3 7682 B14R1.168 CC(=O)OCCOCN1CCSC1C 269982a_200011216479_100000076355 [0,0,0,1,0,0|3,0,0]=4 7683 B14R1.168 CC(=O)OCCOCN1CCSC1C 34a_200011216479_100000076355 [0,0,0,1,0,0|3,0,0]=4 7684 B14R1.168 CC(=O)OCOCCC1CCCN1C 34a_100011215177_100009813279 [0,0,0,1,0,0|2,0,0]=3 7685 B14R1.168 CC(=O)OCSCCC1CCCN1C 62a_100000005710_100000076356 [0,0,0,1,0,0|2,0,0]=3 7686 B14R1.168 CC(=O)OCSCCC1CCCN1C 62a_100000076356_100000005710 [0,0,0,1,0,0|2,0,0]=3 7687 B14R1.168 CC(=O)SCCCCN1CCC[C@@H]1C 2230a_100020605311_200010402107 [0,0,0,1,0,0|1,1,0]=3 7688 B14R1.168 CC(=O)SCCCCN1CCC[C@@H]1C 269982a_100020605311_200010402107 [0,0,0,1,0,0|1,1,0]=3 7689 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 2230a_100015189458_200010402107 [0,0,0,1,0,0|1,1,0]=3 7690 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 269982a_100015189458_200010402107 [0,0,0,1,0,0|1,1,0]=3 7691 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 34a_100015189458_200010402107 [0,0,0,1,0,0|1,1,0]=3 7692 B14R1.168 CC(=O)SCCCCN1CCSC1C 2230a_200011216479_200010402107 [0,0,0,1,0,0|2,1,0]=4 7693 B14R1.168 CC(=O)SCCCCN1CCSC1C 269982a_200011216479_200010402107 [0,0,0,1,0,0|2,1,0]=4 7694 B14R1.168 CC(=O)SCCCCN1CCSC1C 34a_200011216479_200010402107 [0,0,0,1,0,0|2,1,0]=4 7695 B14R1.168 CC(=O)SCCCOC1CCCC1C 34a_100011216460_100000038929 [0,0,0,1,0,0|1,1,0]=3 7696 B14R1.168 CC(=O)SCCCOC1CCCC1C 7a_100011216460_100000038929 [0,0,0,1,0,0|1,1,0]=3 7697 B14R1.168 CC(=O)SCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000038929 [0,0,0,1,0,0|2,1,0]=4 7698 B14R1.168 CC(=O)SCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000038929 [0,0,0,1,0,0|2,1,0]=4 7699 B14R1.168 CC(=O)SCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000038929 [0,0,0,1,0,0|2,1,0]=4 7700 B14R1.168 CC(=O)SCCCS[C@@H]1CCC[C@H]1O 62a_100000038929_200016002552 [0,0,0,1,0,0|2,1,0]=4 7701 B14R1.168 CC(=O)SCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000038929 [0,0,0,1,0,0|2,1,0]=4 7702 B14R1.168 CC(=S)OCCCOC1CCCC1C 34a_100011216460_200135323944 [0,0,0,1,0,0|1,1,0]=3 7703 B14R1.168 CC(=S)OCCCOC1CCCC1C 7a_100011216460_200135323944 [0,0,0,1,0,0|1,1,0]=3 7704 B14R1.168 CC(=S)OCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200135323944 [0,0,0,1,0,0|2,1,0]=4 7705 B14R1.168 CC(=S)OCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_200135323944 [0,0,0,1,0,0|2,1,0]=4 7706 B14R1.168 CC(=S)OCCCO[C@H]1CNC[C@H]1C 34a_200015306588_200135323944 [0,0,0,1,0,0|2,1,0]=4 7707 B14R1.168 CC(=S)OCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_200135323944 [0,0,0,1,0,0|2,1,0]=4 7708 B14R1.168 CC(=S)OCCCS[C@@H]1CCC[C@H]1O 62a_200135323944_200016002552 [0,0,0,1,0,0|2,1,0]=4 7709 B14R1.168 CC(C)OCCCNC1CCCC1C 269862a_100000737246_100000752053 [0,0,0,1,0,0|2,0,1]=4 7710 B14R1.168 CC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000752053 [0,0,0,1,0,0|3,0,0]=4 7711 B14R1.168 CN1CCCC1COCCOC(=O)N 34a_100000743107_200011214921 [0,0,0,1,0,0|3,0,0]=4 7712 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 2230a_100015189458_100009817443 [0,0,0,1,0,0|3,0,0]=4 7713 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 269982a_100015189458_100009817443 [0,0,0,1,0,0|3,0,0]=4 7714 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 34a_100015189458_100009817443 [0,0,0,1,0,0|3,0,0]=4 7715 B14R1.168 C[C@@H]1CCCN1CCCCO[N+](=O)[O-] 269982a_100015189458_100015694321 [0,0,0,1,0,0|3,0,0]=4 7716 B14R1.168 C[C@@H]1CCCN1CCCCO[N+](=O)[O-] 34a_100015189458_100015694321 [0,0,0,1,0,0|3,0,0]=4 7717 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 2230a_100020605311_100009817443 [0,0,0,1,0,0|3,0,0]=4 7718 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 269982a_100020605311_100009817443 [0,0,0,1,0,0|3,0,0]=4 7719 B14R1.168 C[C@H]1CCCN1CCCCO[N+](=O)[O-] 269982a_100020605311_100015694321 [0,0,0,1,0,0|3,0,0]=4 7720 B14R1.221 BrCCCCCCCCCOC1CC1 34a_100009813782_100000211595 [0,0,0,1,0,0|2,0,1]=4 7721 B14R1.221 CCCCCCCCCCNC1CC1 34a_100000212008_100000210320 [0,0,0,1,0,0|2,0,1]=4 7722 B14R1.221 CCCCCCCCCCNC1CC1 34a_100000684558_100000211595 [0,0,0,1,0,0|2,0,1]=4 7723 B14R1.221 CCCCCCCCCCOC1CC1 34a_100000210711_100000211595 [0,0,0,1,0,0|1,0,1]=3 7724 B14R1.221 ClCCCCCCCCCOC1CC1 34a_100009868337_100000211595 [0,0,0,1,0,0|2,0,1]=4 7725 B14R1.221 NCCCCCCCCCOC1CC1 34a_100000078944_100000211595 [0,0,0,1,0,0|2,0,1]=4 7726 B14R1.233 CC(=O)N1CCC[C@@H]1COCCCF 34a_100012242843_100011934791 [0,0,0,1,0,0|3,0,0]=4 7727 B14R1.233 CC(=O)N1CCC[C@@H]1COCCCF 7a_100012242843_100011934791 [0,0,0,1,0,0|3,0,0]=4 7728 B14R1.233 CC(=O)N1CCC[C@@H]1COCCCO 34a_100012242843_100000230001 [0,0,0,1,0,0|3,0,0]=4 7729 B14R1.233 CC(=O)N1CCC[C@@H]1COCCCO 7a_100012242843_100011215043 [0,0,0,1,0,0|3,0,0]=4 7730 B14R1.233 CCCCCCC1CCCC1N(C)C 270004a_100102631434_100000189428 [0,0,0,1,0,0|3,0,0]=4 7731 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210314 [0,0,0,1,0,0|3,0,0]=4 7732 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [0,0,0,1,0,0|3,0,0]=4 7733 B14R1.233 CCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210210 [0,0,0,1,0,0|3,0,0]=4 7734 B14R1.233 CCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210211 [0,0,0,1,0,0|3,0,0]=4 7735 B14R1.233 CCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210210 [0,0,0,1,0,0|2,0,0]=3 7736 B14R1.233 CCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210211 [0,0,0,1,0,0|2,0,0]=3 7737 B14R1.233 COCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100011201679 [0,0,0,1,0,0|3,0,0]=4 7738 B14R1.233 COCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000233755 [0,0,0,1,0,0|3,0,0]=4 7739 B14R1.233 CSCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000212216 [0,0,0,1,0,0|3,0,0]=4 7740 B14R1.233 CSCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000212216 [0,0,0,1,0,0|3,0,0]=4 7741 B14R1.241 CC(=O)OCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009813381 [0,0,0,1,0,0|2,0,0]=3 7742 B14R1.241 CC(=O)OCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009813381 [0,0,0,1,0,0|2,0,0]=3 7743 B14R1.241 CC(=O)OCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000033007 [0,0,0,1,0,0|2,0,0]=3 7744 B14R1.241 CC(=O)OCCCCOCC1CC1C 34a_100000744939_100000033659 [0,0,0,1,0,0|1,0,0]=2 7745 B14R1.241 CC(=O)OCCCCOCC1CC1C 7a_100000744939_100000033659 [0,0,0,1,0,0|1,0,0]=2 7746 B14R1.241 CC(=O)OCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200000083610 [0,0,0,1,0,0|3,0,0]=4 7747 B14R1.241 CC(=O)OCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_200000083610 [0,0,0,1,0,0|3,0,0]=4 7748 B14R1.241 CC(=O)OCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_200000083610 [0,0,0,1,0,0|3,0,0]=4 7749 B14R1.241 CC(=O)OCCOCOCC1CC1C 34a_100000744939_100000076355 [0,0,0,1,0,0|2,0,0]=3 7750 B14R1.241 CC(=O)SCCCCOCC1CC1C 34a_100000744939_200010402107 [0,0,0,1,0,0|1,1,0]=3 7751 B14R1.241 CC(=O)SCCCCOCC1CC1C 7a_100000744939_200010402107 [0,0,0,1,0,0|1,1,0]=3 7752 B14R1.241 CC1CC1COCCCCCC(=O)N 34a_100000744939_100009817443 [0,0,0,1,0,0|3,0,0]=4 7753 B14R1.241 CC1CC1COCCCCCC(=O)N 7a_100000744939_100009817443 [0,0,0,1,0,0|3,0,0]=4 7754 B14R1.241 CC1CC1COCCCCO[N+](=O)[O-] 34a_100000744939_100015694321 [0,0,0,1,0,0|3,0,0]=4 7755 B14R1.241 CC1CC1COCCCCO[N+](=O)[O-] 7a_100000744939_100015694321 [0,0,0,1,0,0|3,0,0]=4 7756 B14R1.258 COCC1CCN1CCCCC(=O)C 269982a_100015195929_100000735457 [0,0,0,1,0,0|3,0,0]=4 7757 B14R1.258 COCC1CCN1CCCCC(=O)C 34a_100015195929_100009817362 [0,0,0,1,0,0|3,0,0]=4 7758 B14R1.258 COCC1CCN1CCCOC(=O)C 269982a_100015195929_100000042594 [0,0,0,1,0,0|2,0,0]=3 7759 B14R1.258 COCC1CCN1CCCOC(=O)C 34a_100015195929_100000042594 [0,0,0,1,0,0|2,0,0]=3 7760 B14R1.258 COCC1CCN1CCCOC(=S)C 2230a_100015195929_200135323944 [0,0,0,1,0,0|2,1,0]=4 7761 B14R1.258 COCC1CCN1CCCOC(=S)C 269982a_100015195929_200135323944 [0,0,0,1,0,0|2,1,0]=4 7762 B14R1.258 COCC1CCN1CCCOC(=S)C 34a_100015195929_200135323944 [0,0,0,1,0,0|2,1,0]=4 7763 B14R1.258 COCC1CCN1CCCSC(=O)C 2230a_100015195929_100000038929 [0,0,0,1,0,0|2,1,0]=4 7764 B14R1.258 COCC1CCN1CCCSC(=O)C 269982a_100015195929_100000038929 [0,0,0,1,0,0|2,1,0]=4 7765 B14R1.258 COCC1CCN1CCCSC(=O)C 34a_100015195929_100000038929 [0,0,0,1,0,0|2,1,0]=4 7766 B14R1.325 CC(=O)OCCCCCN1CCC1C 269982a_100000755817_100000033007 [0,0,0,1,0,0|1,0,0]=2 7767 B14R1.325 CC(=O)OCCCCCN1CCC1C 34a_100000755817_100000033007 [0,0,0,1,0,0|1,0,0]=2 7768 B14R1.325 CC(=O)OCCCCOC1CCC1=O 34a_100000073216_100009892977 [0,0,0,1,0,0|2,0,1]=4 7769 B14R1.325 CC(=O)OCCCCOC1CCC1=O 7a_100000073216_100009892977 [0,0,0,1,0,0|2,0,1]=4 7770 B14R1.325 CC(=O)OCCCCSC1CCC1=O 62a_100000033659_100009892977 [0,0,0,1,0,0|2,0,1]=4 7771 B14R1.325 CC(=O)OCCCCSC1CCC1=O 62a_100009892977_100000033659 [0,0,0,1,0,0|2,0,1]=4 7772 B14R1.325 CC(=O)OCCOCCN1CCC1C 269982a_100000755817_200000083610 [0,0,0,1,0,0|2,0,0]=3 7773 B14R1.325 CC(=O)OCCOCCN1CCC1C 34a_100000755817_200000083610 [0,0,0,1,0,0|2,0,0]=3 7774 B14R1.325 CC(=O)OCCSCCC1CCC1=O 62a_100009814007_200016118888 [0,0,0,1,0,0|2,0,1]=4 7775 B14R1.325 CC(=O)OCCSCCC1CCC1=O 62a_200016118888_100009814007 [0,0,0,1,0,0|2,0,1]=4 7776 B14R1.329 CC(=O)OCSC1CCCCCC1=O 62a_100000076356_100000243696 [0,0,0,1,0,0|2,0,1]=4 7777 B14R1.329 CC(=O)OCSC1CCCCCC1=O 62a_100000243696_100000076356 [0,0,0,1,0,0|2,0,1]=4 7778 B14R1.422 C=C(C)CCNCCC1CCCCC1 2230a_100000738074_100000730704 [0,0,0,1,0,0|3,0,0]=4 7779 B14R1.422 C=C(C)CCNCCC1CCCCC1 34a_100000738074_100000730704 [0,0,0,1,0,0|3,0,0]=4 7780 B14R1.422 C=C(C)CCOCCC1CCCCC1 34a_100000764851_100011209188 [0,0,0,1,0,0|3,0,0]=4 7781 B14R1.422 C=C(C)CCOCCC1CCCCC1 34a_100011217863_100000730704 [0,0,0,1,0,0|3,0,0]=4 7782 B14R1.422 C=C(C)CCOCCC1CCCCC1 7a_100011217863_100000730704 [0,0,0,1,0,0|3,0,0]=4 7783 B14R1.422 C=C(C)CCSCCC1CCCCC1 62a_100000730704_100012355289 [0,0,0,1,0,0|3,0,0]=4 7784 B14R1.422 C=C(C)CCSCCC1CCCCC1 62a_100012355289_100000730704 [0,0,0,1,0,0|3,0,0]=4 7785 B14R1.422 C=C(C)CNCCCC1CCCCC1 2230a_100011211642_100000748629 [0,0,0,1,0,0|3,0,0]=4 7786 B14R1.422 C=C(C)CNCCCC1CCCCC1 34a_100011211642_100000748629 [0,0,0,1,0,0|3,0,0]=4 7787 B14R1.422 C=C(C)COCCCC1CCCCC1 34a_100000198086_100000748629 [0,0,0,1,0,0|3,0,0]=4 7788 B14R1.422 C=C(C)COCCCC1CCCCC1 34a_100000210245_100011713725 [0,0,0,1,0,0|3,0,0]=4 7789 B14R1.422 C=C(C)COCCCC1CCCCC1 7a_100000198086_100000748629 [0,0,0,1,0,0|3,0,0]=4 7790 B14R1.422 C=C(C)CSCCCC1CCCCC1 62a_100000748629_100011713725 [0,0,0,1,0,0|3,0,0]=4 7791 B14R1.422 C=C(C)CSCCCC1CCCCC1 62a_100011713725_100000211660 [0,0,0,1,0,0|3,0,0]=4 7792 B14R1.422 CC(=CCCNCC1CCCCC1)C 2230a_100000210473_100011217483 [0,0,0,1,0,0|3,0,0]=4 7793 B14R1.422 CC(=CCCNCC1CCCCC1)C 34a_100000210473_100011217483 [0,0,0,1,0,0|3,0,0]=4 7794 B14R1.422 CC(=CCCOCC1CCCCC1)C 34a_100000212181_100011217483 [0,0,0,1,0,0|3,0,0]=4 7795 B14R1.422 CC(=CCCOCC1CCCCC1)C 7a_100000212181_100011217483 [0,0,0,1,0,0|3,0,0]=4 7796 B14R1.422 CC(=CCCSCC1CCCCC1)C 62a_100000211423_100011217483 [0,0,0,1,0,0|3,0,0]=4 7797 B14R1.422 CC(=CCCSCC1CCCCC1)C 62a_100011217483_100000211423 [0,0,0,1,0,0|3,0,0]=4 7798 B14R1.422 CC(=CCNCCC1CCCCC1)C 2230a_100000738074_100000761012 [0,0,0,1,0,0|3,0,0]=4 7799 B14R1.422 CC(=CCNCCC1CCCCC1)C 270004a_100000718196_100011713444 [0,0,0,1,0,0|3,0,0]=4 7800 B14R1.422 CC(=CCNCCC1CCCCC1)C 34a_100000718196_100011209188 [0,0,0,1,0,0|3,0,0]=4 7801 B14R1.422 CC(=CCNCCC1CCCCC1)C 34a_100000738074_100000761012 [0,0,0,1,0,0|3,0,0]=4 7802 B14R1.422 CC(=CCOCCC1CCCCC1)C 34a_100000753907_100011209188 [0,0,0,1,0,0|3,0,0]=4 7803 B14R1.422 CC(=CCOCCC1CCCCC1)C 34a_100011217863_100000761012 [0,0,0,1,0,0|3,0,0]=4 7804 B14R1.422 CC(=CCOCCC1CCCCC1)C 7a_100011217863_100000761012 [0,0,0,1,0,0|3,0,0]=4 7805 B14R1.422 CC(=CCSCCC1CCCCC1)C 62a_100000761012_100012355289 [0,0,0,1,0,0|3,0,0]=4 7806 B14R1.422 CC(=CCSCCC1CCCCC1)C 62a_100012355289_100000761012 [0,0,0,1,0,0|3,0,0]=4 7807 B14R1.422 CC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000210301 [0,0,0,1,0,0|2,0,0]=3 7808 B14R1.422 CC(=O)CCCCCN1CCOCC1 1458a_100012051560_200000210301 [0,0,0,1,0,0|3,0,0]=4 7809 B14R1.422 CC(=O)CCCCNC1CCCCC1 34a_100000182618_100009817362 [0,0,0,1,0,0|2,0,0]=3 7810 B14R1.422 CC(=O)CCCCNC1CCCOC1 34a_100000719290_100009817362 [0,0,0,1,0,0|3,0,0]=4 7811 B14R1.422 CC(=O)CCCCNC1CCOCC1 34a_100000741149_100009817362 [0,0,0,1,0,0|3,0,0]=4 7812 B14R1.422 CC(=O)CCCCNC1CCSCC1 34a_100000748639_100009817362 [0,0,0,1,0,0|3,0,0]=4 7813 B14R1.422 CC(=O)CCCCOC1CCCCC1 34a_100000210231_100009817362 [0,0,0,1,0,0|2,0,0]=3 7814 B14R1.422 CC(=O)CCCCOC1CCCCC1 7a_100000210231_100000735457 [0,0,0,1,0,0|2,0,0]=3 7815 B14R1.422 CC(=O)CCCCOC1CCCCO1 1458a_100000070787_100000031530 [0,0,0,1,0,0|3,0,0]=4 7816 B14R1.422 CC(=O)CCCCOC1CCCCO1 34a_100000033831_100009817362 [0,0,0,1,0,0|3,0,0]=4 7817 B14R1.422 CC(=O)CCCCOC1CCCOC1 34a_100000754041_100009817362 [0,0,0,1,0,0|3,0,0]=4 7818 B14R1.422 CC(=O)CCCCOC1CCCSC1 7a_100015962668_100000735457 [0,0,0,1,0,0|3,0,0]=4 7819 B14R1.422 CC(=O)CCCCOC1CCOCC1 34a_100000744328_100009817362 [0,0,0,1,0,0|3,0,0]=4 7820 B14R1.422 CC(=O)CCCCOC1CCSCC1 34a_100000731022_100009817362 [0,0,0,1,0,0|3,0,0]=4 7821 B14R1.422 CC(=O)CCCCOC1CCSCC1 7a_100000731022_100000735457 [0,0,0,1,0,0|3,0,0]=4 7822 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000210327_100000735457 [0,0,0,1,0,0|2,0,0]=3 7823 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000735457_100000210327 [0,0,0,1,0,0|2,0,0]=3 7824 B14R1.422 CC(=O)CCCCSC1CCCOC1 62a_100000735457_100000693364 [0,0,0,1,0,0|3,0,0]=4 7825 B14R1.422 CC(=O)CCCCSC1CCOCC1 62a_100000735457_100011324220 [0,0,0,1,0,0|3,0,0]=4 7826 B14R1.422 CC(=O)CCCCSC1CCSCC1 62a_100000735457_100000069128 [0,0,0,1,0,0|3,0,0]=4 7827 B14R1.422 CC(=O)CCCNCC1CCCCC1 34a_100000210473_100000685027 [0,0,0,1,0,0|2,0,0]=3 7828 B14R1.422 CC(=O)CCCNCC1CCCCO1 34a_100000174945_100000685027 [0,0,0,1,0,0|3,0,0]=4 7829 B14R1.422 CC(=O)CCCNCC1CCCOC1 34a_100000720124_100000685027 [0,0,0,1,0,0|3,0,0]=4 7830 B14R1.422 CC(=O)CCCNCC1CCOCC1 34a_100000746373_100000685027 [0,0,0,1,0,0|3,0,0]=4 7831 B14R1.422 CC(=O)CCCNCC1CCSCC1 34a_100015188806_100000685027 [0,0,0,1,0,0|3,0,0]=4 7832 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000212181_100000685027 [0,0,0,1,0,0|2,0,0]=3 7833 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000759063_100000211423 [0,0,0,1,0,0|2,0,0]=3 7834 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000212181_100011215641 [0,0,0,1,0,0|2,0,0]=3 7835 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000759063_100000211423 [0,0,0,1,0,0|2,0,0]=3 7836 B14R1.422 CC(=O)CCCOCC1CCCCN1 34a_100000210821_100000685027 [0,0,0,1,0,0|3,0,0]=4 7837 B14R1.422 CC(=O)CCCOCC1CCCCO1 34a_100000211370_100000685027 [0,0,0,1,0,0|3,0,0]=4 7838 B14R1.422 CC(=O)CCCOCC1CCCCO1 34a_100000759063_100000211543 [0,0,0,1,0,0|3,0,0]=4 7839 B14R1.422 CC(=O)CCCOCC1CCCCO1 7a_100000211370_100011215641 [0,0,0,1,0,0|3,0,0]=4 7840 B14R1.422 CC(=O)CCCOCC1CCCCO1 7a_100000759063_100000211543 [0,0,0,1,0,0|3,0,0]=4 7841 B14R1.422 CC(=O)CCCOCC1CCCNC1 34a_100000211344_100000685027 [0,0,0,1,0,0|3,0,0]=4 7842 B14R1.422 CC(=O)CCCOCC1CCCOC1 34a_100000741520_100000685027 [0,0,0,1,0,0|3,0,0]=4 7843 B14R1.422 CC(=O)CCCOCC1CCCOC1 34a_100000759063_100000741521 [0,0,0,1,0,0|3,0,0]=4 7844 B14R1.422 CC(=O)CCCOCC1CCCOC1 7a_100000759063_100000741521 [0,0,0,1,0,0|3,0,0]=4 7845 B14R1.422 CC(=O)CCCOCC1CCNCC1 34a_100000738675_100000685027 [0,0,0,1,0,0|3,0,0]=4 7846 B14R1.422 CC(=O)CCCOCC1CCOCC1 34a_100000749013_100000685027 [0,0,0,1,0,0|3,0,0]=4 7847 B14R1.422 CC(=O)CCCOCC1CCOCC1 34a_100000759063_100000754603 [0,0,0,1,0,0|3,0,0]=4 7848 B14R1.422 CC(=O)CCCOCC1CCOCC1 7a_100000759063_100000754603 [0,0,0,1,0,0|3,0,0]=4 7849 B14R1.422 CC(=O)CCCOCC1CCSCC1 34a_100000070558_100000685027 [0,0,0,1,0,0|3,0,0]=4 7850 B14R1.422 CC(=O)CCCOCC1CCSCC1 7a_100000070558_100011215641 [0,0,0,1,0,0|3,0,0]=4 7851 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100000211423_100011215641 [0,0,0,1,0,0|2,0,0]=3 7852 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100011215641_100000211423 [0,0,0,1,0,0|2,0,0]=3 7853 B14R1.422 CC(=O)CCCSCC1CCCCO1 62a_100000211543_100011215641 [0,0,0,1,0,0|3,0,0]=4 7854 B14R1.422 CC(=O)CCCSCC1CCCCO1 62a_100011215641_100000211543 [0,0,0,1,0,0|3,0,0]=4 7855 B14R1.422 CC(=O)CCCSCC1CCCOC1 62a_100000741521_100011215641 [0,0,0,1,0,0|3,0,0]=4 7856 B14R1.422 CC(=O)CCCSCC1CCCOC1 62a_100011215641_100000741521 [0,0,0,1,0,0|3,0,0]=4 7857 B14R1.422 CC(=O)CCCSCC1CCOCC1 62a_100000754603_100011215641 [0,0,0,1,0,0|3,0,0]=4 7858 B14R1.422 CC(=O)CCCSCC1CCOCC1 62a_100011215641_100000749018 [0,0,0,1,0,0|3,0,0]=4 7859 B14R1.422 CC(=O)CCOCCC1CCCCC1 34a_100000759926_100011209188 [0,0,0,1,0,0|2,0,0]=3 7860 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100000759926_100011273959 [0,0,0,1,0,0|2,0,0]=3 7861 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100011217863_100000053229 [0,0,0,1,0,0|2,0,0]=3 7862 B14R1.422 CC(=O)CCOCCC1CCOCC1 34a_100000759926_100011934994 [0,0,0,1,0,0|3,0,0]=4 7863 B14R1.422 CC(=O)CCOCCC1CCOCC1 7a_100000759926_100011934994 [0,0,0,1,0,0|3,0,0]=4 7864 B14R1.422 CC(=O)CCOCCC1CCOCC1 7a_100011933979_100000053229 [0,0,0,1,0,0|3,0,0]=4 7865 B14R1.422 CC(=O)CCOCCN1CCCCC1 34a_100000759926_100000739454 [0,0,0,1,0,0|3,0,0]=4 7866 B14R1.422 CC(=O)CCOCCN1CCCCC1 7a_100000759926_100000739454 [0,0,0,1,0,0|3,0,0]=4 7867 B14R1.422 CC(=O)CCOCOC1CCCCC1 34a_100000759926_100011935260 [0,0,0,1,0,0|3,0,0]=4 7868 B14R1.422 CC(=O)CCOCOC1CCCCC1 7a_100000759926_100011935260 [0,0,0,1,0,0|3,0,0]=4 7869 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100000053229_100012355289 [0,0,0,1,0,0|2,0,0]=3 7870 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100012355289_100000053229 [0,0,0,1,0,0|2,0,0]=3 7871 B14R1.422 CC(=O)CCSCCC1CCOCC1 62a_100000053229_100011934994 [0,0,0,1,0,0|3,0,0]=4 7872 B14R1.422 CC(=O)CCSCCC1CCOCC1 62a_100011934994_100000053229 [0,0,0,1,0,0|3,0,0]=4 7873 B14R1.422 CC(=O)CCSCCN1CCCCC1 62a_100000053229_100000739454 [0,0,0,1,0,0|3,0,0]=4 7874 B14R1.422 CC(=O)CCSCCN1CCCCC1 62a_100000739454_100000053229 [0,0,0,1,0,0|3,0,0]=4 7875 B14R1.422 CC(=O)CCSCOC1CCCCC1 62a_100000053229_100011935260 [0,0,0,1,0,0|3,0,0]=4 7876 B14R1.422 CC(=O)CCSCOC1CCCCC1 62a_100011935260_100000053229 [0,0,0,1,0,0|3,0,0]=4 7877 B14R1.422 CC(=O)COCCCC1CCCCC1 34a_100000211253_100011713725 [0,0,0,1,0,0|2,0,0]=3 7878 B14R1.422 CC(=O)COCCCN1CCCCC1 34a_100000211253_100000690320 [0,0,0,1,0,0|3,0,0]=4 7879 B14R1.422 CC(=O)COCCOC1CCCCC1 34a_100000211253_100011211530 [0,0,0,1,0,0|3,0,0]=4 7880 B14R1.422 CC(=O)NCCCCN1CCCCC1 240690a_200011207366_100015343762 [0,0,0,1,0,0|2,0,0]=3 7881 B14R1.422 CC(=O)NCCCCN1CCOCC1 240690a_100000740306_100015343762 [0,0,0,1,0,0|3,0,0]=4 7882 B14R1.422 CC(=O)NCCCCN1CCOCC1 527a_100000740306_100103153847 [0,0,0,1,0,0|3,0,0]=4 7883 B14R1.422 CC(=O)NCCCNC1CCCCC1 270004a_100000736810_100000210434 [0,0,0,1,0,0|2,0,0]=3 7884 B14R1.422 CC(=O)NCCCNC1CCCCC1 34a_100000736810_100000210327 [0,0,0,1,0,0|2,0,0]=3 7885 B14R1.422 CC(=O)NCCCNC1CCCOC1 270004a_100000736810_100000753404 [0,0,0,1,0,0|3,0,0]=4 7886 B14R1.422 CC(=O)NCCCNC1CCCOC1 34a_100000736810_100000693364 [0,0,0,1,0,0|3,0,0]=4 7887 B14R1.422 CC(=O)NCCCNC1CCCSC1 270004a_100000736810_100000057913 [0,0,0,1,0,0|3,0,0]=4 7888 B14R1.422 CC(=O)NCCCNC1CCNCC1 270004a_100000736810_100015192401 [0,0,0,1,0,0|3,0,0]=4 7889 B14R1.422 CC(=O)NCCCNC1CCOCC1 270004a_100000736810_100011217826 [0,0,0,1,0,0|3,0,0]=4 7890 B14R1.422 CC(=O)NCCCNC1CCSCC1 270004a_100000736810_100000203788 [0,0,0,1,0,0|3,0,0]=4 7891 B14R1.422 CC(=O)NCCCNC1CCSCC1 34a_100000736810_100000069128 [0,0,0,1,0,0|3,0,0]=4 7892 B14R1.422 CC(=O)NCCCOC1CCCCC1 11a_100000205933_100015343762 [0,0,0,1,0,0|2,0,0]=3 7893 B14R1.422 CC(=O)NCCCOC1CCCCC1 1626a_100000205933_100015343762 [0,0,0,1,0,0|2,0,0]=3 7894 B14R1.422 CC(=O)NCCCOC1CCCCC1 240690a_100000205933_100015343762 [0,0,0,1,0,0|2,0,0]=3 7895 B14R1.422 CC(=O)NCCCOC1CCCCC1 34a_100000752032_100000210327 [0,0,0,1,0,0|2,0,0]=3 7896 B14R1.422 CC(=O)NCCCOC1CCCCC1 527a_100000205933_100103153847 [0,0,0,1,0,0|2,0,0]=3 7897 B14R1.422 CC(=O)NCCCOC1CCCOC1 34a_100000752032_100000693364 [0,0,0,1,0,0|3,0,0]=4 7898 B14R1.422 CC(=O)NCCCOC1CCSCC1 34a_100000752032_100000069128 [0,0,0,1,0,0|3,0,0]=4 7899 B14R1.422 CC(=O)NCCNCC1CCCCC1 2230a_100000209853_100000211423 [0,0,0,1,0,0|2,0,0]=3 7900 B14R1.422 CC(=O)NCCNCC1CCCCC1 2230a_100000210473_100000189650 [0,0,0,1,0,0|2,0,0]=3 7901 B14R1.422 CC(=O)NCCNCC1CCCCC1 269862a_100000209853_100000211278 [0,0,0,1,0,0|2,0,0]=3 7902 B14R1.422 CC(=O)NCCNCC1CCCCO1 2230a_100000174945_100000189650 [0,0,0,1,0,0|3,0,0]=4 7903 B14R1.422 CC(=O)NCCNCC1CCCCO1 2230a_100000209853_100000211543 [0,0,0,1,0,0|3,0,0]=4 7904 B14R1.422 CC(=O)NCCNCC1CCCOC1 2230a_100000209853_100000741521 [0,0,0,1,0,0|3,0,0]=4 7905 B14R1.422 CC(=O)NCCNCC1CCCOC1 2230a_100000720124_100000189650 [0,0,0,1,0,0|3,0,0]=4 7906 B14R1.422 CC(=O)NCCNCC1CCOCC1 2230a_100000209853_100000754603 [0,0,0,1,0,0|3,0,0]=4 7907 B14R1.422 CC(=O)NCCNCC1CCOCC1 2230a_100000746373_100000189650 [0,0,0,1,0,0|3,0,0]=4 7908 B14R1.422 CC(=O)NCCNCC1CCOCC1 269862a_100000209853_100000749017 [0,0,0,1,0,0|3,0,0]=4 7909 B14R1.422 CC(=O)NCCNCC1CCSCC1 2230a_100015188806_100000189650 [0,0,0,1,0,0|3,0,0]=4 7910 B14R1.422 CC(=O)NCCNCC1CCSCC1 269862a_100000209853_100000067145 [0,0,0,1,0,0|3,0,0]=4 7911 B14R1.422 CC(=O)NCCOCC1CCCCC1 34a_100000158858_100000211423 [0,0,0,1,0,0|2,0,0]=3 7912 B14R1.422 CC(=O)NCCOCC1CCCCC1 7a_100000212181_100000189650 [0,0,0,1,0,0|2,0,0]=3 7913 B14R1.422 CC(=O)NCCOCC1CCCCO1 34a_100000158858_100000211543 [0,0,0,1,0,0|3,0,0]=4 7914 B14R1.422 CC(=O)NCCOCC1CCCCO1 7a_100000211370_100000189650 [0,0,0,1,0,0|3,0,0]=4 7915 B14R1.422 CC(=O)NCCOCC1CCCOC1 34a_100000158858_100000741521 [0,0,0,1,0,0|3,0,0]=4 7916 B14R1.422 CC(=O)NCCOCC1CCOCC1 34a_100000158858_100000754603 [0,0,0,1,0,0|3,0,0]=4 7917 B14R1.422 CC(=O)NCCOCC1CCSCC1 7a_100000070558_100000189650 [0,0,0,1,0,0|3,0,0]=4 7918 B14R1.422 CC(=O)NCCSCC1CCCCC1 62a_100000189650_100000211423 [0,0,0,1,0,0|2,0,0]=3 7919 B14R1.422 CC(=O)NCCSCC1CCCCC1 62a_100000211423_100000189650 [0,0,0,1,0,0|2,0,0]=3 7920 B14R1.422 CC(=O)NCCSCC1CCCCO1 62a_100000189650_100000211543 [0,0,0,1,0,0|3,0,0]=4 7921 B14R1.422 CC(=O)NCCSCC1CCCCO1 62a_100000211543_100000189650 [0,0,0,1,0,0|3,0,0]=4 7922 B14R1.422 CC(=O)NCCSCC1CCCOC1 62a_100000189650_100000741521 [0,0,0,1,0,0|3,0,0]=4 7923 B14R1.422 CC(=O)NCCSCC1CCCOC1 62a_100000741521_100000189650 [0,0,0,1,0,0|3,0,0]=4 7924 B14R1.422 CC(=O)NCCSCC1CCOCC1 62a_100000189650_100000749018 [0,0,0,1,0,0|3,0,0]=4 7925 B14R1.422 CC(=O)NCCSCC1CCOCC1 62a_100000754603_100000189650 [0,0,0,1,0,0|3,0,0]=4 7926 B14R1.422 CC(=O)NN=CCCC1CCCCC1 4a_100000189765_200000189433 [0,0,0,1,0,0|2,0,1]=4 7927 B14R1.422 CC(=O)OCCCCN1CC=CCC1 269982a_100000698166_100000033659 [0,0,0,1,0,0|1,0,2]=4 7928 B14R1.422 CC(=O)OCCCCN1CC=CCC1 34a_100000698166_100000033659 [0,0,0,1,0,0|1,0,2]=4 7929 B14R1.422 CC(=O)OCCCCN1CCCOC1 269982a_100000131196_100000033659 [0,0,0,1,0,0|2,0,0]=3 7930 B14R1.422 CC(=O)OCCCCN1CCCOC1 34a_100000131196_100000033659 [0,0,0,1,0,0|2,0,0]=3 7931 B14R1.422 CC(=O)OCCCCN1CCOCC1 269982a_100015191051_100000033659 [0,0,0,1,0,0|2,0,0]=3 7932 B14R1.422 CC(=O)OCCCCN1CCOCC1 34a_100015191051_100000033659 [0,0,0,1,0,0|2,0,0]=3 7933 B14R1.422 CC(=O)OCCCCN1CCSCC1 269982a_100000737611_100000033659 [0,0,0,1,0,0|2,0,0]=3 7934 B14R1.422 CC(=O)OCCCNC1CCCCC1 34a_100000182618_100000042594 [0,0,0,1,0,0|1,0,0]=2 7935 B14R1.422 CC(=O)OCCCNC1CCCOC1 34a_100000719290_100000042594 [0,0,0,1,0,0|2,0,0]=3 7936 B14R1.422 CC(=O)OCCCNC1CCOCC1 34a_100000741149_100000042594 [0,0,0,1,0,0|2,0,0]=3 7937 B14R1.422 CC(=O)OCCCNC1CCSCC1 34a_100000748639_100000042594 [0,0,0,1,0,0|2,0,0]=3 7938 B14R1.422 CC(=O)OCCCOC1C=CCCC1 34a_100011215024_100000042594 [0,0,0,1,0,0|1,0,2]=4 7939 B14R1.422 CC(=O)OCCCOC1CC=CCC1 34a_100000073881_100000042594 [0,0,0,1,0,0|1,0,2]=4 7940 B14R1.422 CC(=O)OCCCOC1CCCCC1 34a_100000210231_100000042594 [0,0,0,1,0,0|1,0,0]=2 7941 B14R1.422 CC(=O)OCCCOC1CCCCC1 7a_100000210231_100000042594 [0,0,0,1,0,0|1,0,0]=2 7942 B14R1.422 CC(=O)OCCCOC1CCCCO1 34a_100000033831_100000042594 [0,0,0,1,0,0|2,0,0]=3 7943 B14R1.422 CC(=O)OCCCOC1CCCOC1 34a_100000754041_100000042594 [0,0,0,1,0,0|2,0,0]=3 7944 B14R1.422 CC(=O)OCCCOC1CCCSC1 7a_100015962668_100000042594 [0,0,0,1,0,0|2,0,0]=3 7945 B14R1.422 CC(=O)OCCCOC1CCOCC1 34a_100000744328_100000042594 [0,0,0,1,0,0|2,0,0]=3 7946 B14R1.422 CC(=O)OCCCOC1CCSCC1 34a_100000731022_100000042594 [0,0,0,1,0,0|2,0,0]=3 7947 B14R1.422 CC(=O)OCCCOC1CCSCC1 7a_100000731022_100000042594 [0,0,0,1,0,0|2,0,0]=3 7948 B14R1.422 CC(=O)OCCCSC1C=CCCC1 62a_100000042594_100000751183 [0,0,0,1,0,0|1,0,2]=4 7949 B14R1.422 CC(=O)OCCCSC1C=CCCC1 62a_100000751183_100000042594 [0,0,0,1,0,0|1,0,2]=4 7950 B14R1.422 CC(=O)OCCCSC1CCCCC1 62a_100000042594_100000210327 [0,0,0,1,0,0|1,0,0]=2 7951 B14R1.422 CC(=O)OCCCSC1CCCCC1 62a_100000210327_100000042594 [0,0,0,1,0,0|1,0,0]=2 7952 B14R1.422 CC(=O)OCCCSC1CCCOC1 62a_100000042594_100000693364 [0,0,0,1,0,0|2,0,0]=3 7953 B14R1.422 CC(=O)OCCCSC1CCOCC1 62a_100000042594_100011324220 [0,0,0,1,0,0|2,0,0]=3 7954 B14R1.422 CC(=O)OCCCSC1CCSCC1 62a_100000042594_100000069128 [0,0,0,1,0,0|2,0,0]=3 7955 B14R1.422 CC(=O)OCCNCC1CCCCC1 34a_100000210473_100009814007 [0,0,0,1,0,0|1,0,0]=2 7956 B14R1.422 CC(=O)OCCNCC1CCCCO1 34a_100000174945_100009814007 [0,0,0,1,0,0|2,0,0]=3 7957 B14R1.422 CC(=O)OCCNCC1CCCOC1 34a_100000720124_100009814007 [0,0,0,1,0,0|2,0,0]=3 7958 B14R1.422 CC(=O)OCCNCC1CCOCC1 34a_100000746373_100009814007 [0,0,0,1,0,0|2,0,0]=3 7959 B14R1.422 CC(=O)OCCNCC1CCSCC1 34a_100015188806_100009814007 [0,0,0,1,0,0|2,0,0]=3 7960 B14R1.422 CC(=O)OCCNC[C@H]1COCCO1 34a_100010981119_100009814007 [0,0,0,1,0,0|3,0,0]=4 7961 B14R1.422 CC(=O)OCCOCC1CC=CCC1 34a_100000210713_100009814007 [0,0,0,1,0,0|1,0,2]=4 7962 B14R1.422 CC(=O)OCCOCC1CCCCC1 34a_100000212181_100009814007 [0,0,0,1,0,0|1,0,0]=2 7963 B14R1.422 CC(=O)OCCOCC1CCCCC1 7a_100000212181_100009814007 [0,0,0,1,0,0|1,0,0]=2 7964 B14R1.422 CC(=O)OCCOCC1CCCCN1 34a_100000210821_100009814007 [0,0,0,1,0,0|2,0,0]=3 7965 B14R1.422 CC(=O)OCCOCC1CCCCO1 34a_100000211370_100009814007 [0,0,0,1,0,0|2,0,0]=3 7966 B14R1.422 CC(=O)OCCOCC1CCCCO1 7a_100000211370_100009814007 [0,0,0,1,0,0|2,0,0]=3 7967 B14R1.422 CC(=O)OCCOCC1CCCNC1 34a_100000211344_100009814007 [0,0,0,1,0,0|2,0,0]=3 7968 B14R1.422 CC(=O)OCCOCC1CCCOC1 34a_100000741520_100009814007 [0,0,0,1,0,0|2,0,0]=3 7969 B14R1.422 CC(=O)OCCOCC1CCNCC1 34a_100000738675_100009814007 [0,0,0,1,0,0|2,0,0]=3 7970 B14R1.422 CC(=O)OCCOCC1CCOCC1 34a_100000749013_100009814007 [0,0,0,1,0,0|2,0,0]=3 7971 B14R1.422 CC(=O)OCCOCC1CCSCC1 34a_100000070558_100009814007 [0,0,0,1,0,0|2,0,0]=3 7972 B14R1.422 CC(=O)OCCOCC1CCSCC1 7a_100000070558_100009814007 [0,0,0,1,0,0|2,0,0]=3 7973 B14R1.422 CC(=O)OCCOCN1CCCOC1 269982a_100000131196_100000076355 [0,0,0,1,0,0|3,0,0]=4 7974 B14R1.422 CC(=O)OCCOCN1CCCOC1 34a_100000131196_100000076355 [0,0,0,1,0,0|3,0,0]=4 7975 B14R1.422 CC(=O)OCCOCN1CCOCC1 269982a_100015191051_100000076355 [0,0,0,1,0,0|3,0,0]=4 7976 B14R1.422 CC(=O)OCCOCN1CCOCC1 34a_100015191051_100000076355 [0,0,0,1,0,0|3,0,0]=4 7977 B14R1.422 CC(=O)OCCOCN1CCSCC1 269982a_100000737611_100000076355 [0,0,0,1,0,0|3,0,0]=4 7978 B14R1.422 CC(=O)OCCOC[C@@H]1CNCCO1 34a_100015189573_100009814007 [0,0,0,1,0,0|3,0,0]=4 7979 B14R1.422 CC(=O)OCCOC[C@@H]1COCCN1 34a_100000717676_100009814007 [0,0,0,1,0,0|3,0,0]=4 7980 B14R1.422 CC(=O)OCCOC[C@H]1COCCO1 34a_100009875890_100009814007 [0,0,0,1,0,0|3,0,0]=4 7981 B14R1.422 CC(=O)OCCSCC1CCCCC1 62a_100000211423_100009814007 [0,0,0,1,0,0|1,0,0]=2 7982 B14R1.422 CC(=O)OCCSCC1CCCCC1 62a_100009814007_100000211423 [0,0,0,1,0,0|1,0,0]=2 7983 B14R1.422 CC(=O)OCCSCC1CCCCO1 62a_100000211543_100009814007 [0,0,0,1,0,0|2,0,0]=3 7984 B14R1.422 CC(=O)OCCSCC1CCCCO1 62a_100009814007_100000211543 [0,0,0,1,0,0|2,0,0]=3 7985 B14R1.422 CC(=O)OCCSCC1CCCOC1 62a_100000741521_100009814007 [0,0,0,1,0,0|2,0,0]=3 7986 B14R1.422 CC(=O)OCCSCC1CCCOC1 62a_100009814007_100000741521 [0,0,0,1,0,0|2,0,0]=3 7987 B14R1.422 CC(=O)OCCSCC1CCOCC1 62a_100000754603_100009814007 [0,0,0,1,0,0|2,0,0]=3 7988 B14R1.422 CC(=O)OCCSCC1CCOCC1 62a_100009814007_100000749018 [0,0,0,1,0,0|2,0,0]=3 7989 B14R1.422 CC(=O)OCNCCC1=CCCCC1 34a_100000212019_100009813279 [0,0,0,1,0,0|1,0,2]=4 7990 B14R1.422 CC(=O)OCNCCC1CCCCC1 34a_100000738074_100009813279 [0,0,0,1,0,0|1,0,0]=2 7991 B14R1.422 CC(=O)OCNCCC1CCCCO1 34a_100015183643_100009813279 [0,0,0,1,0,0|2,0,0]=3 7992 B14R1.422 CC(=O)OCNCCC1CCOCC1 34a_100000755988_100009813279 [0,0,0,1,0,0|2,0,0]=3 7993 B14R1.422 CC(=O)OCOCCC1CCCCC1 34a_100011217863_100009813279 [0,0,0,1,0,0|1,0,0]=2 7994 B14R1.422 CC(=O)OCOCCC1CCCCN1 34a_100000211664_100009813279 [0,0,0,1,0,0|2,0,0]=3 7995 B14R1.422 CC(=O)OCOCCC1CCCNC1 34a_100000752241_100009813279 [0,0,0,1,0,0|2,0,0]=3 7996 B14R1.422 CC(=O)OCOCCC1CCNCC1 34a_100015190746_100009813279 [0,0,0,1,0,0|2,0,0]=3 7997 B14R1.422 CC(=O)OCOCCC1CCOCC1 34a_100011933979_100009813279 [0,0,0,1,0,0|2,0,0]=3 7998 B14R1.422 CC(=O)OCOCCC1SCCCS1 34a_200011025297_100009813279 [0,0,0,1,0,0|3,0,0]=4 7999 B14R1.422 CC(=O)OCOCC[C@@H]1CNCCN1 34a_100016989929_100009813279 [0,0,0,1,0,0|3,0,0]=4 8000 B14R1.422 CC(=O)OCSCCC1CCCCC1 62a_100000076356_100012355289 [0,0,0,1,0,0|1,0,0]=2 8001 B14R1.422 CC(=O)OCSCCC1CCCCC1 62a_100012355289_100000076356 [0,0,0,1,0,0|1,0,0]=2 8002 B14R1.422 CC(=O)OCSCCC1CCOCC1 62a_100000076356_100011934994 [0,0,0,1,0,0|2,0,0]=3 8003 B14R1.422 CC(=O)OCSCCC1CCOCC1 62a_100011934994_100000076356 [0,0,0,1,0,0|2,0,0]=3 8004 B14R1.422 CC(=O)OCSCCC1OCCCO1 62a_100000076356_100000764188 [0,0,0,1,0,0|3,0,0]=4 8005 B14R1.422 CC(=O)OCSCCC1OCCCO1 62a_100000764188_100000076356 [0,0,0,1,0,0|3,0,0]=4 8006 B14R1.422 CC(=O)OCSCCN1CCCCC1 62a_100000076356_100000739454 [0,0,0,1,0,0|2,0,0]=3 8007 B14R1.422 CC(=O)OCSCCN1CCCCC1 62a_100000739454_100000076356 [0,0,0,1,0,0|2,0,0]=3 8008 B14R1.422 CC(=O)OCSCCN1CCOCC1 62a_100000076356_100000211760 [0,0,0,1,0,0|3,0,0]=4 8009 B14R1.422 CC(=O)OCSCOC1CCCCC1 62a_100000076356_100011935260 [0,0,0,1,0,0|2,0,0]=3 8010 B14R1.422 CC(=O)OCSCOC1CCCCC1 62a_100011935260_100000076356 [0,0,0,1,0,0|2,0,0]=3 8011 B14R1.422 CC(=O)SCCCCN1CCCOC1 2230a_100000131196_200010402107 [0,0,0,1,0,0|2,1,0]=4 8012 B14R1.422 CC(=O)SCCCCN1CCCOC1 269982a_100000131196_200010402107 [0,0,0,1,0,0|2,1,0]=4 8013 B14R1.422 CC(=O)SCCCCN1CCCOC1 34a_100000131196_200010402107 [0,0,0,1,0,0|2,1,0]=4 8014 B14R1.422 CC(=O)SCCCCN1CCOCC1 2230a_100015191051_200010402107 [0,0,0,1,0,0|2,1,0]=4 8015 B14R1.422 CC(=O)SCCCCN1CCOCC1 269982a_100015191051_200010402107 [0,0,0,1,0,0|2,1,0]=4 8016 B14R1.422 CC(=O)SCCCCN1CCOCC1 34a_100015191051_200010402107 [0,0,0,1,0,0|2,1,0]=4 8017 B14R1.422 CC(=O)SCCCCN1CCSCC1 2230a_100000737611_200010402107 [0,0,0,1,0,0|2,1,0]=4 8018 B14R1.422 CC(=O)SCCCCN1CCSCC1 269982a_100000737611_200010402107 [0,0,0,1,0,0|2,1,0]=4 8019 B14R1.422 CC(=O)SCCCNC1CCCCC1 2230a_100000182618_100000038929 [0,0,0,1,0,0|1,1,0]=3 8020 B14R1.422 CC(=O)SCCCNC1CCCCC1 34a_100000182618_100000038929 [0,0,0,1,0,0|1,1,0]=3 8021 B14R1.422 CC(=O)SCCCNC1CCCOC1 2230a_100000719290_100000038929 [0,0,0,1,0,0|2,1,0]=4 8022 B14R1.422 CC(=O)SCCCNC1CCCOC1 34a_100000719290_100000038929 [0,0,0,1,0,0|2,1,0]=4 8023 B14R1.422 CC(=O)SCCCNC1CCOCC1 2230a_100000741149_100000038929 [0,0,0,1,0,0|2,1,0]=4 8024 B14R1.422 CC(=O)SCCCNC1CCOCC1 34a_100000741149_100000038929 [0,0,0,1,0,0|2,1,0]=4 8025 B14R1.422 CC(=O)SCCCNC1CCSCC1 2230a_100000748639_100000038929 [0,0,0,1,0,0|2,1,0]=4 8026 B14R1.422 CC(=O)SCCCNC1CCSCC1 34a_100000748639_100000038929 [0,0,0,1,0,0|2,1,0]=4 8027 B14R1.422 CC(=O)SCCCOC1CCCCC1 34a_100000210231_100000038929 [0,0,0,1,0,0|1,1,0]=3 8028 B14R1.422 CC(=O)SCCCOC1CCCCC1 7a_100000210231_100000038929 [0,0,0,1,0,0|1,1,0]=3 8029 B14R1.422 CC(=O)SCCCOC1CCCCO1 34a_100000033831_100000038929 [0,0,0,1,0,0|2,1,0]=4 8030 B14R1.422 CC(=O)SCCCOC1CCCOC1 34a_100000754041_100000038929 [0,0,0,1,0,0|2,1,0]=4 8031 B14R1.422 CC(=O)SCCCOC1CCCSC1 7a_100015962668_100000038929 [0,0,0,1,0,0|2,1,0]=4 8032 B14R1.422 CC(=O)SCCCOC1CCOCC1 34a_100000744328_100000038929 [0,0,0,1,0,0|2,1,0]=4 8033 B14R1.422 CC(=O)SCCCOC1CCSCC1 34a_100000731022_100000038929 [0,0,0,1,0,0|2,1,0]=4 8034 B14R1.422 CC(=O)SCCCOC1CCSCC1 7a_100000731022_100000038929 [0,0,0,1,0,0|2,1,0]=4 8035 B14R1.422 CC(=O)SCCCSC1CCCCC1 62a_100000038929_100000210327 [0,0,0,1,0,0|1,1,0]=3 8036 B14R1.422 CC(=O)SCCCSC1CCCCC1 62a_100000210327_100000038929 [0,0,0,1,0,0|1,1,0]=3 8037 B14R1.422 CC(=O)SCCCSC1CCCOC1 62a_100000038929_100000693364 [0,0,0,1,0,0|2,1,0]=4 8038 B14R1.422 CC(=O)SCCCSC1CCOCC1 62a_100000038929_100011324220 [0,0,0,1,0,0|2,1,0]=4 8039 B14R1.422 CC(=O)SCCCSC1CCSCC1 62a_100000038929_100000069128 [0,0,0,1,0,0|2,1,0]=4 8040 B14R1.422 CC(=O)SCCNCC1CCCCC1 269862a_100020647217_100000211278 [0,0,0,1,0,0|1,1,0]=3 8041 B14R1.422 CC(=O)SCCNCC1CCOCC1 269862a_100020647217_100000749017 [0,0,0,1,0,0|2,1,0]=4 8042 B14R1.422 CC(=O)SCCNCC1CCSCC1 269862a_100020647217_100000067145 [0,0,0,1,0,0|2,1,0]=4 8043 B14R1.422 CC(=S)OCCCNC1CCCCC1 2230a_100000182618_200135323944 [0,0,0,1,0,0|1,1,0]=3 8044 B14R1.422 CC(=S)OCCCNC1CCCCC1 34a_100000182618_200135323944 [0,0,0,1,0,0|1,1,0]=3 8045 B14R1.422 CC(=S)OCCCNC1CCCOC1 2230a_100000719290_200135323944 [0,0,0,1,0,0|2,1,0]=4 8046 B14R1.422 CC(=S)OCCCNC1CCCOC1 34a_100000719290_200135323944 [0,0,0,1,0,0|2,1,0]=4 8047 B14R1.422 CC(=S)OCCCNC1CCOCC1 2230a_100000741149_200135323944 [0,0,0,1,0,0|2,1,0]=4 8048 B14R1.422 CC(=S)OCCCNC1CCOCC1 34a_100000741149_200135323944 [0,0,0,1,0,0|2,1,0]=4 8049 B14R1.422 CC(=S)OCCCNC1CCSCC1 2230a_100000748639_200135323944 [0,0,0,1,0,0|2,1,0]=4 8050 B14R1.422 CC(=S)OCCCNC1CCSCC1 34a_100000748639_200135323944 [0,0,0,1,0,0|2,1,0]=4 8051 B14R1.422 CC(=S)OCCCOC1CCCCC1 34a_100000210231_200135323944 [0,0,0,1,0,0|1,1,0]=3 8052 B14R1.422 CC(=S)OCCCOC1CCCCC1 7a_100000210231_200135323944 [0,0,0,1,0,0|1,1,0]=3 8053 B14R1.422 CC(=S)OCCCOC1CCCCO1 34a_100000033831_200135323944 [0,0,0,1,0,0|2,1,0]=4 8054 B14R1.422 CC(=S)OCCCOC1CCCOC1 34a_100000754041_200135323944 [0,0,0,1,0,0|2,1,0]=4 8055 B14R1.422 CC(=S)OCCCOC1CCCSC1 7a_100015962668_200135323944 [0,0,0,1,0,0|2,1,0]=4 8056 B14R1.422 CC(=S)OCCCOC1CCOCC1 34a_100000744328_200135323944 [0,0,0,1,0,0|2,1,0]=4 8057 B14R1.422 CC(=S)OCCCOC1CCSCC1 34a_100000731022_200135323944 [0,0,0,1,0,0|2,1,0]=4 8058 B14R1.422 CC(=S)OCCCOC1CCSCC1 7a_100000731022_200135323944 [0,0,0,1,0,0|2,1,0]=4 8059 B14R1.422 CC(=S)OCCCSC1CCCCC1 62a_100000210327_200135323944 [0,0,0,1,0,0|1,1,0]=3 8060 B14R1.422 CC(=S)OCCCSC1CCCCC1 62a_200135323944_100000210327 [0,0,0,1,0,0|1,1,0]=3 8061 B14R1.422 CC(=S)OCCCSC1CCCOC1 62a_200135323944_100000693364 [0,0,0,1,0,0|2,1,0]=4 8062 B14R1.422 CC(=S)OCCCSC1CCOCC1 62a_200135323944_100011324220 [0,0,0,1,0,0|2,1,0]=4 8063 B14R1.422 CC(=S)OCCCSC1CCSCC1 62a_200135323944_100000069128 [0,0,0,1,0,0|2,1,0]=4 8064 B14R1.422 CC(C)OCCCCC1CCCCC1 34a_100011215267_100000210206 [0,0,0,1,0,0|1,0,1]=3 8065 B14R1.422 CC(C)OCCCCC1CCCCC1 7a_100011215267_100000210206 [0,0,0,1,0,0|1,0,1]=3 8066 B14R1.422 CC(C)OCCCCC1CCNCC1 34a_100016989291_100000210206 [0,0,0,1,0,0|2,0,1]=4 8067 B14R1.422 CC(C)OCCCNC1CCCCC1 270004a_100000737246_100000210434 [0,0,0,1,0,0|2,0,1]=4 8068 B14R1.422 CC(C)OCCCNC1CCCCC1 34a_100000737246_100000210327 [0,0,0,1,0,0|2,0,1]=4 8069 B14R1.422 CC(C)OCCNCC1CCCCC1 2230a_100000210473_100000211751 [0,0,0,1,0,0|2,0,1]=4 8070 B14R1.422 CC(C)OCCNCC1CCCCC1 2230a_100000701111_100000211423 [0,0,0,1,0,0|2,0,1]=4 8071 B14R1.422 CC(C)OCCNCC1CCCCC1 269862a_100000701111_100000211278 [0,0,0,1,0,0|2,0,1]=4 8072 B14R1.422 CC(C)OCCNCC1CCCCC1 34a_100000210473_100000211751 [0,0,0,1,0,0|2,0,1]=4 8073 B14R1.422 CC(C)OCCNCC1CCCCC1 34a_100000701111_100000211423 [0,0,0,1,0,0|2,0,1]=4 8074 B14R1.422 CC(C)OCCOCC1CCCCC1 34a_100000211219_100000211423 [0,0,0,1,0,0|2,0,1]=4 8075 B14R1.422 CC(C)OCCOCC1CCCCC1 34a_100000212181_100000211751 [0,0,0,1,0,0|2,0,1]=4 8076 B14R1.422 CC(C)OCCOCC1CCCCC1 7a_100000211219_100000211423 [0,0,0,1,0,0|2,0,1]=4 8077 B14R1.422 CC(C)OCCOCC1CCCCC1 7a_100000212181_100000211751 [0,0,0,1,0,0|2,0,1]=4 8078 B14R1.422 CC(C)OCCSCC1CCCCC1 62a_100000211423_100000211751 [0,0,0,1,0,0|2,0,1]=4 8079 B14R1.422 CC(C)OCCSCC1CCCCC1 62a_100000211751_100000211423 [0,0,0,1,0,0|2,0,1]=4 8080 B14R1.422 CC(C)OCNCCC1CCCCC1 2230a_100000738074_100000709892 [0,0,0,1,0,0|2,0,1]=4 8081 B14R1.422 CC(C)OCNCCC1CCCCC1 34a_100000738074_100000709892 [0,0,0,1,0,0|2,0,1]=4 8082 B14R1.422 CC(C)OCOCCC1CCCCC1 34a_100011217863_100000709892 [0,0,0,1,0,0|2,0,1]=4 8083 B14R1.422 CC(C)OCSCCC1CCCCC1 62a_100000709892_100012355289 [0,0,0,1,0,0|2,0,1]=4 8084 B14R1.422 CC(C)OCSCCC1CCCCC1 62a_100012355289_100000709892 [0,0,0,1,0,0|2,0,1]=4 8085 B14R1.422 CS(=O)CCCNCC1CCCCC1 2230a_200000753449_100000211423 [0,0,0,1,0,0|3,0,0]=4 8086 B14R1.422 NC(=O)CCCCNC1CCCCC1 270004a_100000696515_100000210434 [0,0,0,1,0,0|3,0,0]=4 8087 B14R1.422 NC(=O)CCCCNC1CCCCC1 34a_100000696515_100000210327 [0,0,0,1,0,0|3,0,0]=4 8088 B14R1.422 NC(=O)CCCCOC1CCCCC1 34a_100012022536_100000210327 [0,0,0,1,0,0|3,0,0]=4 8089 B14R1.422 NC(=O)CCCCOC1CCCCC1 7a_100012022536_100000210327 [0,0,0,1,0,0|3,0,0]=4 8090 B14R1.422 NC(=O)CCCNCC1CCCCC1 269862a_100000739312_100000211278 [0,0,0,1,0,0|3,0,0]=4 8091 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000210473_100102525003 [0,0,0,1,0,0|3,0,0]=4 8092 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000739312_100000211423 [0,0,0,1,0,0|3,0,0]=4 8093 B14R1.422 NC(=O)CCCOCC1CCCCC1 34a_100000212181_100102525003 [0,0,0,1,0,0|3,0,0]=4 8094 B14R1.422 NC(=O)CCCOCC1CCCCC1 7a_100000212181_100102525003 [0,0,0,1,0,0|3,0,0]=4 8095 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100000211423_100102525003 [0,0,0,1,0,0|3,0,0]=4 8096 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100102525003_100000211423 [0,0,0,1,0,0|3,0,0]=4 8097 B14R1.422 NC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000744528 [0,0,0,1,0,0|3,0,0]=4 8098 B14R1.422 NC(=O)CCNCCC1CCCCC1 34a_100000738074_100000731001 [0,0,0,1,0,0|3,0,0]=4 8099 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100000757172_100011209188 [0,0,0,1,0,0|3,0,0]=4 8100 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100011217863_100000731001 [0,0,0,1,0,0|3,0,0]=4 8101 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100000757172_100011273959 [0,0,0,1,0,0|3,0,0]=4 8102 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100011217863_100000744528 [0,0,0,1,0,0|3,0,0]=4 8103 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100000744528_100012355289 [0,0,0,1,0,0|3,0,0]=4 8104 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100012355289_100000744528 [0,0,0,1,0,0|3,0,0]=4 8105 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100000711301_100011713725 [0,0,0,1,0,0|3,0,0]=4 8106 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747473 [0,0,0,1,0,0|3,0,0]=4 8107 B14R1.422 NC(=O)CNCCCC1CCCCC1 34a_100011211642_100000187820 [0,0,0,1,0,0|3,0,0]=4 8108 B14R1.422 NC(=O)COCCCC1CCCCC1 34a_100000198086_100000187820 [0,0,0,1,0,0|3,0,0]=4 8109 B14R1.422 NC(=O)COCCCC1CCCCC1 7a_100000198086_100000187820 [0,0,0,1,0,0|3,0,0]=4 8110 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100000747473_100011713725 [0,0,0,1,0,0|3,0,0]=4 8111 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747473 [0,0,0,1,0,0|3,0,0]=4 8112 B14R1.422 NC(=O)NCCNCC1CCCCC1 2230a_100000210473_200000034859 [0,0,0,1,0,0|3,0,0]=4 8113 B14R1.422 NC(=O)NCCNCC1CCCCC1 269862a_100020590234_100000211278 [0,0,0,1,0,0|3,0,0]=4 8114 B14R1.422 NC(=O)NCCNCC1CCCCC1 34a_100020590234_100000211423 [0,0,0,1,0,0|3,0,0]=4 8115 B14R1.422 NC(=O)NCCOCC1CCCCC1 34a_100000181757_100000211423 [0,0,0,1,0,0|3,0,0]=4 8116 B14R1.422 NC(=O)NCCOCC1CCCCC1 7a_100000212181_200000034859 [0,0,0,1,0,0|3,0,0]=4 8117 B14R1.422 NC(=O)NCCSCC1CCCCC1 62a_100000211423_200000034859 [0,0,0,1,0,0|3,0,0]=4 8118 B14R1.422 NC(=O)NCCSCC1CCCCC1 62a_200000034859_100000211423 [0,0,0,1,0,0|3,0,0]=4 8119 B14R1.422 NC(=O)OCCNCC1CCCCC1 34a_100000210473_200011214921 [0,0,0,1,0,0|2,0,0]=3 8120 B14R1.422 NC(=O)OCCNCC1CCCCO1 34a_100000174945_200011214921 [0,0,0,1,0,0|3,0,0]=4 8121 B14R1.422 NC(=O)OCCNCC1CCCOC1 34a_100000720124_200011214921 [0,0,0,1,0,0|3,0,0]=4 8122 B14R1.422 NC(=O)OCCNCC1CCOCC1 34a_100000746373_200011214921 [0,0,0,1,0,0|3,0,0]=4 8123 B14R1.422 NC(=O)OCCNCC1CCSCC1 34a_100015188806_200011214921 [0,0,0,1,0,0|3,0,0]=4 8124 B14R1.422 NC(=O)OCCOCC1CCCCC1 34a_100000212181_200011214921 [0,0,0,1,0,0|2,0,0]=3 8125 B14R1.422 NC(=O)OCCOCC1CCCCC1 7a_100000212181_200011214921 [0,0,0,1,0,0|2,0,0]=3 8126 B14R1.422 NC(=O)OCCOCC1CCCCC1 7a_100000766696_100000211423 [0,0,0,1,0,0|2,0,0]=3 8127 B14R1.422 NC(=O)OCCOCC1CCCCN1 34a_100000210821_200011214921 [0,0,0,1,0,0|3,0,0]=4 8128 B14R1.422 NC(=O)OCCOCC1CCCCO1 34a_100000211370_200011214921 [0,0,0,1,0,0|3,0,0]=4 8129 B14R1.422 NC(=O)OCCOCC1CCCCO1 7a_100000211370_200011214921 [0,0,0,1,0,0|3,0,0]=4 8130 B14R1.422 NC(=O)OCCOCC1CCCCO1 7a_100000766696_100000211543 [0,0,0,1,0,0|3,0,0]=4 8131 B14R1.422 NC(=O)OCCOCC1CCCNC1 34a_100000211344_200011214921 [0,0,0,1,0,0|3,0,0]=4 8132 B14R1.422 NC(=O)OCCOCC1CCCOC1 34a_100000741520_200011214921 [0,0,0,1,0,0|3,0,0]=4 8133 B14R1.422 NC(=O)OCCOCC1CCCOC1 7a_100000766696_100000741521 [0,0,0,1,0,0|3,0,0]=4 8134 B14R1.422 NC(=O)OCCOCC1CCNCC1 34a_100000738675_200011214921 [0,0,0,1,0,0|3,0,0]=4 8135 B14R1.422 NC(=O)OCCOCC1CCOCC1 34a_100000749013_200011214921 [0,0,0,1,0,0|3,0,0]=4 8136 B14R1.422 NC(=O)OCCOCC1CCOCC1 7a_100000766696_100000754603 [0,0,0,1,0,0|3,0,0]=4 8137 B14R1.422 NC(=O)OCCOCC1CCSCC1 34a_100000070558_200011214921 [0,0,0,1,0,0|3,0,0]=4 8138 B14R1.422 NC(=O)OCCOCC1CCSCC1 7a_100000070558_200011214921 [0,0,0,1,0,0|3,0,0]=4 8139 B14R1.422 NC(=O)OCCSCC1CCCCC1 62a_100000211423_200011214921 [0,0,0,1,0,0|2,0,0]=3 8140 B14R1.422 NC(=O)OCCSCC1CCCCC1 62a_200011214921_100000211423 [0,0,0,1,0,0|2,0,0]=3 8141 B14R1.422 NC(=O)OCCSCC1CCCCO1 62a_100000211543_200011214921 [0,0,0,1,0,0|3,0,0]=4 8142 B14R1.422 NC(=O)OCCSCC1CCCCO1 62a_200011214921_100000211543 [0,0,0,1,0,0|3,0,0]=4 8143 B14R1.422 NC(=O)OCCSCC1CCCOC1 62a_100000741521_200011214921 [0,0,0,1,0,0|3,0,0]=4 8144 B14R1.422 NC(=O)OCCSCC1CCCOC1 62a_200011214921_100000741521 [0,0,0,1,0,0|3,0,0]=4 8145 B14R1.422 NC(=O)OCCSCC1CCOCC1 62a_100000754603_200011214921 [0,0,0,1,0,0|3,0,0]=4 8146 B14R1.422 NC(=O)OCCSCC1CCOCC1 62a_200011214921_100000749018 [0,0,0,1,0,0|3,0,0]=4 8147 B14R1.422 O=C(O)CNCCCC1CCCCC1 269956a_100016091260_100011713725 [0,0,0,1,0,0|3,0,0]=4 8148 B14R1.422 O=C([O-])CNCCCC1CCCCC1 34a_100011211642_100020667443 [0,0,0,1,0,0|3,0,0]=4 8149 B14R1.422 O=C([O-])COCCCC1CCCCC1 34a_100000198086_100020667443 [0,0,0,1,0,0|3,0,0]=4 8150 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100011713725_100020667443 [0,0,0,1,0,0|3,0,0]=4 8151 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100020667443_100011713725 [0,0,0,1,0,0|3,0,0]=4 8152 B14R1.422 [13CH3]C(=O)CCCCCN1CCCCC1 1458a_100012051570_200025704644 [0,0,0,1,0,0|2,0,0]=3 8153 B14R1.422 [13CH3]C(=O)CCCCCN1CCOCC1 1458a_100012051560_200025704644 [0,0,0,1,0,0|3,0,0]=4 8154 B14R1.427 C=C(C)CCNCCCC1CCCC1 2230a_100000736752_100000730704 [0,0,0,1,0,0|3,0,0]=4 8155 B14R1.427 C=C(C)CCNCCCC1CCCC1 34a_100000736752_100000730704 [0,0,0,1,0,0|3,0,0]=4 8156 B14R1.427 C=C(C)CCOCCCC1CCCC1 34a_100000764851_100011713738 [0,0,0,1,0,0|3,0,0]=4 8157 B14R1.427 C=C(C)CCOCCCC1CCCC1 34a_100011215328_100000730704 [0,0,0,1,0,0|3,0,0]=4 8158 B14R1.427 C=C(C)CCOCCCC1CCCC1 7a_100011215328_100000730704 [0,0,0,1,0,0|3,0,0]=4 8159 B14R1.427 C=C(C)CCSCCCC1CCCC1 62a_100000730704_100011713738 [0,0,0,1,0,0|3,0,0]=4 8160 B14R1.427 C=C(C)CCSCCCC1CCCC1 62a_100011713738_100000730704 [0,0,0,1,0,0|3,0,0]=4 8161 B14R1.427 CC(=CCCNCCC1CCCC1)C 2230a_100000739158_100011217483 [0,0,0,1,0,0|3,0,0]=4 8162 B14R1.427 CC(=CCCNCCC1CCCC1)C 34a_100000739158_100011217483 [0,0,0,1,0,0|3,0,0]=4 8163 B14R1.427 CC(=CCCOCCC1CCCC1)C 34a_100000749090_100011217483 [0,0,0,1,0,0|3,0,0]=4 8164 B14R1.427 CC(=CCCOCCC1CCCC1)C 7a_100000749090_100011217483 [0,0,0,1,0,0|3,0,0]=4 8165 B14R1.427 CC(=CCCSCCC1CCCC1)C 62a_100000760354_100011217483 [0,0,0,1,0,0|3,0,0]=4 8166 B14R1.427 CC(=CCCSCCC1CCCC1)C 62a_100011217483_100000760354 [0,0,0,1,0,0|3,0,0]=4 8167 B14R1.427 CC(=CCNCCCC1CCCC1)C 2230a_100000736752_100000761012 [0,0,0,1,0,0|3,0,0]=4 8168 B14R1.427 CC(=CCNCCCC1CCCC1)C 34a_100000718196_100011713738 [0,0,0,1,0,0|3,0,0]=4 8169 B14R1.427 CC(=CCNCCCC1CCCC1)C 34a_100000736752_100000761012 [0,0,0,1,0,0|3,0,0]=4 8170 B14R1.427 CC(=CCOCCCC1CCCC1)C 34a_100000753907_100011713738 [0,0,0,1,0,0|3,0,0]=4 8171 B14R1.427 CC(=CCOCCCC1CCCC1)C 34a_100011215328_100000761012 [0,0,0,1,0,0|3,0,0]=4 8172 B14R1.427 CC(=CCOCCCC1CCCC1)C 7a_100011215328_100000761012 [0,0,0,1,0,0|3,0,0]=4 8173 B14R1.427 CC(=CCSCCCC1CCCC1)C 62a_100000761012_100011713738 [0,0,0,1,0,0|3,0,0]=4 8174 B14R1.427 CC(=CCSCCCC1CCCC1)C 62a_100011713738_100000761012 [0,0,0,1,0,0|3,0,0]=4 8175 B14R1.427 CC(=O)CCCCNCC1CCCC1 34a_100000737975_100009817362 [0,0,0,1,0,0|2,0,0]=3 8176 B14R1.427 CC(=O)CCCCNCC1CCOC1 34a_100000737293_100009817362 [0,0,0,1,0,0|3,0,0]=4 8177 B14R1.427 CC(=O)CCCCNC[C@@H]1CCCO1 34a_100020590478_100009817362 [0,0,0,1,0,0|3,0,0]=4 8178 B14R1.427 CC(=O)CCCCOCC1CCCC1 34a_100000742336_100009817362 [0,0,0,1,0,0|2,0,0]=3 8179 B14R1.427 CC(=O)CCCCOCC1CCCC1 7a_100000742336_100000735457 [0,0,0,1,0,0|2,0,0]=3 8180 B14R1.427 CC(=O)CCCCOCC1CCCO1 34a_100000210270_100009817362 [0,0,0,1,0,0|3,0,0]=4 8181 B14R1.427 CC(=O)CCCCOCC1CCCO1 7a_100000210270_100000735457 [0,0,0,1,0,0|3,0,0]=4 8182 B14R1.427 CC(=O)CCCCOCC1CCNC1 34a_100000748654_100009817362 [0,0,0,1,0,0|3,0,0]=4 8183 B14R1.427 CC(=O)CCCCOCC1CCOC1 34a_100000740260_100009817362 [0,0,0,1,0,0|3,0,0]=4 8184 B14R1.427 CC(=O)CCCCOC[C@H]1CCCN1 34a_100000745186_100009817362 [0,0,0,1,0,0|3,0,0]=4 8185 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000735457_100000740388 [0,0,0,1,0,0|2,0,0]=3 8186 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000740388_100000735457 [0,0,0,1,0,0|2,0,0]=3 8187 B14R1.427 CC(=O)CCCCSCC1CCCO1 62a_100000203698_100000735457 [0,0,0,1,0,0|3,0,0]=4 8188 B14R1.427 CC(=O)CCCCSCC1CCCO1 62a_100000735457_100000203698 [0,0,0,1,0,0|3,0,0]=4 8189 B14R1.427 CC(=O)CCCCSCC1CCOC1 62a_100000702531_100000735457 [0,0,0,1,0,0|3,0,0]=4 8190 B14R1.427 CC(=O)CCCCSCC1CCOC1 62a_100000735457_100000702531 [0,0,0,1,0,0|3,0,0]=4 8191 B14R1.427 CC(=O)CCCNCCC1CCCC1 34a_100000739158_100000685027 [0,0,0,1,0,0|2,0,0]=3 8192 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000749090_100000685027 [0,0,0,1,0,0|2,0,0]=3 8193 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000759063_100000760354 [0,0,0,1,0,0|2,0,0]=3 8194 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000749090_100011215641 [0,0,0,1,0,0|2,0,0]=3 8195 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000759063_100000760354 [0,0,0,1,0,0|2,0,0]=3 8196 B14R1.427 CC(=O)CCCOCCC1CCNC1 34a_100016987287_100000685027 [0,0,0,1,0,0|3,0,0]=4 8197 B14R1.427 CC(=O)CCCOCCC1CCOC1 34a_100011879284_100000685027 [0,0,0,1,0,0|3,0,0]=4 8198 B14R1.427 CC(=O)CCCOCCN1CCCC1 7a_100000759063_100000004467 [0,0,0,1,0,0|3,0,0]=4 8199 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100000760354_100011215641 [0,0,0,1,0,0|2,0,0]=3 8200 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100011215641_100000760354 [0,0,0,1,0,0|2,0,0]=3 8201 B14R1.427 CC(=O)CCCSCCN1CCCC1 62a_100000700749_100011215641 [0,0,0,1,0,0|3,0,0]=4 8202 B14R1.427 CC(=O)CCCSCCN1CCCC1 62a_100011215641_100000004467 [0,0,0,1,0,0|3,0,0]=4 8203 B14R1.427 CC(=O)CCOCCCC1CCCC1 34a_100000759926_100011713738 [0,0,0,1,0,0|2,0,0]=3 8204 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100000759926_100011713738 [0,0,0,1,0,0|2,0,0]=3 8205 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100011215328_100000053229 [0,0,0,1,0,0|2,0,0]=3 8206 B14R1.427 CC(=O)CCOCCCN1CCCC1 34a_100000759926_100016991639 [0,0,0,1,0,0|3,0,0]=4 8207 B14R1.427 CC(=O)CCOCCCN1CCCC1 7a_100000759926_100011445909 [0,0,0,1,0,0|3,0,0]=4 8208 B14R1.427 CC(=O)CCOCCOC1CCCC1 7a_100000738311_100000053229 [0,0,0,1,0,0|3,0,0]=4 8209 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100000053229_100011713738 [0,0,0,1,0,0|2,0,0]=3 8210 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100011713738_100000053229 [0,0,0,1,0,0|2,0,0]=3 8211 B14R1.427 CC(=O)CCSCCCN1CCCC1 62a_100000053229_100011445909 [0,0,0,1,0,0|3,0,0]=4 8212 B14R1.427 CC(=O)CCSCCCN1CCCC1 62a_100016991639_100000053229 [0,0,0,1,0,0|3,0,0]=4 8213 B14R1.427 CC(=O)NCCCCCN1CCCC1 1626a_100011491779_100015343762 [0,0,0,1,0,0|2,0,0]=3 8214 B14R1.427 CC(=O)NCCCCCN1CCCC1 240690a_100011491779_100015343762 [0,0,0,1,0,0|2,0,0]=3 8215 B14R1.427 CC(=O)NCCCCNC1CCCC1 2230a_200011368371_100000179811 [0,0,0,1,0,0|2,0,0]=3 8216 B14R1.427 CC(=O)NCCCCNC1CCCC1 270004a_200011368371_100000210133 [0,0,0,1,0,0|2,0,0]=3 8217 B14R1.427 CC(=O)NCCCCNC1CCCC1 34a_200011368371_100000179811 [0,0,0,1,0,0|2,0,0]=3 8218 B14R1.427 CC(=O)NCCCCNC1CCOC1 2230a_200011368371_100000731011 [0,0,0,1,0,0|3,0,0]=4 8219 B14R1.427 CC(=O)NCCCCNC1CCOC1 270004a_200011368371_100000752484 [0,0,0,1,0,0|3,0,0]=4 8220 B14R1.427 CC(=O)NCCCCNC1CCOC1 34a_200011368371_100000690089 [0,0,0,1,0,0|3,0,0]=4 8221 B14R1.427 CC(=O)NCCCCNC1CCSC1 270004a_200011368371_100000212027 [0,0,0,1,0,0|3,0,0]=4 8222 B14R1.427 CC(=O)NCCCNCC1CCCC1 269862a_100000736810_100000746403 [0,0,0,1,0,0|2,0,0]=3 8223 B14R1.427 CC(=O)NCCCNCC1CCCC1 34a_100000736810_100000740388 [0,0,0,1,0,0|2,0,0]=3 8224 B14R1.427 CC(=O)NCCCNCC1CCOC1 34a_100000736810_100011261433 [0,0,0,1,0,0|3,0,0]=4 8225 B14R1.427 CC(=O)NCCCOCC1CCCC1 34a_100000752032_100000740388 [0,0,0,1,0,0|2,0,0]=3 8226 B14R1.427 CC(=O)NCCCOCC1CCOC1 34a_100000752032_100011261433 [0,0,0,1,0,0|3,0,0]=4 8227 B14R1.427 CC(=O)NCCNCCC1CCCC1 2230a_100000209853_100000760354 [0,0,0,1,0,0|2,0,0]=3 8228 B14R1.427 CC(=O)NCCNCCC1CCCC1 2230a_100000739158_100000189650 [0,0,0,1,0,0|2,0,0]=3 8229 B14R1.427 CC(=O)NCCOCCC1CCCC1 34a_100000158858_100000760354 [0,0,0,1,0,0|2,0,0]=3 8230 B14R1.427 CC(=O)NCCOCCC1CCCC1 7a_100000749090_100000189650 [0,0,0,1,0,0|2,0,0]=3 8231 B14R1.427 CC(=O)NCCOCCN1CCCC1 1626a_100011651305_100015343762 [0,0,0,1,0,0|3,0,0]=4 8232 B14R1.427 CC(=O)NCCOCCN1CCCC1 240690a_100011651305_100015343762 [0,0,0,1,0,0|3,0,0]=4 8233 B14R1.427 CC(=O)NCCSCCC1CCCC1 62a_100000189650_100000760354 [0,0,0,1,0,0|2,0,0]=3 8234 B14R1.427 CC(=O)NCCSCCC1CCCC1 62a_100000760354_100000189650 [0,0,0,1,0,0|2,0,0]=3 8235 B14R1.427 CC(=O)NCCSCCN1CCCC1 62a_100000189650_100000004467 [0,0,0,1,0,0|3,0,0]=4 8236 B14R1.427 CC(=O)NCCSCCN1CCCC1 62a_100000700749_100000189650 [0,0,0,1,0,0|3,0,0]=4 8237 B14R1.427 CC(=O)OCCCCCN1CC=CC1 269982a_100015195280_100000033007 [0,0,0,1,0,0|1,0,2]=4 8238 B14R1.427 CC(=O)OCCCCCN1CCCC1 2230a_100000188435_100009813381 [0,0,0,1,0,0|1,0,0]=2 8239 B14R1.427 CC(=O)OCCCCCN1CCCC1 269982a_100000188435_100000033007 [0,0,0,1,0,0|1,0,0]=2 8240 B14R1.427 CC(=O)OCCCCCN1CCSC1 2230a_100011215254_100009813381 [0,0,0,1,0,0|2,0,0]=3 8241 B14R1.427 CC(=O)OCCCCCN1CCSC1 269982a_100011215254_100000033007 [0,0,0,1,0,0|2,0,0]=3 8242 B14R1.427 CC(=O)OCCCCNC1CCCC1 34a_100000211070_100000033659 [0,0,0,1,0,0|1,0,0]=2 8243 B14R1.427 CC(=O)OCCCCN[C@H]1CCOC1 34a_100015188467_100000033659 [0,0,0,1,0,0|2,0,0]=3 8244 B14R1.427 CC(=O)OCCCCOC1CCCC1 34a_100000073216_100000179811 [0,0,0,1,0,0|1,0,0]=2 8245 B14R1.427 CC(=O)OCCCCOC1CCCC1 34a_100000210269_100000033659 [0,0,0,1,0,0|1,0,0]=2 8246 B14R1.427 CC(=O)OCCCCOC1CCCC1 7a_100000073216_100000179811 [0,0,0,1,0,0|1,0,0]=2 8247 B14R1.427 CC(=O)OCCCCOC1CCCC1 7a_100000210269_100000033659 [0,0,0,1,0,0|1,0,0]=2 8248 B14R1.427 CC(=O)OCCCCOC1CCCO1 34a_100000085407_100000033659 [0,0,0,1,0,0|2,0,0]=3 8249 B14R1.427 CC(=O)OCCCCOC1CCOC1 34a_100000073216_100000690089 [0,0,0,1,0,0|2,0,0]=3 8250 B14R1.427 CC(=O)OCCCCOC1CCOC1 7a_100000073216_100000731011 [0,0,0,1,0,0|2,0,0]=3 8251 B14R1.427 CC(=O)OCCCCOC1CCSC1 7a_100011232664_100000033659 [0,0,0,1,0,0|2,0,0]=3 8252 B14R1.427 CC(=O)OCCCCO[C@H]1CCOC1 34a_100000717292_100000033659 [0,0,0,1,0,0|2,0,0]=3 8253 B14R1.427 CC(=O)OCCCCSC1CCCC1 62a_100000033659_100000179811 [0,0,0,1,0,0|1,0,0]=2 8254 B14R1.427 CC(=O)OCCCCSC1CCCC1 62a_100011217020_100000033659 [0,0,0,1,0,0|1,0,0]=2 8255 B14R1.427 CC(=O)OCCCCSC1CCOC1 62a_100000033659_100000690089 [0,0,0,1,0,0|2,0,0]=3 8256 B14R1.427 CC(=O)OCCCNCC1CCCC1 34a_100000737975_100000042594 [0,0,0,1,0,0|1,0,0]=2 8257 B14R1.427 CC(=O)OCCCNCC1CCOC1 34a_100000737293_100000042594 [0,0,0,1,0,0|2,0,0]=3 8258 B14R1.427 CC(=O)OCCCNCC1OCCO1 34a_100000036311_100000042594 [0,0,0,1,0,0|3,0,0]=4 8259 B14R1.427 CC(=O)OCCCNC[C@@H]1CCCO1 34a_100020590478_100000042594 [0,0,0,1,0,0|2,0,0]=3 8260 B14R1.427 CC(=O)OCCCOCC1CC=CC1 34a_100000688395_100000042594 [0,0,0,1,0,0|1,0,2]=4 8261 B14R1.427 CC(=O)OCCCOCC1CCCC1 34a_100000742336_100000042594 [0,0,0,1,0,0|1,0,0]=2 8262 B14R1.427 CC(=O)OCCCOCC1CCCC1 7a_100000742336_100000042594 [0,0,0,1,0,0|1,0,0]=2 8263 B14R1.427 CC(=O)OCCCOCC1CCCO1 34a_100000210270_100000042594 [0,0,0,1,0,0|2,0,0]=3 8264 B14R1.427 CC(=O)OCCCOCC1CCCO1 7a_100000210270_100000042594 [0,0,0,1,0,0|2,0,0]=3 8265 B14R1.427 CC(=O)OCCCOCC1CCNC1 34a_100000748654_100000042594 [0,0,0,1,0,0|2,0,0]=3 8266 B14R1.427 CC(=O)OCCCOCC1CCOC1 34a_100000740260_100000042594 [0,0,0,1,0,0|2,0,0]=3 8267 B14R1.427 CC(=O)OCCCOCC1COCO1 34a_100011216627_100000042594 [0,0,0,1,0,0|3,0,0]=4 8268 B14R1.427 CC(=O)OCCCOCC1OCCO1 34a_100000087154_100000042594 [0,0,0,1,0,0|3,0,0]=4 8269 B14R1.427 CC(=O)OCCCOC[C@H]1CCCN1 34a_100000745186_100000042594 [0,0,0,1,0,0|2,0,0]=3 8270 B14R1.427 CC(=O)OCCCSCC1CCCC1 62a_100000042594_100000740388 [0,0,0,1,0,0|1,0,0]=2 8271 B14R1.427 CC(=O)OCCCSCC1CCCC1 62a_100000740388_100000042594 [0,0,0,1,0,0|1,0,0]=2 8272 B14R1.427 CC(=O)OCCCSCC1CCCO1 62a_100000042594_100000203698 [0,0,0,1,0,0|2,0,0]=3 8273 B14R1.427 CC(=O)OCCCSCC1CCCO1 62a_100000203698_100000042594 [0,0,0,1,0,0|2,0,0]=3 8274 B14R1.427 CC(=O)OCCCSCC1CCOC1 62a_100000042594_100000702531 [0,0,0,1,0,0|2,0,0]=3 8275 B14R1.427 CC(=O)OCCCSCC1CCOC1 62a_100000702531_100000042594 [0,0,0,1,0,0|2,0,0]=3 8276 B14R1.427 CC(=O)OCCCSCC1OCCO1 62a_100000042594_100000755774 [0,0,0,1,0,0|3,0,0]=4 8277 B14R1.427 CC(=O)OCCCSCC1OCCO1 62a_100000755774_100000042594 [0,0,0,1,0,0|3,0,0]=4 8278 B14R1.427 CC(=O)OCCNCCC1CCCC1 34a_100000739158_100009814007 [0,0,0,1,0,0|1,0,0]=2 8279 B14R1.427 CC(=O)OCCNCCC1OCCO1 34a_100000034215_100009814007 [0,0,0,1,0,0|3,0,0]=4 8280 B14R1.427 CC(=O)OCCOCCC1CCCC1 34a_100000749090_100009814007 [0,0,0,1,0,0|1,0,0]=2 8281 B14R1.427 CC(=O)OCCOCCC1CCCC1 7a_100000749090_100009814007 [0,0,0,1,0,0|1,0,0]=2 8282 B14R1.427 CC(=O)OCCOCCC1CCNC1 34a_100016987287_100009814007 [0,0,0,1,0,0|2,0,0]=3 8283 B14R1.427 CC(=O)OCCOCCC1CCOC1 34a_100011879284_100009814007 [0,0,0,1,0,0|2,0,0]=3 8284 B14R1.427 CC(=O)OCCOCCN1CCCC1 2230a_100000188435_200000083610 [0,0,0,1,0,0|2,0,0]=3 8285 B14R1.427 CC(=O)OCCOCCN1CCCC1 269982a_100000188435_200000083610 [0,0,0,1,0,0|2,0,0]=3 8286 B14R1.427 CC(=O)OCCOCCN1CCSC1 2230a_100011215254_200000083610 [0,0,0,1,0,0|3,0,0]=4 8287 B14R1.427 CC(=O)OCCOCCN1CCSC1 269982a_100011215254_200000083610 [0,0,0,1,0,0|3,0,0]=4 8288 B14R1.427 CC(=O)OCCOCNC1CCCC1 34a_100000211070_100000076355 [0,0,0,1,0,0|2,0,0]=3 8289 B14R1.427 CC(=O)OCCOCN[C@H]1CCOC1 34a_100015188467_100000076355 [0,0,0,1,0,0|3,0,0]=4 8290 B14R1.427 CC(=O)OCCOCOC1CCCC1 34a_100000210269_100000076355 [0,0,0,1,0,0|2,0,0]=3 8291 B14R1.427 CC(=O)OCCOCOC1CCCO1 34a_100000085407_100000076355 [0,0,0,1,0,0|3,0,0]=4 8292 B14R1.427 CC(=O)OCCOCO[C@H]1CCOC1 34a_100000717292_100000076355 [0,0,0,1,0,0|3,0,0]=4 8293 B14R1.427 CC(=O)OCCOCSC1CCCC1 62a_100000076355_100000179811 [0,0,0,1,0,0|2,0,0]=3 8294 B14R1.427 CC(=O)OCCOCSC1CCCC1 62a_100011217020_100000076355 [0,0,0,1,0,0|2,0,0]=3 8295 B14R1.427 CC(=O)OCCOCSC1CCOC1 62a_100000076355_100000690089 [0,0,0,1,0,0|3,0,0]=4 8296 B14R1.427 CC(=O)OCCSCCC1CCCC1 62a_100000760354_100009814007 [0,0,0,1,0,0|1,0,0]=2 8297 B14R1.427 CC(=O)OCCSCCC1CCCC1 62a_100009814007_100000760354 [0,0,0,1,0,0|1,0,0]=2 8298 B14R1.427 CC(=O)OCCSCCC1OCCO1 62a_100009814007_100000740749 [0,0,0,1,0,0|3,0,0]=4 8299 B14R1.427 CC(=O)OCCSCCN1CCCC1 62a_100000700749_100009814007 [0,0,0,1,0,0|2,0,0]=3 8300 B14R1.427 CC(=O)OCCSCCN1CCCC1 62a_100009814007_100000004467 [0,0,0,1,0,0|2,0,0]=3 8301 B14R1.427 CC(=O)OCNCCCC1CCCC1 34a_100000736752_100009813279 [0,0,0,1,0,0|1,0,0]=2 8302 B14R1.427 CC(=O)OCNCCOC1CCCC1 34a_100000741755_100009813279 [0,0,0,1,0,0|2,0,0]=3 8303 B14R1.427 CC(=O)OCOCCCC1CCCC1 34a_100011215328_100009813279 [0,0,0,1,0,0|1,0,0]=2 8304 B14R1.427 CC(=O)OCOCCCC1OCCO1 34a_100009871617_100009813279 [0,0,0,1,0,0|3,0,0]=4 8305 B14R1.427 CC(=O)OCOCCNC1CCCC1 34a_200000200444_100009813279 [0,0,0,1,0,0|2,0,0]=3 8306 B14R1.427 CC(=O)OCOCCOC1CCCC1 34a_100000738311_100009813279 [0,0,0,1,0,0|2,0,0]=3 8307 B14R1.427 CC(=O)OCSCCCC1CCCC1 62a_100000076356_100011713738 [0,0,0,1,0,0|1,0,0]=2 8308 B14R1.427 CC(=O)OCSCCCC1CCCC1 62a_100011713738_100000076356 [0,0,0,1,0,0|1,0,0]=2 8309 B14R1.427 CC(=O)OCSCCCC1OCCO1 62a_100000076356_100000042513 [0,0,0,1,0,0|3,0,0]=4 8310 B14R1.427 CC(=O)OCSCCCN1CCCC1 62a_100000076356_100011445909 [0,0,0,1,0,0|2,0,0]=3 8311 B14R1.427 CC(=O)OCSCCCN1CCCC1 62a_100016991639_100000076356 [0,0,0,1,0,0|2,0,0]=3 8312 B14R1.427 CC(=O)SCCCCNC1CCCC1 2230a_100000211070_200010402107 [0,0,0,1,0,0|1,1,0]=3 8313 B14R1.427 CC(=O)SCCCCNC1CCCC1 34a_100000211070_200010402107 [0,0,0,1,0,0|1,1,0]=3 8314 B14R1.427 CC(=O)SCCCCN[C@@H]1CCOC1 2230a_200015188469_200010402107 [0,0,0,1,0,0|2,1,0]=4 8315 B14R1.427 CC(=O)SCCCCN[C@H]1CCOC1 2230a_100015188467_200010402107 [0,0,0,1,0,0|2,1,0]=4 8316 B14R1.427 CC(=O)SCCCCN[C@H]1CCOC1 34a_100015188467_200010402107 [0,0,0,1,0,0|2,1,0]=4 8317 B14R1.427 CC(=O)SCCCCOC1CCCC1 34a_100000210269_200010402107 [0,0,0,1,0,0|1,1,0]=3 8318 B14R1.427 CC(=O)SCCCCOC1CCCC1 7a_100000210269_200010402107 [0,0,0,1,0,0|1,1,0]=3 8319 B14R1.427 CC(=O)SCCCCOC1CCCO1 34a_100000085407_200010402107 [0,0,0,1,0,0|2,1,0]=4 8320 B14R1.427 CC(=O)SCCCCOC1CCSC1 7a_100011232664_200010402107 [0,0,0,1,0,0|2,1,0]=4 8321 B14R1.427 CC(=O)SCCCCO[C@H]1CCOC1 34a_100000717292_200010402107 [0,0,0,1,0,0|2,1,0]=4 8322 B14R1.427 CC(=O)SCCCCSC1CCCC1 62a_100011217020_200010402107 [0,0,0,1,0,0|1,1,0]=3 8323 B14R1.427 CC(=O)SCCCCSC1CCCC1 62a_200010402107_100000179811 [0,0,0,1,0,0|1,1,0]=3 8324 B14R1.427 CC(=O)SCCCCSC1CCOC1 62a_200010402107_100000690089 [0,0,0,1,0,0|2,1,0]=4 8325 B14R1.427 CC(=O)SCCCNCC1CCCC1 2230a_100000737975_100000038929 [0,0,0,1,0,0|1,1,0]=3 8326 B14R1.427 CC(=O)SCCCNCC1CCCC1 34a_100000737975_100000038929 [0,0,0,1,0,0|1,1,0]=3 8327 B14R1.427 CC(=O)SCCCNCC1CCOC1 2230a_100000737293_100000038929 [0,0,0,1,0,0|2,1,0]=4 8328 B14R1.427 CC(=O)SCCCNCC1CCOC1 34a_100000737293_100000038929 [0,0,0,1,0,0|2,1,0]=4 8329 B14R1.427 CC(=O)SCCCNC[C@@H]1CCCO1 2230a_100020590478_100000038929 [0,0,0,1,0,0|2,1,0]=4 8330 B14R1.427 CC(=O)SCCCNC[C@@H]1CCCO1 34a_100020590478_100000038929 [0,0,0,1,0,0|2,1,0]=4 8331 B14R1.427 CC(=O)SCCCOCC1CCCC1 34a_100000742336_100000038929 [0,0,0,1,0,0|1,1,0]=3 8332 B14R1.427 CC(=O)SCCCOCC1CCCC1 7a_100000742336_100000038929 [0,0,0,1,0,0|1,1,0]=3 8333 B14R1.427 CC(=O)SCCCOCC1CCCO1 34a_100000210270_100000038929 [0,0,0,1,0,0|2,1,0]=4 8334 B14R1.427 CC(=O)SCCCOCC1CCCO1 7a_100000210270_100000038929 [0,0,0,1,0,0|2,1,0]=4 8335 B14R1.427 CC(=O)SCCCOCC1CCNC1 34a_100000748654_100000038929 [0,0,0,1,0,0|2,1,0]=4 8336 B14R1.427 CC(=O)SCCCOCC1CCOC1 34a_100000740260_100000038929 [0,0,0,1,0,0|2,1,0]=4 8337 B14R1.427 CC(=O)SCCCOC[C@H]1CCCN1 34a_100000745186_100000038929 [0,0,0,1,0,0|2,1,0]=4 8338 B14R1.427 CC(=O)SCCCSCC1CCCC1 62a_100000038929_100000740388 [0,0,0,1,0,0|1,1,0]=3 8339 B14R1.427 CC(=O)SCCCSCC1CCCC1 62a_100000740388_100000038929 [0,0,0,1,0,0|1,1,0]=3 8340 B14R1.427 CC(=O)SCCCSCC1CCCO1 62a_100000038929_100000203698 [0,0,0,1,0,0|2,1,0]=4 8341 B14R1.427 CC(=O)SCCCSCC1CCCO1 62a_100000203698_100000038929 [0,0,0,1,0,0|2,1,0]=4 8342 B14R1.427 CC(=O)SCCCSCC1CCOC1 62a_100000038929_100000702531 [0,0,0,1,0,0|2,1,0]=4 8343 B14R1.427 CC(=O)SCCCSCC1CCOC1 62a_100000702531_100000038929 [0,0,0,1,0,0|2,1,0]=4 8344 B14R1.427 CC(=S)OCCCNCC1CCCC1 2230a_100000737975_200135323944 [0,0,0,1,0,0|1,1,0]=3 8345 B14R1.427 CC(=S)OCCCNCC1CCCC1 34a_100000737975_200135323944 [0,0,0,1,0,0|1,1,0]=3 8346 B14R1.427 CC(=S)OCCCNCC1CCOC1 2230a_100000737293_200135323944 [0,0,0,1,0,0|2,1,0]=4 8347 B14R1.427 CC(=S)OCCCNCC1CCOC1 34a_100000737293_200135323944 [0,0,0,1,0,0|2,1,0]=4 8348 B14R1.427 CC(=S)OCCCNC[C@@H]1CCCO1 2230a_100020590478_200135323944 [0,0,0,1,0,0|2,1,0]=4 8349 B14R1.427 CC(=S)OCCCNC[C@@H]1CCCO1 34a_100020590478_200135323944 [0,0,0,1,0,0|2,1,0]=4 8350 B14R1.427 CC(=S)OCCCOCC1CCCC1 34a_100000742336_200135323944 [0,0,0,1,0,0|1,1,0]=3 8351 B14R1.427 CC(=S)OCCCOCC1CCCC1 7a_100000742336_200135323944 [0,0,0,1,0,0|1,1,0]=3 8352 B14R1.427 CC(=S)OCCCOCC1CCCO1 34a_100000210270_200135323944 [0,0,0,1,0,0|2,1,0]=4 8353 B14R1.427 CC(=S)OCCCOCC1CCCO1 7a_100000210270_200135323944 [0,0,0,1,0,0|2,1,0]=4 8354 B14R1.427 CC(=S)OCCCOCC1CCNC1 34a_100000748654_200135323944 [0,0,0,1,0,0|2,1,0]=4 8355 B14R1.427 CC(=S)OCCCOCC1CCOC1 34a_100000740260_200135323944 [0,0,0,1,0,0|2,1,0]=4 8356 B14R1.427 CC(=S)OCCCOC[C@H]1CCCN1 34a_100000745186_200135323944 [0,0,0,1,0,0|2,1,0]=4 8357 B14R1.427 CC(=S)OCCCSCC1CCCC1 62a_100000740388_200135323944 [0,0,0,1,0,0|1,1,0]=3 8358 B14R1.427 CC(=S)OCCCSCC1CCCC1 62a_200135323944_100000740388 [0,0,0,1,0,0|1,1,0]=3 8359 B14R1.427 CC(=S)OCCCSCC1CCCO1 62a_100000203698_200135323944 [0,0,0,1,0,0|2,1,0]=4 8360 B14R1.427 CC(=S)OCCCSCC1CCCO1 62a_200135323944_100000203698 [0,0,0,1,0,0|2,1,0]=4 8361 B14R1.427 CC(=S)OCCCSCC1CCOC1 62a_100000702531_200135323944 [0,0,0,1,0,0|2,1,0]=4 8362 B14R1.427 CC(=S)OCCCSCC1CCOC1 62a_200135323944_100000702531 [0,0,0,1,0,0|2,1,0]=4 8363 B14R1.427 CC(C)OCCCNCC1CCCC1 2230a_100000737246_100000740388 [0,0,0,1,0,0|2,0,1]=4 8364 B14R1.427 CC(C)OCCCNCC1CCCC1 269862a_100000737246_100000746403 [0,0,0,1,0,0|2,0,1]=4 8365 B14R1.427 CC(C)OCCCNCC1CCCC1 34a_100000737246_100000740388 [0,0,0,1,0,0|2,0,1]=4 8366 B14R1.427 CC(C)OCCNCCC1CCCC1 2230a_100000701111_100000760354 [0,0,0,1,0,0|2,0,1]=4 8367 B14R1.427 CC(C)OCCNCCC1CCCC1 2230a_100000739158_100000211751 [0,0,0,1,0,0|2,0,1]=4 8368 B14R1.427 CC(C)OCCNCCC1CCCC1 34a_100000701111_100000760354 [0,0,0,1,0,0|2,0,1]=4 8369 B14R1.427 CC(C)OCCNCCC1CCCC1 34a_100000739158_100000211751 [0,0,0,1,0,0|2,0,1]=4 8370 B14R1.427 CC(C)OCCOCCC1CCCC1 34a_100000211219_100000760354 [0,0,0,1,0,0|2,0,1]=4 8371 B14R1.427 CC(C)OCCOCCC1CCCC1 34a_100000749090_100000211751 [0,0,0,1,0,0|2,0,1]=4 8372 B14R1.427 CC(C)OCCOCCC1CCCC1 7a_100000211219_100000760354 [0,0,0,1,0,0|2,0,1]=4 8373 B14R1.427 CC(C)OCCOCCC1CCCC1 7a_100000749090_100000211751 [0,0,0,1,0,0|2,0,1]=4 8374 B14R1.427 CC(C)OCCSCCC1CCCC1 62a_100000211751_100000760354 [0,0,0,1,0,0|2,0,1]=4 8375 B14R1.427 CC(C)OCCSCCC1CCCC1 62a_100000760354_100000211751 [0,0,0,1,0,0|2,0,1]=4 8376 B14R1.427 CC(C)OCNCCCC1CCCC1 2230a_100000736752_100000709892 [0,0,0,1,0,0|2,0,1]=4 8377 B14R1.427 CC(C)OCNCCCC1CCCC1 34a_100000736752_100000709892 [0,0,0,1,0,0|2,0,1]=4 8378 B14R1.427 CC(C)OCOCCCC1CCCC1 34a_100011215328_100000709892 [0,0,0,1,0,0|2,0,1]=4 8379 B14R1.427 CC(C)OCSCCCC1CCCC1 62a_100000709892_100011713738 [0,0,0,1,0,0|2,0,1]=4 8380 B14R1.427 CC(C)OCSCCCC1CCCC1 62a_100011713738_100000709892 [0,0,0,1,0,0|2,0,1]=4 8381 B14R1.427 CS(=O)CCCNCCC1CCCC1 2230a_200000753449_100000760354 [0,0,0,1,0,0|3,0,0]=4 8382 B14R1.427 NC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009817443 [0,0,0,1,0,0|3,0,0]=4 8383 B14R1.427 NC(=O)CCCCCNC1CCCC1 34a_100000211070_100009817443 [0,0,0,1,0,0|3,0,0]=4 8384 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000123541_100000179811 [0,0,0,1,0,0|3,0,0]=4 8385 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000210269_100009817443 [0,0,0,1,0,0|3,0,0]=4 8386 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000123541_100000179811 [0,0,0,1,0,0|3,0,0]=4 8387 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000210269_100009817443 [0,0,0,1,0,0|3,0,0]=4 8388 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100009817443_100000179811 [0,0,0,1,0,0|3,0,0]=4 8389 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100011217020_100009817443 [0,0,0,1,0,0|3,0,0]=4 8390 B14R1.427 NC(=O)CCCCNCC1CCCC1 269862a_100000696515_100000746403 [0,0,0,1,0,0|3,0,0]=4 8391 B14R1.427 NC(=O)CCCCNCC1CCCC1 34a_100000696515_100000740388 [0,0,0,1,0,0|3,0,0]=4 8392 B14R1.427 NC(=O)CCCCOCC1CCCC1 34a_100012022536_100000740388 [0,0,0,1,0,0|3,0,0]=4 8393 B14R1.427 NC(=O)CCCCOCC1CCCC1 7a_100012022536_100000740388 [0,0,0,1,0,0|3,0,0]=4 8394 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739158_100102525003 [0,0,0,1,0,0|3,0,0]=4 8395 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739312_100000760354 [0,0,0,1,0,0|3,0,0]=4 8396 B14R1.427 NC(=O)CCCOCCC1CCCC1 34a_100000749090_100102525003 [0,0,0,1,0,0|3,0,0]=4 8397 B14R1.427 NC(=O)CCCOCCC1CCCC1 7a_100000749090_100102525003 [0,0,0,1,0,0|3,0,0]=4 8398 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100000760354_100102525003 [0,0,0,1,0,0|3,0,0]=4 8399 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100102525003_100000760354 [0,0,0,1,0,0|3,0,0]=4 8400 B14R1.427 NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000744528 [0,0,0,1,0,0|3,0,0]=4 8401 B14R1.427 NC(=O)CCNCCCC1CCCC1 34a_100000736752_100000731001 [0,0,0,1,0,0|3,0,0]=4 8402 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100000757172_100011713738 [0,0,0,1,0,0|3,0,0]=4 8403 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100011215328_100000731001 [0,0,0,1,0,0|3,0,0]=4 8404 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100000757172_100011713738 [0,0,0,1,0,0|3,0,0]=4 8405 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000744528 [0,0,0,1,0,0|3,0,0]=4 8406 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100000744528_100011713738 [0,0,0,1,0,0|3,0,0]=4 8407 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000744528 [0,0,0,1,0,0|3,0,0]=4 8408 B14R1.427 NC(=O)NCCNCCC1CCCC1 2230a_100000739158_200000034859 [0,0,0,1,0,0|3,0,0]=4 8409 B14R1.427 NC(=O)NCCNCCC1CCCC1 34a_100020590234_100000760354 [0,0,0,1,0,0|3,0,0]=4 8410 B14R1.427 NC(=O)NCCOCCC1CCCC1 34a_100000181757_100000760354 [0,0,0,1,0,0|3,0,0]=4 8411 B14R1.427 NC(=O)NCCOCCC1CCCC1 7a_100000749090_200000034859 [0,0,0,1,0,0|3,0,0]=4 8412 B14R1.427 NC(=O)NCCSCCC1CCCC1 62a_100000760354_200000034859 [0,0,0,1,0,0|3,0,0]=4 8413 B14R1.427 NC(=O)NCCSCCC1CCCC1 62a_200000034859_100000760354 [0,0,0,1,0,0|3,0,0]=4 8414 B14R1.427 NC(=O)OCCNCCC1CCCC1 34a_100000739158_200011214921 [0,0,0,1,0,0|2,0,0]=3 8415 B14R1.427 NC(=O)OCCOCCC1CCCC1 34a_100000749090_200011214921 [0,0,0,1,0,0|2,0,0]=3 8416 B14R1.427 NC(=O)OCCOCCC1CCCC1 7a_100000749090_200011214921 [0,0,0,1,0,0|2,0,0]=3 8417 B14R1.427 NC(=O)OCCOCCC1CCCC1 7a_100000766696_100000760354 [0,0,0,1,0,0|2,0,0]=3 8418 B14R1.427 NC(=O)OCCOCCC1CCNC1 34a_100016987287_200011214921 [0,0,0,1,0,0|3,0,0]=4 8419 B14R1.427 NC(=O)OCCOCCC1CCOC1 34a_100011879284_200011214921 [0,0,0,1,0,0|3,0,0]=4 8420 B14R1.427 NC(=O)OCCOCCN1CCCC1 7a_100000766696_100000004467 [0,0,0,1,0,0|3,0,0]=4 8421 B14R1.427 NC(=O)OCCSCCC1CCCC1 62a_100000760354_200011214921 [0,0,0,1,0,0|2,0,0]=3 8422 B14R1.427 NC(=O)OCCSCCC1CCCC1 62a_200011214921_100000760354 [0,0,0,1,0,0|2,0,0]=3 8423 B14R1.427 NC(=O)OCCSCCN1CCCC1 62a_100000700749_200011214921 [0,0,0,1,0,0|3,0,0]=4 8424 B14R1.427 NC(=O)OCCSCCN1CCCC1 62a_200011214921_100000004467 [0,0,0,1,0,0|3,0,0]=4 8425 B14R1.427 O=C([O-])CCCCCOC1CCCC1 7a_100102619762_100000179811 [0,0,0,1,0,0|3,0,0]=4 8426 B14R1.427 O=[N+]([O-])OCCCCNC1CCCC1 34a_100000211070_100015694321 [0,0,0,1,0,0|3,0,0]=4 8427 B14R1.427 O=[N+]([O-])OCCCCOC1CCCC1 34a_100000210269_100015694321 [0,0,0,1,0,0|3,0,0]=4 8428 B14R1.427 O=[N+]([O-])OCCCCOC1CCCC1 7a_100000210269_100015694321 [0,0,0,1,0,0|3,0,0]=4 8429 B14R1.427 O=[N+]([O-])OCCCCSC1CCCC1 62a_100011217020_100015694321 [0,0,0,1,0,0|3,0,0]=4 8430 B14R1.482 C=C(C)CCN1CCCCC1CCC 2230a_100000701414_100000730704 [0,0,0,1,0,0|3,0,0]=4 8431 B14R1.482 C=C(C)CCN1CCCCC1CCC 269982a_100000701414_100000730704 [0,0,0,1,0,0|3,0,0]=4 8432 B14R1.482 C=C(C)CCN1CCCCC1CCC 34a_100000701414_100000730704 [0,0,0,1,0,0|3,0,0]=4 8433 B14R1.482 C=C(C)COC1CCCCC1CCC 34a_100011217265_100000748629 [0,0,0,1,0,0|3,0,0]=4 8434 B14R1.482 C=C(C)COC1CCCCC1CCC 7a_100011217265_100000748629 [0,0,0,1,0,0|3,0,0]=4 8435 B14R1.482 CC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000053229 [0,0,0,1,0,0|3,0,0]=4 8436 B14R1.482 CC(=O)OCN1CCCCC1CC#N 34a_100000133382_100009813279 [0,0,0,1,0,0|2,0,1]=4 8437 B14R1.482 CC(=O)OCN1CCCCC1CCO 269982a_100000211664_100000076356 [0,0,0,1,0,0|2,0,0]=3 8438 B14R1.482 CC(=O)OCN1CCCCC1CCO 34a_100000211664_100009813279 [0,0,0,1,0,0|2,0,0]=3 8439 B14R1.482 CCCC1CCCCC1=NNC(=O)C 4a_100000189765_100011218038 [0,0,0,1,0,0|2,0,1]=4 8440 B14R1.482 CCCC1CCCCC1OCC(=O)N 34a_100011217265_100000187820 [0,0,0,1,0,0|3,0,0]=4 8441 B14R1.482 CCCC1CCCCC1OCC(=O)N 7a_100011217265_100000187820 [0,0,0,1,0,0|3,0,0]=4 8442 B14R1.482 CCCC1CCCCC1OCC(=O)[O-] 34a_100011217265_100020667443 [0,0,0,1,0,0|3,0,0]=4 8443 B14R1.482 CCCC1CCCCN1CC=C(C)C 2230a_100000701414_100000761012 [0,0,0,1,0,0|3,0,0]=4 8444 B14R1.482 CCCC1CCCCN1CC=C(C)C 269982a_100000701414_100000761012 [0,0,0,1,0,0|3,0,0]=4 8445 B14R1.482 CCCC1CCCCN1CC=C(C)C 34a_100000701414_100000761012 [0,0,0,1,0,0|3,0,0]=4 8446 B14R1.482 CCCC1CCCCN1CCC(=O)C 269982a_100000701414_100000053229 [0,0,0,1,0,0|2,0,0]=3 8447 B14R1.482 CCCC1CCCCN1CCC(=O)N 2230a_100000701414_100000744528 [0,0,0,1,0,0|3,0,0]=4 8448 B14R1.482 CCCC1CCCCN1CCC(=O)N 269982a_100000701414_100000744528 [0,0,0,1,0,0|3,0,0]=4 8449 B14R1.482 CCCC1CCCCN1CCC(=O)N 34a_100000701414_100000731001 [0,0,0,1,0,0|3,0,0]=4 8450 B14R1.482 CCCC1CCCCN1COC(=O)C 269982a_100000701414_100000076356 [0,0,0,1,0,0|1,0,0]=2 8451 B14R1.482 CCCC1CCCCN1COC(=O)C 34a_100000701414_100009813279 [0,0,0,1,0,0|1,0,0]=2 8452 B14R1.482 CCCC1CCCCN1COC(C)C 2230a_100000701414_100000709892 [0,0,0,1,0,0|2,0,1]=4 8453 B14R1.482 CCCC1CCCCN1COC(C)C 269982a_100000701414_100000709892 [0,0,0,1,0,0|2,0,1]=4 8454 B14R1.482 CCCC1CCCCN1COC(C)C 34a_100000701414_100000709892 [0,0,0,1,0,0|2,0,1]=4 8455 B14R1.482 CCCC1COCCN1CCC(=O)C 269982a_102495339903_100000053229 [0,0,0,1,0,0|3,0,0]=4 8456 B14R1.482 CCCC1COCCN1COC(=O)C 269982a_102495339903_100000076356 [0,0,0,1,0,0|2,0,0]=3 8457 B14R1.482 CCCC1COCCN1COC(=O)C 34a_102495339903_100009813279 [0,0,0,1,0,0|2,0,0]=3 8458 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [0,0,0,1,0,0|3,0,0]=4 8459 B14R1.482 COCC1CCCCN1CCC(=O)C 269982a_100015184032_100000053229 [0,0,0,1,0,0|3,0,0]=4 8460 B14R1.482 COCC1CCCCN1COC(=O)C 269982a_100015184032_100000076356 [0,0,0,1,0,0|2,0,0]=3 8461 B14R1.482 COCC1CCCCN1COC(=O)C 34a_100015184032_100009813279 [0,0,0,1,0,0|2,0,0]=3 8462 B14R1.482 COC[C@H]1COCCN1COC(=O)C 269982a_100016989928_100000076356 [0,0,0,1,0,0|3,0,0]=4 8463 B14R1.482 COC[C@H]1COCCN1COC(=O)C 34a_100016989928_100009813279 [0,0,0,1,0,0|3,0,0]=4 8464 B14R1.498 CCCC1CCCC1NCC=C(C)C 270004a_100000718196_100000723119 [0,0,0,1,0,0|3,0,0]=4 8465 B14R1.498 CCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000723119 [0,0,0,1,0,0|3,0,0]=4 8466 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)C 269982a_100020646714_100011215641 [0,0,0,1,0,0|3,0,0]=4 8467 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)C 34a_100020646714_100000685027 [0,0,0,1,0,0|3,0,0]=4 8468 B14R1.498 COC[C@@H]1CCCN1CCNC(=O)C 2230a_100020646714_100000189650 [0,0,0,1,0,0|3,0,0]=4 8469 B14R1.498 COC[C@@H]1CCCN1CCNC(=O)C 269982a_100020646714_100000189650 [0,0,0,1,0,0|3,0,0]=4 8470 B14R1.498 COC[C@@H]1CCCN1CCOC(=O)C 269982a_100020646714_100009814007 [0,0,0,1,0,0|2,0,0]=3 8471 B14R1.498 COC[C@@H]1CCCN1CCOC(=O)C 34a_100020646714_100009814007 [0,0,0,1,0,0|2,0,0]=3 8472 B14R1.498 COC[C@@H]1CCCN1CCOC(=O)N 269982a_100020646714_200011214921 [0,0,0,1,0,0|3,0,0]=4 8473 B14R1.498 COC[C@@H]1CCCN1CCOC(=O)N 34a_100020646714_200011214921 [0,0,0,1,0,0|3,0,0]=4 8474 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [0,0,0,1,0,0|3,0,0]=4 8475 B14R1.767 C=C1CC(C1)CNCCCCCCC 2230a_100102567296_100000210681 [0,0,0,1,0,0|3,0,0]=4 8476 B14R1.767 C=C1CC(C1)CNCCCCCCC 34a_100102567296_100000210614 [0,0,0,1,0,0|3,0,0]=4 8477 B14R1.767 C=C1CC(C1)COCCCCCCC 34a_100011011225_100000210614 [0,0,0,1,0,0|3,0,0]=4 8478 B14R1.767 C=C1CC(C1)NCCCCCCCC 2230a_100132301982_100000210759 [0,0,0,1,0,0|3,0,0]=4 8479 B14R1.767 CCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210317 [0,0,0,1,0,0|2,0,0]=3 8480 B14R1.767 CCCCCCCNCC1CC(=O)C1 2230a_100000229938_100009874392 [0,0,0,1,0,0|2,0,0]=3 8481 B14R1.767 CCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210614 [0,0,0,1,0,0|2,0,0]=3 8482 B14R1.767 CCCCCCCOCC1CC(=O)C1 7a_100000210272_100009874392 [0,0,0,1,0,0|2,0,0]=3 8483 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100000210614_100009874392 [0,0,0,1,0,0|2,0,0]=3 8484 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210316 [0,0,0,1,0,0|2,0,0]=3 8485 B14R1.767 CCCCOCCOCC1CC(=O)C1 34a_100000101936_100000743108 [0,0,0,1,0,0|3,0,0]=4 8486 B14R1.767 CCCCOCCOCC1CC(=O)C1 7a_100000210238_100009874392 [0,0,0,1,0,0|3,0,0]=4 8487 B14R1.767 CCCCOCCSCC1CC(=O)C1 62a_100000743108_100009874392 [0,0,0,1,0,0|3,0,0]=4 8488 B14R1.767 CCCCOCCSCC1CC(=O)C1 62a_100009874392_100000743108 [0,0,0,1,0,0|3,0,0]=4 8489 B14R1.767 CCCCSCCNCC1CC(=O)C1 2230a_100025743550_100009874392 [0,0,0,1,0,0|3,0,0]=4 8490 B14R1.767 CCCCSCCOCC1CC(=O)C1 7a_200000230436_100009874392 [0,0,0,1,0,0|3,0,0]=4 8491 B14R1.767 CCCOCCCNCC1CC(=O)C1 2230a_100011217757_100009874392 [0,0,0,1,0,0|3,0,0]=4 8492 B14R1.767 COCCCCCCSC1CC(=O)C1 62a_100009894365_100011998445 [0,0,0,1,0,0|3,0,0]=4 8493 B14R1.767 COCCCCCNCC1CC(=O)C1 2230a_100000747528_100009874392 [0,0,0,1,0,0|3,0,0]=4 8494 B14R1.767 O=C1CC(C1)CNCCCCCCO 2230a_100000686447_100009874392 [0,0,0,1,0,0|3,0,0]=4 8495 B14R1.767 O=C1CC(C1)COCCCCCCBr 7a_100011215345_100009874392 [0,0,0,1,0,0|3,0,0]=4 8496 B14R1.767 O=C1CC(C1)COCCCCCCCl 7a_100000766143_100009874392 [0,0,0,1,0,0|3,0,0]=4 8497 B14R1.767 O=C1CC(C1)COCCCCCCF 34a_100000101936_100015922095 [0,0,0,1,0,0|3,0,0]=4 8498 B14R1.767 O=C1CC(C1)COCCCCCCF 7a_100000732779_100009874392 [0,0,0,1,0,0|3,0,0]=4 8499 B14R1.767 O=C1CC(C1)COCCCCCCO 34a_100000101936_100000766143 [0,0,0,1,0,0|3,0,0]=4 8500 B14R1.767 O=C1CC(C1)CSCCCCCCF 62a_100009874392_100015922095 [0,0,0,1,0,0|3,0,0]=4 8501 B14R1.767 O=C1CC(C1)CSCCCCCCF 62a_100015922095_100009874392 [0,0,0,1,0,0|3,0,0]=4 8502 B14R1.767 O=C1CC(C1)CSCCCCCCO 62a_100000766143_100009874392 [0,0,0,1,0,0|3,0,0]=4 8503 B14R1.767 O=C1CC(C1)CSCCCCCCO 62a_100009874392_100000766143 [0,0,0,1,0,0|3,0,0]=4 8504 B14R1.767 O=C1CC(C1)SCCCCCCCO 62a_100009894365_100000760002 [0,0,0,1,0,0|3,0,0]=4 8505 B14R1.786 CCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210211 [0,0,0,1,0,0|3,0,0]=4 8506 B14R1.786 CCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210211 [0,0,0,1,0,0|3,0,0]=4 8507 B14R1.786 CCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210210 [0,0,0,1,0,0|3,0,0]=4 8508 B14R1.799 CCCCC1C=CCN1COC(=O)C 269982a_100015184376_100000076356 [0,0,0,1,0,0|1,0,2]=4 8509 B14R1.799 CCCCC1C=CCN1COC(=O)C 34a_100015184376_100009813279 [0,0,0,1,0,0|1,0,2]=4 8510 B14R1.799 CCCCC1CCCC1=NNC(=O)C 4a_100000189765_100000750825 [0,0,0,1,0,0|2,0,1]=4 8511 B14R1.903 CCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210326 [0,0,0,1,0,0|3,0,0]=4 8512 B14R1.903 CCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210215 [0,0,0,1,0,0|3,0,0]=4 8513 B14R1.903 CCCCCN1CCCCC1C(=O)N 34a_100000181395_100000718602 [0,0,0,1,0,0|3,0,0]=4 8514 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [0,0,0,1,0,0|3,0,0]=4 8515 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [0,0,0,1,0,0|3,0,0]=4 8516 B14R1.903 COCCCC1CCCCN1C(=O)C 11a_100011804088_100015343762 [0,0,0,1,0,0|2,0,0]=3 8517 B14R1.903 COCCCC1CCCCN1C(=O)C 1626a_100011804088_100015343762 [0,0,0,1,0,0|2,0,0]=3 8518 B14R1.903 COCCCC1CCCCN1C(=O)C 240690a_100011804088_100015343762 [0,0,0,1,0,0|2,0,0]=3 8519 B14R1.903 COCCCC1CCCCN1C(=O)C 527a_100011804088_100103153847 [0,0,0,1,0,0|2,0,0]=3 8520 B14R1.1252 CCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210314 [0,0,0,1,0,0|2,0,0]=3 8521 B14R1.1252 CCCCOCN1CCCNC(=O)C1 2230a_100015190381_100011995733 [0,0,0,1,0,0|3,0,0]=4 8522 B14R1.1252 CCCOCCN1CCCNC(=O)C1 2230a_100015190381_100011215938 [0,0,0,1,0,0|3,0,0]=4 8523 B14R1.1252 CCOCCCN1CCCNC(=O)C1 2230a_100015190381_100012232248 [0,0,0,1,0,0|3,0,0]=4 8524 B14R1.1252 COCCCCN1CCCNC(=O)C1 2230a_100015190381_100000730899 [0,0,0,1,0,0|3,0,0]=4 8525 B14R1.1252 O=C1CN(CCCN1)CCCCCF 2230a_100015190381_100000729378 [0,0,0,1,0,0|3,0,0]=4 8526 B14R1.1252 O=C1CN(CCCN1)CCCCCO 2230a_100015190381_100000746330 [0,0,0,1,0,0|3,0,0]=4 8527 B14R1.1275 CCCCCCCOCC1OC1(C)C 34a_200010283642_100000210614 [0,0,0,1,0,0|2,0,1]=4 8528 B14R1.1275 CCCCCCCOCC1OC1(C)C 7a_200010283642_100000210614 [0,0,0,1,0,0|2,0,1]=4 8529 B14R1.1454 C=C(C)CCNC1CCCCCCC1 2230a_100000211152_100000730704 [0,0,0,1,0,0|3,0,0]=4 8530 B14R1.1454 C=C(C)CCNC1CCCCCCC1 34a_100000211152_100000730704 [0,0,0,1,0,0|3,0,0]=4 8531 B14R1.1454 C=C(C)CCOC1CCCCCCC1 34a_100000210054_100000730704 [0,0,0,1,0,0|3,0,0]=4 8532 B14R1.1454 C=C(C)CCOC1CCCCCCC1 7a_100000210054_100000730704 [0,0,0,1,0,0|3,0,0]=4 8533 B14R1.1454 C=C(C)COCC1CCCCCCC1 34a_100011216312_100000748629 [0,0,0,1,0,0|3,0,0]=4 8534 B14R1.1454 C=C(C)COCC1CCCCCCC1 7a_100011216312_100000748629 [0,0,0,1,0,0|3,0,0]=4 8535 B14R1.1454 CC(=CCCN1CCCCCCC1)C 2230a_100000211400_100011217483 [0,0,0,1,0,0|3,0,0]=4 8536 B14R1.1454 CC(=CCCN1CCCCCCC1)C 269982a_100000211400_100011217483 [0,0,0,1,0,0|3,0,0]=4 8537 B14R1.1454 CC(=CCCN1CCCCCCC1)C 34a_100000211400_100011217483 [0,0,0,1,0,0|3,0,0]=4 8538 B14R1.1454 CC(=CCNC1CCCCCCC1)C 2230a_100000211152_100000761012 [0,0,0,1,0,0|3,0,0]=4 8539 B14R1.1454 CC(=CCNC1CCCCCCC1)C 270004a_100000718196_100000210524 [0,0,0,1,0,0|3,0,0]=4 8540 B14R1.1454 CC(=CCNC1CCCCCCC1)C 34a_100000211152_100000761012 [0,0,0,1,0,0|3,0,0]=4 8541 B14R1.1454 CC(=CCOC1CCCCCCC1)C 34a_100000210054_100000761012 [0,0,0,1,0,0|3,0,0]=4 8542 B14R1.1454 CC(=CCOC1CCCCCCC1)C 7a_100000210054_100000761012 [0,0,0,1,0,0|3,0,0]=4 8543 B14R1.1454 CC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011215641 [0,0,0,1,0,0|2,0,0]=3 8544 B14R1.1454 CC(=O)CCCN1CCCCCCC1 34a_100000211400_100000685027 [0,0,0,1,0,0|2,0,0]=3 8545 B14R1.1454 CC(=O)CCOC1CCCCCCC1 7a_100000210054_100000053229 [0,0,0,1,0,0|2,0,0]=3 8546 B14R1.1454 CC(=O)NCCC1CCCCCCC1 11a_100011532352_100015343762 [0,0,0,1,0,0|1,0,0]=2 8547 B14R1.1454 CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100015343762 [0,0,0,1,0,0|1,0,0]=2 8548 B14R1.1454 CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100015343762 [0,0,0,1,0,0|1,0,0]=2 8549 B14R1.1454 CC(=O)NCCC1CCCCCCC1 527a_100011532352_100103153847 [0,0,0,1,0,0|1,0,0]=2 8550 B14R1.1454 CC(=O)NCCN1CCCCCCC1 2230a_100000211400_100000189650 [0,0,0,1,0,0|2,0,0]=3 8551 B14R1.1454 CC(=O)NCCN1CCCCCCC1 269982a_100000211400_100000189650 [0,0,0,1,0,0|2,0,0]=3 8552 B14R1.1454 CC(=O)NN=CC1CCCCCCC1 4a_100000189765_100000765718 [0,0,0,1,0,0|2,0,1]=4 8553 B14R1.1454 CC(=O)OCCN1CCCCCCC1 269982a_100000211400_100009814007 [0,0,0,1,0,0|1,0,0]=2 8554 B14R1.1454 CC(=O)OCCN1CCCCCCC1 34a_100000211400_100009814007 [0,0,0,1,0,0|1,0,0]=2 8555 B14R1.1454 CC(=O)OCNC1CCCCCCC1 34a_100000211152_100009813279 [0,0,0,1,0,0|1,0,0]=2 8556 B14R1.1454 CC(=O)OCOC1C=CCCCCC1 34a_100000688657_100009813279 [0,0,0,1,0,0|1,0,2]=4 8557 B14R1.1454 CC(=O)OCOC1CC/C=C\CCC1 34a_100016989180_100009813279 [0,0,0,1,0,0|1,0,2]=4 8558 B14R1.1454 CC(=O)OCOC1CCCCCCC1 34a_100000210054_100009813279 [0,0,0,1,0,0|1,0,0]=2 8559 B14R1.1454 CC(=O)OCSC1CC/C=C\CCC1 62a_100000076356_100021000466 [0,0,0,1,0,0|1,0,2]=4 8560 B14R1.1454 CC(=O)OCSC1CC/C=C\CCC1 62a_100021000466_100000076356 [0,0,0,1,0,0|1,0,2]=4 8561 B14R1.1454 CC(C)NCCC1CCCCCCC1 2230a_100011532352_100000210206 [0,0,0,1,0,0|2,0,1]=4 8562 B14R1.1454 CC(C)NCCC1CCCCCCC1 34a_100011532352_100000210206 [0,0,0,1,0,0|2,0,1]=4 8563 B14R1.1454 CC(C)OCCN1CCCCCCC1 2230a_100000211400_100000211751 [0,0,0,1,0,0|2,0,1]=4 8564 B14R1.1454 CC(C)OCCN1CCCCCCC1 269982a_100000211400_100000211751 [0,0,0,1,0,0|2,0,1]=4 8565 B14R1.1454 CC(C)OCCN1CCCCCCC1 34a_100000211400_100000211751 [0,0,0,1,0,0|2,0,1]=4 8566 B14R1.1454 CC(C)OCNC1CCCCCCC1 2230a_100000211152_100000709892 [0,0,0,1,0,0|2,0,1]=4 8567 B14R1.1454 CC(C)OCNC1CCCCCCC1 34a_100000211152_100000709892 [0,0,0,1,0,0|2,0,1]=4 8568 B14R1.1454 CC(C)OCOC1CCCCCCC1 34a_100000210054_100000709892 [0,0,0,1,0,0|2,0,1]=4 8569 B14R1.1454 NC(=O)CCCN1CCCCCCC1 269982a_100000211400_100102525003 [0,0,0,1,0,0|3,0,0]=4 8570 B14R1.1454 NC(=O)CCCN1CCCCCCC1 34a_100000211400_100102525003 [0,0,0,1,0,0|3,0,0]=4 8571 B14R1.1454 NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000744528 [0,0,0,1,0,0|3,0,0]=4 8572 B14R1.1454 NC(=O)CCNC1CCCCCCC1 34a_100000211152_100000731001 [0,0,0,1,0,0|3,0,0]=4 8573 B14R1.1454 NC(=O)CCOC1CCCCCCC1 34a_100000210054_100000731001 [0,0,0,1,0,0|3,0,0]=4 8574 B14R1.1454 NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000744528 [0,0,0,1,0,0|3,0,0]=4 8575 B14R1.1454 NC(=O)COCC1CCCCCCC1 34a_100011216312_100000187820 [0,0,0,1,0,0|3,0,0]=4 8576 B14R1.1454 NC(=O)COCC1CCCCCCC1 7a_100011216312_100000187820 [0,0,0,1,0,0|3,0,0]=4 8577 B14R1.1454 NC(=O)NCCN1CCCCCCC1 2230a_100000211400_200000034859 [0,0,0,1,0,0|3,0,0]=4 8578 B14R1.1454 NC(=O)NCCN1CCCCCCC1 269982a_100000211400_200000034859 [0,0,0,1,0,0|3,0,0]=4 8579 B14R1.1454 NC(=O)OCCN1CCCCCCC1 269982a_100000211400_200011214921 [0,0,0,1,0,0|2,0,0]=3 8580 B14R1.1454 NC(=O)OCCN1CCCCCCC1 34a_100000211400_200011214921 [0,0,0,1,0,0|2,0,0]=3 8581 B14R1.1454 O=C([O-])COCC1CCCCCCC1 34a_100011216312_100020667443 [0,0,0,1,0,0|3,0,0]=4 8582 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [0,0,0,1,0,0|3,0,0]=4 8583 B14R1.4294 CCCCNN=C1CCC1OC(=O)C 4a_100025702795_100010634149 [0,0,0,1,0,0|2,0,1]=4 8584 B14R1.4521 CC(=O)CCCCOCCC1COC1 34a_100009855314_100009817362 [0,0,0,1,0,0|3,0,0]=4 8585 B14R1.4521 CC(=O)NCCCCCNC1CCC1 270004a_200012022750_100000241760 [0,0,0,1,0,0|2,0,0]=3 8586 B14R1.4521 CC(=O)NCCCCCNC1CCC1 34a_200012022750_100000749161 [0,0,0,1,0,0|2,0,0]=3 8587 B14R1.4521 CC(=O)NCCCCCNC1COC1 34a_200012022750_100009818527 [0,0,0,1,0,0|3,0,0]=4 8588 B14R1.4521 CC(=O)NCCCCNCC1CCC1 2230a_200011368371_100000763275 [0,0,0,1,0,0|2,0,0]=3 8589 B14R1.4521 CC(=O)NCCCCNCC1CCC1 269862a_200011368371_100000753134 [0,0,0,1,0,0|2,0,0]=3 8590 B14R1.4521 CC(=O)NCCCCNCC1CCC1 34a_200011368371_100000763275 [0,0,0,1,0,0|2,0,0]=3 8591 B14R1.4521 CC(=O)NCCCCNCC1CCO1 2230a_200011368371_100000103362 [0,0,0,1,0,0|3,0,0]=4 8592 B14R1.4521 CC(=O)NCCCCNCC1CCO1 34a_200011368371_100000103362 [0,0,0,1,0,0|3,0,0]=4 8593 B14R1.4521 CC(=O)NCCCCNCC1COC1 2230a_200011368371_100010264016 [0,0,0,1,0,0|3,0,0]=4 8594 B14R1.4521 CC(=O)NCCCCNCC1COC1 34a_200011368371_100010264016 [0,0,0,1,0,0|3,0,0]=4 8595 B14R1.4521 CC(=O)OCCCCCNC1CCC1 2230a_100000749019_100009813381 [0,0,0,1,0,0|1,0,0]=2 8596 B14R1.4521 CC(=O)OCCCCCNC1CCC1 34a_100000749019_100000033007 [0,0,0,1,0,0|1,0,0]=2 8597 B14R1.4521 CC(=O)OCCCCCNC1COC1 2230a_100016991112_100009813381 [0,0,0,1,0,0|2,0,0]=3 8598 B14R1.4521 CC(=O)OCCCCCOC1CCC1 34a_100000748187_100000033007 [0,0,0,1,0,0|1,0,0]=2 8599 B14R1.4521 CC(=O)OCCCCCOC1CSC1 7a_100000072292_100000033007 [0,0,0,1,0,0|2,0,0]=3 8600 B14R1.4521 CC(=O)OCCCCCSC1CCC1 62a_100000033007_100000749161 [0,0,0,1,0,0|1,0,0]=2 8601 B14R1.4521 CC(=O)OCCCCCSC1COC1 62a_100000033007_100009818527 [0,0,0,1,0,0|2,0,0]=3 8602 B14R1.4521 CC(=O)OCCCCNCC1CCC1 34a_100000738700_100000033659 [0,0,0,1,0,0|1,0,0]=2 8603 B14R1.4521 CC(=O)OCCCCNCC1COC1 34a_100015281925_100000033659 [0,0,0,1,0,0|2,0,0]=3 8604 B14R1.4521 CC(=O)OCCCCNC[C@@H]1CCO1 34a_100020831831_100000033659 [0,0,0,1,0,0|2,0,0]=3 8605 B14R1.4521 CC(=O)OCCCCOCC1CCC1 34a_100000073216_100000763275 [0,0,0,1,0,0|1,0,0]=2 8606 B14R1.4521 CC(=O)OCCCCOCC1CCC1 34a_100000760304_100000033659 [0,0,0,1,0,0|1,0,0]=2 8607 B14R1.4521 CC(=O)OCCCCOCC1CCC1 7a_100000073216_100000763275 [0,0,0,1,0,0|1,0,0]=2 8608 B14R1.4521 CC(=O)OCCCCOCC1CCO1 34a_100000039022_100000033659 [0,0,0,1,0,0|2,0,0]=3 8609 B14R1.4521 CC(=O)OCCCCOCC1CCO1 34a_100000073216_100000103362 [0,0,0,1,0,0|2,0,0]=3 8610 B14R1.4521 CC(=O)OCCCCOCC1CCO1 7a_100000073216_100000103362 [0,0,0,1,0,0|2,0,0]=3 8611 B14R1.4521 CC(=O)OCCCCOCC1CNC1 34a_100016987283_100000033659 [0,0,0,1,0,0|2,0,0]=3 8612 B14R1.4521 CC(=O)OCCCCOCC1COC1 34a_100000060846_100000033659 [0,0,0,1,0,0|2,0,0]=3 8613 B14R1.4521 CC(=O)OCCCCOCC1COC1 34a_100000073216_100010264016 [0,0,0,1,0,0|2,0,0]=3 8614 B14R1.4521 CC(=O)OCCCCOCC1COC1 7a_100000073216_100010264016 [0,0,0,1,0,0|2,0,0]=3 8615 B14R1.4521 CC(=O)OCCCCSCC1CCC1 62a_100000033659_100000763275 [0,0,0,1,0,0|1,0,0]=2 8616 B14R1.4521 CC(=O)OCCCCSCC1CCC1 62a_100000763275_100000033659 [0,0,0,1,0,0|1,0,0]=2 8617 B14R1.4521 CC(=O)OCCCCSCC1CCO1 62a_100000033659_100000103362 [0,0,0,1,0,0|2,0,0]=3 8618 B14R1.4521 CC(=O)OCCCCSCC1CCO1 62a_100000103362_100000033659 [0,0,0,1,0,0|2,0,0]=3 8619 B14R1.4521 CC(=O)OCCCCSCC1COC1 62a_100000033659_100010264016 [0,0,0,1,0,0|2,0,0]=3 8620 B14R1.4521 CC(=O)OCCCCSCC1COC1 62a_100010264016_100000033659 [0,0,0,1,0,0|2,0,0]=3 8621 B14R1.4521 CC(=O)OCCCOCCC1COC1 34a_100009855314_100000042594 [0,0,0,1,0,0|2,0,0]=3 8622 B14R1.4521 CC(=O)OCCOCCNC1CCC1 2230a_100000749019_200000083610 [0,0,0,1,0,0|2,0,0]=3 8623 B14R1.4521 CC(=O)OCCOCCNC1CCC1 34a_100000749019_200000083610 [0,0,0,1,0,0|2,0,0]=3 8624 B14R1.4521 CC(=O)OCCOCCNC1COC1 2230a_100016991112_200000083610 [0,0,0,1,0,0|3,0,0]=4 8625 B14R1.4521 CC(=O)OCCOCCOC1CCC1 34a_100000748187_200000083610 [0,0,0,1,0,0|2,0,0]=3 8626 B14R1.4521 CC(=O)OCCOCCOC1CSC1 7a_100000072292_200000083610 [0,0,0,1,0,0|3,0,0]=4 8627 B14R1.4521 CC(=O)OCCOCCSC1CCC1 62a_200000083610_100000749161 [0,0,0,1,0,0|2,0,0]=3 8628 B14R1.4521 CC(=O)OCCOCCSC1COC1 62a_200000083610_100009818527 [0,0,0,1,0,0|3,0,0]=4 8629 B14R1.4521 CC(=O)OCCOCNCC1CCC1 34a_100000738700_100000076355 [0,0,0,1,0,0|2,0,0]=3 8630 B14R1.4521 CC(=O)OCCOCNCC1COC1 34a_100015281925_100000076355 [0,0,0,1,0,0|3,0,0]=4 8631 B14R1.4521 CC(=O)OCCOCNC[C@@H]1CCO1 34a_100020831831_100000076355 [0,0,0,1,0,0|3,0,0]=4 8632 B14R1.4521 CC(=O)OCCOCOCC1CCC1 34a_100000760304_100000076355 [0,0,0,1,0,0|2,0,0]=3 8633 B14R1.4521 CC(=O)OCCOCOCC1CCO1 34a_100000039022_100000076355 [0,0,0,1,0,0|3,0,0]=4 8634 B14R1.4521 CC(=O)OCCOCOCC1CNC1 34a_100016987283_100000076355 [0,0,0,1,0,0|3,0,0]=4 8635 B14R1.4521 CC(=O)OCCOCOCC1COC1 34a_100000060846_100000076355 [0,0,0,1,0,0|3,0,0]=4 8636 B14R1.4521 CC(=O)OCCOCSCC1CCC1 62a_100000076355_100000763275 [0,0,0,1,0,0|2,0,0]=3 8637 B14R1.4521 CC(=O)OCCOCSCC1CCC1 62a_100000763275_100000076355 [0,0,0,1,0,0|2,0,0]=3 8638 B14R1.4521 CC(=O)OCCOCSCC1CCO1 62a_100000076355_100000103362 [0,0,0,1,0,0|3,0,0]=4 8639 B14R1.4521 CC(=O)OCCOCSCC1CCO1 62a_100000103362_100000076355 [0,0,0,1,0,0|3,0,0]=4 8640 B14R1.4521 CC(=O)OCCOCSCC1COC1 62a_100000076355_100010264016 [0,0,0,1,0,0|3,0,0]=4 8641 B14R1.4521 CC(=O)OCCOCSCC1COC1 62a_100010264016_100000076355 [0,0,0,1,0,0|3,0,0]=4 8642 B14R1.4521 CC(=O)SCCCCNCC1CCC1 2230a_100000738700_200010402107 [0,0,0,1,0,0|1,1,0]=3 8643 B14R1.4521 CC(=O)SCCCCNCC1CCC1 34a_100000738700_200010402107 [0,0,0,1,0,0|1,1,0]=3 8644 B14R1.4521 CC(=O)SCCCCNCC1COC1 2230a_100015281925_200010402107 [0,0,0,1,0,0|2,1,0]=4 8645 B14R1.4521 CC(=O)SCCCCNCC1COC1 34a_100015281925_200010402107 [0,0,0,1,0,0|2,1,0]=4 8646 B14R1.4521 CC(=O)SCCCCNC[C@@H]1CCO1 2230a_100020831831_200010402107 [0,0,0,1,0,0|2,1,0]=4 8647 B14R1.4521 CC(=O)SCCCCNC[C@@H]1CCO1 34a_100020831831_200010402107 [0,0,0,1,0,0|2,1,0]=4 8648 B14R1.4521 CC(=O)SCCCCOCC1CCC1 34a_100000760304_200010402107 [0,0,0,1,0,0|1,1,0]=3 8649 B14R1.4521 CC(=O)SCCCCOCC1CCO1 34a_100000039022_200010402107 [0,0,0,1,0,0|2,1,0]=4 8650 B14R1.4521 CC(=O)SCCCCOCC1CNC1 34a_100016987283_200010402107 [0,0,0,1,0,0|2,1,0]=4 8651 B14R1.4521 CC(=O)SCCCCOCC1COC1 34a_100000060846_200010402107 [0,0,0,1,0,0|2,1,0]=4 8652 B14R1.4521 CC(=O)SCCCCSCC1CCC1 62a_100000763275_200010402107 [0,0,0,1,0,0|1,1,0]=3 8653 B14R1.4521 CC(=O)SCCCCSCC1CCC1 62a_200010402107_100000763275 [0,0,0,1,0,0|1,1,0]=3 8654 B14R1.4521 CC(=O)SCCCCSCC1CCO1 62a_100000103362_200010402107 [0,0,0,1,0,0|2,1,0]=4 8655 B14R1.4521 CC(=O)SCCCCSCC1CCO1 62a_200010402107_100000103362 [0,0,0,1,0,0|2,1,0]=4 8656 B14R1.4521 CC(=O)SCCCCSCC1COC1 62a_100010264016_200010402107 [0,0,0,1,0,0|2,1,0]=4 8657 B14R1.4521 CC(=O)SCCCCSCC1COC1 62a_200010402107_100010264016 [0,0,0,1,0,0|2,1,0]=4 8658 B14R1.4521 CC(=O)SCCCOCCC1COC1 34a_100009855314_100000038929 [0,0,0,1,0,0|2,1,0]=4 8659 B14R1.4521 CC(=S)OCCCOCCC1COC1 34a_100009855314_200135323944 [0,0,0,1,0,0|2,1,0]=4 8660 B14R1.4521 NC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009817443 [0,0,0,1,0,0|3,0,0]=4 8661 B14R1.4521 NC(=O)CCCCCNCC1CCC1 34a_100000738700_100009817443 [0,0,0,1,0,0|3,0,0]=4 8662 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000123541_100000763275 [0,0,0,1,0,0|3,0,0]=4 8663 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000760304_100009817443 [0,0,0,1,0,0|3,0,0]=4 8664 B14R1.4521 NC(=O)CCCCCOCC1CCC1 7a_100000123541_100000763275 [0,0,0,1,0,0|3,0,0]=4 8665 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100000763275_100009817443 [0,0,0,1,0,0|3,0,0]=4 8666 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100009817443_100000763275 [0,0,0,1,0,0|3,0,0]=4 8667 B14R1.4521 O=C([O-])CCCCCOCC1CCC1 7a_100102619762_100000763275 [0,0,0,1,0,0|3,0,0]=4 8668 B14R1.4521 O=[N+]([O-])OCCCCNCC1CCC1 34a_100000738700_100015694321 [0,0,0,1,0,0|3,0,0]=4 8669 B14R1.4521 O=[N+]([O-])OCCCCOCC1CCC1 34a_100000760304_100015694321 [0,0,0,1,0,0|3,0,0]=4 8670 B14R1.4521 O=[N+]([O-])OCCCCSCC1CCC1 62a_100000763275_100015694321 [0,0,0,1,0,0|3,0,0]=4 8671 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [0,0,0,1,0,0|3,0,0]=4 8672 B14R1.6335 C=C(C)CCN1CCCCCCCC1 2230a_100000039187_100000730704 [0,0,0,1,0,0|3,0,0]=4 8673 B14R1.6335 C=C(C)CCN1CCCCCCCC1 269982a_100000039187_100000730704 [0,0,0,1,0,0|3,0,0]=4 8674 B14R1.6335 C=C(C)CCN1CCCCCCCC1 34a_100000039187_100000730704 [0,0,0,1,0,0|3,0,0]=4 8675 B14R1.6335 CC(=CCN1CCCCCCCC1)C 2230a_100000039187_100000761012 [0,0,0,1,0,0|3,0,0]=4 8676 B14R1.6335 CC(=CCN1CCCCCCCC1)C 269982a_100000039187_100000761012 [0,0,0,1,0,0|3,0,0]=4 8677 B14R1.6335 CC(=CCN1CCCCCCCC1)C 34a_100000039187_100000761012 [0,0,0,1,0,0|3,0,0]=4 8678 B14R1.6335 CC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000053229 [0,0,0,1,0,0|2,0,0]=3 8679 B14R1.6335 CC(=O)NN=C1CCCCCCCC1 4a_100000189765_100000038600 [0,0,0,1,0,0|2,0,1]=4 8680 B14R1.6335 CC(=O)OCN1CCCCCCCC1 269982a_100000039187_100000076356 [0,0,0,1,0,0|1,0,0]=2 8681 B14R1.6335 CC(=O)OCN1CCCCCCCC1 34a_100000039187_100009813279 [0,0,0,1,0,0|1,0,0]=2 8682 B14R1.6335 CC(C)OCN1CCCCCCCC1 2230a_100000039187_100000709892 [0,0,0,1,0,0|2,0,1]=4 8683 B14R1.6335 CC(C)OCN1CCCCCCCC1 269982a_100000039187_100000709892 [0,0,0,1,0,0|2,0,1]=4 8684 B14R1.6335 CC(C)OCN1CCCCCCCC1 34a_100000039187_100000709892 [0,0,0,1,0,0|2,0,1]=4 8685 B14R1.6335 NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000744528 [0,0,0,1,0,0|3,0,0]=4 8686 B14R1.6335 NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000744528 [0,0,0,1,0,0|3,0,0]=4 8687 B14R1.6335 NC(=O)CCN1CCCCCCCC1 34a_100000039187_100000731001 [0,0,0,1,0,0|3,0,0]=4 8688 B14R1.6343 C=C(C)CCNCC1CCCCCC1 2230a_100015204231_100000730704 [0,0,0,1,0,0|3,0,0]=4 8689 B14R1.6343 C=C(C)CCNCC1CCCCCC1 34a_100015204231_100000730704 [0,0,0,1,0,0|3,0,0]=4 8690 B14R1.6343 C=C(C)CCOCC1CCCCCC1 34a_100000699130_100000730704 [0,0,0,1,0,0|3,0,0]=4 8691 B14R1.6343 C=C(C)CCOCC1CCCCCC1 34a_100000764851_200000696569 [0,0,0,1,0,0|3,0,0]=4 8692 B14R1.6343 C=C(C)CCOCC1CCCCCC1 7a_100000699130_100000730704 [0,0,0,1,0,0|3,0,0]=4 8693 B14R1.6343 C=C(C)CCSCC1CCCCCC1 62a_100000730704_200000696569 [0,0,0,1,0,0|3,0,0]=4 8694 B14R1.6343 C=C(C)CCSCC1CCCCCC1 62a_200000696569_100000730704 [0,0,0,1,0,0|3,0,0]=4 8695 B14R1.6343 C=C(C)CNCCC1CCCCCC1 2230a_100011532351_100000748629 [0,0,0,1,0,0|3,0,0]=4 8696 B14R1.6343 C=C(C)CNCCC1CCCCCC1 34a_100011532351_100000748629 [0,0,0,1,0,0|3,0,0]=4 8697 B14R1.6343 CC(=CCCNC1CCCCCC1)C 2230a_100000210984_100011217483 [0,0,0,1,0,0|3,0,0]=4 8698 B14R1.6343 CC(=CCCNC1CCCCCC1)C 34a_100000210984_100011217483 [0,0,0,1,0,0|3,0,0]=4 8699 B14R1.6343 CC(=CCCOC1CCCCCC1)C 34a_100000210887_100011217483 [0,0,0,1,0,0|3,0,0]=4 8700 B14R1.6343 CC(=CCCOC1CCCCCC1)C 7a_100000210887_100011217483 [0,0,0,1,0,0|3,0,0]=4 8701 B14R1.6343 CC(=CCCSC1CCCCCC1)C 62a_100011217483_100011217769 [0,0,0,1,0,0|3,0,0]=4 8702 B14R1.6343 CC(=CCCSC1CCCCCC1)C 62a_100011217769_100011217483 [0,0,0,1,0,0|3,0,0]=4 8703 B14R1.6343 CC(=CCNCC1CCCCCC1)C 2230a_100015204231_100000761012 [0,0,0,1,0,0|3,0,0]=4 8704 B14R1.6343 CC(=CCNCC1CCCCCC1)C 34a_100000718196_200000696569 [0,0,0,1,0,0|3,0,0]=4 8705 B14R1.6343 CC(=CCNCC1CCCCCC1)C 34a_100015204231_100000761012 [0,0,0,1,0,0|3,0,0]=4 8706 B14R1.6343 CC(=CCOCC1CCCCCC1)C 34a_100000699130_100000761012 [0,0,0,1,0,0|3,0,0]=4 8707 B14R1.6343 CC(=CCOCC1CCCCCC1)C 34a_100000753907_200000696569 [0,0,0,1,0,0|3,0,0]=4 8708 B14R1.6343 CC(=CCOCC1CCCCCC1)C 7a_100000699130_100000761012 [0,0,0,1,0,0|3,0,0]=4 8709 B14R1.6343 CC(=CCSCC1CCCCCC1)C 62a_100000761012_200000696569 [0,0,0,1,0,0|3,0,0]=4 8710 B14R1.6343 CC(=CCSCC1CCCCCC1)C 62a_200000696569_100000761012 [0,0,0,1,0,0|3,0,0]=4 8711 B14R1.6343 CC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000735457 [0,0,0,1,0,0|2,0,0]=3 8712 B14R1.6343 CC(=O)CCCCN1CCCCCC1 34a_100000185865_100009817362 [0,0,0,1,0,0|2,0,0]=3 8713 B14R1.6343 CC(=O)CCCCN1CCCOCC1 269982a_100000685342_100000735457 [0,0,0,1,0,0|3,0,0]=4 8714 B14R1.6343 CC(=O)CCCCN1CCCOCC1 34a_100000685342_100009817362 [0,0,0,1,0,0|3,0,0]=4 8715 B14R1.6343 CC(=O)CCCNC1CCCCCC1 34a_100000210984_100000685027 [0,0,0,1,0,0|2,0,0]=3 8716 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000210887_100000685027 [0,0,0,1,0,0|2,0,0]=3 8717 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000759063_100011217769 [0,0,0,1,0,0|2,0,0]=3 8718 B14R1.6343 CC(=O)CCCOC1CCCCCC1 7a_100000210887_100011215641 [0,0,0,1,0,0|2,0,0]=3 8719 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011215641_100011217769 [0,0,0,1,0,0|2,0,0]=3 8720 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011217769_100011215641 [0,0,0,1,0,0|2,0,0]=3 8721 B14R1.6343 CC(=O)CCOCC1CCCCCC1 34a_100000759926_200000696569 [0,0,0,1,0,0|2,0,0]=3 8722 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000699130_100000053229 [0,0,0,1,0,0|2,0,0]=3 8723 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000759926_200000696569 [0,0,0,1,0,0|2,0,0]=3 8724 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_100000053229_200000696569 [0,0,0,1,0,0|2,0,0]=3 8725 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_200000696569_100000053229 [0,0,0,1,0,0|2,0,0]=3 8726 B14R1.6343 CC(=O)NCCCN1CCCCCC1 11a_100000181460_100015343762 [0,0,0,1,0,0|2,0,0]=3 8727 B14R1.6343 CC(=O)NCCCN1CCCCCC1 240690a_100000181460_100015343762 [0,0,0,1,0,0|2,0,0]=3 8728 B14R1.6343 CC(=O)NCCCN1CCCCCC1 527a_100000181460_100103153847 [0,0,0,1,0,0|2,0,0]=3 8729 B14R1.6343 CC(=O)NCCNC1CCCCCC1 2230a_100000210984_100000189650 [0,0,0,1,0,0|2,0,0]=3 8730 B14R1.6343 CC(=O)NCCOC1CCCCCC1 34a_100000158858_100011217769 [0,0,0,1,0,0|2,0,0]=3 8731 B14R1.6343 CC(=O)NCCOC1CCCCCC1 7a_100000210887_100000189650 [0,0,0,1,0,0|2,0,0]=3 8732 B14R1.6343 CC(=O)NCCSC1CCCCCC1 62a_100000189650_100011217769 [0,0,0,1,0,0|2,0,0]=3 8733 B14R1.6343 CC(=O)NCCSC1CCCCCC1 62a_100011217769_100000189650 [0,0,0,1,0,0|2,0,0]=3 8734 B14R1.6343 CC(=O)OCCCN1CCCCCC1 269982a_100000185865_100000042594 [0,0,0,1,0,0|1,0,0]=2 8735 B14R1.6343 CC(=O)OCCCN1CCCCCC1 34a_100000185865_100000042594 [0,0,0,1,0,0|1,0,0]=2 8736 B14R1.6343 CC(=O)OCCCN1CCCOCC1 269982a_100000685342_100000042594 [0,0,0,1,0,0|2,0,0]=3 8737 B14R1.6343 CC(=O)OCCCN1CCCOCC1 34a_100000685342_100000042594 [0,0,0,1,0,0|2,0,0]=3 8738 B14R1.6343 CC(=O)OCCNC1CCCCCC1 34a_100000210984_100009814007 [0,0,0,1,0,0|1,0,0]=2 8739 B14R1.6343 CC(=O)OCCOC1CCCCCC1 34a_100000210887_100009814007 [0,0,0,1,0,0|1,0,0]=2 8740 B14R1.6343 CC(=O)OCCOC1CCCCCC1 7a_100000210887_100009814007 [0,0,0,1,0,0|1,0,0]=2 8741 B14R1.6343 CC(=O)OCCSC1CCCCCC1 62a_100009814007_100011217769 [0,0,0,1,0,0|1,0,0]=2 8742 B14R1.6343 CC(=O)OCCSC1CCCCCC1 62a_100011217769_100009814007 [0,0,0,1,0,0|1,0,0]=2 8743 B14R1.6343 CC(=O)OCNCC1CCCCCC1 34a_100015204231_100009813279 [0,0,0,1,0,0|1,0,0]=2 8744 B14R1.6343 CC(=O)OCOCC1CCCCCC1 34a_100000699130_100009813279 [0,0,0,1,0,0|1,0,0]=2 8745 B14R1.6343 CC(=O)OCOCC1CNCCOC1 34a_100103147999_100009813279 [0,0,0,1,0,0|3,0,0]=4 8746 B14R1.6343 CC(=O)OCSCC1CCCCCC1 62a_100000076356_200000696569 [0,0,0,1,0,0|1,0,0]=2 8747 B14R1.6343 CC(=O)OCSCC1CCCCCC1 62a_200000696569_100000076356 [0,0,0,1,0,0|1,0,0]=2 8748 B14R1.6343 CC(=O)SCCCN1CCCCCC1 2230a_100000185865_100000038929 [0,0,0,1,0,0|1,1,0]=3 8749 B14R1.6343 CC(=O)SCCCN1CCCCCC1 269982a_100000185865_100000038929 [0,0,0,1,0,0|1,1,0]=3 8750 B14R1.6343 CC(=O)SCCCN1CCCCCC1 34a_100000185865_100000038929 [0,0,0,1,0,0|1,1,0]=3 8751 B14R1.6343 CC(=O)SCCCN1CCCOCC1 2230a_100000685342_100000038929 [0,0,0,1,0,0|2,1,0]=4 8752 B14R1.6343 CC(=O)SCCCN1CCCOCC1 269982a_100000685342_100000038929 [0,0,0,1,0,0|2,1,0]=4 8753 B14R1.6343 CC(=O)SCCCN1CCCOCC1 34a_100000685342_100000038929 [0,0,0,1,0,0|2,1,0]=4 8754 B14R1.6343 CC(=S)OCCCN1CCCCCC1 2230a_100000185865_200135323944 [0,0,0,1,0,0|1,1,0]=3 8755 B14R1.6343 CC(=S)OCCCN1CCCCCC1 269982a_100000185865_200135323944 [0,0,0,1,0,0|1,1,0]=3 8756 B14R1.6343 CC(=S)OCCCN1CCCCCC1 34a_100000185865_200135323944 [0,0,0,1,0,0|1,1,0]=3 8757 B14R1.6343 CC(=S)OCCCN1CCCOCC1 2230a_100000685342_200135323944 [0,0,0,1,0,0|2,1,0]=4 8758 B14R1.6343 CC(=S)OCCCN1CCCOCC1 269982a_100000685342_200135323944 [0,0,0,1,0,0|2,1,0]=4 8759 B14R1.6343 CC(=S)OCCCN1CCCOCC1 34a_100000685342_200135323944 [0,0,0,1,0,0|2,1,0]=4 8760 B14R1.6343 CC(C)OCCCN1CCCCCC1 34a_100102886287_100000210206 [0,0,0,1,0,0|2,0,1]=4 8761 B14R1.6343 CC(C)OCCCN1CCCCCC1 7a_100102886287_100000210206 [0,0,0,1,0,0|2,0,1]=4 8762 B14R1.6343 CC(C)OCCNC1CCCCCC1 2230a_100000210984_100000211751 [0,0,0,1,0,0|2,0,1]=4 8763 B14R1.6343 CC(C)OCCNC1CCCCCC1 270004a_100000701111_100000210131 [0,0,0,1,0,0|2,0,1]=4 8764 B14R1.6343 CC(C)OCCNC1CCCCCC1 34a_100000210984_100000211751 [0,0,0,1,0,0|2,0,1]=4 8765 B14R1.6343 CC(C)OCCNC1CCCCCC1 34a_100000701111_100011217769 [0,0,0,1,0,0|2,0,1]=4 8766 B14R1.6343 CC(C)OCCOC1CCCCCC1 34a_100000210887_100000211751 [0,0,0,1,0,0|2,0,1]=4 8767 B14R1.6343 CC(C)OCCOC1CCCCCC1 34a_100000211219_100011217769 [0,0,0,1,0,0|2,0,1]=4 8768 B14R1.6343 CC(C)OCCOC1CCCCCC1 7a_100000210887_100000211751 [0,0,0,1,0,0|2,0,1]=4 8769 B14R1.6343 CC(C)OCCSC1CCCCCC1 62a_100000211751_100011217769 [0,0,0,1,0,0|2,0,1]=4 8770 B14R1.6343 CC(C)OCCSC1CCCCCC1 62a_100011217769_100000211751 [0,0,0,1,0,0|2,0,1]=4 8771 B14R1.6343 CC(C)OCNCC1CCCCCC1 2230a_100015204231_100000709892 [0,0,0,1,0,0|2,0,1]=4 8772 B14R1.6343 CC(C)OCNCC1CCCCCC1 34a_100015204231_100000709892 [0,0,0,1,0,0|2,0,1]=4 8773 B14R1.6343 CC(C)OCOCC1CCCCCC1 34a_100000699130_100000709892 [0,0,0,1,0,0|2,0,1]=4 8774 B14R1.6343 CC(C)OCSCC1CCCCCC1 62a_100000709892_200000696569 [0,0,0,1,0,0|2,0,1]=4 8775 B14R1.6343 CC(C)OCSCC1CCCCCC1 62a_200000696569_100000709892 [0,0,0,1,0,0|2,0,1]=4 8776 B14R1.6343 CS(=O)CCCNC1CCCCCC1 270004a_200000753449_100000210131 [0,0,0,1,0,0|3,0,0]=4 8777 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000210984_100102525003 [0,0,0,1,0,0|3,0,0]=4 8778 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000739312_100011217769 [0,0,0,1,0,0|3,0,0]=4 8779 B14R1.6343 NC(=O)CCCOC1CCCCCC1 34a_100000210887_100102525003 [0,0,0,1,0,0|3,0,0]=4 8780 B14R1.6343 NC(=O)CCCOC1CCCCCC1 7a_100000210887_100102525003 [0,0,0,1,0,0|3,0,0]=4 8781 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100011217769_100102525003 [0,0,0,1,0,0|3,0,0]=4 8782 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100102525003_100011217769 [0,0,0,1,0,0|3,0,0]=4 8783 B14R1.6343 NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000744528 [0,0,0,1,0,0|3,0,0]=4 8784 B14R1.6343 NC(=O)CCNCC1CCCCCC1 269862a_100000740010_200000763224 [0,0,0,1,0,0|3,0,0]=4 8785 B14R1.6343 NC(=O)CCNCC1CCCCCC1 34a_100015204231_100000731001 [0,0,0,1,0,0|3,0,0]=4 8786 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000699130_100000731001 [0,0,0,1,0,0|3,0,0]=4 8787 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000757172_200000696569 [0,0,0,1,0,0|3,0,0]=4 8788 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000744528 [0,0,0,1,0,0|3,0,0]=4 8789 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000757172_200000696569 [0,0,0,1,0,0|3,0,0]=4 8790 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_100000744528_200000696569 [0,0,0,1,0,0|3,0,0]=4 8791 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000744528 [0,0,0,1,0,0|3,0,0]=4 8792 B14R1.6343 NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747473 [0,0,0,1,0,0|3,0,0]=4 8793 B14R1.6343 NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000187820 [0,0,0,1,0,0|3,0,0]=4 8794 B14R1.6343 NC(=O)NCCNC1CCCCCC1 2230a_100000210984_200000034859 [0,0,0,1,0,0|3,0,0]=4 8795 B14R1.6343 NC(=O)NCCNC1CCCCCC1 34a_100020590234_100011217769 [0,0,0,1,0,0|3,0,0]=4 8796 B14R1.6343 NC(=O)NCCOC1CCCCCC1 34a_100000181757_100011217769 [0,0,0,1,0,0|3,0,0]=4 8797 B14R1.6343 NC(=O)NCCOC1CCCCCC1 7a_100000210887_200000034859 [0,0,0,1,0,0|3,0,0]=4 8798 B14R1.6343 NC(=O)NCCSC1CCCCCC1 62a_100011217769_200000034859 [0,0,0,1,0,0|3,0,0]=4 8799 B14R1.6343 NC(=O)NCCSC1CCCCCC1 62a_200000034859_100011217769 [0,0,0,1,0,0|3,0,0]=4 8800 B14R1.6343 NC(=O)OCCNC1CCCCCC1 34a_100000210984_200011214921 [0,0,0,1,0,0|2,0,0]=3 8801 B14R1.6343 NC(=O)OCCOC1CCCCCC1 34a_100000210887_200011214921 [0,0,0,1,0,0|2,0,0]=3 8802 B14R1.6343 NC(=O)OCCOC1CCCCCC1 7a_100000210887_200011214921 [0,0,0,1,0,0|2,0,0]=3 8803 B14R1.6343 NC(=O)OCCSC1CCCCCC1 62a_100011217769_200011214921 [0,0,0,1,0,0|2,0,0]=3 8804 B14R1.6343 NC(=O)OCCSC1CCCCCC1 62a_200011214921_100011217769 [0,0,0,1,0,0|2,0,0]=3 8805 B14R1.6343 O=C([O-])CNCCC1CCCCCC1 34a_100011532351_100020667443 [0,0,0,1,0,0|3,0,0]=4 8806 B14R1.6388 CC(=O)CCCCOCCNC1CC1 34a_100000738766_100009817362 [0,0,0,1,0,0|3,0,0]=4 8807 B14R1.6388 CC(=O)CCCCSCCCC1CO1 62a_100000733510_100000735457 [0,0,0,1,0,0|3,0,0]=4 8808 B14R1.6388 CC(=O)CCCCSCCCC1CO1 62a_100000735457_100000733510 [0,0,0,1,0,0|3,0,0]=4 8809 B14R1.6388 CC(=O)NCCCCCCNC1CC1 34a_200011996284_100000211595 [0,0,0,1,0,0|2,0,0]=3 8810 B14R1.6388 CC(=O)NCCCCCNCC1CC1 2230a_200012022750_100000742324 [0,0,0,1,0,0|2,0,0]=3 8811 B14R1.6388 CC(=O)NCCCCCNCC1CC1 269862a_200012022750_100000741477 [0,0,0,1,0,0|2,0,0]=3 8812 B14R1.6388 CC(=O)NCCCCCNCC1CC1 34a_200012022750_100000742324 [0,0,0,1,0,0|2,0,0]=3 8813 B14R1.6388 CC(=O)NCCCCCNCC1CO1 2230a_200012022750_100011216344 [0,0,0,1,0,0|3,0,0]=4 8814 B14R1.6388 CC(=O)NCCCCCNCC1CO1 34a_200012022750_102125554688 [0,0,0,1,0,0|3,0,0]=4 8815 B14R1.6388 CC(=O)NCCCCNCCC1CC1 2230a_200011368371_100000694398 [0,0,0,1,0,0|2,0,0]=3 8816 B14R1.6388 CC(=O)NCCCCNCCC1CC1 34a_200011368371_100000694398 [0,0,0,1,0,0|2,0,0]=3 8817 B14R1.6388 CC(=O)NCCCCNCCC1CO1 2230a_200011368371_100000732470 [0,0,0,1,0,0|3,0,0]=4 8818 B14R1.6388 CC(=O)NCCCCNCCC1CO1 34a_200011368371_100000732470 [0,0,0,1,0,0|3,0,0]=4 8819 B14R1.6388 CC(=O)NCCCNCCCC1CO1 34a_100000736810_100000733510 [0,0,0,1,0,0|3,0,0]=4 8820 B14R1.6388 CC(=O)NCCCOCCCC1CO1 34a_100000752032_100000733510 [0,0,0,1,0,0|3,0,0]=4 8821 B14R1.6388 CC(=O)OCCCCCNCC1CC1 2230a_100000735609_100009813381 [0,0,0,1,0,0|1,0,0]=2 8822 B14R1.6388 CC(=O)OCCCCCNCC1CC1 34a_100000735609_100000033007 [0,0,0,1,0,0|1,0,0]=2 8823 B14R1.6388 CC(=O)OCCCCCOCC1CC1 34a_100000211283_100000033007 [0,0,0,1,0,0|1,0,0]=2 8824 B14R1.6388 CC(=O)OCCCCCOC[C@@H]1CO1 34a_100000757423_100000033007 [0,0,0,1,0,0|2,0,0]=3 8825 B14R1.6388 CC(=O)OCCCCCSCC1CC1 62a_100000033007_100000742324 [0,0,0,1,0,0|1,0,0]=2 8826 B14R1.6388 CC(=O)OCCCCCSCC1CC1 62a_100000756562_100000033007 [0,0,0,1,0,0|1,0,0]=2 8827 B14R1.6388 CC(=O)OCCCCCSCC1CO1 62a_100000033007_102125554688 [0,0,0,1,0,0|2,0,0]=3 8828 B14R1.6388 CC(=O)OCCCCCSCC1CO1 62a_102125554688_100000033007 [0,0,0,1,0,0|2,0,0]=3 8829 B14R1.6388 CC(=O)OCCCCCSCC1CS1 62a_100000031435_100000033007 [0,0,0,1,0,0|2,0,0]=3 8830 B14R1.6388 CC(=O)OCCCCCSCC1CS1 62a_100000033007_100000031435 [0,0,0,1,0,0|2,0,0]=3 8831 B14R1.6388 CC(=O)OCCCCCSC[C@@H]1CO1 62a_100000033007_100000745022 [0,0,0,1,0,0|2,0,0]=3 8832 B14R1.6388 CC(=O)OCCCCCSC[C@@H]1CO1 62a_100000745022_100000033007 [0,0,0,1,0,0|2,0,0]=3 8833 B14R1.6388 CC(=O)OCCCCNCCC1CC1 34a_100000764129_100000033659 [0,0,0,1,0,0|1,0,0]=2 8834 B14R1.6388 CC(=O)OCCCCOCCC1CC1 34a_100000073216_100000694398 [0,0,0,1,0,0|1,0,0]=2 8835 B14R1.6388 CC(=O)OCCCCOCCC1CC1 34a_100000754188_100000033659 [0,0,0,1,0,0|1,0,0]=2 8836 B14R1.6388 CC(=O)OCCCCOCCC1CC1 7a_100000073216_100000764125 [0,0,0,1,0,0|1,0,0]=2 8837 B14R1.6388 CC(=O)OCCCCOCCC1CC1 7a_100000754188_100000033659 [0,0,0,1,0,0|1,0,0]=2 8838 B14R1.6388 CC(=O)OCCCCOCCC1CO1 34a_100000073216_100000732470 [0,0,0,1,0,0|2,0,0]=3 8839 B14R1.6388 CC(=O)OCCCCOCCC1CO1 7a_100000073216_100000732470 [0,0,0,1,0,0|2,0,0]=3 8840 B14R1.6388 CC(=O)OCCCCOCC[C@@H]1CO1 34a_100009820653_100000033659 [0,0,0,1,0,0|2,0,0]=3 8841 B14R1.6388 CC(=O)OCCCCSCCC1CC1 62a_100000033659_100000764125 [0,0,0,1,0,0|1,0,0]=2 8842 B14R1.6388 CC(=O)OCCCCSCCC1CC1 62a_100000764125_100000033659 [0,0,0,1,0,0|1,0,0]=2 8843 B14R1.6388 CC(=O)OCCCCSCCC1CO1 62a_100000033659_100000732470 [0,0,0,1,0,0|2,0,0]=3 8844 B14R1.6388 CC(=O)OCCCCSCCC1CO1 62a_100000732470_100000033659 [0,0,0,1,0,0|2,0,0]=3 8845 B14R1.6388 CC(=O)OCCCOCC#CC1CC1 34a_100000083941_100000042594 [0,0,0,1,0,0|1,0,2]=4 8846 B14R1.6388 CC(=O)OCCCOCC#CC1CC1 7a_100000083941_100000042594 [0,0,0,1,0,0|1,0,2]=4 8847 B14R1.6388 CC(=O)OCCCOCCNC1CC1 34a_100000738766_100000042594 [0,0,0,1,0,0|2,0,0]=3 8848 B14R1.6388 CC(=O)OCCCSCC#CC1CC1 62a_100000042594_100009895102 [0,0,0,1,0,0|1,0,2]=4 8849 B14R1.6388 CC(=O)OCCCSCC#CC1CC1 62a_100009895102_100000042594 [0,0,0,1,0,0|1,0,2]=4 8850 B14R1.6388 CC(=O)OCCCSCCCC1CO1 62a_100000042594_100000733510 [0,0,0,1,0,0|2,0,0]=3 8851 B14R1.6388 CC(=O)OCCCSCCCC1CO1 62a_100000733510_100000042594 [0,0,0,1,0,0|2,0,0]=3 8852 B14R1.6388 CC(=O)OCCOCCNCC1CC1 2230a_100000735609_200000083610 [0,0,0,1,0,0|2,0,0]=3 8853 B14R1.6388 CC(=O)OCCOCCNCC1CC1 34a_100000735609_200000083610 [0,0,0,1,0,0|2,0,0]=3 8854 B14R1.6388 CC(=O)OCCOCCOCC1CC1 34a_100000211283_200000083610 [0,0,0,1,0,0|2,0,0]=3 8855 B14R1.6388 CC(=O)OCCOCCOC[C@@H]1CO1 34a_100000757423_200000083610 [0,0,0,1,0,0|3,0,0]=4 8856 B14R1.6388 CC(=O)OCCOCCSCC1CC1 62a_100000756562_200000083610 [0,0,0,1,0,0|2,0,0]=3 8857 B14R1.6388 CC(=O)OCCOCCSCC1CC1 62a_200000083610_100000742324 [0,0,0,1,0,0|2,0,0]=3 8858 B14R1.6388 CC(=O)OCCOCCSCC1CO1 62a_102125554688_200000083610 [0,0,0,1,0,0|3,0,0]=4 8859 B14R1.6388 CC(=O)OCCOCCSCC1CO1 62a_200000083610_102125554688 [0,0,0,1,0,0|3,0,0]=4 8860 B14R1.6388 CC(=O)OCCOCCSCC1CS1 62a_100000031435_200000083610 [0,0,0,1,0,0|3,0,0]=4 8861 B14R1.6388 CC(=O)OCCOCCSCC1CS1 62a_200000083610_100000031435 [0,0,0,1,0,0|3,0,0]=4 8862 B14R1.6388 CC(=O)OCCOCCSC[C@@H]1CO1 62a_100000745022_200000083610 [0,0,0,1,0,0|3,0,0]=4 8863 B14R1.6388 CC(=O)OCCOCCSC[C@@H]1CO1 62a_200000083610_100000745022 [0,0,0,1,0,0|3,0,0]=4 8864 B14R1.6388 CC(=O)OCCOCNCCC1CC1 34a_100000764129_100000076355 [0,0,0,1,0,0|2,0,0]=3 8865 B14R1.6388 CC(=O)OCCOCOCCC1CC1 34a_100000754188_100000076355 [0,0,0,1,0,0|2,0,0]=3 8866 B14R1.6388 CC(=O)OCCOCOCC[C@@H]1CO1 34a_100009820653_100000076355 [0,0,0,1,0,0|3,0,0]=4 8867 B14R1.6388 CC(=O)OCCOCSCCC1CC1 62a_100000076355_100000764125 [0,0,0,1,0,0|2,0,0]=3 8868 B14R1.6388 CC(=O)OCCOCSCCC1CC1 62a_100000764125_100000076355 [0,0,0,1,0,0|2,0,0]=3 8869 B14R1.6388 CC(=O)OCCOCSCCC1CO1 62a_100000076355_100000732470 [0,0,0,1,0,0|3,0,0]=4 8870 B14R1.6388 CC(=O)OCCOCSCCC1CO1 62a_100000732470_100000076355 [0,0,0,1,0,0|3,0,0]=4 8871 B14R1.6388 CC(=O)SCCCCNCCC1CC1 34a_100000764129_200010402107 [0,0,0,1,0,0|1,1,0]=3 8872 B14R1.6388 CC(=O)SCCCCOCCC1CC1 34a_100000754188_200010402107 [0,0,0,1,0,0|1,1,0]=3 8873 B14R1.6388 CC(=O)SCCCCOCCC1CC1 7a_100000754188_200010402107 [0,0,0,1,0,0|1,1,0]=3 8874 B14R1.6388 CC(=O)SCCCCOCC[C@@H]1CO1 34a_100009820653_200010402107 [0,0,0,1,0,0|2,1,0]=4 8875 B14R1.6388 CC(=O)SCCCCSCCC1CC1 62a_100000764125_200010402107 [0,0,0,1,0,0|1,1,0]=3 8876 B14R1.6388 CC(=O)SCCCCSCCC1CC1 62a_200010402107_100000764125 [0,0,0,1,0,0|1,1,0]=3 8877 B14R1.6388 CC(=O)SCCCCSCCC1CO1 62a_100000732470_200010402107 [0,0,0,1,0,0|2,1,0]=4 8878 B14R1.6388 CC(=O)SCCCCSCCC1CO1 62a_200010402107_100000732470 [0,0,0,1,0,0|2,1,0]=4 8879 B14R1.6388 CC(=O)SCCCOCCNC1CC1 34a_100000738766_100000038929 [0,0,0,1,0,0|2,1,0]=4 8880 B14R1.6388 CC(=O)SCCCSCCCC1CO1 62a_100000038929_100000733510 [0,0,0,1,0,0|2,1,0]=4 8881 B14R1.6388 CC(=O)SCCCSCCCC1CO1 62a_100000733510_100000038929 [0,0,0,1,0,0|2,1,0]=4 8882 B14R1.6388 CC(=S)OCCCOCCNC1CC1 34a_100000738766_200135323944 [0,0,0,1,0,0|2,1,0]=4 8883 B14R1.6388 CC(=S)OCCCSCCCC1CO1 62a_100000733510_200135323944 [0,0,0,1,0,0|2,1,0]=4 8884 B14R1.6388 CC(=S)OCCCSCCCC1CO1 62a_200135323944_100000733510 [0,0,0,1,0,0|2,1,0]=4 8885 B14R1.6388 NC(=O)CCCCCNCCC1CC1 34a_100000764129_100009817443 [0,0,0,1,0,0|3,0,0]=4 8886 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000123541_100000694398 [0,0,0,1,0,0|3,0,0]=4 8887 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000754188_100009817443 [0,0,0,1,0,0|3,0,0]=4 8888 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000123541_100000764125 [0,0,0,1,0,0|3,0,0]=4 8889 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000754188_100009817443 [0,0,0,1,0,0|3,0,0]=4 8890 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100000764125_100009817443 [0,0,0,1,0,0|3,0,0]=4 8891 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100009817443_100000764125 [0,0,0,1,0,0|3,0,0]=4 8892 B14R1.6388 O=C([O-])CCCCCOCCC1CC1 7a_100102619762_100000764125 [0,0,0,1,0,0|3,0,0]=4 8893 B14R1.6388 O=[N+]([O-])OCCCCNCCC1CC1 34a_100000764129_100015694321 [0,0,0,1,0,0|3,0,0]=4 8894 B14R1.6388 O=[N+]([O-])OCCCCOCCC1CC1 34a_100000754188_100015694321 [0,0,0,1,0,0|3,0,0]=4 8895 B14R1.6388 O=[N+]([O-])OCCCCOCCC1CC1 7a_100000754188_100015694321 [0,0,0,1,0,0|3,0,0]=4 8896 B14R1.6388 O=[N+]([O-])OCCCCSCCC1CC1 62a_100000764125_100015694321 [0,0,0,1,0,0|3,0,0]=4 8897 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [2,0,0,0,0,0|0,0,2]=4 8898 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [2,0,0,0,0,0|0,0,2]=4 8899 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [2,0,0,0,0,0|0,0,2]=4 8900 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [2,0,0,0,0,0|0,0,2]=4 8901 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [2,0,0,0,0,0|1,0,1]=4 8902 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [2,0,0,0,0,0|1,0,1]=4 8903 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [2,0,0,0,0,0|1,0,1]=4 8904 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [2,0,0,0,0,0|1,0,1]=4 8905 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [2,0,0,0,0,0|1,0,1]=4 8906 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [2,0,0,0,0,0|1,0,1]=4 8907 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [2,0,0,0,0,0|1,0,1]=4 8908 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [2,0,0,0,0,0|1,0,1]=4 8909 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [2,0,0,0,0,0|1,0,1]=4 8910 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [2,0,0,0,0,0|0,0,2]=4 8911 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [2,0,0,0,0,0|0,0,2]=4 8912 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [2,0,0,0,0,0|0,0,2]=4 8913 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [2,0,0,0,0,0|0,0,2]=4 8914 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [2,0,0,0,0,0|0,0,2]=4 8915 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [2,0,0,0,0,0|1,0,1]=4 8916 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [2,0,0,0,0,0|1,0,1]=4 8917 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [2,0,0,0,0,0|1,0,1]=4 8918 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [2,0,0,0,0,0|1,0,1]=4 8919 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [2,0,0,0,0,0|1,0,1]=4 8920 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [2,0,0,0,0,0|1,0,1]=4 8921 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [2,0,0,0,0,0|1,0,1]=4 8922 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [2,0,0,0,0,0|1,0,1]=4 8923 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [2,0,0,0,0,0|1,0,1]=4 8924 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [2,0,0,0,0,0|1,0,1]=4 8925 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [2,0,0,0,0,0|1,0,1]=4 8926 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [2,0,0,0,0,0|1,0,1]=4 8927 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [2,0,0,0,0,0|1,0,1]=4 8928 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [2,0,0,0,0,0|1,0,1]=4 8929 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [2,0,0,0,0,0|1,0,1]=4 8930 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [2,0,0,0,0,0|1,0,1]=4 8931 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [2,0,0,0,0,0|1,0,1]=4 8932 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [2,0,0,0,0,0|1,0,1]=4 8933 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [2,0,0,0,0,0|1,0,1]=4 8934 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [2,0,0,0,0,0|1,0,1]=4 8935 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [2,0,0,0,0,0|1,0,1]=4 8936 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [2,0,0,0,0,0|1,0,1]=4 8937 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [2,0,0,0,0,0|1,0,1]=4 8938 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [2,0,0,0,0,0|1,0,1]=4 8939 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [2,0,0,0,0,0|1,0,1]=4 8940 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [2,0,0,0,0,0|1,0,1]=4 8941 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [2,0,0,0,0,0|1,0,1]=4 8942 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [2,0,0,0,0,0|1,0,1]=4 8943 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [2,0,0,0,0,0|1,0,1]=4 8944 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [2,0,0,0,0,0|1,0,1]=4 8945 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [2,0,0,0,0,0|1,0,1]=4 8946 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [2,0,0,0,0,0|1,0,1]=4 8947 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [2,0,0,0,0,0|1,0,1]=4 8948 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [2,0,0,0,0,0|1,0,1]=4 8949 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [2,0,0,0,0,0|1,0,1]=4 8950 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [2,0,0,0,0,0|1,0,1]=4 8951 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [2,0,0,0,0,0|1,0,1]=4 8952 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [2,0,0,0,0,0|1,0,1]=4 8953 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [2,0,0,0,0,0|1,0,1]=4 8954 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [2,0,0,0,0,0|1,0,1]=4 8955 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [2,0,0,0,0,0|1,0,1]=4 8956 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [2,0,0,0,0,0|1,0,1]=4 8957 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [2,0,0,0,0,0|1,0,1]=4 8958 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [2,0,0,0,0,0|1,0,1]=4 8959 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [2,0,0,0,0,0|1,0,1]=4 8960 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [2,0,0,0,0,0|1,0,1]=4 8961 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [2,0,0,0,0,0|1,0,1]=4 8962 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [2,0,0,0,0,0|1,0,1]=4 8963 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [2,0,0,0,0,0|1,0,1]=4 8964 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [2,0,0,0,0,0|1,0,1]=4 8965 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [2,0,0,0,0,0|1,0,1]=4 8966 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [2,0,0,0,0,0|1,0,1]=4 8967 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [2,0,0,0,0,0|1,0,1]=4 8968 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [2,0,0,0,0,0|1,0,1]=4 8969 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [2,0,0,0,0,0|1,0,1]=4 8970 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [2,0,0,0,0,0|1,0,1]=4 8971 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [2,0,0,0,0,0|1,0,1]=4 8972 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [2,0,0,0,0,0|1,0,1]=4 8973 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [2,0,0,0,0,0|1,0,1]=4 8974 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [2,0,0,0,0,0|1,0,1]=4 8975 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [2,0,0,0,0,0|1,0,1]=4 8976 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [2,0,0,0,0,0|1,0,1]=4 8977 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [2,0,0,0,0,0|1,0,1]=4 8978 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [2,0,0,0,0,0|1,0,1]=4 8979 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [2,0,0,0,0,0|1,0,1]=4 8980 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [2,0,0,0,0,0|1,0,1]=4 8981 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [2,0,0,0,0,0|1,0,1]=4 8982 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [2,0,0,0,0,0|1,0,1]=4 8983 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [2,0,0,0,0,0|1,0,1]=4 8984 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [2,0,0,0,0,0|1,0,1]=4 8985 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [2,0,0,0,0,0|1,0,1]=4 8986 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [2,0,0,0,0,0|1,0,1]=4 8987 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [2,0,0,0,0,0|0,0,2]=4 8988 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [2,0,0,0,0,0|0,0,2]=4 8989 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [2,0,0,0,0,0|0,0,2]=4 8990 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [2,0,0,0,0,0|0,0,2]=4 8991 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [2,0,0,0,0,0|0,0,2]=4 8992 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [2,0,0,0,0,0|0,0,2]=4 8993 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [2,0,0,0,0,0|0,0,2]=4 8994 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [2,0,0,0,0,0|0,0,2]=4 8995 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [2,0,0,0,0,0|0,0,2]=4 8996 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [2,0,0,0,0,0|0,0,2]=4 8997 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [2,0,0,0,0,0|0,0,2]=4 8998 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [2,0,0,0,0,0|0,0,2]=4 8999 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [2,0,0,0,0,0|0,0,2]=4 9000 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [2,0,0,0,0,0|0,0,2]=4 9001 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [2,0,0,0,0,0|0,0,2]=4 9002 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [2,0,0,0,0,0|0,0,2]=4 9003 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [2,0,0,0,0,0|0,0,2]=4 9004 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [2,0,0,0,0,0|0,0,2]=4 9005 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [2,0,0,0,0,0|0,0,2]=4 9006 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [2,0,0,0,0,0|0,0,2]=4 9007 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [2,0,0,0,0,0|0,0,2]=4 9008 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [2,0,0,0,0,0|1,0,0]=3 9009 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [2,0,0,0,0,0|1,0,0]=3 9010 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [2,0,0,0,0,0|1,0,0]=3 9011 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [2,0,0,0,0,0|1,0,0]=3 9012 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [2,0,0,0,0,0|1,0,0]=3 9013 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [2,0,0,0,0,0|1,0,0]=3 9014 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [2,0,0,0,0,0|1,0,0]=3 9015 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [2,0,0,0,0,0|0,0,0]=2 9016 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [2,0,0,0,0,0|0,0,0]=2 9017 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [2,0,0,0,0,0|0,0,0]=2 9018 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [2,0,0,0,0,0|0,0,0]=2 9019 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [2,0,0,0,0,0|0,0,0]=2 9020 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [2,0,0,0,0,0|0,1,0]=3 9021 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [2,0,0,0,0,0|0,1,0]=3 9022 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [2,0,0,0,0,0|1,0,1]=4 9023 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [2,0,0,0,0,0|1,0,1]=4 9024 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [2,0,0,0,0,0|1,0,1]=4 9025 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [2,0,0,0,0,0|0,0,1]=3 9026 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [2,0,0,0,0,0|0,0,1]=3 9027 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [2,0,0,0,0,0|0,0,1]=3 9028 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [2,0,0,0,0,0|1,0,1]=4 9029 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [2,0,0,0,0,0|1,0,1]=4 9030 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [2,0,0,0,0,0|0,1,1]=4 9031 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [2,0,0,0,0,0|1,0,0]=3 9032 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [2,0,0,0,0,0|1,0,0]=3 9033 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [2,0,0,0,0,0|1,0,1]=4 9034 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [2,0,0,0,0,0|1,0,1]=4 9035 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [2,0,0,0,0,0|1,0,0]=3 9036 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [2,0,0,0,0,0|1,1,0]=4 9037 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [2,0,0,0,0,0|1,1,0]=4 9038 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [2,0,0,0,0,0|1,0,0]=3 9039 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [2,0,0,0,0,0|1,0,0]=3 9040 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [2,0,0,0,0,0|1,0,1]=4 9041 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [2,0,0,0,0,0|1,0,1]=4 9042 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [2,0,0,0,0,0|1,0,1]=4 9043 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [2,0,0,0,0,0|1,1,0]=4 9044 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [2,0,0,0,0,0|1,0,0]=3 9045 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [2,0,0,0,0,0|1,0,0]=3 9046 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [2,0,0,0,0,0|1,0,1]=4 9047 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [2,0,0,0,0,0|1,0,1]=4 9048 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [2,0,0,0,0,0|1,0,0]=3 9049 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [2,0,0,0,0,0|1,0,0]=3 9050 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [2,0,0,0,0,0|1,1,0]=4 9051 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [2,0,0,0,0,0|1,1,0]=4 9052 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [2,0,0,0,0,0|1,0,1]=4 9053 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [2,0,0,0,0,0|1,0,1]=4 9054 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [2,0,0,0,0,0|1,0,1]=4 9055 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [2,0,0,0,0,0|1,0,0]=3 9056 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [2,0,0,0,0,0|1,0,0]=3 9057 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [2,0,0,0,0,0|1,1,0]=4 9058 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [2,0,0,0,0,0|1,1,0]=4 9059 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [2,0,0,0,0,0|1,0,1]=4 9060 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [2,0,0,0,0,0|1,0,1]=4 9061 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [2,0,0,0,0,0|1,0,1]=4 9062 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [2,0,0,0,0,0|1,0,1]=4 9063 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [2,0,0,0,0,0|1,0,0]=3 9064 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [2,0,0,0,0,0|1,0,0]=3 9065 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [2,0,0,0,0,0|1,0,0]=3 9066 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [2,0,0,0,0,0|2,0,0]=4 9067 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [2,0,0,0,0,0|1,1,0]=4 9068 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [2,0,0,0,0,0|1,1,0]=4 9069 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [2,0,0,0,0,0|1,1,0]=4 9070 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [2,0,0,0,0,0|1,1,0]=4 9071 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [2,0,0,0,0,0|1,0,1]=4 9072 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [2,0,0,0,0,0|1,0,1]=4 9073 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [2,0,0,0,0,0|1,0,0]=3 9074 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [2,0,0,0,0,0|1,0,0]=3 9075 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [2,0,0,0,0,0|1,1,0]=4 9076 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [2,0,0,0,0,0|1,1,0]=4 9077 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [2,0,0,0,0,0|1,0,1]=4 9078 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [2,0,0,0,0,0|1,0,1]=4 9079 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [2,0,0,0,0,0|1,0,0]=3 9080 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [2,0,0,0,0,0|1,0,1]=4 9081 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [2,0,0,0,0,0|1,0,1]=4 9082 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [2,0,0,0,0,0|1,0,0]=3 9083 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [2,0,0,0,0,0|1,0,0]=3 9084 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [2,0,0,0,0,0|1,1,0]=4 9085 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [2,0,0,0,0,0|1,0,1]=4 9086 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [2,0,0,0,0,0|1,0,1]=4 9087 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [2,0,0,0,0,0|1,0,1]=4 9088 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [2,0,0,0,0,0|1,0,0]=3 9089 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [2,0,0,0,0,0|1,0,1]=4 9090 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [2,0,0,0,0,0|1,0,1]=4 9091 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [2,0,0,0,0,0|1,0,1]=4 9092 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [2,0,0,0,0,0|1,0,1]=4 9093 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [2,0,0,0,0,0|2,0,0]=4 9094 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [2,0,0,0,0,0|1,0,0]=3 9095 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [2,0,0,0,0,0|1,0,0]=3 9096 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [2,0,0,0,0,0|1,0,0]=3 9097 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [2,0,0,0,0,0|1,1,0]=4 9098 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [2,0,0,0,0,0|1,1,0]=4 9099 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [2,0,0,0,0,0|1,0,1]=4 9100 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [2,0,0,0,0,0|1,0,1]=4 9101 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [2,0,0,0,0,0|1,0,1]=4 9102 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [2,0,0,0,0,0|1,0,1]=4 9103 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [2,0,0,0,0,0|1,0,1]=4 9104 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [2,0,0,0,0,0|1,0,1]=4 9105 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [2,0,0,0,0,0|1,0,0]=3 9106 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [2,0,0,0,0,0|1,0,0]=3 9107 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [2,0,0,0,0,0|1,0,1]=4 9108 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [2,0,0,0,0,0|1,0,1]=4 9109 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [2,0,0,0,0,0|1,0,0]=3 9110 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [2,0,0,0,0,0|1,0,0]=3 9111 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [2,0,0,0,0,0|1,0,1]=4 9112 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [2,0,0,0,0,0|1,0,1]=4 9113 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [2,0,0,0,0,0|1,0,0]=3 9114 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [2,0,0,0,0,0|1,0,0]=3 9115 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [2,0,0,0,0,0|1,0,1]=4 9116 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [2,0,0,0,0,0|1,0,1]=4 9117 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [2,0,0,0,0,0|1,0,1]=4 9118 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [2,0,0,0,0,0|2,0,0]=4 9119 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [2,0,0,0,0,0|2,0,0]=4 9120 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [2,0,0,0,0,0|1,0,0]=3 9121 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [2,0,0,0,0,0|1,0,0]=3 9122 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [2,0,0,0,0,0|1,0,0]=3 9123 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [2,0,0,0,0,0|1,0,0]=3 9124 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [2,0,0,0,0,0|1,1,0]=4 9125 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [2,0,0,0,0,0|1,1,0]=4 9126 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [2,0,0,0,0,0|1,0,1]=4 9127 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [2,0,0,0,0,0|1,0,1]=4 9128 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [2,0,0,0,0,0|1,0,1]=4 9129 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [2,0,0,0,0,0|1,0,1]=4 9130 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [2,0,0,0,0,0|2,0,0]=4 9131 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [2,0,0,0,0,0|2,0,0]=4 9132 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [2,0,0,0,0,0|1,0,0]=3 9133 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [2,0,0,0,0,0|1,0,0]=3 9134 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [2,0,0,0,0,0|1,0,0]=3 9135 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [2,0,0,0,0,0|1,0,0]=3 9136 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [2,0,0,0,0,0|1,0,1]=4 9137 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [2,0,0,0,0,0|1,0,1]=4 9138 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [2,0,0,0,0,0|2,0,0]=4 9139 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [2,0,0,0,0,0|2,0,0]=4 9140 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [2,0,0,0,0,0|1,0,0]=3 9141 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [2,0,0,0,0,0|1,0,0]=3 9142 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [2,0,0,0,0,0|1,0,0]=3 9143 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [2,0,0,0,0,0|1,0,0]=3 9144 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [2,0,0,0,0,0|1,0,1]=4 9145 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [2,0,0,0,0,0|2,0,0]=4 9146 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [2,0,0,0,0,0|2,0,0]=4 9147 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [2,0,0,0,0,0|2,0,0]=4 9148 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [2,0,0,0,0,0|2,0,0]=4 9149 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [2,0,0,0,0,0|1,0,0]=3 9150 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [2,0,0,0,0,0|2,0,0]=4 9151 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [2,0,0,0,0,0|1,0,1]=4 9152 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [2,0,0,0,0,0|1,0,1]=4 9153 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [2,0,0,0,0,0|2,0,0]=4 9154 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [2,0,0,0,0,0|2,0,0]=4 9155 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [2,0,0,0,0,0|2,0,0]=4 9156 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [2,0,0,0,0,0|2,0,0]=4 9157 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [2,0,0,0,0,0|2,0,0]=4 9158 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [2,0,0,0,0,0|2,0,0]=4 9159 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [2,0,0,0,0,0|2,0,0]=4 9160 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [2,0,0,0,0,0|2,0,0]=4 9161 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [2,0,0,0,0,0|2,0,0]=4 9162 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [2,0,0,0,0,0|2,0,0]=4 9163 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [2,0,0,0,0,0|2,0,0]=4 9164 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [2,0,0,0,0,0|2,0,0]=4 9165 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [2,0,0,0,0,0|2,0,0]=4 9166 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [2,0,0,0,0,0|2,0,0]=4 9167 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [2,0,0,0,0,0|2,0,0]=4 9168 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [2,0,0,0,0,0|2,0,0]=4 9169 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [2,0,0,0,0,0|2,0,0]=4 9170 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [2,0,0,0,0,0|2,0,0]=4 9171 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [2,0,0,0,0,0|2,0,0]=4 9172 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [2,0,0,0,0,0|2,0,0]=4 9173 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [2,0,0,0,0,0|2,0,0]=4 9174 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [2,0,0,0,0,0|2,0,0]=4 9175 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [2,0,0,0,0,0|2,0,0]=4 9176 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [2,0,0,0,0,0|2,0,0]=4 9177 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [2,0,0,0,0,0|2,0,0]=4 9178 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [2,0,0,0,0,0|1,0,0]=3 9179 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [2,0,0,0,0,0|1,0,0]=3 9180 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [2,0,0,0,0,0|2,0,0]=4 9181 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [2,0,0,0,0,0|2,0,0]=4 9182 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [2,0,0,0,0,0|2,0,0]=4 9183 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [2,0,0,0,0,0|2,0,0]=4 9184 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [2,0,0,0,0,0|2,0,0]=4 9185 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [2,0,0,0,0,0|2,0,0]=4 9186 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [2,0,0,0,0,0|2,0,0]=4 9187 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [2,0,0,0,0,0|1,0,0]=3 9188 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [2,0,0,0,0,0|1,0,0]=3 9189 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [2,0,0,0,0,0|1,0,0]=3 9190 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [2,0,0,0,0,0|2,0,0]=4 9191 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [2,0,0,0,0,0|2,0,0]=4 9192 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [2,0,0,0,0,0|2,0,0]=4 9193 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [2,0,0,0,0,0|2,0,0]=4 9194 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [2,0,0,0,0,0|2,0,0]=4 9195 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [2,0,0,0,0,0|2,0,0]=4 9196 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [2,0,0,0,0,0|2,0,0]=4 9197 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [2,0,0,0,0,0|2,0,0]=4 9198 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [2,0,0,0,0,0|2,0,0]=4 9199 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [2,0,0,0,0,0|2,0,0]=4 9200 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [2,0,0,0,0,0|2,0,0]=4 9201 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [2,0,0,0,0,0|2,0,0]=4 9202 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [2,0,0,0,0,0|2,0,0]=4 9203 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [2,0,0,0,0,0|2,0,0]=4 9204 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [2,0,0,0,0,0|2,0,0]=4 9205 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [2,0,0,0,0,0|1,0,0]=3 9206 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [2,0,0,0,0,0|1,0,0]=3 9207 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [2,0,0,0,0,0|2,0,0]=4 9208 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [2,0,0,0,0,0|2,0,0]=4 9209 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [2,0,0,0,0,0|2,0,0]=4 9210 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [2,0,0,0,0,0|2,0,0]=4 9211 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [2,0,0,0,0,0|2,0,0]=4 9212 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [2,0,0,0,0,0|2,0,0]=4 9213 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [2,0,0,0,0,0|2,0,0]=4 9214 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [2,0,0,0,0,0|1,0,1]=4 9215 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [2,0,0,0,0,0|1,0,1]=4 9216 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [2,0,0,0,0,0|1,0,1]=4 9217 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [2,0,0,0,0,0|1,0,1]=4 9218 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [2,0,0,0,0,0|1,0,1]=4 9219 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [2,0,0,0,0,0|1,0,1]=4 9220 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [2,0,0,0,0,0|2,0,0]=4 9221 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [2,0,0,0,0,0|2,0,0]=4 9222 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [2,0,0,0,0,0|2,0,0]=4 9223 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [2,0,0,0,0,0|2,0,0]=4 9224 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [2,0,0,0,0,0|2,0,0]=4 9225 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [2,0,0,0,0,0|2,0,0]=4 9226 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [2,0,0,0,0,0|2,0,0]=4 9227 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [2,0,0,0,0,0|2,0,0]=4 9228 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [2,0,0,0,0,0|2,0,0]=4 9229 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [2,0,0,0,0,0|2,0,0]=4 9230 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [2,0,0,0,0,0|2,0,0]=4 9231 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [2,0,0,0,0,0|2,0,0]=4 9232 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [2,0,0,0,0,0|2,0,0]=4 9233 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [2,0,0,0,0,0|2,0,0]=4 9234 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [2,0,0,0,0,0|2,0,0]=4 9235 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [2,0,0,0,0,0|2,0,0]=4 9236 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [2,0,0,0,0,0|2,0,0]=4 9237 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [2,0,0,0,0,0|2,0,0]=4 9238 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [2,0,0,0,0,0|2,0,0]=4 9239 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [2,0,0,0,0,0|2,0,0]=4 9240 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [2,0,0,0,0,0|2,0,0]=4 9241 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [2,0,0,0,0,0|2,0,0]=4 9242 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [2,0,0,0,0,0|2,0,0]=4 9243 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [2,0,0,0,0,0|2,0,0]=4 9244 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [2,0,0,0,0,0|2,0,0]=4 9245 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [2,0,0,0,0,0|2,0,0]=4 9246 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [2,0,0,0,0,0|2,0,0]=4 9247 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [2,0,0,0,0,0|2,0,0]=4 9248 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [2,0,0,0,0,0|2,0,0]=4 9249 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [2,0,0,0,0,0|2,0,0]=4 9250 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [2,0,0,0,0,0|2,0,0]=4 9251 B11R0.3 CCSCCNCCCCOC 2230a_100000106463_100000730899 [2,0,0,0,0,0|2,0,0]=4 9252 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [2,0,0,0,0,0|2,0,0]=4 9253 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [2,0,0,0,0,0|2,0,0]=4 9254 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [2,0,0,0,0,0|2,0,0]=4 9255 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [2,0,0,0,0,0|2,0,0]=4 9256 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [2,0,0,0,0,0|2,0,0]=4 9257 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [2,0,0,0,0,0|2,0,0]=4 9258 B11R0.3 CCSCCSCCCCOC 62a_100000730899_100000757381 [2,0,0,0,0,0|2,0,0]=4 9259 B11R0.3 CCSCCSCCCCOC 62a_100000757381_100000730899 [2,0,0,0,0,0|2,0,0]=4 9260 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [2,0,0,0,0,0|2,0,0]=4 9261 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [2,0,0,0,0,0|2,0,0]=4 9262 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [2,0,0,0,0,0|2,0,0]=4 9263 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [2,0,0,0,0,0|2,0,0]=4 9264 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [2,0,0,0,0,0|2,0,0]=4 9265 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [2,0,0,0,0,0|2,0,0]=4 9266 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [2,0,0,0,0,0|2,0,0]=4 9267 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [2,0,0,0,0,0|1,0,0]=3 9268 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [2,0,0,0,0,0|1,0,0]=3 9269 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [2,0,0,0,0,0|1,0,0]=3 9270 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [2,0,0,0,0,0|1,0,0]=3 9271 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [2,0,0,0,0,0|1,0,0]=3 9272 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [2,0,0,0,0,0|1,0,0]=3 9273 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [2,0,0,0,0,0|2,0,0]=4 9274 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [2,0,0,0,0,0|2,0,0]=4 9275 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [2,0,0,0,0,0|2,0,0]=4 9276 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [2,0,0,0,0,0|2,0,0]=4 9277 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [2,0,0,0,0,0|2,0,0]=4 9278 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [2,0,0,0,0,0|2,0,0]=4 9279 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [2,0,0,0,0,0|2,0,0]=4 9280 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [2,0,0,0,0,0|2,0,0]=4 9281 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [2,0,0,0,0,0|2,0,0]=4 9282 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [2,0,0,0,0,0|2,0,0]=4 9283 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [2,0,0,0,0,0|2,0,0]=4 9284 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [2,0,0,0,0,0|2,0,0]=4 9285 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [2,0,0,0,0,0|2,0,0]=4 9286 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [2,0,0,0,0,0|2,0,0]=4 9287 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [2,0,0,0,0,0|2,0,0]=4 9288 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [2,0,0,0,0,0|2,0,0]=4 9289 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [2,0,0,0,0,0|2,0,0]=4 9290 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [2,0,0,0,0,0|2,0,0]=4 9291 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [2,0,0,0,0,0|2,0,0]=4 9292 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [2,0,0,0,0,0|2,0,0]=4 9293 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [2,0,0,0,0,0|2,0,0]=4 9294 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [2,0,0,0,0,0|2,0,0]=4 9295 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [2,0,0,0,0,0|2,0,0]=4 9296 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [2,0,0,0,0,0|2,0,0]=4 9297 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [2,0,0,0,0,0|2,0,0]=4 9298 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [2,0,0,0,0,0|2,0,0]=4 9299 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [2,0,0,0,0,0|2,0,0]=4 9300 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [2,0,0,0,0,0|2,0,0]=4 9301 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [2,0,0,0,0,0|2,0,0]=4 9302 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [2,0,0,0,0,0|2,0,0]=4 9303 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [2,0,0,0,0,0|2,0,0]=4 9304 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [2,0,0,0,0,0|2,0,0]=4 9305 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [2,0,0,0,0,0|2,0,0]=4 9306 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [2,0,0,0,0,0|2,0,0]=4 9307 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [2,0,0,0,0,0|2,0,0]=4 9308 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [2,0,0,0,0,0|2,0,0]=4 9309 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [2,0,0,0,0,0|2,0,0]=4 9310 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [2,0,0,0,0,0|2,0,0]=4 9311 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [2,0,0,0,0,0|2,0,0]=4 9312 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [2,0,0,0,0,0|2,0,0]=4 9313 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [2,0,0,0,0,0|2,0,0]=4 9314 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [2,0,0,0,0,0|2,0,0]=4 9315 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [2,0,0,0,0,0|2,0,0]=4 9316 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [2,0,0,0,0,0|2,0,0]=4 9317 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [2,0,0,0,0,0|2,0,0]=4 9318 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [2,0,0,0,0,0|2,0,0]=4 9319 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [2,0,0,0,0,0|2,0,0]=4 9320 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [2,0,0,0,0,0|2,0,0]=4 9321 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [2,0,0,0,0,0|2,0,0]=4 9322 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [2,0,0,0,0,0|2,0,0]=4 9323 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [2,0,0,0,0,0|2,0,0]=4 9324 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [2,0,0,0,0,0|2,0,0]=4 9325 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [2,0,0,0,0,0|2,0,0]=4 9326 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [2,0,0,0,0,0|2,0,0]=4 9327 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [2,0,0,0,0,0|2,0,0]=4 9328 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [2,0,0,0,0,0|2,0,0]=4 9329 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [2,0,0,0,0,0|2,0,0]=4 9330 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [2,0,0,0,0,0|2,0,0]=4 9331 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [2,0,0,0,0,0|2,0,0]=4 9332 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [2,0,0,0,0,0|2,0,0]=4 9333 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [2,0,0,0,0,0|2,0,0]=4 9334 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [2,0,0,0,0,0|2,0,0]=4 9335 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [2,0,0,0,0,0|2,0,0]=4 9336 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [2,0,0,0,0,0|2,0,0]=4 9337 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [2,0,0,0,0,0|2,0,0]=4 9338 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [2,0,0,0,0,0|2,0,0]=4 9339 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [2,0,0,0,0,0|2,0,0]=4 9340 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [2,0,0,0,0,0|2,0,0]=4 9341 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [2,0,0,0,0,0|2,0,0]=4 9342 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [2,0,0,0,0,0|2,0,0]=4 9343 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [2,0,0,0,0,0|2,0,0]=4 9344 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [2,0,0,0,0,0|2,0,0]=4 9345 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [2,0,0,0,0,0|2,0,0]=4 9346 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [2,0,0,0,0,0|2,0,0]=4 9347 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [2,0,0,0,0,0|2,0,0]=4 9348 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [2,0,0,0,0,0|2,0,0]=4 9349 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [2,0,0,0,0,0|2,0,0]=4 9350 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [2,0,0,0,0,0|2,0,0]=4 9351 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [2,0,0,0,0,0|2,0,0]=4 9352 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [2,0,0,0,0,0|2,0,0]=4 9353 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [2,0,0,0,0,0|2,0,0]=4 9354 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [2,0,0,0,0,0|2,0,0]=4 9355 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [2,0,0,0,0,0|2,0,0]=4 9356 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [2,0,0,0,0,0|2,0,0]=4 9357 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [2,0,0,0,0,0|2,0,0]=4 9358 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [2,0,0,0,0,0|2,0,0]=4 9359 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [2,0,0,0,0,0|2,0,0]=4 9360 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [2,0,0,0,0,0|2,0,0]=4 9361 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [2,0,0,0,0,0|2,0,0]=4 9362 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [2,0,0,0,0,0|2,0,0]=4 9363 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [2,0,0,0,0,0|2,0,0]=4 9364 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [2,0,0,0,0,0|2,0,0]=4 9365 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [2,0,0,0,0,0|2,0,0]=4 9366 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [2,0,0,0,0,0|2,0,0]=4 9367 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [2,0,0,0,0,0|2,0,0]=4 9368 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [2,0,0,0,0,0|2,0,0]=4 9369 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [2,0,0,0,0,0|2,0,0]=4 9370 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [2,0,0,0,0,0|2,0,0]=4 9371 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [2,0,0,0,0,0|2,0,0]=4 9372 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [2,0,0,0,0,0|1,1,0]=4 9373 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [2,0,0,0,0,0|1,1,0]=4 9374 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [2,0,0,0,0,0|2,0,0]=4 9375 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [2,0,0,0,0,0|2,0,0]=4 9376 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [2,0,0,0,0,0|2,0,0]=4 9377 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [2,0,0,0,0,0|2,0,0]=4 9378 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [2,0,0,0,0,0|2,0,0]=4 9379 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [2,0,0,0,0,0|2,0,0]=4 9380 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [2,0,0,0,0,0|2,0,0]=4 9381 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [2,0,0,0,0,0|2,0,0]=4 9382 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [2,0,0,0,0,0|2,0,0]=4 9383 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [2,0,0,0,0,0|2,0,0]=4 9384 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [2,0,0,0,0,0|2,0,0]=4 9385 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [2,0,0,0,0,0|2,0,0]=4 9386 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [2,0,0,0,0,0|2,0,0]=4 9387 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [2,0,0,0,0,0|2,0,0]=4 9388 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [2,0,0,0,0,0|2,0,0]=4 9389 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [2,0,0,0,0,0|2,0,0]=4 9390 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [2,0,0,0,0,0|2,0,0]=4 9391 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [2,0,0,0,0,0|2,0,0]=4 9392 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [2,0,0,0,0,0|2,0,0]=4 9393 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [2,0,0,0,0,0|2,0,0]=4 9394 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [2,0,0,0,0,0|2,0,0]=4 9395 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [2,0,0,0,0,0|2,0,0]=4 9396 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [2,0,0,0,0,0|2,0,0]=4 9397 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [2,0,0,0,0,0|2,0,0]=4 9398 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [2,0,0,0,0,0|2,0,0]=4 9399 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [2,0,0,0,0,0|2,0,0]=4 9400 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [2,0,0,0,0,0|2,0,0]=4 9401 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [2,0,0,0,0,0|2,0,0]=4 9402 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [2,0,0,0,0,0|2,0,0]=4 9403 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [2,0,0,0,0,0|2,0,0]=4 9404 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [2,0,0,0,0,0|2,0,0]=4 9405 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [2,0,0,0,0,0|2,0,0]=4 9406 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [2,0,0,0,0,0|2,0,0]=4 9407 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [2,0,0,0,0,0|2,0,0]=4 9408 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [2,0,0,0,0,0|2,0,0]=4 9409 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [2,0,0,0,0,0|2,0,0]=4 9410 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [2,0,0,0,0,0|1,0,0]=3 9411 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [2,0,0,0,0,0|1,0,0]=3 9412 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [2,0,0,0,0,0|1,0,0]=3 9413 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [2,0,0,0,0,0|1,0,0]=3 9414 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [2,0,0,0,0,0|1,0,0]=3 9415 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [2,0,0,0,0,0|1,1,0]=4 9416 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [2,0,0,0,0,0|1,1,0]=4 9417 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [2,0,0,0,0,0|0,0,2]=4 9418 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [2,0,0,0,0,0|0,0,2]=4 9419 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [2,0,0,0,0,0|0,0,2]=4 9420 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [2,0,0,0,0,0|2,0,0]=4 9421 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [2,0,0,0,0,0|2,0,0]=4 9422 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [2,0,0,0,0,0|2,0,0]=4 9423 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [2,0,0,0,0,0|2,0,0]=4 9424 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [2,0,0,0,0,0|2,0,0]=4 9425 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [2,0,0,0,0,0|2,0,0]=4 9426 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [2,0,0,0,0,0|2,0,0]=4 9427 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [2,0,0,0,0,0|2,0,0]=4 9428 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [2,0,0,0,0,0|2,0,0]=4 9429 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [2,0,0,0,0,0|2,0,0]=4 9430 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [2,0,0,0,0,0|2,0,0]=4 9431 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [2,0,0,0,0,0|2,0,0]=4 9432 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [2,0,0,0,0,0|0,0,2]=4 9433 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [2,0,0,0,0,0|0,0,2]=4 9434 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [2,0,0,0,0,0|0,0,2]=4 9435 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [2,0,0,0,0,0|1,0,0]=3 9436 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [2,0,0,0,0,0|2,0,0]=4 9437 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [2,0,0,0,0,0|2,0,0]=4 9438 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [2,0,0,0,0,0|2,0,0]=4 9439 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [2,0,0,0,0,0|2,0,0]=4 9440 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [2,0,0,0,0,0|2,0,0]=4 9441 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [2,0,0,0,0,0|2,0,0]=4 9442 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [2,0,0,0,0,0|2,0,0]=4 9443 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [2,0,0,0,0,0|2,0,0]=4 9444 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [2,0,0,0,0,0|2,0,0]=4 9445 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [2,0,0,0,0,0|2,0,0]=4 9446 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [2,0,0,0,0,0|2,0,0]=4 9447 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [2,0,0,0,0,0|2,0,0]=4 9448 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [2,0,0,0,0,0|2,0,0]=4 9449 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [2,0,0,0,0,0|2,0,0]=4 9450 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [2,0,0,0,0,0|2,0,0]=4 9451 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [2,0,0,0,0,0|2,0,0]=4 9452 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [2,0,0,0,0,0|2,0,0]=4 9453 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [2,0,0,0,0,0|2,0,0]=4 9454 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [2,0,0,0,0,0|2,0,0]=4 9455 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [2,0,0,0,0,0|2,0,0]=4 9456 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [2,0,0,0,0,0|2,0,0]=4 9457 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [2,0,0,0,0,0|2,0,0]=4 9458 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [2,0,0,0,0,0|2,0,0]=4 9459 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [2,0,0,0,0,0|2,0,0]=4 9460 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [2,0,0,0,0,0|2,0,0]=4 9461 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [2,0,0,0,0,0|2,0,0]=4 9462 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [2,0,0,0,0,0|2,0,0]=4 9463 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [2,0,0,0,0,0|2,0,0]=4 9464 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [2,0,0,0,0,0|2,0,0]=4 9465 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [2,0,0,0,0,0|2,0,0]=4 9466 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [2,0,0,0,0,0|2,0,0]=4 9467 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [2,0,0,0,0,0|2,0,0]=4 9468 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [2,0,0,0,0,0|2,0,0]=4 9469 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [2,0,0,0,0,0|2,0,0]=4 9470 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [2,0,0,0,0,0|2,0,0]=4 9471 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [2,0,0,0,0,0|2,0,0]=4 9472 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [2,0,0,0,0,0|2,0,0]=4 9473 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [2,0,0,0,0,0|2,0,0]=4 9474 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [2,0,0,0,0,0|2,0,0]=4 9475 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [2,0,0,0,0,0|2,0,0]=4 9476 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [2,0,0,0,0,0|2,0,0]=4 9477 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [2,0,0,0,0,0|2,0,0]=4 9478 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [2,0,0,0,0,0|2,0,0]=4 9479 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [2,0,0,0,0,0|2,0,0]=4 9480 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [2,0,0,0,0,0|2,0,0]=4 9481 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [2,0,0,0,0,0|2,0,0]=4 9482 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [2,0,0,0,0,0|2,0,0]=4 9483 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [2,0,0,0,0,0|2,0,0]=4 9484 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [2,0,0,0,0,0|2,0,0]=4 9485 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [2,0,0,0,0,0|2,0,0]=4 9486 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [2,0,0,0,0,0|2,0,0]=4 9487 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [2,0,0,0,0,0|2,0,0]=4 9488 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [2,0,0,0,0,0|2,0,0]=4 9489 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [2,0,0,0,0,0|2,0,0]=4 9490 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [2,0,0,0,0,0|2,0,0]=4 9491 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [2,0,0,0,0,0|2,0,0]=4 9492 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [2,0,0,0,0,0|2,0,0]=4 9493 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [2,0,0,0,0,0|2,0,0]=4 9494 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [2,0,0,0,0,0|2,0,0]=4 9495 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [2,0,0,0,0,0|2,0,0]=4 9496 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [2,0,0,0,0,0|2,0,0]=4 9497 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [2,0,0,0,0,0|2,0,0]=4 9498 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [2,0,0,0,0,0|2,0,0]=4 9499 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [2,0,0,0,0,0|2,0,0]=4 9500 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [2,0,0,0,0,0|2,0,0]=4 9501 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [2,0,0,0,0,0|2,0,0]=4 9502 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [2,0,0,0,0,0|2,0,0]=4 9503 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [2,0,0,0,0,0|2,0,0]=4 9504 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [2,0,0,0,0,0|2,0,0]=4 9505 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [2,0,0,0,0,0|2,0,0]=4 9506 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [2,0,0,0,0,0|2,0,0]=4 9507 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [2,0,0,0,0,0|2,0,0]=4 9508 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [2,0,0,0,0,0|2,0,0]=4 9509 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [2,0,0,0,0,0|2,0,0]=4 9510 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [2,0,0,0,0,0|2,0,0]=4 9511 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [2,0,0,0,0,0|2,0,0]=4 9512 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [2,0,0,0,0,0|2,0,0]=4 9513 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [2,0,0,0,0,0|2,0,0]=4 9514 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [2,0,0,0,0,0|2,0,0]=4 9515 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [2,0,0,0,0,0|2,0,0]=4 9516 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [2,0,0,0,0,0|2,0,0]=4 9517 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [2,0,0,0,0,0|2,0,0]=4 9518 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [2,0,0,0,0,0|2,0,0]=4 9519 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [2,0,0,0,0,0|2,0,0]=4 9520 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [2,0,0,0,0,0|2,0,0]=4 9521 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [2,0,0,0,0,0|0,0,2]=4 9522 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [2,0,0,0,0,0|0,0,2]=4 9523 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [2,0,0,0,0,0|0,0,2]=4 9524 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [2,0,0,0,0,0|0,0,2]=4 9525 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [2,0,0,0,0,0|0,0,2]=4 9526 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [2,0,0,0,0,0|0,0,2]=4 9527 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [2,0,0,0,0,0|0,0,2]=4 9528 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [2,0,0,0,0,0|0,0,0]=2 9529 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [2,0,0,0,0,0|0,0,0]=2 9530 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [2,0,0,0,0,0|0,0,0]=2 9531 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [2,0,0,0,0,0|2,0,0]=4 9532 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [2,0,0,0,0,0|2,0,0]=4 9533 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [2,0,0,0,0,0|2,0,0]=4 9534 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [2,0,0,0,0,0|2,0,0]=4 9535 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [2,0,0,0,0,0|2,0,0]=4 9536 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [2,0,0,0,0,0|2,0,0]=4 9537 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [2,0,0,0,0,0|1,0,0]=3 9538 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [2,0,0,0,0,0|1,0,0]=3 9539 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [2,0,0,0,0,0|1,0,0]=3 9540 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [2,0,0,0,0,0|1,0,0]=3 9541 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [2,0,0,0,0,0|1,0,1]=4 9542 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [2,0,0,0,0,0|1,0,1]=4 9543 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [2,0,0,0,0,0|1,0,1]=4 9544 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [2,0,0,0,0,0|2,0,0]=4 9545 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [2,0,0,0,0,0|2,0,0]=4 9546 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [2,0,0,0,0,0|2,0,0]=4 9547 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [2,0,0,0,0,0|1,0,0]=3 9548 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [2,0,0,0,0,0|2,0,0]=4 9549 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [2,0,0,0,0,0|2,0,0]=4 9550 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [2,0,0,0,0,0|2,0,0]=4 9551 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [2,0,0,0,0,0|2,0,0]=4 9552 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [2,0,0,0,0,0|2,0,0]=4 9553 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [2,0,0,0,0,0|2,0,0]=4 9554 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [2,0,0,0,0,0|2,0,0]=4 9555 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [2,0,0,0,0,0|2,0,0]=4 9556 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [2,0,0,0,0,0|1,0,0]=3 9557 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [2,0,0,0,0,0|1,0,0]=3 9558 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [2,0,0,0,0,0|1,0,0]=3 9559 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [2,0,0,0,0,0|2,0,0]=4 9560 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [2,0,0,0,0,0|2,0,0]=4 9561 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [2,0,0,0,0,0|2,0,0]=4 9562 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [2,0,0,0,0,0|2,0,0]=4 9563 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [2,0,0,0,0,0|1,0,0]=3 9564 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [2,0,0,0,0,0|1,0,0]=3 9565 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [2,0,0,0,0,0|1,0,0]=3 9566 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [2,0,0,0,0,0|2,0,0]=4 9567 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [2,0,0,0,0,0|2,0,0]=4 9568 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [2,0,0,0,0,0|1,0,0]=3 9569 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [2,0,0,0,0,0|1,0,0]=3 9570 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [2,0,0,0,0,0|2,0,0]=4 9571 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [2,0,0,0,0,0|2,0,0]=4 9572 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [2,0,0,0,0,0|2,0,0]=4 9573 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [2,0,0,0,0,0|2,0,0]=4 9574 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [2,0,0,0,0,0|1,0,0]=3 9575 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [2,0,0,0,0,0|1,0,0]=3 9576 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [2,0,0,0,0,0|1,0,0]=3 9577 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [2,0,0,0,0,0|1,0,0]=3 9578 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [2,0,0,0,0,0|2,0,0]=4 9579 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [2,0,0,0,0,0|2,0,0]=4 9580 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [2,0,0,0,0,0|2,0,0]=4 9581 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [2,0,0,0,0,0|2,0,0]=4 9582 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [2,0,0,0,0,0|1,0,0]=3 9583 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [2,0,0,0,0,0|1,0,0]=3 9584 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [2,0,0,0,0,0|2,0,0]=4 9585 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [2,0,0,0,0,0|2,0,0]=4 9586 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [2,0,0,0,0,0|2,0,0]=4 9587 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [2,0,0,0,0,0|1,0,0]=3 9588 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [2,0,0,0,0,0|1,0,0]=3 9589 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [2,0,0,0,0,0|2,0,0]=4 9590 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [2,0,0,0,0,0|2,0,0]=4 9591 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [2,0,0,0,0,0|2,0,0]=4 9592 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [2,0,0,0,0,0|2,0,0]=4 9593 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [2,0,0,0,0,0|1,0,0]=3 9594 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [2,0,0,0,0,0|1,0,0]=3 9595 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [2,0,0,0,0,0|2,0,0]=4 9596 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [2,0,0,0,0,0|2,0,0]=4 9597 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [2,0,0,0,0,0|1,0,0]=3 9598 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [2,0,0,0,0,0|2,0,0]=4 9599 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [2,0,0,0,0,0|2,0,0]=4 9600 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [2,0,0,0,0,0|1,0,0]=3 9601 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [2,0,0,0,0,0|1,1,0]=4 9602 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [2,0,0,0,0,0|1,1,0]=4 9603 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [2,0,0,0,0,0|1,1,0]=4 9604 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [2,0,0,0,0,0|1,1,0]=4 9605 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [2,0,0,0,0,0|1,0,0]=3 9606 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [2,0,0,0,0,0|1,0,0]=3 9607 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [2,0,0,0,0,0|2,0,0]=4 9608 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [2,0,0,0,0,0|2,0,0]=4 9609 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [2,0,0,0,0,0|2,0,0]=4 9610 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [2,0,0,0,0,0|2,0,0]=4 9611 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [2,0,0,0,0,0|2,0,0]=4 9612 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [2,0,0,0,0,0|2,0,0]=4 9613 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [2,0,0,0,0,0|1,0,0]=3 9614 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [2,0,0,0,0,0|1,0,0]=3 9615 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [2,0,0,0,0,0|1,1,0]=4 9616 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [2,0,0,0,0,0|1,1,0]=4 9617 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [2,0,0,0,0,0|1,1,0]=4 9618 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [2,0,0,0,0,0|1,1,0]=4 9619 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [2,0,0,0,0,0|2,0,0]=4 9620 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [2,0,0,0,0,0|2,0,0]=4 9621 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [2,0,0,0,0,0|2,0,0]=4 9622 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [2,0,0,0,0,0|2,0,0]=4 9623 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [2,0,0,0,0,0|2,0,0]=4 9624 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [2,0,0,0,0,0|2,0,0]=4 9625 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [2,0,0,0,0,0|2,0,0]=4 9626 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [2,0,0,0,0,0|2,0,0]=4 9627 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [2,0,0,0,0,0|1,0,0]=3 9628 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [2,0,0,0,0,0|1,0,0]=3 9629 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [2,0,0,0,0,0|1,0,0]=3 9630 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [2,0,0,0,0,0|1,0,0]=3 9631 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [2,0,0,0,0,0|1,1,0]=4 9632 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [2,0,0,0,0,0|1,1,0]=4 9633 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [2,0,0,0,0,0|1,1,0]=4 9634 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [2,0,0,0,0,0|1,1,0]=4 9635 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [2,0,0,0,0,0|2,0,0]=4 9636 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [2,0,0,0,0,0|2,0,0]=4 9637 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [2,0,0,0,0,0|2,0,0]=4 9638 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [2,0,0,0,0,0|2,0,0]=4 9639 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [2,0,0,0,0,0|2,0,0]=4 9640 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [2,0,0,0,0,0|2,0,0]=4 9641 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [2,0,0,0,0,0|1,0,0]=3 9642 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [2,0,0,0,0,0|1,0,0]=3 9643 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [2,0,0,0,0,0|1,0,0]=3 9644 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [2,0,0,0,0,0|1,1,0]=4 9645 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [2,0,0,0,0,0|2,0,0]=4 9646 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [2,0,0,0,0,0|2,0,0]=4 9647 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [2,0,0,0,0,0|2,0,0]=4 9648 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [2,0,0,0,0,0|2,0,0]=4 9649 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [2,0,0,0,0,0|2,0,0]=4 9650 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [2,0,0,0,0,0|2,0,0]=4 9651 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [2,0,0,0,0,0|2,0,0]=4 9652 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [2,0,0,0,0,0|2,0,0]=4 9653 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [2,0,0,0,0,0|2,0,0]=4 9654 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [2,0,0,0,0,0|2,0,0]=4 9655 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [2,0,0,0,0,0|2,0,0]=4 9656 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [2,0,0,0,0,0|2,0,0]=4 9657 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [2,0,0,0,0,0|1,0,0]=3 9658 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [2,0,0,0,0,0|1,0,0]=3 9659 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [2,0,0,0,0,0|1,1,0]=4 9660 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [2,0,0,0,0,0|1,1,0]=4 9661 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [2,0,0,0,0,0|2,0,0]=4 9662 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [2,0,0,0,0,0|2,0,0]=4 9663 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [2,0,0,0,0,0|2,0,0]=4 9664 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [2,0,0,0,0,0|2,0,0]=4 9665 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [2,0,0,0,0,0|2,0,0]=4 9666 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [2,0,0,0,0,0|2,0,0]=4 9667 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [2,0,0,0,0,0|1,0,0]=3 9668 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [2,0,0,0,0,0|2,0,0]=4 9669 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [2,0,0,0,0,0|1,0,0]=3 9670 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [2,0,0,0,0,0|2,0,0]=4 9671 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [2,0,0,0,0,0|2,0,0]=4 9672 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [2,0,0,0,0,0|2,0,0]=4 9673 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [2,0,0,0,0,0|2,0,0]=4 9674 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [2,0,0,0,0,0|2,0,0]=4 9675 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [2,0,0,0,0,0|2,0,0]=4 9676 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [2,0,0,0,0,0|2,0,0]=4 9677 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [2,0,0,0,0,0|2,0,0]=4 9678 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [2,0,0,0,0,0|2,0,0]=4 9679 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [2,0,0,0,0,0|2,0,0]=4 9680 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [2,0,0,0,0,0|2,0,0]=4 9681 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [2,0,0,0,0,0|2,0,0]=4 9682 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [2,0,0,0,0,0|2,0,0]=4 9683 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [2,0,0,0,0,0|2,0,0]=4 9684 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [2,0,0,0,0,0|2,0,0]=4 9685 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [2,0,0,0,0,0|2,0,0]=4 9686 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [2,0,0,0,0,0|2,0,0]=4 9687 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [2,0,0,0,0,0|2,0,0]=4 9688 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [2,0,0,0,0,0|2,0,0]=4 9689 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [2,0,0,0,0,0|2,0,0]=4 9690 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [2,0,0,0,0,0|2,0,0]=4 9691 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [2,0,0,0,0,0|2,0,0]=4 9692 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [2,0,0,0,0,0|2,0,0]=4 9693 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [2,0,0,0,0,0|2,0,0]=4 9694 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [2,0,0,0,0,0|2,0,0]=4 9695 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [2,0,0,0,0,0|2,0,0]=4 9696 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [2,0,0,0,0,0|1,0,0]=3 9697 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [2,0,0,0,0,0|1,0,0]=3 9698 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [2,0,0,0,0,0|2,0,0]=4 9699 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [2,0,0,0,0,0|2,0,0]=4 9700 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [2,0,0,0,0,0|2,0,0]=4 9701 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [2,0,0,0,0,0|2,0,0]=4 9702 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [2,0,0,0,0,0|2,0,0]=4 9703 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [2,0,0,0,0,0|2,0,0]=4 9704 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [2,0,0,0,0,0|2,0,0]=4 9705 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [2,0,0,0,0,0|2,0,0]=4 9706 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [2,0,0,0,0,0|2,0,0]=4 9707 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [2,0,0,0,0,0|2,0,0]=4 9708 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [2,0,0,0,0,0|2,0,0]=4 9709 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [2,0,0,0,0,0|2,0,0]=4 9710 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [2,0,0,0,0,0|2,0,0]=4 9711 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [2,0,0,0,0,0|2,0,0]=4 9712 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [2,0,0,0,0,0|2,0,0]=4 9713 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [2,0,0,0,0,0|2,0,0]=4 9714 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [2,0,0,0,0,0|2,0,0]=4 9715 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [2,0,0,0,0,0|2,0,0]=4 9716 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [2,0,0,0,0,0|2,0,0]=4 9717 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [2,0,0,0,0,0|2,0,0]=4 9718 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [2,0,0,0,0,0|2,0,0]=4 9719 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [2,0,0,0,0,0|2,0,0]=4 9720 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [2,0,0,0,0,0|2,0,0]=4 9721 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [2,0,0,0,0,0|2,0,0]=4 9722 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [2,0,0,0,0,0|2,0,0]=4 9723 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [2,0,0,0,0,0|2,0,0]=4 9724 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [2,0,0,0,0,0|2,0,0]=4 9725 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [2,0,0,0,0,0|2,0,0]=4 9726 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [2,0,0,0,0,0|2,0,0]=4 9727 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [2,0,0,0,0,0|2,0,0]=4 9728 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [2,0,0,0,0,0|2,0,0]=4 9729 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [2,0,0,0,0,0|2,0,0]=4 9730 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [2,0,0,0,0,0|2,0,0]=4 9731 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [2,0,0,0,0,0|2,0,0]=4 9732 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [2,0,0,0,0,0|2,0,0]=4 9733 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [2,0,0,0,0,0|2,0,0]=4 9734 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [2,0,0,0,0,0|2,0,0]=4 9735 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [2,0,0,0,0,0|2,0,0]=4 9736 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [2,0,0,0,0,0|2,0,0]=4 9737 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [2,0,0,0,0,0|2,0,0]=4 9738 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [2,0,0,0,0,0|2,0,0]=4 9739 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [2,0,0,0,0,0|2,0,0]=4 9740 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [2,0,0,0,0,0|2,0,0]=4 9741 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [2,0,0,0,0,0|2,0,0]=4 9742 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [2,0,0,0,0,0|2,0,0]=4 9743 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [2,0,0,0,0,0|2,0,0]=4 9744 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [2,0,0,0,0,0|2,0,0]=4 9745 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [2,0,0,0,0,0|2,0,0]=4 9746 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [2,0,0,0,0,0|2,0,0]=4 9747 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [2,0,0,0,0,0|2,0,0]=4 9748 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [2,0,0,0,0,0|2,0,0]=4 9749 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [2,0,0,0,0,0|2,0,0]=4 9750 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [2,0,0,0,0,0|2,0,0]=4 9751 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [2,0,0,0,0,0|2,0,0]=4 9752 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [2,0,0,0,0,0|2,0,0]=4 9753 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [2,0,0,0,0,0|2,0,0]=4 9754 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [2,0,0,0,0,0|2,0,0]=4 9755 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [2,0,0,0,0,0|2,0,0]=4 9756 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [2,0,0,0,0,0|2,0,0]=4 9757 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [2,0,0,0,0,0|2,0,0]=4 9758 B13R0.2 C/C=C/C(C)OCCCCCCCC 34a_200102604097_100000210759 [1,1,0,0,0,0|2,0,0]=4 9759 B13R0.2 C=COCCCCOCC(C)CCC 34a_100000031558_100011216630 [1,1,0,0,0,0|1,0,1]=4 9760 B13R0.2 C=COCCCCOCC(C)CCC 7a_100000031558_100011216630 [1,1,0,0,0,0|1,0,1]=4 9761 B13R0.2 C=COCCOCCCC(C)CCC 34a_100011713154_100000039644 [1,1,0,0,0,0|1,0,1]=4 9762 B13R0.2 C=COCCOCCCC(C)CCC 7a_100011713154_100000039644 [1,1,0,0,0,0|1,0,1]=4 9763 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [1,1,0,0,0,0|1,0,1]=4 9764 B13R0.2 CCCC(C)CCCOCCCC=O 7a_100011713154_200011292268 [1,1,0,0,0,0|2,0,0]=4 9765 B13R0.2 CCCC(C)CCCOCCOCC 34a_100011713154_100000210147 [1,1,0,0,0,0|1,0,1]=4 9766 B13R0.2 CCCC(C)CCCOCCOCC 7a_100011713154_100011215890 [1,1,0,0,0,0|1,0,1]=4 9767 B13R0.2 CCCC(C)CCOCCCCC=O 7a_100011217855_100000139335 [1,1,0,0,0,0|2,0,0]=4 9768 B13R0.2 CCCC(C)CCOCCCOCC 34a_100011217855_100012232248 [1,1,0,0,0,0|1,0,1]=4 9769 B13R0.2 CCCC(C)CCOCCCOCC 7a_100011217855_100012232248 [1,1,0,0,0,0|1,0,1]=4 9770 B13R0.2 CCCC(C)COCCCCCC=O 7a_100000688023_100000139337 [1,1,0,0,0,0|2,0,0]=4 9771 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100000139337_100011216630 [1,1,0,0,0,0|2,0,0]=4 9772 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100011216630_100000139337 [1,1,0,0,0,0|2,0,0]=4 9773 B13R0.2 CCCCCCCCCC(C)CNC 270004a_106832991635_200011218516 [1,1,0,0,0,0|2,0,0]=4 9774 B13R0.2 CCCCCCCCCC(C)NCC 270004a_100015525214_100011215753 [1,1,0,0,0,0|1,0,1]=4 9775 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [1,1,0,0,0,0|0,0,1]=3 9776 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [1,1,0,0,0,0|0,0,1]=3 9777 B13R0.2 CCCCCCCCCC(C)OCF 34a_100011218016_100015361967 [1,1,0,0,0,0|1,0,1]=4 9778 B13R0.2 CCCCCCCCCC(C)OCF 7a_100011218016_100015361967 [1,1,0,0,0,0|1,0,1]=4 9779 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [1,1,0,0,0,0|2,0,0]=4 9780 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [1,1,0,0,0,0|2,0,0]=4 9781 B13R0.2 CCC[C@H](N)CCOCCCOCC 34a_100015193777_100012232248 [1,1,0,0,0,0|1,0,1]=4 9782 B13R0.66 C/C=C/CC(=O)CCCCCCCC 1458a_100000210188_100102629194 [1,1,0,0,0,0|1,0,1]=4 9783 B13R0.66 C/C=C/CN(C)CCCCCCCC 269982a_100000207567_100102629194 [1,1,0,0,0,0|2,0,0]=4 9784 B13R0.66 C=COCCCCOC(C)CCCC 34a_100000031558_200011215066 [1,1,0,0,0,0|1,0,1]=4 9785 B13R0.66 C=COCCCCOC(C)CCCC 7a_100000031558_200011215066 [1,1,0,0,0,0|1,0,1]=4 9786 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100000210188_100000070051 [1,1,0,0,0,0|1,0,1]=4 9787 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100121576822_100000210759 [1,1,0,0,0,0|1,0,1]=4 9788 B13R0.66 CC=CCN(C)CCCCCCCC 2230a_100000207567_100000070051 [1,1,0,0,0,0|2,0,0]=4 9789 B13R0.66 CCCCC(C)CCCCOCC=O 34a_200011021034_200009817547 [1,1,0,0,0,0|2,0,0]=4 9790 B13R0.66 CCCCC(C)CCCCOCC=O 7a_200011021034_200015260668 [1,1,0,0,0,0|2,0,0]=4 9791 B13R0.66 CCCCC(C)COCCCCC=O 7a_100011995851_100000139335 [1,1,0,0,0,0|2,0,0]=4 9792 B13R0.66 CCCCC(C)COCCCOCC 34a_100011995851_100012232248 [1,1,0,0,0,0|1,0,1]=4 9793 B13R0.66 CCCCC(C)COCCCOCC 7a_100011995851_100012232248 [1,1,0,0,0,0|1,0,1]=4 9794 B13R0.66 CCCCC(C)NCCCCCC=O 2230a_100000126638_100000139337 [1,1,0,0,0,0|2,0,0]=4 9795 B13R0.66 CCCCC(C)OCCCCCC=O 7a_100000687866_100000139337 [1,1,0,0,0,0|2,0,0]=4 9796 B13R0.66 CCCCC(C)SCCCCCC=O 62a_100000139337_200011215066 [1,1,0,0,0,0|2,0,0]=4 9797 B13R0.66 CCCCC(C)SCCCCCC=O 62a_200011215066_100000139337 [1,1,0,0,0,0|2,0,0]=4 9798 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [1,1,0,0,0,0|0,0,2]=4 9799 B13R0.66 CCCCCCCCC(C)CNCC 270004a_100015525214_100011995885 [1,1,0,0,0,0|1,0,1]=4 9800 B13R0.66 CCCCCCCCC(C)COCC 34a_200012125181_100000210202 [1,1,0,0,0,0|0,0,1]=3 9801 B13R0.66 CCCCCCCCC(C)COCC 7a_200012125181_100000210202 [1,1,0,0,0,0|0,0,1]=3 9802 B13R0.66 CCCCCCCCC(C)COCF 34a_200012125181_100015361967 [1,1,0,0,0,0|1,0,1]=4 9803 B13R0.66 CCCCCCCCC(C)COCF 7a_200012125181_100015361967 [1,1,0,0,0,0|1,0,1]=4 9804 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [1,1,0,0,0,0|2,0,0]=4 9805 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [1,1,0,0,0,0|2,0,0]=4 9806 B13R0.66 CCCCCCCCN(C)COCC 269982a_100000207567_100000739092 [1,1,0,0,0,0|1,0,1]=4 9807 B13R0.66 CCCCCCCOC(C)COCC 34a_100000718985_100000210614 [1,1,0,0,0,0|1,0,1]=4 9808 B13R0.66 CCCCCCCOC(C)COCC 7a_100000718985_100000210614 [1,1,0,0,0,0|1,0,1]=4 9809 B13R0.66 CCCCCCNCC(O)COCC 2230a_102515437182_100000210314 [1,1,0,0,0,0|1,0,1]=4 9810 B13R0.66 CCCCCCNCC(O)COCC 34a_102515437182_100000210314 [1,1,0,0,0,0|1,0,1]=4 9811 B13R0.66 CCCC[C@H](N)COCCCOCC 34a_100011934283_100012232248 [1,1,0,0,0,0|1,0,1]=4 9812 B13R0.147 C/C=C/COCCCCCC(C)CC 7a_200000035636_100102629194 [1,1,0,0,0,0|2,0,0]=4 9813 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [1,1,0,0,0,0|1,0,1]=4 9814 B13R0.147 CC=CCOCCCCCC(C)CC 7a_200000035636_100000070051 [1,1,0,0,0,0|2,0,0]=4 9815 B13R0.147 CCC(C)CCCOCCCCC=O 7a_100011216074_100000139335 [1,1,0,0,0,0|2,0,0]=4 9816 B13R0.147 CCC(C)CCNCCCCCC=O 2230a_100020591266_100000139337 [1,1,0,0,0,0|2,0,0]=4 9817 B13R0.147 CCC(C)CCOCCCCCC=O 7a_100011215188_100000139337 [1,1,0,0,0,0|2,0,0]=4 9818 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [1,1,0,0,0,0|1,0,1]=4 9819 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [1,1,0,0,0,0|1,0,1]=4 9820 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [1,1,0,0,0,0|2,0,0]=4 9821 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [1,1,0,0,0,0|2,0,0]=4 9822 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [1,1,0,0,0,0|2,0,0]=4 9823 B13R0.147 CCCCCCCCCCC(C)NC 270004a_106832991635_200011219864 [1,1,0,0,0,0|2,0,0]=4 9824 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [1,1,0,0,0,0|2,0,0]=4 9825 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [1,1,0,0,0,0|2,0,0]=4 9826 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [1,1,0,0,0,0|2,0,0]=4 9827 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [1,1,0,0,0,0|2,0,0]=4 9828 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000207566_100000210202 [1,1,0,0,0,0|1,0,1]=4 9829 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000225621_100000210320 [1,1,0,0,0,0|1,0,1]=4 9830 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000207566_100000204670 [1,1,0,0,0,0|1,0,1]=4 9831 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000225621_100000210320 [1,1,0,0,0,0|1,0,1]=4 9832 B13R0.147 CCOCCCOCCCC(C)CC 7a_100011216074_100012232248 [1,1,0,0,0,0|1,0,1]=4 9833 B13R0.165 C/C=C/CCOC(C)CCCCCC 34a_100016278192_100011215978 [1,1,0,0,0,0|2,0,0]=4 9834 B13R0.165 C=COCCNC(C)CCCCCC 2230a_100000210919_100000039644 [1,1,0,0,0,0|1,0,1]=4 9835 B13R0.165 C=COCCNC(C)CCCCCC 34a_100000210919_100000039644 [1,1,0,0,0,0|1,0,1]=4 9836 B13R0.165 C=COCCOC(C)CCCCCC 34a_100000033082_100011215978 [1,1,0,0,0,0|1,0,1]=4 9837 B13R0.165 C=COCCOC(C)CCCCCC 34a_100000210265_100000039644 [1,1,0,0,0,0|1,0,1]=4 9838 B13R0.165 C=COCCOC(C)CCCCCC 7a_100000210265_100000039644 [1,1,0,0,0,0|1,0,1]=4 9839 B13R0.165 C=COCCSC(C)CCCCCC 62a_100000039644_100011215978 [1,1,0,0,0,0|1,0,1]=4 9840 B13R0.165 C=COCCSC(C)CCCCCC 62a_100011215978_100000039644 [1,1,0,0,0,0|1,0,1]=4 9841 B13R0.165 CCCCCCC(=O)CCCOCC 1458a_100102632555_100012232248 [1,1,0,0,0,0|0,0,2]=4 9842 B13R0.165 CCCCCCC(C)CCOCC=O 34a_200011024964_200009817547 [1,1,0,0,0,0|2,0,0]=4 9843 B13R0.165 CCCCCCC(C)CCOCC=O 7a_200011024964_200015260668 [1,1,0,0,0,0|2,0,0]=4 9844 B13R0.165 CCCCCCC(C)NCCCC=O 2230a_100000210919_200011292268 [1,1,0,0,0,0|2,0,0]=4 9845 B13R0.165 CCCCCCC(C)NCCOCC 2230a_100000210919_100011215890 [1,1,0,0,0,0|1,0,1]=4 9846 B13R0.165 CCCCCCC(C)NCCOCC 2230a_102516460346_100011215978 [1,1,0,0,0,0|1,0,1]=4 9847 B13R0.165 CCCCCCC(C)NCCOCC 270004a_102516460346_100000210826 [1,1,0,0,0,0|1,0,1]=4 9848 B13R0.165 CCCCCCC(C)NCCOCC 34a_100000210919_100000210147 [1,1,0,0,0,0|1,0,1]=4 9849 B13R0.165 CCCCCCC(C)NCCOCC 34a_102516460346_100011215978 [1,1,0,0,0,0|1,0,1]=4 9850 B13R0.165 CCCCCCC(C)OCCCC=O 7a_100000210265_200011292268 [1,1,0,0,0,0|2,0,0]=4 9851 B13R0.165 CCCCCCC(C)OCCOCC 34a_100000210136_100011215978 [1,1,0,0,0,0|1,0,1]=4 9852 B13R0.165 CCCCCCC(C)OCCOCC 34a_100000210265_100000210147 [1,1,0,0,0,0|1,0,1]=4 9853 B13R0.165 CCCCCCC(C)OCCOCC 7a_100000210136_100011215978 [1,1,0,0,0,0|1,0,1]=4 9854 B13R0.165 CCCCCCC(C)OCCOCC 7a_100000210265_100011215890 [1,1,0,0,0,0|1,0,1]=4 9855 B13R0.165 CCCCCCC(C)SCCCC=O 62a_100011215978_200011292268 [1,1,0,0,0,0|2,0,0]=4 9856 B13R0.165 CCCCCCC(C)SCCCC=O 62a_200011292268_100011215978 [1,1,0,0,0,0|2,0,0]=4 9857 B13R0.165 CCCCCCC(C)SCCOCC 62a_100000210147_100011215978 [1,1,0,0,0,0|1,0,1]=4 9858 B13R0.165 CCCCCCC(C)SCCOCC 62a_100011215978_100011215890 [1,1,0,0,0,0|1,0,1]=4 9859 B13R0.165 CCCCCCN(C)CCCCC=O 2230a_106256046315_100000139335 [1,1,0,0,0,0|2,0,0]=4 9860 B13R0.165 CCCCCCN(C)CCCCC=O 269982a_106256046315_100000139335 [1,1,0,0,0,0|2,0,0]=4 9861 B13R0.165 CCCCCCN(C)CCCOCC 2230a_106256046315_100012232248 [1,1,0,0,0,0|1,0,1]=4 9862 B13R0.165 CCCCCCN(C)CCCOCC 269982a_106256046315_100012232248 [1,1,0,0,0,0|1,0,1]=4 9863 B13R0.336 C#CCCCCCCCCCOCC 34a_100000034437_100000210202 [1,1,0,0,0,0|0,0,2]=4 9864 B13R0.336 C#CCCCCCCCCCOCC 7a_100000034437_100000210202 [1,1,0,0,0,0|0,0,2]=4 9865 B13R0.336 C#CCCCCCCCCOCC=O 34a_100000065265_200009817547 [1,1,0,0,0,0|0,0,2]=4 9866 B13R0.336 C#CCCCCCCCCOCC=O 7a_100000065265_200015260668 [1,1,0,0,0,0|0,0,2]=4 9867 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210247_100000210320 [1,1,0,0,0,0|0,0,2]=4 9868 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210711_100000184674 [1,1,0,0,0,0|0,0,2]=4 9869 B13R0.336 C#CCOCCCCCCCCCC 7a_100000210711_100000038162 [1,1,0,0,0,0|0,0,2]=4 9870 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [1,1,0,0,0,0|1,0,0]=3 9871 B13R0.336 C/C=C/CCOCCCCCCCO 34a_100016278192_100000760002 [1,1,0,0,0,0|2,0,0]=4 9872 B13R0.336 C/C=C/CCOCCCCCCOC 34a_100016278192_100011998445 [1,1,0,0,0,0|2,0,0]=4 9873 B13R0.336 C/C=C/CNCCCCCCCCC 34a_100000212291_100102629194 [1,1,0,0,0,0|1,0,0]=3 9874 B13R0.336 C/C=C/CNCCCCCCCCO 34a_102515433106_100102629194 [1,1,0,0,0,0|2,0,0]=4 9875 B13R0.336 C/C=C/COCCCCCCCCBr 34a_100009813846_100102629194 [1,1,0,0,0,0|2,0,0]=4 9876 B13R0.336 C/C=C/COCCCCCCCCBr 7a_100009813846_100102629194 [1,1,0,0,0,0|2,0,0]=4 9877 B13R0.336 C/C=C/COCCCCCCCCC 34a_100000210712_100102629194 [1,1,0,0,0,0|1,0,0]=3 9878 B13R0.336 C/C=C/COCCCCCCCCC 34a_100016270725_100011214924 [1,1,0,0,0,0|1,0,0]=3 9879 B13R0.336 C/C=C/COCCCCCCCCC 7a_100000210712_100102629194 [1,1,0,0,0,0|1,0,0]=3 9880 B13R0.336 C/C=C/COCCCCCCCCCl 34a_100000033203_100102629194 [1,1,0,0,0,0|2,0,0]=4 9881 B13R0.336 C/C=C/COCCCCCCCCCl 7a_100000033203_100102629194 [1,1,0,0,0,0|2,0,0]=4 9882 B13R0.336 C/C=C/COCCCCCCCCN 34a_102515433106_100102629194 [1,1,0,0,0,0|2,0,0]=4 9883 B13R0.336 C/C=C/COCCCCCCCCO 34a_100016270725_100000033203 [1,1,0,0,0,0|2,0,0]=4 9884 B13R0.336 C/C=C/COCCCCNCCCC 34a_200011216965_100102629194 [1,1,0,0,0,0|2,0,0]=4 9885 B13R0.336 C/C=C/COCCCCOCCCC 34a_200000760531_100102629194 [1,1,0,0,0,0|2,0,0]=4 9886 B13R0.336 C/C=C/COCCCCOCCCC 7a_200000760531_100102629194 [1,1,0,0,0,0|2,0,0]=4 9887 B13R0.336 C/C=C/COCCOCCCCCC 34a_100000691444_100102629194 [1,1,0,0,0,0|2,0,0]=4 9888 B13R0.336 C/C=C/COCCOCCCCCC 7a_100000691444_100102629194 [1,1,0,0,0,0|2,0,0]=4 9889 B13R0.336 C/C=C/CSCCCCCCCCC 62a_100102629194_100000210670 [1,1,0,0,0,0|1,0,0]=3 9890 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100000033203_100102629194 [1,1,0,0,0,0|2,0,0]=4 9891 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100102629194_100000033203 [1,1,0,0,0,0|2,0,0]=4 9892 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [1,1,0,0,0,0|1,0,1]=4 9893 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [1,1,0,0,0,0|1,0,1]=4 9894 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [1,1,0,0,0,0|1,0,1]=4 9895 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [1,1,0,0,0,0|1,0,1]=4 9896 B13R0.336 C=CCCCCCCCCCCSC 62a_100011093070_200000210301 [1,1,0,0,0,0|1,0,1]=4 9897 B13R0.336 C=CCCCCCCCCCCSC 62a_200000210301_100011093070 [1,1,0,0,0,0|1,0,1]=4 9898 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_100011093070_200025704644 [1,1,0,0,0,0|1,0,1]=4 9899 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_200025704644_100011093070 [1,1,0,0,0,0|1,0,1]=4 9900 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [1,1,0,0,0,0|1,0,1]=4 9901 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [1,1,0,0,0,0|1,0,1]=4 9902 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [1,1,0,0,0,0|1,0,1]=4 9903 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [1,1,0,0,0,0|0,0,2]=4 9904 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [1,1,0,0,0,0|0,0,2]=4 9905 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [1,1,0,0,0,0|0,0,2]=4 9906 B13R0.336 C=CCCCCCCCCCSCC 62a_100000210202_100009814027 [1,1,0,0,0,0|1,0,1]=4 9907 B13R0.336 C=CCCCCCCCCCSCC 62a_100009814027_100000210202 [1,1,0,0,0,0|1,0,1]=4 9908 B13R0.336 C=CCCCCCCCCOCC=O 34a_100011215194_200009817547 [1,1,0,0,0,0|0,0,2]=4 9909 B13R0.336 C=CCCCCCCCCOCC=O 7a_100011215194_200015260668 [1,1,0,0,0,0|0,0,2]=4 9910 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [1,1,0,0,0,0|1,0,1]=4 9911 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [1,1,0,0,0,0|1,0,1]=4 9912 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [1,1,0,0,0,0|1,0,1]=4 9913 B13R0.336 C=CCCCCCCCCSCCC 62a_100000210303_100011933949 [1,1,0,0,0,0|1,0,1]=4 9914 B13R0.336 C=CCCCCCCCCSCCC 62a_100011933949_100000210303 [1,1,0,0,0,0|1,0,1]=4 9915 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [1,1,0,0,0,0|1,0,1]=4 9916 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [1,1,0,0,0,0|1,0,1]=4 9917 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [1,1,0,0,0,0|1,0,1]=4 9918 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [1,1,0,0,0,0|1,0,1]=4 9919 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [1,1,0,0,0,0|1,0,1]=4 9920 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [1,1,0,0,0,0|1,0,1]=4 9921 B13R0.336 C=CCCCCCCCSCCCC 62a_100000210211_100012355270 [1,1,0,0,0,0|1,0,1]=4 9922 B13R0.336 C=CCCCCCCCSCCCC 62a_100012355270_100000210210 [1,1,0,0,0,0|1,0,1]=4 9923 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [1,1,0,0,0,0|1,0,1]=4 9924 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [1,1,0,0,0,0|1,0,1]=4 9925 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [1,1,0,0,0,0|1,0,1]=4 9926 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [1,1,0,0,0,0|1,0,1]=4 9927 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [1,1,0,0,0,0|1,0,1]=4 9928 B13R0.336 C=CCCCCCCSCCCCC 62a_100000210326_100011215473 [1,1,0,0,0,0|1,0,1]=4 9929 B13R0.336 C=CCCCCCCSCCCCC 62a_100011215473_100000210326 [1,1,0,0,0,0|1,0,1]=4 9930 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [1,1,0,0,0,0|1,0,1]=4 9931 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [1,1,0,0,0,0|1,0,1]=4 9932 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [1,1,0,0,0,0|1,0,1]=4 9933 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [1,1,0,0,0,0|1,0,1]=4 9934 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [1,1,0,0,0,0|1,0,1]=4 9935 B13R0.336 C=CCCCCCSCCCCCC 62a_100000210314_100000700193 [1,1,0,0,0,0|1,0,1]=4 9936 B13R0.336 C=CCCCCCSCCCCCC 62a_100000700193_100000210757 [1,1,0,0,0,0|1,0,1]=4 9937 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [1,1,0,0,0,0|1,0,1]=4 9938 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [1,1,0,0,0,0|1,0,1]=4 9939 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [1,1,0,0,0,0|1,0,1]=4 9940 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [1,1,0,0,0,0|1,0,1]=4 9941 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [1,1,0,0,0,0|1,0,1]=4 9942 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [1,1,0,0,0,0|1,0,1]=4 9943 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [1,1,0,0,0,0|1,0,1]=4 9944 B13R0.336 C=CCCCCSCCCCCCC 62a_100000210614_100011215482 [1,1,0,0,0,0|1,0,1]=4 9945 B13R0.336 C=CCCCCSCCCCCCC 62a_100011215482_100000210316 [1,1,0,0,0,0|1,0,1]=4 9946 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [1,1,0,0,0,0|1,0,1]=4 9947 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [1,1,0,0,0,0|1,0,1]=4 9948 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [1,1,0,0,0,0|1,0,1]=4 9949 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [1,1,0,0,0,0|1,0,1]=4 9950 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [1,1,0,0,0,0|1,0,1]=4 9951 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [1,1,0,0,0,0|1,0,1]=4 9952 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [1,1,0,0,0,0|1,0,1]=4 9953 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [1,1,0,0,0,0|1,0,1]=4 9954 B13R0.336 C=CCCCSCCCCCCCC 62a_100000210759_100000757094 [1,1,0,0,0,0|1,0,1]=4 9955 B13R0.336 C=CCCCSCCCCCCCC 62a_100011713584_100000210317 [1,1,0,0,0,0|1,0,1]=4 9956 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [1,1,0,0,0,0|1,0,1]=4 9957 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [1,1,0,0,0,0|1,0,1]=4 9958 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [1,1,0,0,0,0|1,0,1]=4 9959 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [1,1,0,0,0,0|1,0,1]=4 9960 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [1,1,0,0,0,0|1,0,1]=4 9961 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [1,1,0,0,0,0|1,0,1]=4 9962 B13R0.336 C=CCCSCCCCCCCCC 62a_100000754431_100000210670 [1,1,0,0,0,0|1,0,1]=4 9963 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [1,1,0,0,0,0|1,0,1]=4 9964 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [1,1,0,0,0,0|1,0,1]=4 9965 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [1,1,0,0,0,0|1,0,1]=4 9966 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [1,1,0,0,0,0|1,0,1]=4 9967 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [1,1,0,0,0,0|1,0,1]=4 9968 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [1,1,0,0,0,0|0,0,1]=3 9969 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [1,1,0,0,0,0|0,0,1]=3 9970 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [1,1,0,0,0,0|0,0,1]=3 9971 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [1,1,0,0,0,0|1,0,1]=4 9972 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [1,1,0,0,0,0|1,0,1]=4 9973 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [1,1,0,0,0,0|1,0,1]=4 9974 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [1,1,0,0,0,0|1,0,1]=4 9975 B13R0.336 C=CCOCCOCCCCCCC 34a_100000037705_100000210614 [1,1,0,0,0,0|1,0,1]=4 9976 B13R0.336 C=CCOCCOCCCCCCC 7a_100000037705_100000210614 [1,1,0,0,0,0|1,0,1]=4 9977 B13R0.336 C=CCSCCCCCCCCCC 62a_100000210623_100000210320 [1,1,0,0,0,0|0,1,1]=4 9978 B13R0.336 C=COCCCCOCCCCCC 34a_100000031558_100000210314 [1,1,0,0,0,0|0,0,1]=3 9979 B13R0.336 C=COCCCCOCCCCCC 7a_100000031558_100000210314 [1,1,0,0,0,0|0,0,1]=3 9980 B13R0.336 C=COCCCCOCCCCCF 34a_100000031558_100000729378 [1,1,0,0,0,0|1,0,1]=4 9981 B13R0.336 C=COCCCCOCCCCCF 7a_100000031558_100000729378 [1,1,0,0,0,0|1,0,1]=4 9982 B13R0.336 C=COCCCCOCCCCCO 34a_100000031558_100000746330 [1,1,0,0,0,0|1,0,1]=4 9983 B13R0.336 C=COCCCCOCCCCCO 7a_100000031558_100000746330 [1,1,0,0,0,0|1,0,1]=4 9984 B13R0.336 C=COCCCCOCCCCOC 34a_100000031558_100000755781 [1,1,0,0,0,0|1,0,1]=4 9985 B13R0.336 C=COCCCCOCCCCOC 7a_100000031558_100000730899 [1,1,0,0,0,0|1,0,1]=4 9986 B13R0.336 C=COCCCCOCCCOCC 34a_100000031558_100012232248 [1,1,0,0,0,0|1,0,1]=4 9987 B13R0.336 C=COCCCCOCCCOCC 7a_100000031558_100012232248 [1,1,0,0,0,0|1,0,1]=4 9988 B13R0.336 C=COCCCCOCCOCCC 34a_100000031558_100011215938 [1,1,0,0,0,0|1,0,1]=4 9989 B13R0.336 C=COCCCCOCCOCCC 7a_100000031558_100011215938 [1,1,0,0,0,0|1,0,1]=4 9990 B13R0.336 C=COCCCCOCOCCCC 34a_100000031558_100011995733 [1,1,0,0,0,0|1,0,1]=4 9991 B13R0.336 C=COCCCNCCCCCCC 2230a_100000210767_100000210681 [1,1,0,0,0,0|0,0,1]=3 9992 B13R0.336 C=COCCCNCCCCCCC 34a_100000210767_100000210614 [1,1,0,0,0,0|0,0,1]=3 9993 B13R0.336 C=COCCCNCCCCCCF 2230a_100000210767_100015922095 [1,1,0,0,0,0|1,0,1]=4 9994 B13R0.336 C=COCCCNCCCCCCF 34a_100000210767_100015922095 [1,1,0,0,0,0|1,0,1]=4 9995 B13R0.336 C=COCCCNCCCCCCO 2230a_100000210767_100000766143 [1,1,0,0,0,0|1,0,1]=4 9996 B13R0.336 C=COCCCNCCCCCCO 34a_100000210767_100000766143 [1,1,0,0,0,0|1,0,1]=4 9997 B13R0.336 C=COCCCNCCOCCCC 2230a_100000210767_100000743108 [1,1,0,0,0,0|1,0,1]=4 9998 B13R0.336 C=COCCCNCCOCCCC 34a_100000210767_100000743108 [1,1,0,0,0,0|1,0,1]=4 9999 B13R0.336 C=COCCNCCCCCCCC 2230a_100000229939_100000039644 [1,1,0,0,0,0|0,0,1]=3 10000 B13R0.336 C=COCCNCCCCCCCC 34a_100000229939_100000039644 [1,1,0,0,0,0|0,0,1]=3 10001 B13R0.336 C=COCCNCCCCCCCO 2230a_100011996573_100000039644 [1,1,0,0,0,0|1,0,1]=4 10002 B13R0.336 C=COCCNCCCCCCCO 34a_100011996573_100000039644 [1,1,0,0,0,0|1,0,1]=4 10003 B13R0.336 C=COCCNCCCOCCCC 2230a_200000211371_100000039644 [1,1,0,0,0,0|1,0,1]=4 10004 B13R0.336 C=COCCNCCCOCCCC 34a_200000211371_100000039644 [1,1,0,0,0,0|1,0,1]=4 10005 B13R0.336 C=COCCOCCCCCCCBr 34a_100000760002_100000039644 [1,1,0,0,0,0|1,0,1]=4 10006 B13R0.336 C=COCCOCCCCCCCBr 7a_100000760002_100000039644 [1,1,0,0,0,0|1,0,1]=4 10007 B13R0.336 C=COCCOCCCCCCCC 34a_100000033082_100000210759 [1,1,0,0,0,0|0,0,1]=3 10008 B13R0.336 C=COCCOCCCCCCCC 34a_100000210232_100000039644 [1,1,0,0,0,0|0,0,1]=3 10009 B13R0.336 C=COCCOCCCCCCCC 7a_100000210232_100000039644 [1,1,0,0,0,0|0,0,1]=3 10010 B13R0.336 C=COCCOCCCCCCCN 34a_100011996573_100000039644 [1,1,0,0,0,0|1,0,1]=4 10011 B13R0.336 C=COCCOCCCCCCCO 34a_100000033082_100000760002 [1,1,0,0,0,0|1,0,1]=4 10012 B13R0.336 C=COCCOCCCCCCOC 34a_100000033082_100011998445 [1,1,0,0,0,0|1,0,1]=4 10013 B13R0.336 C=COCCOCCCCCCOC 34a_200012092642_100000039644 [1,1,0,0,0,0|1,0,1]=4 10014 B13R0.336 C=COCCOCCCCCCOC 7a_200012092642_100000039644 [1,1,0,0,0,0|1,0,1]=4 10015 B13R0.336 C=COCCOCCCOCCCC 34a_200011215613_100000039644 [1,1,0,0,0,0|1,0,1]=4 10016 B13R0.336 C=COCCOCCCOCCCC 7a_200011215613_100000039644 [1,1,0,0,0,0|1,0,1]=4 10017 B13R0.336 C=COCCOCCNCCCCC 34a_100000224656_100000039644 [1,1,0,0,0,0|1,0,1]=4 10018 B13R0.336 C=COCCOCCOCCCCC 34a_100000039918_100000718602 [1,1,0,0,0,0|1,0,1]=4 10019 B13R0.336 C=COCCOCCOCCCCC 34a_100011215259_100000039644 [1,1,0,0,0,0|1,0,1]=4 10020 B13R0.336 C=COCCOCCOCCCCC 7a_100000039918_100000210326 [1,1,0,0,0,0|1,0,1]=4 10021 B13R0.336 C=COCCOCCOCCCCC 7a_100011215259_100000039644 [1,1,0,0,0,0|1,0,1]=4 10022 B13R0.336 C=COCCSCCCCCCCC 62a_100000039644_100000210317 [1,1,0,0,0,0|0,0,1]=3 10023 B13R0.336 C=COCCSCCCCCCCC 62a_100000210759_100000039644 [1,1,0,0,0,0|0,0,1]=3 10024 B13R0.336 C=COCCSCCCCCCCO 62a_100000039644_100000760002 [1,1,0,0,0,0|1,0,1]=4 10025 B13R0.336 C=COCCSCCCCCCCO 62a_100000760002_100000039644 [1,1,0,0,0,0|1,0,1]=4 10026 B13R0.336 C=COCCSCCCCCCOC 62a_100000039644_100011998445 [1,1,0,0,0,0|1,0,1]=4 10027 B13R0.336 C=COCCSCCCCCCOC 62a_100011998445_100000039644 [1,1,0,0,0,0|1,0,1]=4 10028 B13R0.336 CC#CCCOCCCCCCCC 34a_100000750427_100000210759 [1,1,0,0,0,0|1,0,1]=4 10029 B13R0.336 CC#CCNCCCCCCCCC 2230a_100000212291_100000748600 [1,1,0,0,0,0|1,0,1]=4 10030 B13R0.336 CC#CCNCCCCCCCCC 2230a_100000685387_100011214924 [1,1,0,0,0,0|1,0,1]=4 10031 B13R0.336 CC#CCNCCCCCCCCC 34a_100000212291_100000748600 [1,1,0,0,0,0|1,0,1]=4 10032 B13R0.336 CC#CCNCCCCCCCCC 34a_100000685387_100011214924 [1,1,0,0,0,0|1,0,1]=4 10033 B13R0.336 CC#CCOCCCCCCCCC 34a_100000210712_100000748600 [1,1,0,0,0,0|1,0,1]=4 10034 B13R0.336 CC#CCOCCCCCCCCC 34a_100000761923_100011214924 [1,1,0,0,0,0|1,0,1]=4 10035 B13R0.336 CC#CCOCCCCCCCCC 7a_100000210712_100000748600 [1,1,0,0,0,0|1,0,1]=4 10036 B13R0.336 CC#CCSCCCCCCCCC 62a_100000748600_100000210670 [1,1,0,0,0,0|1,0,1]=4 10037 B13R0.336 CC/C=C/CCCOCCCCCC 34a_100016287902_100000210314 [1,1,0,0,0,0|2,0,0]=4 10038 B13R0.336 CC/C=C/CCCOCCCCCC 7a_100016287902_100000210314 [1,1,0,0,0,0|2,0,0]=4 10039 B13R0.336 CC/C=C\CCCCCCCNCC 269862a_100015525214_200025770492 [1,1,0,0,0,0|2,0,0]=4 10040 B13R0.336 CC/C=C\CCCCCNCCCC 269862a_100000102301_100016288537 [1,1,0,0,0,0|2,0,0]=4 10041 B13R0.336 CC/C=C\CCCCCOCCCC 34a_100016268722_100000210210 [1,1,0,0,0,0|2,0,0]=4 10042 B13R0.336 CC/C=C\CCCCCOCCCC 7a_100016268722_100000210211 [1,1,0,0,0,0|2,0,0]=4 10043 B13R0.336 CC/C=C\CCCCOCCCCC 34a_100016287862_100000718602 [1,1,0,0,0,0|2,0,0]=4 10044 B13R0.336 CC/C=C\CCCCOCCCCC 7a_100016287862_100000210326 [1,1,0,0,0,0|2,0,0]=4 10045 B13R0.336 CC/C=C\CCNCCCCCCC 2230a_100000229938_100015370543 [1,1,0,0,0,0|2,0,0]=4 10046 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100000210272_100015370543 [1,1,0,0,0,0|2,0,0]=4 10047 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100016288707_100000210614 [1,1,0,0,0,0|2,0,0]=4 10048 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100000210272_100015370543 [1,1,0,0,0,0|2,0,0]=4 10049 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100016288707_100000210614 [1,1,0,0,0,0|2,0,0]=4 10050 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100000210614_100015370543 [1,1,0,0,0,0|2,0,0]=4 10051 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100015370543_100000210316 [1,1,0,0,0,0|2,0,0]=4 10052 B13R0.336 CC/C=C\CNCCCCCCCC 2230a_100000229939_100103147603 [1,1,0,0,0,0|2,0,0]=4 10053 B13R0.336 CC/C=C\CNCCCCCCCC 34a_100000229939_100103147603 [1,1,0,0,0,0|2,0,0]=4 10054 B13R0.336 CC/C=C\COCCCCCCCC 34a_100000210232_100103147603 [1,1,0,0,0,0|2,0,0]=4 10055 B13R0.336 CC/C=C\COCCCCCCCC 34a_100016268518_100000210759 [1,1,0,0,0,0|2,0,0]=4 10056 B13R0.336 CC/C=C\COCCCCCCCC 7a_100000210232_100103147603 [1,1,0,0,0,0|2,0,0]=4 10057 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100000210759_100103147603 [1,1,0,0,0,0|2,0,0]=4 10058 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100103147603_100000210317 [1,1,0,0,0,0|2,0,0]=4 10059 B13R0.336 CC=C=CCCOCCCCCCC 34a_100011020354_100000210614 [1,1,0,0,0,0|1,0,1]=4 10060 B13R0.336 CC=CCCCOCCCCCCC 34a_100020645299_100000210614 [1,1,0,0,0,0|1,0,0]=3 10061 B13R0.336 CC=CCCCOCCCCCCF 34a_100020645299_100015922095 [1,1,0,0,0,0|2,0,0]=4 10062 B13R0.336 CC=CCCCOCCCCCCO 34a_100020645299_100000766143 [1,1,0,0,0,0|2,0,0]=4 10063 B13R0.336 CC=CCCCOCCOCCCC 34a_100020645299_100000743108 [1,1,0,0,0,0|2,0,0]=4 10064 B13R0.336 CC=CCNCCCCCCCCC 2230a_100000212291_100000070051 [1,1,0,0,0,0|1,0,0]=3 10065 B13R0.336 CC=CCNCCCCCCCCC 34a_100000212291_100000070051 [1,1,0,0,0,0|1,0,0]=3 10066 B13R0.336 CC=CCNCCCCCCCCO 2230a_102515433106_100000070051 [1,1,0,0,0,0|2,0,0]=4 10067 B13R0.336 CC=CCNCCCCCCCCO 34a_102515433106_100000070051 [1,1,0,0,0,0|2,0,0]=4 10068 B13R0.336 CC=CCOCCCCCCCCBr 34a_100009813846_100000070051 [1,1,0,0,0,0|2,0,0]=4 10069 B13R0.336 CC=CCOCCCCCCCCBr 7a_100009813846_100000070051 [1,1,0,0,0,0|2,0,0]=4 10070 B13R0.336 CC=CCOCCCCCCCCC 34a_100000210712_100000070051 [1,1,0,0,0,0|1,0,0]=3 10071 B13R0.336 CC=CCOCCCCCCCCC 7a_100000210712_100000070051 [1,1,0,0,0,0|1,0,0]=3 10072 B13R0.336 CC=CCOCCCCCCCCCl 34a_100000033203_100000070051 [1,1,0,0,0,0|2,0,0]=4 10073 B13R0.336 CC=CCOCCCCCCCCCl 7a_100000033203_100000070051 [1,1,0,0,0,0|2,0,0]=4 10074 B13R0.336 CC=CCOCCCCCCCCN 34a_102515433106_100000070051 [1,1,0,0,0,0|2,0,0]=4 10075 B13R0.336 CC=CCOCCCCNCCCC 34a_200011216965_100000070051 [1,1,0,0,0,0|2,0,0]=4 10076 B13R0.336 CC=CCOCCCCOCCCC 34a_200000760531_100000070051 [1,1,0,0,0,0|2,0,0]=4 10077 B13R0.336 CC=CCOCCCCOCCCC 7a_200000760531_100000070051 [1,1,0,0,0,0|2,0,0]=4 10078 B13R0.336 CC=CCOCCOCCCCCC 34a_100000691444_100000070051 [1,1,0,0,0,0|2,0,0]=4 10079 B13R0.336 CC=CCOCCOCCCCCC 7a_100000691444_100000070051 [1,1,0,0,0,0|2,0,0]=4 10080 B13R0.336 CC=CCSCCCCCCCCC 62a_100000070051_100000210670 [1,1,0,0,0,0|1,0,0]=3 10081 B13R0.336 CC=CCSCCCCCCCCO 62a_100000033203_100000070051 [1,1,0,0,0,0|2,0,0]=4 10082 B13R0.336 CC=CCSCCCCCCCCO 62a_100000070051_100000033203 [1,1,0,0,0,0|2,0,0]=4 10083 B13R0.336 CCCC/C=C/CCCCOCC=O 34a_200020645093_200009817547 [1,1,0,0,0,0|0,0,2]=4 10084 B13R0.336 CCCC/C=C/CCCCOCC=O 7a_200020645093_200015260668 [1,1,0,0,0,0|0,0,2]=4 10085 B13R0.336 CCCCC#CCCCCOCC=O 34a_200000066234_200009817547 [1,1,0,0,0,0|0,0,2]=4 10086 B13R0.336 CCCCC#CCCCCOCC=O 7a_200000066234_200015260668 [1,1,0,0,0,0|0,0,2]=4 10087 B13R0.336 CCCCC/C=C\CCCOCC=O 34a_100020655193_200009817547 [1,1,0,0,0,0|0,0,2]=4 10088 B13R0.336 CCCCC/C=C\CCCOCC=O 7a_100020655193_200015260668 [1,1,0,0,0,0|0,0,2]=4 10089 B13R0.336 CCCCCCC#CCCOCC=O 34a_200000033163_200009817547 [1,1,0,0,0,0|0,0,2]=4 10090 B13R0.336 CCCCCCC#CCCOCC=O 7a_200000033163_200015260668 [1,1,0,0,0,0|0,0,2]=4 10091 B13R0.336 CCCCCCCC#CCOCC=O 34a_200000061759_200009817547 [1,1,0,0,0,0|0,0,2]=4 10092 B13R0.336 CCCCCCCC#CCOCC=O 7a_200000061759_200015260668 [1,1,0,0,0,0|0,0,2]=4 10093 B13R0.336 CCCCCCCC/C=C/COCC 34a_200020667288_100000210202 [1,1,0,0,0,0|0,0,2]=4 10094 B13R0.336 CCCCCCCC/C=C/COCC 7a_200020667288_100000210202 [1,1,0,0,0,0|0,0,2]=4 10095 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [1,1,0,0,0,0|1,0,1]=4 10096 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [1,1,0,0,0,0|1,0,1]=4 10097 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [1,1,0,0,0,0|1,0,1]=4 10098 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [1,1,0,0,0,0|1,0,1]=4 10099 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [1,1,0,0,0,0|1,0,1]=4 10100 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [1,1,0,0,0,0|1,0,1]=4 10101 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [1,1,0,0,0,0|1,0,1]=4 10102 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [1,1,0,0,0,0|1,0,1]=4 10103 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [1,1,0,0,0,0|1,0,1]=4 10104 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [1,1,0,0,0,0|1,0,1]=4 10105 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [1,1,0,0,0,0|1,0,1]=4 10106 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [1,1,0,0,0,0|1,0,1]=4 10107 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [1,1,0,0,0,0|1,0,1]=4 10108 B13R0.336 CCCCCCCCCCCCSC 62a_200000210301_100000759014 [1,1,0,0,0,0|1,0,1]=4 10109 B13R0.336 CCCCCCCCCCCCS[13CH3] 62a_200025704644_100000759014 [1,1,0,0,0,0|1,0,1]=4 10110 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [1,1,0,0,0,0|1,0,1]=4 10111 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [1,1,0,0,0,0|1,0,1]=4 10112 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [1,1,0,0,0,0|1,0,1]=4 10113 B13R0.336 CCCCCCCCCCCNCF 34a_200011215754_100015361967 [1,1,0,0,0,0|2,0,0]=4 10114 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [1,1,0,0,0,0|0,0,1]=3 10115 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [1,1,0,0,0,0|0,0,1]=3 10116 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [1,1,0,0,0,0|0,0,1]=3 10117 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [1,1,0,0,0,0|1,0,1]=4 10118 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [1,1,0,0,0,0|1,0,1]=4 10119 B13R0.336 CCCCCCCCCCCSCC 62a_100000210202_100011215454 [1,1,0,0,0,0|0,1,1]=4 10120 B13R0.336 CCCCCCCCCCCSCF 62a_100015361967_100011215454 [1,1,0,0,0,0|2,0,0]=4 10121 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [1,1,0,0,0,0|1,0,0]=3 10122 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [1,1,0,0,0,0|1,0,0]=3 10123 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [1,1,0,0,0,0|1,0,1]=4 10124 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [1,1,0,0,0,0|1,0,1]=4 10125 B13R0.336 CCCCCCCCCCNCCF 2230a_100000684558_100011217306 [1,1,0,0,0,0|1,0,1]=4 10126 B13R0.336 CCCCCCCCCCNCCF 34a_100000684558_100011217306 [1,1,0,0,0,0|1,0,1]=4 10127 B13R0.336 CCCCCCCCCCNCCF 34a_100000724931_100000210320 [1,1,0,0,0,0|1,0,1]=4 10128 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [1,1,0,0,0,0|1,0,1]=4 10129 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [1,1,0,0,0,0|1,0,1]=4 10130 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [1,1,0,0,0,0|1,0,1]=4 10131 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [1,1,0,0,0,0|1,0,1]=4 10132 B13R0.336 CCCCCCCCCCNCOC 2230a_100000684558_100000766300 [1,1,0,0,0,0|1,0,1]=4 10133 B13R0.336 CCCCCCCCCCNCSC 2230a_100000684558_100011218213 [1,1,0,0,0,0|1,0,1]=4 10134 B13R0.336 CCCCCCCCCCNCSC 34a_100000684558_100011218213 [1,1,0,0,0,0|1,0,1]=4 10135 B13R0.336 CCCCCCCCCCOCC#N 7a_100000210711_100011215382 [1,1,0,0,0,0|0,0,2]=4 10136 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [1,1,0,0,0,0|0,0,0]=2 10137 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [1,1,0,0,0,0|0,0,0]=2 10138 B13R0.336 CCCCCCCCCCOCCBr 34a_100000211926_100000210320 [1,1,0,0,0,0|0,0,1]=3 10139 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [1,1,0,0,0,0|0,0,1]=3 10140 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [1,1,0,0,0,0|0,0,1]=3 10141 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [1,1,0,0,0,0|0,0,1]=3 10142 B13R0.336 CCCCCCCCCCOCCF 34a_100000210711_100011217306 [1,1,0,0,0,0|0,0,1]=3 10143 B13R0.336 CCCCCCCCCCOCCF 7a_100000210711_100011217306 [1,1,0,0,0,0|0,0,1]=3 10144 B13R0.336 CCCCCCCCCCOCCN 34a_100000210304_100000210320 [1,1,0,0,0,0|0,0,1]=3 10145 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [1,1,0,0,0,0|0,0,1]=3 10146 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [1,1,0,0,0,0|0,0,1]=3 10147 B13R0.336 CCCCCCCCCCOCSC 34a_100000210711_100011218213 [1,1,0,0,0,0|0,0,1]=3 10148 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [1,1,0,0,0,0|0,1,0]=3 10149 B13R0.336 CCCCCCCCCCSCCC 62a_100000210303_100000210320 [1,1,0,0,0,0|0,1,1]=4 10150 B13R0.336 CCCCCCCCCCSCCF 62a_100011217306_100000210320 [1,1,0,0,0,0|0,1,1]=4 10151 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [1,1,0,0,0,0|0,1,1]=4 10152 B13R0.336 CCCCCCCCCCSCOC 62a_100000766300_100000210320 [1,1,0,0,0,0|0,1,1]=4 10153 B13R0.336 CCCCCCCCCCSCSC 62a_100011218213_100000210320 [1,1,0,0,0,0|0,1,1]=4 10154 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [1,1,0,0,0,0|1,0,1]=4 10155 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [1,1,0,0,0,0|1,0,1]=4 10156 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [1,1,0,0,0,0|1,0,1]=4 10157 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [1,1,0,0,0,0|1,0,1]=4 10158 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [1,1,0,0,0,0|2,0,0]=4 10159 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [1,1,0,0,0,0|2,0,0]=4 10160 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [1,1,0,0,0,0|2,0,0]=4 10161 B13R0.336 CCCCCCCCCNCCSC 2230a_100000212291_100000751147 [1,1,0,0,0,0|2,0,0]=4 10162 B13R0.336 CCCCCCCCCNCCSC 2230a_100020590264_100011214924 [1,1,0,0,0,0|2,0,0]=4 10163 B13R0.336 CCCCCCCCCNCCSC 34a_100000212291_100000212216 [1,1,0,0,0,0|2,0,0]=4 10164 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [1,1,0,0,0,0|1,0,1]=4 10165 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [1,1,0,0,0,0|1,0,1]=4 10166 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [1,1,0,0,0,0|1,0,1]=4 10167 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [1,1,0,0,0,0|1,0,1]=4 10168 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [1,1,0,0,0,0|2,0,0]=4 10169 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [1,1,0,0,0,0|2,0,0]=4 10170 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [1,1,0,0,0,0|2,0,0]=4 10171 B13R0.336 CCCCCCCCCOCCSC 34a_100000210712_100000212216 [1,1,0,0,0,0|2,0,0]=4 10172 B13R0.336 CCCCCCCCCOCCSC 34a_100000230434_100011214924 [1,1,0,0,0,0|2,0,0]=4 10173 B13R0.336 CCCCCCCCCOCCSC 7a_100000210712_100000212216 [1,1,0,0,0,0|2,0,0]=4 10174 B13R0.336 CCCCCCCCCOCCSC 7a_100000230434_100000210328 [1,1,0,0,0,0|2,0,0]=4 10175 B13R0.336 CCCCCCCCCSCCCC 62a_100000210211_100000210670 [1,1,0,0,0,0|1,0,1]=4 10176 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [1,1,0,0,0,0|2,0,0]=4 10177 B13R0.336 CCCCCCCCCSCCSC 62a_100000212216_100000210670 [1,1,0,0,0,0|2,0,0]=4 10178 B13R0.336 CCCCCCCCCSCOCC 62a_100000739092_100000210670 [1,1,0,0,0,0|0,0,1]=3 10179 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [1,1,0,0,0,0|1,0,0]=3 10180 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [1,1,0,0,0,0|1,0,1]=4 10181 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [1,1,0,0,0,0|1,0,1]=4 10182 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [1,1,0,0,0,0|1,0,1]=4 10183 B13R0.336 CCCCCCCCNCCCOC 2230a_100000229939_100000740836 [1,1,0,0,0,0|2,0,0]=4 10184 B13R0.336 CCCCCCCCNCCCOC 34a_100000229939_100000740836 [1,1,0,0,0,0|2,0,0]=4 10185 B13R0.336 CCCCCCCCNCCCOC 34a_100150723488_100000210759 [1,1,0,0,0,0|2,0,0]=4 10186 B13R0.336 CCCCCCCCNCCCSC 2230a_100000749238_100000210759 [1,1,0,0,0,0|2,0,0]=4 10187 B13R0.336 CCCCCCCCNCCOCC 2230a_100000229939_100011215890 [1,1,0,0,0,0|0,0,1]=3 10188 B13R0.336 CCCCCCCCNCCOCC 2230a_102516460346_100000210759 [1,1,0,0,0,0|0,0,1]=3 10189 B13R0.336 CCCCCCCCNCCOCC 34a_100000229939_100000210147 [1,1,0,0,0,0|0,0,1]=3 10190 B13R0.336 CCCCCCCCNCCOCC 34a_102516460346_100000210759 [1,1,0,0,0,0|0,0,1]=3 10191 B13R0.336 CCCCCCCCNCCSCC 2230a_100000106463_100000210759 [1,1,0,0,0,0|0,1,1]=4 10192 B13R0.336 CCCCCCCCNCCSCC 2230a_100000229939_100000757381 [1,1,0,0,0,0|0,1,1]=4 10193 B13R0.336 CCCCCCCCNCCSCC 34a_100000229939_100000757381 [1,1,0,0,0,0|0,1,1]=4 10194 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [1,1,0,0,0,0|1,0,0]=3 10195 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [1,1,0,0,0,0|1,0,1]=4 10196 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [1,1,0,0,0,0|1,0,1]=4 10197 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [1,1,0,0,0,0|1,0,1]=4 10198 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [1,1,0,0,0,0|1,0,1]=4 10199 B13R0.336 CCCCCCCCOCCCNC 34a_100000213112_100000210759 [1,1,0,0,0,0|2,0,0]=4 10200 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [1,1,0,0,0,0|2,0,0]=4 10201 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [1,1,0,0,0,0|2,0,0]=4 10202 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [1,1,0,0,0,0|2,0,0]=4 10203 B13R0.336 CCCCCCCCOCCCSC 34a_100000690336_100000210759 [1,1,0,0,0,0|2,0,0]=4 10204 B13R0.336 CCCCCCCCOCCCSC 7a_100000690336_100000210759 [1,1,0,0,0,0|2,0,0]=4 10205 B13R0.336 CCCCCCCCOCCOCC 34a_100000210136_100000210759 [1,1,0,0,0,0|0,0,1]=3 10206 B13R0.336 CCCCCCCCOCCOCC 34a_100000210232_100000210147 [1,1,0,0,0,0|0,0,1]=3 10207 B13R0.336 CCCCCCCCOCCOCC 7a_100000210136_100000210759 [1,1,0,0,0,0|0,0,1]=3 10208 B13R0.336 CCCCCCCCOCCOCC 7a_100000210232_100011215890 [1,1,0,0,0,0|0,0,1]=3 10209 B13R0.336 CCCCCCCCOCCSCC 34a_100000210232_100000757381 [1,1,0,0,0,0|0,1,1]=4 10210 B13R0.336 CCCCCCCCOCCSCC 34a_100000212035_100000210759 [1,1,0,0,0,0|0,1,1]=4 10211 B13R0.336 CCCCCCCCOCCSCC 7a_100000210232_100000757381 [1,1,0,0,0,0|0,1,1]=4 10212 B13R0.336 CCCCCCCCOCCSCC 7a_100000212035_100000210759 [1,1,0,0,0,0|0,1,1]=4 10213 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [1,1,0,0,0,0|1,0,0]=3 10214 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [1,1,0,0,0,0|1,0,0]=3 10215 B13R0.336 CCCCCCCCSCCCCC 62a_100000210326_100000210317 [1,1,0,0,0,0|1,0,1]=4 10216 B13R0.336 CCCCCCCCSCCCCC 62a_100000210759_100000210326 [1,1,0,0,0,0|1,0,1]=4 10217 B13R0.336 CCCCCCCCSCCCOC 62a_100000210759_100000709357 [1,1,0,0,0,0|2,0,0]=4 10218 B13R0.336 CCCCCCCCSCCCOC 62a_100000709357_100000210317 [1,1,0,0,0,0|2,0,0]=4 10219 B13R0.336 CCCCCCCCSCCOCC 62a_100000210147_100000210317 [1,1,0,0,0,0|0,0,1]=3 10220 B13R0.336 CCCCCCCCSCCOCC 62a_100000210759_100011215890 [1,1,0,0,0,0|0,0,1]=3 10221 B13R0.336 CCCCCCCCSCCSCC 62a_100000210759_100000757381 [1,1,0,0,0,0|0,1,1]=4 10222 B13R0.336 CCCCCCCCSCCSCC 62a_100000757381_100000210317 [1,1,0,0,0,0|0,1,1]=4 10223 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [1,1,0,0,0,0|1,0,0]=3 10224 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [1,1,0,0,0,0|1,0,1]=4 10225 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [1,1,0,0,0,0|1,0,1]=4 10226 B13R0.336 CCCCCCCNCCCCOC 2230a_100000229938_100000730899 [1,1,0,0,0,0|2,0,0]=4 10227 B13R0.336 CCCCCCCNCCCOCC 2230a_100000210961_100000210681 [1,1,0,0,0,0|0,0,1]=3 10228 B13R0.336 CCCCCCCNCCCOCC 2230a_100000229938_100012232248 [1,1,0,0,0,0|0,0,1]=3 10229 B13R0.336 CCCCCCCNCCCOCC 34a_100000210961_100000210614 [1,1,0,0,0,0|0,0,1]=3 10230 B13R0.336 CCCCCCCNCCOCCC 2230a_100000229938_100011215938 [1,1,0,0,0,0|1,0,1]=4 10231 B13R0.336 CCCCCCCNCCOCCC 2230a_100161115042_100000210681 [1,1,0,0,0,0|1,0,1]=4 10232 B13R0.336 CCCCCCCNCCOCCC 34a_100161115042_100000210614 [1,1,0,0,0,0|1,0,1]=4 10233 B13R0.336 CCCCCCCNCCOCCO 2230a_100000211614_100000210681 [1,1,0,0,0,0|1,0,1]=4 10234 B13R0.336 CCCCCCCNCCOCCO 2230a_100000229938_100011215305 [1,1,0,0,0,0|1,0,1]=4 10235 B13R0.336 CCCCCCCNCCOCCO 34a_100000211614_100000210614 [1,1,0,0,0,0|1,0,1]=4 10236 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [1,1,0,0,0,0|1,0,0]=3 10237 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [1,1,0,0,0,0|1,0,1]=4 10238 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [1,1,0,0,0,0|1,0,1]=4 10239 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [1,1,0,0,0,0|1,0,1]=4 10240 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [1,1,0,0,0,0|1,0,1]=4 10241 B13R0.336 CCCCCCCOCCCCOC 34a_100000210272_100000755781 [1,1,0,0,0,0|2,0,0]=4 10242 B13R0.336 CCCCCCCOCCCCOC 34a_100000740925_100000210614 [1,1,0,0,0,0|2,0,0]=4 10243 B13R0.336 CCCCCCCOCCCCOC 7a_100000210272_100000730899 [1,1,0,0,0,0|2,0,0]=4 10244 B13R0.336 CCCCCCCOCCCCSC 34a_100011217163_100000210614 [1,1,0,0,0,0|2,0,0]=4 10245 B13R0.336 CCCCCCCOCCCCSC 7a_100011217163_100000210614 [1,1,0,0,0,0|2,0,0]=4 10246 B13R0.336 CCCCCCCOCCCOCC 34a_100000210272_100012232248 [1,1,0,0,0,0|0,0,1]=3 10247 B13R0.336 CCCCCCCOCCCOCC 34a_100000757476_100000210614 [1,1,0,0,0,0|0,0,1]=3 10248 B13R0.336 CCCCCCCOCCCOCC 7a_100000210272_100012232248 [1,1,0,0,0,0|0,0,1]=3 10249 B13R0.336 CCCCCCCOCCCOCC 7a_100000757476_100000210614 [1,1,0,0,0,0|0,0,1]=3 10250 B13R0.336 CCCCCCCOCCCSCC 34a_100011216438_100000210614 [1,1,0,0,0,0|0,1,1]=4 10251 B13R0.336 CCCCCCCOCCCSCC 7a_100011216438_100000210614 [1,1,0,0,0,0|0,1,1]=4 10252 B13R0.336 CCCCCCCOCCOCCBr 34a_100000692535_100000210614 [1,1,0,0,0,0|1,0,1]=4 10253 B13R0.336 CCCCCCCOCCOCCBr 7a_100000692535_100000210614 [1,1,0,0,0,0|1,0,1]=4 10254 B13R0.336 CCCCCCCOCCOCCC 34a_100000210272_100011215938 [1,1,0,0,0,0|1,0,1]=4 10255 B13R0.336 CCCCCCCOCCOCCC 34a_100000752267_100000210614 [1,1,0,0,0,0|1,0,1]=4 10256 B13R0.336 CCCCCCCOCCOCCC 7a_100000210272_100011215938 [1,1,0,0,0,0|1,0,1]=4 10257 B13R0.336 CCCCCCCOCCOCCC 7a_100000752267_100000210614 [1,1,0,0,0,0|1,0,1]=4 10258 B13R0.336 CCCCCCCOCCOCCCl 34a_100011215305_100000210614 [1,1,0,0,0,0|1,0,1]=4 10259 B13R0.336 CCCCCCCOCCOCCCl 7a_100011215305_100000210614 [1,1,0,0,0,0|1,0,1]=4 10260 B13R0.336 CCCCCCCOCCOCCF 34a_200015357709_100000210614 [1,1,0,0,0,0|1,0,1]=4 10261 B13R0.336 CCCCCCCOCCOCCF 7a_200015357709_100000210614 [1,1,0,0,0,0|1,0,1]=4 10262 B13R0.336 CCCCCCCOCCOCCI 34a_100012149058_100000210614 [1,1,0,0,0,0|1,0,1]=4 10263 B13R0.336 CCCCCCCOCCOCCI 7a_100012149058_100000210614 [1,1,0,0,0,0|1,0,1]=4 10264 B13R0.336 CCCCCCCOCCOCCN 34a_100000211614_100000210614 [1,1,0,0,0,0|1,0,1]=4 10265 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [1,1,0,0,0,0|1,0,1]=4 10266 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [1,1,0,0,0,0|1,0,1]=4 10267 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [1,1,0,0,0,0|1,0,0]=3 10268 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [1,1,0,0,0,0|1,0,0]=3 10269 B13R0.336 CCCCCCCSCCCCCC 62a_100000210314_100000210316 [1,1,0,0,0,0|1,0,1]=4 10270 B13R0.336 CCCCCCCSCCCCCC 62a_100000210614_100000210757 [1,1,0,0,0,0|1,0,1]=4 10271 B13R0.336 CCCCCCCSCCCCOC 62a_100000210614_100000730899 [1,1,0,0,0,0|2,0,0]=4 10272 B13R0.336 CCCCCCCSCCCCOC 62a_100000730899_100000210316 [1,1,0,0,0,0|2,0,0]=4 10273 B13R0.336 CCCCCCCSCCCOCC 62a_100000210614_100012232248 [1,1,0,0,0,0|0,0,1]=3 10274 B13R0.336 CCCCCCCSCCCOCC 62a_100012232248_100000210316 [1,1,0,0,0,0|0,0,1]=3 10275 B13R0.336 CCCCCCCSCCOCCC 62a_100000210614_100011215938 [1,1,0,0,0,0|1,0,1]=4 10276 B13R0.336 CCCCCCCSCCOCCC 62a_100011215938_100000210316 [1,1,0,0,0,0|1,0,1]=4 10277 B13R0.336 CCCCCCCSCCOCCO 62a_100000210614_100011215305 [1,1,0,0,0,0|1,0,1]=4 10278 B13R0.336 CCCCCCCSCCOCCO 62a_100011215305_100000210316 [1,1,0,0,0,0|1,0,1]=4 10279 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [1,1,0,0,0,0|1,0,0]=3 10280 B13R0.336 CCCCCCNCCCCCOC 2230a_100000747528_100000210314 [1,1,0,0,0,0|2,0,0]=4 10281 B13R0.336 CCCCCCNCCCCCOC 34a_100000747528_100000210314 [1,1,0,0,0,0|2,0,0]=4 10282 B13R0.336 CCCCCCNCCCOCCC 2230a_100011217757_100000210314 [1,1,0,0,0,0|1,0,1]=4 10283 B13R0.336 CCCCCCNCCCOCCC 34a_100011217757_100000210314 [1,1,0,0,0,0|1,0,1]=4 10284 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [1,1,0,0,0,0|1,0,0]=3 10285 B13R0.336 CCCCCCOCCCCCNC 34a_100000722520_100000210314 [1,1,0,0,0,0|2,0,0]=4 10286 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [1,1,0,0,0,0|1,0,0]=3 10287 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [1,1,0,0,0,0|1,0,0]=3 10288 B13R0.336 CCCCCNCCCCCCOC 2230a_100000209983_100011998445 [1,1,0,0,0,0|2,0,0]=4 10289 B13R0.336 CCCCCNCCOCCOCC 2230a_100000209983_100011211534 [1,1,0,0,0,0|1,0,1]=4 10290 B13R0.336 CCCCCNCCOCCOCC 2230a_100102712874_100000210326 [1,1,0,0,0,0|1,0,1]=4 10291 B13R0.336 CCCCCNCCOCCOCC 34a_100000224656_100000210147 [1,1,0,0,0,0|1,0,1]=4 10292 B13R0.336 CCCCCNCCOCCOCC 34a_100102712874_100000718602 [1,1,0,0,0,0|1,0,1]=4 10293 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [1,1,0,0,0,0|2,0,0]=4 10294 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [1,1,0,0,0,0|2,0,0]=4 10295 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [1,1,0,0,0,0|2,0,0]=4 10296 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [1,1,0,0,0,0|2,0,0]=4 10297 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [1,1,0,0,0,0|2,0,0]=4 10298 B13R0.336 CCCCCOCCOCCOCC 34a_100000210240_100000718602 [1,1,0,0,0,0|1,0,1]=4 10299 B13R0.336 CCCCCOCCOCCOCC 34a_100000210253_100011211534 [1,1,0,0,0,0|1,0,1]=4 10300 B13R0.336 CCCCCOCCOCCOCC 34a_100011215259_100000210147 [1,1,0,0,0,0|1,0,1]=4 10301 B13R0.336 CCCCCOCCOCCOCC 7a_100000210240_100000210326 [1,1,0,0,0,0|1,0,1]=4 10302 B13R0.336 CCCCCOCCOCCOCC 7a_100000210253_100011211534 [1,1,0,0,0,0|1,0,1]=4 10303 B13R0.336 CCCCCOCCOCCOCC 7a_100011215259_100011215890 [1,1,0,0,0,0|1,0,1]=4 10304 B13R0.336 CCCCCSCCCCCCOC 62a_100000210326_100011998445 [1,1,0,0,0,0|2,0,0]=4 10305 B13R0.336 CCCCCSCCCCCCOC 62a_100011998445_100000210326 [1,1,0,0,0,0|2,0,0]=4 10306 B13R0.336 CCCCCSCCOCCOCC 62a_100000210326_100011211534 [1,1,0,0,0,0|1,0,1]=4 10307 B13R0.336 CCCCCSCCOCCOCC 62a_100011211534_100000210326 [1,1,0,0,0,0|1,0,1]=4 10308 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [1,1,0,0,0,0|2,0,0]=4 10309 B13R0.336 CCCCOCCCNCCOCC 2230a_200000211371_100011215890 [1,1,0,0,0,0|1,0,1]=4 10310 B13R0.336 CCCCOCCCNCCOCC 34a_200000211371_100000210147 [1,1,0,0,0,0|1,0,1]=4 10311 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [1,1,0,0,0,0|2,0,0]=4 10312 B13R0.336 CCCCOCCCOCCOCC 34a_200011215613_100000210147 [1,1,0,0,0,0|1,0,1]=4 10313 B13R0.336 CCCCOCCCOCCOCC 7a_200011215613_100011215890 [1,1,0,0,0,0|1,0,1]=4 10314 B13R0.336 CCCCOCCNCCCOCC 2230a_100000210961_100000743108 [1,1,0,0,0,0|1,0,1]=4 10315 B13R0.336 CCCCOCCNCCCOCC 34a_100000210961_100000743108 [1,1,0,0,0,0|1,0,1]=4 10316 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [1,1,0,0,0,0|2,0,0]=4 10317 B13R0.336 CCCCOCCOCCCOCC 34a_100000210238_100012232248 [1,1,0,0,0,0|1,0,1]=4 10318 B13R0.336 CCCCOCCOCCCOCC 34a_100000757476_100000743108 [1,1,0,0,0,0|1,0,1]=4 10319 B13R0.336 CCCCOCCOCCCOCC 7a_100000210238_100012232248 [1,1,0,0,0,0|1,0,1]=4 10320 B13R0.336 CCCCOCCOCCCOCC 7a_100000757476_100000743108 [1,1,0,0,0,0|1,0,1]=4 10321 B13R0.336 CCCCOCCOCCOCC=O 34a_100011215186_200009817547 [1,1,0,0,0,0|2,0,0]=4 10322 B13R0.336 CCCCOCCOCCOCC=O 7a_100011215186_200015260668 [1,1,0,0,0,0|2,0,0]=4 10323 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [1,1,0,0,0,0|2,0,0]=4 10324 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [1,1,0,0,0,0|2,0,0]=4 10325 B13R0.336 CCCCOCCSCCCOCC 62a_100000743108_100012232248 [1,1,0,0,0,0|1,0,1]=4 10326 B13R0.336 CCCCOCCSCCCOCC 62a_100012232248_100000743108 [1,1,0,0,0,0|1,0,1]=4 10327 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [1,1,0,0,0,0|2,0,0]=4 10328 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [1,1,0,0,0,0|2,0,0]=4 10329 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [1,1,0,0,0,0|2,0,0]=4 10330 B13R0.336 CCCCSCCNCCCOCC 2230a_100025743550_100012232248 [1,1,0,0,0,0|1,0,1]=4 10331 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [1,1,0,0,0,0|2,0,0]=4 10332 B13R0.336 CCCCSCCOCCCOCC 34a_200000230436_100012232248 [1,1,0,0,0,0|1,0,1]=4 10333 B13R0.336 CCCCSCCOCCCOCC 7a_200000230436_100012232248 [1,1,0,0,0,0|1,0,1]=4 10334 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [1,1,0,0,0,0|1,0,1]=4 10335 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [1,1,0,0,0,0|1,0,1]=4 10336 B13R0.336 CCCOCCCCCCCCCCl 34a_100009868337_100000210303 [1,1,0,0,0,0|1,0,1]=4 10337 B13R0.336 CCCOCCCCCCCCCCl 7a_100009868337_100000210303 [1,1,0,0,0,0|1,0,1]=4 10338 B13R0.336 CCCOCCCCCCCCCN 34a_100000078944_100000210303 [1,1,0,0,0,0|1,0,1]=4 10339 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [1,1,0,0,0,0|1,0,1]=4 10340 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [1,1,0,0,0,0|2,0,0]=4 10341 B13R0.336 CCCOCCCNCCCOCC 2230a_100011217757_100012232248 [1,1,0,0,0,0|1,0,1]=4 10342 B13R0.336 CCCOCCCNCCCOCC 34a_100011217757_100012232248 [1,1,0,0,0,0|1,0,1]=4 10343 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [1,1,0,0,0,0|2,0,0]=4 10344 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [1,1,0,0,0,0|2,0,0]=4 10345 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [1,1,0,0,0,0|2,0,0]=4 10346 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [1,1,0,0,0,0|2,0,0]=4 10347 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [1,1,0,0,0,0|2,0,0]=4 10348 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [1,1,0,0,0,0|2,0,0]=4 10349 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [1,1,0,0,0,0|1,0,1]=4 10350 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [1,1,0,0,0,0|1,0,1]=4 10351 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [1,1,0,0,0,0|1,0,1]=4 10352 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [1,1,0,0,0,0|0,0,1]=3 10353 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [1,1,0,0,0,0|0,0,1]=3 10354 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [1,1,0,0,0,0|0,0,1]=3 10355 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [1,1,0,0,0,0|0,0,1]=3 10356 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [1,1,0,0,0,0|0,0,1]=3 10357 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [1,1,0,0,0,0|0,0,1]=3 10358 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [1,1,0,0,0,0|0,0,1]=3 10359 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [1,1,0,0,0,0|0,0,1]=3 10360 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [1,1,0,0,0,0|0,0,1]=3 10361 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [1,1,0,0,0,0|0,0,1]=3 10362 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [1,1,0,0,0,0|2,0,0]=4 10363 B13R0.336 CCOCCCNCCCCCCF 2230a_100000210961_100015922095 [1,1,0,0,0,0|1,0,1]=4 10364 B13R0.336 CCOCCCNCCCCCCF 34a_100000210961_100015922095 [1,1,0,0,0,0|1,0,1]=4 10365 B13R0.336 CCOCCCNCCCCCCO 2230a_100000210961_100000766143 [1,1,0,0,0,0|1,0,1]=4 10366 B13R0.336 CCOCCCNCCCCCCO 2230a_100000686447_100012232248 [1,1,0,0,0,0|1,0,1]=4 10367 B13R0.336 CCOCCCNCCCCCCO 34a_100000210961_100000766143 [1,1,0,0,0,0|1,0,1]=4 10368 B13R0.336 CCOCCCNCCCCCCO 34a_100000686447_100012232248 [1,1,0,0,0,0|1,0,1]=4 10369 B13R0.336 CCOCCCNCCCCCOC 2230a_100000747528_100012232248 [1,1,0,0,0,0|1,0,1]=4 10370 B13R0.336 CCOCCCNCCCCCOC 34a_100000747528_100012232248 [1,1,0,0,0,0|1,0,1]=4 10371 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [1,1,0,0,0,0|2,0,0]=4 10372 B13R0.336 CCOCCCOCCCCCCBr 34a_100011215345_100012232248 [1,1,0,0,0,0|1,0,1]=4 10373 B13R0.336 CCOCCCOCCCCCCBr 7a_100011215345_100012232248 [1,1,0,0,0,0|1,0,1]=4 10374 B13R0.336 CCOCCCOCCCCCCCl 34a_100000766143_100012232248 [1,1,0,0,0,0|1,0,1]=4 10375 B13R0.336 CCOCCCOCCCCCCCl 7a_100000766143_100012232248 [1,1,0,0,0,0|1,0,1]=4 10376 B13R0.336 CCOCCCOCCCCCCF 34a_100000732779_100012232248 [1,1,0,0,0,0|1,0,1]=4 10377 B13R0.336 CCOCCCOCCCCCCF 34a_100000757476_100015922095 [1,1,0,0,0,0|1,0,1]=4 10378 B13R0.336 CCOCCCOCCCCCCF 7a_100000732779_100012232248 [1,1,0,0,0,0|1,0,1]=4 10379 B13R0.336 CCOCCCOCCCCCCF 7a_100000757476_100015922095 [1,1,0,0,0,0|1,0,1]=4 10380 B13R0.336 CCOCCCOCCCCCCN 34a_100000686447_100012232248 [1,1,0,0,0,0|1,0,1]=4 10381 B13R0.336 CCOCCCOCCCCCCO 34a_100000757476_100000766143 [1,1,0,0,0,0|1,0,1]=4 10382 B13R0.336 CCOCCCOCCCCCCO 7a_100000757476_100000766143 [1,1,0,0,0,0|1,0,1]=4 10383 B13R0.336 CCOCCCOCCCCCNC 34a_100000722520_100012232248 [1,1,0,0,0,0|1,0,1]=4 10384 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [1,1,0,0,0,0|2,0,0]=4 10385 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [1,1,0,0,0,0|2,0,0]=4 10386 B13R0.336 CCOCCCSCCCCCCF 62a_100012232248_100015922095 [1,1,0,0,0,0|1,0,1]=4 10387 B13R0.336 CCOCCCSCCCCCCF 62a_100015922095_100012232248 [1,1,0,0,0,0|1,0,1]=4 10388 B13R0.336 CCOCCCSCCCCCCO 62a_100000766143_100012232248 [1,1,0,0,0,0|1,0,1]=4 10389 B13R0.336 CCOCCCSCCCCCCO 62a_100012232248_100000766143 [1,1,0,0,0,0|1,0,1]=4 10390 B13R0.336 CCOCCNCCCCCCCO 2230a_100011996573_100011215890 [1,1,0,0,0,0|1,0,1]=4 10391 B13R0.336 CCOCCNCCCCCCCO 2230a_102516460346_100000760002 [1,1,0,0,0,0|1,0,1]=4 10392 B13R0.336 CCOCCNCCCCCCCO 34a_100011996573_100000210147 [1,1,0,0,0,0|1,0,1]=4 10393 B13R0.336 CCOCCNCCCCCCCO 34a_102516460346_100000760002 [1,1,0,0,0,0|1,0,1]=4 10394 B13R0.336 CCOCCNCCCCCCOC 2230a_102516460346_100011998445 [1,1,0,0,0,0|1,0,1]=4 10395 B13R0.336 CCOCCNCCCCCCOC 34a_102516460346_100011998445 [1,1,0,0,0,0|1,0,1]=4 10396 B13R0.336 CCOCCOCCCCCCCBr 34a_100000760002_100000210147 [1,1,0,0,0,0|1,0,1]=4 10397 B13R0.336 CCOCCOCCCCCCCBr 7a_100000760002_100011215890 [1,1,0,0,0,0|1,0,1]=4 10398 B13R0.336 CCOCCOCCCCCCCN 34a_100011996573_100000210147 [1,1,0,0,0,0|1,0,1]=4 10399 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [1,1,0,0,0,0|1,0,1]=4 10400 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [1,1,0,0,0,0|1,0,1]=4 10401 B13R0.336 CCOCCOCCCCCCOC 34a_100000210136_100011998445 [1,1,0,0,0,0|1,0,1]=4 10402 B13R0.336 CCOCCOCCCCCCOC 34a_200012092642_100000210147 [1,1,0,0,0,0|1,0,1]=4 10403 B13R0.336 CCOCCOCCCCCCOC 7a_100000210136_100011998445 [1,1,0,0,0,0|1,0,1]=4 10404 B13R0.336 CCOCCOCCCCCCOC 7a_200012092642_100011215890 [1,1,0,0,0,0|1,0,1]=4 10405 B13R0.336 CCOCCSCCCCCCCO 62a_100000210147_100000760002 [1,1,0,0,0,0|1,0,1]=4 10406 B13R0.336 CCOCCSCCCCCCCO 62a_100000760002_100011215890 [1,1,0,0,0,0|1,0,1]=4 10407 B13R0.336 CCOCCSCCCCCCOC 62a_100000210147_100011998445 [1,1,0,0,0,0|1,0,1]=4 10408 B13R0.336 CCOCCSCCCCCCOC 62a_100011998445_100011215890 [1,1,0,0,0,0|1,0,1]=4 10409 B13R0.336 CCOCSCCCCCCCCO 62a_100000033203_100000739092 [1,1,0,0,0,0|1,0,1]=4 10410 B13R0.336 CCOCSCCCCCCCCO 62a_100000739092_100000033203 [1,1,0,0,0,0|1,0,1]=4 10411 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [1,1,0,0,0,0|0,1,1]=4 10412 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [1,1,0,0,0,0|0,1,1]=4 10413 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [1,1,0,0,0,0|2,0,0]=4 10414 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [1,1,0,0,0,0|2,0,0]=4 10415 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [1,1,0,0,0,0|2,0,0]=4 10416 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [1,1,0,0,0,0|2,0,0]=4 10417 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [1,1,0,0,0,0|2,0,0]=4 10418 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [1,1,0,0,0,0|2,0,0]=4 10419 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [1,1,0,0,0,0|2,0,0]=4 10420 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [1,1,0,0,0,0|2,0,0]=4 10421 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [1,1,0,0,0,0|2,0,0]=4 10422 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [1,1,0,0,0,0|2,0,0]=4 10423 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [1,1,0,0,0,0|2,0,0]=4 10424 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [1,1,0,0,0,0|2,0,0]=4 10425 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [1,1,0,0,0,0|2,0,0]=4 10426 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [1,1,0,0,0,0|2,0,0]=4 10427 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [1,1,0,0,0,0|2,0,0]=4 10428 B13R0.336 CSCOCCCCCCCCCBr 34a_100009813782_100011218213 [1,1,0,0,0,0|1,0,1]=4 10429 B13R0.336 CSCOCCCCCCCCCCl 34a_100009868337_100011218213 [1,1,0,0,0,0|1,0,1]=4 10430 B13R0.336 CSCOCCCCCCCCCN 34a_100000078944_100011218213 [1,1,0,0,0,0|1,0,1]=4 10431 B13R0.336 FCCOCCCCCCCCCBr 34a_100009813782_100011217306 [1,1,0,0,0,0|1,0,1]=4 10432 B13R0.336 FCCOCCCCCCCCCBr 7a_100009813782_100011217306 [1,1,0,0,0,0|1,0,1]=4 10433 B13R0.336 FCCOCCCCCCCCCCl 34a_100009868337_100011217306 [1,1,0,0,0,0|1,0,1]=4 10434 B13R0.336 FCCOCCCCCCCCCCl 7a_100009868337_100011217306 [1,1,0,0,0,0|1,0,1]=4 10435 B13R0.336 FCOCCCCCCCCCCBr 34a_100009813290_100015361967 [1,1,0,0,0,0|1,0,1]=4 10436 B13R0.336 FCOCCCCCCCCCCBr 7a_100009813290_100015361967 [1,1,0,0,0,0|1,0,1]=4 10437 B13R0.336 FCOCCCCCCCCCCCl 34a_200000033068_100015361967 [1,1,0,0,0,0|1,0,1]=4 10438 B13R0.336 FCOCCCCCCCCCCCl 7a_200000033068_100015361967 [1,1,0,0,0,0|1,0,1]=4 10439 B13R0.336 NCCCCCCCCCCOCF 34a_100000066964_100015361967 [1,1,0,0,0,0|1,0,1]=4 10440 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [1,1,0,0,0,0|1,0,0]=3 10441 B13R0.336 NCCCCCCCCCOCCF 34a_100000078944_100011217306 [1,1,0,0,0,0|1,0,1]=4 10442 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [1,1,0,0,0,0|1,0,1]=4 10443 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [1,1,0,0,0,0|1,0,1]=4 10444 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [1,1,0,0,0,0|2,0,0]=4 10445 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [1,1,0,0,0,0|2,0,0]=4 10446 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [1,1,0,0,0,0|2,0,0]=4 10447 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [1,1,0,0,0,0|2,0,0]=4 10448 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [1,1,0,0,0,0|2,0,0]=4 10449 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [1,1,0,0,0,0|2,0,0]=4 10450 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [1,1,0,0,0,0|2,0,0]=4 10451 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [1,1,0,0,0,0|2,0,0]=4 10452 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [1,1,0,0,0,0|2,0,0]=4 10453 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [1,1,0,0,0,0|2,0,0]=4 10454 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [1,1,0,0,0,0|2,0,0]=4 10455 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [1,1,0,0,0,0|2,0,0]=4 10456 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [1,1,0,0,0,0|2,0,0]=4 10457 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [1,1,0,0,0,0|2,0,0]=4 10458 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [1,1,0,0,0,0|2,0,0]=4 10459 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [1,1,0,0,0,0|2,0,0]=4 10460 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [1,1,0,0,0,0|2,0,0]=4 10461 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [1,1,0,0,0,0|2,0,0]=4 10462 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [1,1,0,0,0,0|2,0,0]=4 10463 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [1,1,0,0,0,0|2,0,0]=4 10464 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [1,1,0,0,0,0|2,0,0]=4 10465 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [1,1,0,0,0,0|2,0,0]=4 10466 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [1,1,0,0,0,0|1,0,0]=3 10467 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [1,1,0,0,0,0|1,0,0]=3 10468 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [1,1,0,0,0,0|1,0,0]=3 10469 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [1,1,0,0,0,0|1,0,0]=3 10470 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [1,1,0,0,0,0|1,1,0]=4 10471 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [1,1,0,0,0,0|1,1,0]=4 10472 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [1,1,0,0,0,0|1,0,1]=4 10473 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [1,1,0,0,0,0|1,0,1]=4 10474 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [1,1,0,0,0,0|1,0,1]=4 10475 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [1,1,0,0,0,0|1,0,1]=4 10476 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [1,1,0,0,0,0|1,0,1]=4 10477 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [1,1,0,0,0,0|2,0,0]=4 10478 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [1,1,0,0,0,0|2,0,0]=4 10479 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [1,1,0,0,0,0|2,0,0]=4 10480 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_100016270725_200011218727 [1,1,0,0,0,0|2,0,0]=4 10481 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_200011215852_100102629194 [1,1,0,0,0,0|2,0,0]=4 10482 B13R0.338 C/C=C/COC(C)CCCCCCC 7a_200011215852_100102629194 [1,1,0,0,0,0|2,0,0]=4 10483 B13R0.338 C/C=C/CSC(C)CCCCCCC 62a_100102629194_200011218727 [1,1,0,0,0,0|2,0,0]=4 10484 B13R0.338 C/C=C/CSC(C)CCCCCCC 62a_200011218727_100102629194 [1,1,0,0,0,0|2,0,0]=4 10485 B13R0.338 C=COCCC(=O)CCCCCCC 1458a_100000211969_100000039644 [1,1,0,0,0,0|0,0,2]=4 10486 B13R0.338 C=COCCCNC(C)CCCCC 2230a_100000210767_200011218191 [1,1,0,0,0,0|1,0,1]=4 10487 B13R0.338 C=COCCCNC(C)CCCCC 270004a_100000210767_100000211708 [1,1,0,0,0,0|1,0,1]=4 10488 B13R0.338 C=COCCCNC(C)CCCCC 34a_100000210767_200011218191 [1,1,0,0,0,0|1,0,1]=4 10489 B13R0.338 C=COCCN(C)CCCCCCC 2230a_100000228206_100000039644 [1,1,0,0,0,0|1,0,1]=4 10490 B13R0.338 C=COCCN(C)CCCCCCC 269982a_100000228206_100000039644 [1,1,0,0,0,0|1,0,1]=4 10491 B13R0.338 CC=CCCCOC(C)CCCCC 34a_100020645299_200011218191 [1,1,0,0,0,0|2,0,0]=4 10492 B13R0.338 CC=CCOC(C)CCCCCCC 34a_200011215852_100000070051 [1,1,0,0,0,0|2,0,0]=4 10493 B13R0.338 CC=CCOC(C)CCCCCCC 7a_200011215852_100000070051 [1,1,0,0,0,0|2,0,0]=4 10494 B13R0.338 CC=CCSC(C)CCCCCCC 62a_100000070051_200011218727 [1,1,0,0,0,0|2,0,0]=4 10495 B13R0.338 CC=CCSC(C)CCCCCCC 62a_200011218727_100000070051 [1,1,0,0,0,0|2,0,0]=4 10496 B13R0.338 CCCCCC(C)NCCCCC=O 2230a_100000211957_100000139335 [1,1,0,0,0,0|2,0,0]=4 10497 B13R0.338 CCCCCC(C)NCCCOCC 2230a_100000210961_200011218191 [1,1,0,0,0,0|1,0,1]=4 10498 B13R0.338 CCCCCC(C)NCCCOCC 2230a_100000211957_100012232248 [1,1,0,0,0,0|1,0,1]=4 10499 B13R0.338 CCCCCC(C)NCCCOCC 270004a_100000210961_100000211708 [1,1,0,0,0,0|1,0,1]=4 10500 B13R0.338 CCCCCC(C)NCCCOCC 34a_100000210961_200011218191 [1,1,0,0,0,0|1,0,1]=4 10501 B13R0.338 CCCCCC(C)OCCCCC=O 7a_100011215632_100000139335 [1,1,0,0,0,0|2,0,0]=4 10502 B13R0.338 CCCCCC(C)OCCCOCC 34a_100000757476_200011218191 [1,1,0,0,0,0|1,0,1]=4 10503 B13R0.338 CCCCCC(C)OCCCOCC 34a_100011215632_100012232248 [1,1,0,0,0,0|1,0,1]=4 10504 B13R0.338 CCCCCC(C)OCCCOCC 7a_100000757476_200011218191 [1,1,0,0,0,0|1,0,1]=4 10505 B13R0.338 CCCCCC(C)OCCCOCC 7a_100011215632_100012232248 [1,1,0,0,0,0|1,0,1]=4 10506 B13R0.338 CCCCCC(C)SCCCCC=O 62a_100000139335_200011218191 [1,1,0,0,0,0|2,0,0]=4 10507 B13R0.338 CCCCCC(C)SCCCCC=O 62a_200011218191_100000139335 [1,1,0,0,0,0|2,0,0]=4 10508 B13R0.338 CCCCCC(C)SCCCOCC 62a_100012232248_200011218191 [1,1,0,0,0,0|1,0,1]=4 10509 B13R0.338 CCCCCC(C)SCCCOCC 62a_200011218191_100012232248 [1,1,0,0,0,0|1,0,1]=4 10510 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000211969_100011215890 [1,1,0,0,0,0|0,0,2]=4 10511 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000749530_100000210614 [1,1,0,0,0,0|0,0,2]=4 10512 B13R0.338 CCCCCCCC(C)SCOCC 62a_100000739092_200011218727 [1,1,0,0,0,0|1,0,1]=4 10513 B13R0.338 CCCCCCCC(C)SCOCC 62a_200011218727_100000739092 [1,1,0,0,0,0|1,0,1]=4 10514 B13R0.338 CCCCCCCN(C)CCCC=O 2230a_100000228206_200011292268 [1,1,0,0,0,0|2,0,0]=4 10515 B13R0.338 CCCCCCCN(C)CCCC=O 269982a_100000228206_200011292268 [1,1,0,0,0,0|2,0,0]=4 10516 B13R0.338 CCCCCCCN(C)CCOCC 2230a_100000228206_100011215890 [1,1,0,0,0,0|1,0,1]=4 10517 B13R0.338 CCCCCCCN(C)CCOCC 269982a_100000228206_100011215890 [1,1,0,0,0,0|1,0,1]=4 10518 B13R0.338 CCCCCCNC(C)CCOCC 270004a_100000210581_200011216536 [1,1,0,0,0,0|1,0,1]=4 10519 B13R0.338 CCCCCN(C)CCCCCC=O 2230a_100000223495_100000139337 [1,1,0,0,0,0|2,0,0]=4 10520 B13R0.338 CCCCCN(C)CCCCCC=O 269982a_100000223495_100000139337 [1,1,0,0,0,0|2,0,0]=4 10521 B13R0.1 C=C(C)CCNC(C)CCCCCC 2230a_100000210919_100000730704 [1,1,0,0,0,0|2,0,0]=4 10522 B13R0.1 C=C(C)CCNC(C)CCCCCC 34a_100000210919_100000730704 [1,1,0,0,0,0|2,0,0]=4 10523 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000210265_100000730704 [1,1,0,0,0,0|2,0,0]=4 10524 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000764851_100011215978 [1,1,0,0,0,0|2,0,0]=4 10525 B13R0.1 C=C(C)CCOC(C)CCCCCC 7a_100000210265_100000730704 [1,1,0,0,0,0|2,0,0]=4 10526 B13R0.1 C=C(C)CCSC(C)CCCCCC 62a_100000730704_100011215978 [1,1,0,0,0,0|2,0,0]=4 10527 B13R0.1 C=C(C)CCSC(C)CCCCCC 62a_100011215978_100000730704 [1,1,0,0,0,0|2,0,0]=4 10528 B13R0.1 CC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215641 [1,1,0,0,0,0|1,0,1]=4 10529 B13R0.1 CC(=O)CCCN(C)CCCCCO 269982a_100000722520_100011215641 [1,1,0,0,0,0|2,0,0]=4 10530 B13R0.1 CC(=O)OCCC(=O)CCCCCO 1458a_100102619762_100009814007 [1,1,0,0,0,0|1,0,1]=4 10531 B13R0.1 CC(=O)OCCN(C)CCCCCO 269982a_100000722520_100009814007 [1,1,0,0,0,0|2,0,0]=4 10532 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [1,1,0,0,0,0|0,0,1]=3 10533 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [1,1,0,0,0,0|1,0,1]=4 10534 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210757 [1,1,0,0,0,0|1,0,1]=4 10535 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100102632555_100000189650 [1,1,0,0,0,0|1,0,1]=4 10536 B13R0.1 CCCCCCC(=O)CCOC(=O)C 1458a_100102632555_100009814007 [1,1,0,0,0,0|0,0,1]=3 10537 B13R0.1 CCCCCCC(=O)CCOC(=O)N 1458a_100102632555_200011214921 [1,1,0,0,0,0|1,0,1]=4 10538 B13R0.1 CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210757 [1,1,0,0,0,0|0,1,1]=4 10539 B13R0.1 CCCCCCC(C)CCOC(C)C 34a_200011024964_100000210206 [1,1,0,0,0,0|1,0,1]=4 10540 B13R0.1 CCCCCCC(C)CCOC(C)C 7a_200011024964_100000210206 [1,1,0,0,0,0|1,0,1]=4 10541 B13R0.1 CCCCCCC(C)NCCC(=O)N 2230a_100000210919_100000744528 [1,1,0,0,0,0|2,0,0]=4 10542 B13R0.1 CCCCCCC(C)NCCC(=O)N 34a_100000210919_100000731001 [1,1,0,0,0,0|2,0,0]=4 10543 B13R0.1 CCCCCCC(C)NCOC(=O)C 34a_100000210919_100009813279 [1,1,0,0,0,0|1,0,0]=3 10544 B13R0.1 CCCCCCC(C)OCCC(=O)C 34a_100000759926_100011215978 [1,1,0,0,0,0|1,0,0]=3 10545 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000210265_100000053229 [1,1,0,0,0,0|1,0,0]=3 10546 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000759926_100011215978 [1,1,0,0,0,0|1,0,0]=3 10547 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000210265_100000731001 [1,1,0,0,0,0|2,0,0]=4 10548 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000757172_100011215978 [1,1,0,0,0,0|2,0,0]=4 10549 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000210265_100000744528 [1,1,0,0,0,0|2,0,0]=4 10550 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000757172_100011215978 [1,1,0,0,0,0|2,0,0]=4 10551 B13R0.1 CCCCCCC(C)OCOC(=O)C 34a_100000210265_100009813279 [1,1,0,0,0,0|1,0,0]=3 10552 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100000053229_100011215978 [1,1,0,0,0,0|1,0,0]=3 10553 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100011215978_100000053229 [1,1,0,0,0,0|1,0,0]=3 10554 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100000744528_100011215978 [1,1,0,0,0,0|2,0,0]=4 10555 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100011215978_100000744528 [1,1,0,0,0,0|2,0,0]=4 10556 B13R0.1 CCCCCCC(C)SCOC(=O)C 62a_100000076356_100011215978 [1,1,0,0,0,0|1,0,0]=3 10557 B13R0.1 CCCCCCC(C)SCOC(=O)C 62a_100011215978_100000076356 [1,1,0,0,0,0|1,0,0]=3 10558 B13R0.1 CCCCCCN(C)CCCC(=O)C 269982a_106256046315_100011215641 [1,1,0,0,0,0|1,0,0]=3 10559 B13R0.1 CCCCCCN(C)CCCC(=O)N 269982a_106256046315_100102525003 [1,1,0,0,0,0|2,0,0]=4 10560 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [1,1,0,0,0,0|2,0,0]=4 10561 B13R0.1 CCCCCCN(C)CCNC(=O)C 2230a_106256046315_100000189650 [1,1,0,0,0,0|2,0,0]=4 10562 B13R0.1 CCCCCCN(C)CCNC(=O)C 269982a_106256046315_100000189650 [1,1,0,0,0,0|2,0,0]=4 10563 B13R0.1 CCCCCCN(C)CCOC(=O)C 269982a_106256046315_100009814007 [1,1,0,0,0,0|1,0,0]=3 10564 B13R0.1 CCCCCCN(C)CCOC(=O)N 269982a_106256046315_200011214921 [1,1,0,0,0,0|2,0,0]=4 10565 B13R0.1 CCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210326 [1,1,0,0,0,0|2,0,0]=4 10566 B13R0.1 CCCCOCC(=O)CCCC(=O)C 1458a_100000757543_100011215641 [1,1,0,0,0,0|1,0,1]=4 10567 B13R0.1 CCCCOCC(=O)CCOC(=O)C 1458a_100000757543_100009814007 [1,1,0,0,0,0|1,0,1]=4 10568 B13R0.1 CCCCOCC(C)OCCC(=O)C 7a_100011217071_100000053229 [1,1,0,0,0,0|2,0,0]=4 10569 B13R0.1 CCCCOCC(C)OCOC(=O)C 34a_100011217071_100009813279 [1,1,0,0,0,0|2,0,0]=4 10570 B13R0.1 CCCCSCC(=O)CCCC(=O)C 1458a_100000191162_100011215641 [1,1,0,0,0,0|1,0,1]=4 10571 B13R0.1 CCCCSCC(=O)CCOC(=O)C 1458a_100000191162_100009814007 [1,1,0,0,0,0|1,0,1]=4 10572 B13R0.88 C=C(C)CCOCCCC(C)CCC 34a_100011713154_100000730704 [1,1,0,0,0,0|2,0,0]=4 10573 B13R0.88 C=C(C)CCOCCCC(C)CCC 7a_100011713154_100000730704 [1,1,0,0,0,0|2,0,0]=4 10574 B13R0.88 CC(=O)CCCCOCC(C)CCN 34a_106354213184_100009817362 [1,1,0,0,0,0|2,0,0]=4 10575 B13R0.88 CC(=O)OCCCCCC(=O)CCO 1458a_100011216618_100000033007 [1,1,0,0,0,0|1,0,1]=4 10576 B13R0.88 CC(=O)OCCCCCN(C)CCO 2230a_100000210263_100009813381 [1,1,0,0,0,0|2,0,0]=4 10577 B13R0.88 CC(=O)OCCCCCN(C)CCO 269982a_100000210263_100000033007 [1,1,0,0,0,0|2,0,0]=4 10578 B13R0.88 CC(=O)OCCCCN[C@H](C)CCO 34a_100000706166_100000033659 [1,1,0,0,0,0|2,0,0]=4 10579 B13R0.88 CC(=O)OCCCCOC(C)CCBr 34a_100012276601_100000033659 [1,1,0,0,0,0|2,0,0]=4 10580 B13R0.88 CC(=O)OCCCCOC(C)CCO 34a_100000073216_100009893172 [1,1,0,0,0,0|2,0,0]=4 10581 B13R0.88 CC(=O)OCCCCOC(C)CCO 7a_100000073216_100009893172 [1,1,0,0,0,0|2,0,0]=4 10582 B13R0.88 CC(=O)OCCCCSC(C)CCO 62a_100000033659_100009893172 [1,1,0,0,0,0|2,0,0]=4 10583 B13R0.88 CC(=O)OCCCCSC(C)CCO 62a_100009893172_100000033659 [1,1,0,0,0,0|2,0,0]=4 10584 B13R0.88 CC(=O)OCCCOCC(C)CCN 34a_106354213184_100000042594 [1,1,0,0,0,0|2,0,0]=4 10585 B13R0.88 CCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210303 [1,1,0,0,0,0|1,0,1]=4 10586 B13R0.88 CCCC(=O)CCCCCOC(=O)C 1458a_100000211992_100000033007 [1,1,0,0,0,0|0,0,1]=3 10587 B13R0.88 CCCC(=O)CCOCCOC(=O)C 1458a_100000211992_200000083610 [1,1,0,0,0,0|1,0,1]=4 10588 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747444 [1,1,0,0,0,0|1,0,1]=4 10589 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000747444_100000735457 [1,1,0,0,0,0|1,0,1]=4 10590 B13R0.88 CCCC(=O)CSCCCOC(=O)C 62a_100000042594_100000747444 [1,1,0,0,0,0|1,0,1]=4 10591 B13R0.88 CCCC(=O)CSCCCOC(=O)C 62a_100000747444_100000042594 [1,1,0,0,0,0|1,0,1]=4 10592 B13R0.88 CCCC(C)CCCOCCC(=O)C 7a_100011713154_100000053229 [1,1,0,0,0,0|1,0,0]=3 10593 B13R0.88 CCCC(C)CCCOCCC(=O)N 34a_100011713154_100000731001 [1,1,0,0,0,0|2,0,0]=4 10594 B13R0.88 CCCC(C)CCCOCCC(=O)N 7a_100011713154_100000744528 [1,1,0,0,0,0|2,0,0]=4 10595 B13R0.88 CCCC(C)CCCOCOC(=O)C 34a_100011713154_100009813279 [1,1,0,0,0,0|1,0,0]=3 10596 B13R0.88 CCCC(C)CCOCCCC(=O)C 34a_100011217855_100000685027 [1,1,0,0,0,0|1,0,0]=3 10597 B13R0.88 CCCC(C)CCOCCCC(=O)C 7a_100011217855_100011215641 [1,1,0,0,0,0|1,0,0]=3 10598 B13R0.88 CCCC(C)CCOCCCC(=O)N 34a_100011217855_100102525003 [1,1,0,0,0,0|2,0,0]=4 10599 B13R0.88 CCCC(C)CCOCCCC(=O)N 7a_100011217855_100102525003 [1,1,0,0,0,0|2,0,0]=4 10600 B13R0.88 CCCC(C)CCOCCNC(=O)C 7a_100011217855_100000189650 [1,1,0,0,0,0|2,0,0]=4 10601 B13R0.88 CCCC(C)CCOCCOC(=O)C 34a_100011217855_100009814007 [1,1,0,0,0,0|1,0,0]=3 10602 B13R0.88 CCCC(C)CCOCCOC(=O)C 7a_100011217855_100009814007 [1,1,0,0,0,0|1,0,0]=3 10603 B13R0.88 CCCC(C)CCOCCOC(=O)N 34a_100011217855_200011214921 [1,1,0,0,0,0|2,0,0]=4 10604 B13R0.88 CCCC(C)CCOCCOC(=O)N 7a_100011217855_200011214921 [1,1,0,0,0,0|2,0,0]=4 10605 B13R0.88 CCCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243154 [1,1,0,0,0,0|2,0,0]=4 10606 B13R0.88 CCCC(C)CNCCCCC(=O)N 34a_100000696515_100011216630 [1,1,0,0,0,0|2,0,0]=4 10607 B13R0.88 CCCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243154 [1,1,0,0,0,0|2,0,0]=4 10608 B13R0.88 CCCC(C)CNCCCNC(=O)C 34a_100000736810_100011216630 [1,1,0,0,0,0|2,0,0]=4 10609 B13R0.88 CCCC(C)COCCCCC(=O)C 34a_100000688023_100009817362 [1,1,0,0,0,0|1,0,0]=3 10610 B13R0.88 CCCC(C)COCCCCC(=O)C 7a_100000688023_100000735457 [1,1,0,0,0,0|1,0,0]=3 10611 B13R0.88 CCCC(C)COCCCCC(=O)N 34a_100012022536_100011216630 [1,1,0,0,0,0|2,0,0]=4 10612 B13R0.88 CCCC(C)COCCCCC(=O)N 7a_100012022536_100011216630 [1,1,0,0,0,0|2,0,0]=4 10613 B13R0.88 CCCC(C)COCCCNC(=O)C 34a_100000752032_100011216630 [1,1,0,0,0,0|2,0,0]=4 10614 B13R0.88 CCCC(C)COCCCOC(=O)C 34a_100000688023_100000042594 [1,1,0,0,0,0|1,0,0]=3 10615 B13R0.88 CCCC(C)COCCCOC(=O)C 7a_100000688023_100000042594 [1,1,0,0,0,0|1,0,0]=3 10616 B13R0.88 CCCC(C)COCCCOC(=S)C 34a_100000688023_200135323944 [1,1,0,0,0,0|1,1,0]=4 10617 B13R0.88 CCCC(C)COCCCOC(=S)C 7a_100000688023_200135323944 [1,1,0,0,0,0|1,1,0]=4 10618 B13R0.88 CCCC(C)COCCCSC(=O)C 34a_100000688023_100000038929 [1,1,0,0,0,0|1,1,0]=4 10619 B13R0.88 CCCC(C)COCCCSC(=O)C 7a_100000688023_100000038929 [1,1,0,0,0,0|1,1,0]=4 10620 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100000735457_100011216630 [1,1,0,0,0,0|1,0,0]=3 10621 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100011216630_100000735457 [1,1,0,0,0,0|1,0,0]=3 10622 B13R0.88 CCCC(C)CSCCCOC(=O)C 62a_100000042594_100011216630 [1,1,0,0,0,0|1,0,0]=3 10623 B13R0.88 CCCC(C)CSCCCOC(=O)C 62a_100011216630_100000042594 [1,1,0,0,0,0|1,0,0]=3 10624 B13R0.88 CCCC(C)CSCCCOC(=S)C 62a_100011216630_200135323944 [1,1,0,0,0,0|1,1,0]=4 10625 B13R0.88 CCCC(C)CSCCCOC(=S)C 62a_200135323944_100011216630 [1,1,0,0,0,0|1,1,0]=4 10626 B13R0.88 CCCC(C)CSCCCSC(=O)C 62a_100000038929_100011216630 [1,1,0,0,0,0|1,1,0]=4 10627 B13R0.88 CCCC(C)CSCCCSC(=O)C 62a_100011216630_100000038929 [1,1,0,0,0,0|1,1,0]=4 10628 B13R0.88 CCCC(C)NCCCCCC(=O)N 2230a_100000741246_100009817443 [1,1,0,0,0,0|2,0,0]=4 10629 B13R0.88 CCCC(C)NCCCCNC(=O)C 2230a_200011368371_100000766640 [1,1,0,0,0,0|2,0,0]=4 10630 B13R0.88 CCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000211909 [1,1,0,0,0,0|2,0,0]=4 10631 B13R0.88 CCCC(C)NCCCCNC(=O)C 34a_200011368371_100000766640 [1,1,0,0,0,0|2,0,0]=4 10632 B13R0.88 CCCC(C)NCCCCSC(=O)C 2230a_100000741246_200010402107 [1,1,0,0,0,0|1,1,0]=4 10633 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000123541_100000766640 [1,1,0,0,0,0|2,0,0]=4 10634 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000764384_100009817443 [1,1,0,0,0,0|2,0,0]=4 10635 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000123541_100000766640 [1,1,0,0,0,0|2,0,0]=4 10636 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000764384_100009817443 [1,1,0,0,0,0|2,0,0]=4 10637 B13R0.88 CCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000766640 [1,1,0,0,0,0|2,0,0]=4 10638 B13R0.88 CCCC(C)OCCCCOC(=O)C 34a_100000073216_100000766640 [1,1,0,0,0,0|1,0,0]=3 10639 B13R0.88 CCCC(C)OCCCCOC(=O)C 34a_100000764384_100000033659 [1,1,0,0,0,0|1,0,0]=3 10640 B13R0.88 CCCC(C)OCCCCOC(=O)C 7a_100000073216_100000766640 [1,1,0,0,0,0|1,0,0]=3 10641 B13R0.88 CCCC(C)OCCCCOC(=O)C 7a_100000764384_100000033659 [1,1,0,0,0,0|1,0,0]=3 10642 B13R0.88 CCCC(C)OCCCCSC(=O)C 34a_100000764384_200010402107 [1,1,0,0,0,0|1,1,0]=4 10643 B13R0.88 CCCC(C)OCCCCSC(=O)C 7a_100000764384_200010402107 [1,1,0,0,0,0|1,1,0]=4 10644 B13R0.88 CCCC(C)OCOCCOC(=O)C 34a_100000764384_100000076355 [1,1,0,0,0,0|2,0,0]=4 10645 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100000766640_100009817443 [1,1,0,0,0,0|2,0,0]=4 10646 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100009817443_100000766640 [1,1,0,0,0,0|2,0,0]=4 10647 B13R0.88 CCCC(C)SCCCCOC(=O)C 62a_100000033659_100000766640 [1,1,0,0,0,0|1,0,0]=3 10648 B13R0.88 CCCC(C)SCCCCOC(=O)C 62a_100000766640_100000033659 [1,1,0,0,0,0|1,0,0]=3 10649 B13R0.88 CCCC(C)SCCCCSC(=O)C 62a_100000766640_200010402107 [1,1,0,0,0,0|1,1,0]=4 10650 B13R0.88 CCCC(C)SCCCCSC(=O)C 62a_200010402107_100000766640 [1,1,0,0,0,0|1,1,0]=4 10651 B13R0.88 CCCC(C)SCOCCOC(=O)C 62a_100000076355_100000766640 [1,1,0,0,0,0|2,0,0]=4 10652 B13R0.88 CCCC(C)SCOCCOC(=O)C 62a_100000766640_100000076355 [1,1,0,0,0,0|2,0,0]=4 10653 B13R0.88 CCCN(C)CCCCCOC(=O)C 2230a_100000747261_100009813381 [1,1,0,0,0,0|1,0,0]=3 10654 B13R0.88 CCCN(C)CCCCCOC(=O)C 269982a_100000747261_100000033007 [1,1,0,0,0,0|1,0,0]=3 10655 B13R0.88 CCCN(C)CCOCCOC(=O)C 2230a_100000747261_200000083610 [1,1,0,0,0,0|2,0,0]=4 10656 B13R0.88 CCCN(C)CCOCCOC(=O)C 269982a_100000747261_200000083610 [1,1,0,0,0,0|2,0,0]=4 10657 B13R0.88 CCC[C@H](N)CCOCCCC(=O)C 34a_100015193777_100000685027 [1,1,0,0,0,0|1,0,0]=3 10658 B13R0.88 CCC[C@H](N)CCOCCCC(=O)N 34a_100015193777_100102525003 [1,1,0,0,0,0|2,0,0]=4 10659 B13R0.88 CCC[C@H](N)CCOCCOC(=O)C 34a_100015193777_100009814007 [1,1,0,0,0,0|1,0,0]=3 10660 B13R0.88 CCC[C@H](N)CCOCCOC(=O)N 34a_100015193777_200011214921 [1,1,0,0,0,0|2,0,0]=4 10661 B13R0.88 CCC[C@H](N)COCCCCC(=O)C 34a_100000732646_100009817362 [1,1,0,0,0,0|1,0,0]=3 10662 B13R0.88 CCC[C@H](N)COCCCOC(=O)C 34a_100000732646_100000042594 [1,1,0,0,0,0|1,0,0]=3 10663 B13R0.88 CCC[C@H](N)COCCCOC(=S)C 34a_100000732646_200135323944 [1,1,0,0,0,0|1,1,0]=4 10664 B13R0.88 CCC[C@H](N)COCCCSC(=O)C 34a_100000732646_100000038929 [1,1,0,0,0,0|1,1,0]=4 10665 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [1,1,0,0,0,0|1,0,1]=4 10666 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [1,1,0,0,0,0|1,0,1]=4 10667 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [1,1,0,0,0,0|1,0,1]=4 10668 B13R0.88 COCC(=O)CCCCCOC(=O)C 1458a_100000210968_100000033007 [1,1,0,0,0,0|1,0,1]=4 10669 B13R0.88 COCC(C)OCCCCOC(=O)C 34a_100000073216_100000765312 [1,1,0,0,0,0|2,0,0]=4 10670 B13R0.88 COCC(C)OCCCCOC(=O)C 7a_100000073216_100000765312 [1,1,0,0,0,0|2,0,0]=4 10671 B13R0.88 COCC(C)SCCCCOC(=O)C 62a_100000033659_100000765312 [1,1,0,0,0,0|2,0,0]=4 10672 B13R0.88 COCC(C)SCCCCOC(=O)C 62a_100000765312_100000033659 [1,1,0,0,0,0|2,0,0]=4 10673 B13R0.88 COCC(N)COCCCCC(=O)C 34a_100000724102_100009817362 [1,1,0,0,0,0|2,0,0]=4 10674 B13R0.88 COCC(N)COCCCOC(=O)C 34a_100000724102_100000042594 [1,1,0,0,0,0|2,0,0]=4 10675 B13R0.88 COCC(O)CNCCCCC(=O)C 34a_100000756049_100009817362 [1,1,0,0,0,0|2,0,0]=4 10676 B13R0.88 COCC(O)CNCCCOC(=O)C 34a_100000756049_100000042594 [1,1,0,0,0,0|2,0,0]=4 10677 B13R0.88 COCC(O)CSCCCCC(=O)C 62a_100000735457_100011215053 [1,1,0,0,0,0|2,0,0]=4 10678 B13R0.88 COCC(O)CSCCCCC(=O)C 62a_100011215053_100000735457 [1,1,0,0,0,0|2,0,0]=4 10679 B13R0.88 COCC(O)CSCCCOC(=O)C 62a_100000042594_100011215053 [1,1,0,0,0,0|2,0,0]=4 10680 B13R0.88 COCC(O)CSCCCOC(=O)C 62a_100011215053_100000042594 [1,1,0,0,0,0|2,0,0]=4 10681 B13R0.88 COC[C@@H](C)OCCCCOC(=O)C 34a_100011934205_100000033659 [1,1,0,0,0,0|2,0,0]=4 10682 B13R0.88 CSCC(=O)CCCCCOC(=O)C 1458a_100000184570_100000033007 [1,1,0,0,0,0|1,0,1]=4 10683 B13R0.119 CC(=O)CCCCOC(C)CCCCl 34a_200000718107_100009817362 [1,1,0,0,0,0|2,0,0]=4 10684 B13R0.119 CC(=O)CCCCOC(C)CCCCl 7a_200000718107_100000735457 [1,1,0,0,0,0|2,0,0]=4 10685 B13R0.119 CC(=O)CCCNC[C@H](C)CCCO 34a_100160569302_100000685027 [1,1,0,0,0,0|2,0,0]=4 10686 B13R0.119 CC(=O)OCCCCN(C)CCCO 269982a_100000213112_100000033659 [1,1,0,0,0,0|2,0,0]=4 10687 B13R0.119 CC(=O)OCCCOC(C)CCCCl 34a_200000718107_100000042594 [1,1,0,0,0,0|2,0,0]=4 10688 B13R0.119 CC(=O)OCCCOC(C)CCCCl 7a_200000718107_100000042594 [1,1,0,0,0,0|2,0,0]=4 10689 B13R0.119 CC(=O)OCCNC[C@H](C)CCCO 34a_100160569302_100009814007 [1,1,0,0,0,0|2,0,0]=4 10690 B13R0.119 CCCCC(=O)CCCCCC(=O)N 1458a_100000210183_100009817443 [1,1,0,0,0,0|1,0,1]=4 10691 B13R0.119 CCCCC(=O)CCCCOC(=O)C 1458a_100000210183_100000033659 [1,1,0,0,0,0|0,0,1]=3 10692 B13R0.119 CCCCC(=O)CCCCSC(=O)C 1458a_100000210183_200010402107 [1,1,0,0,0,0|0,1,1]=4 10693 B13R0.119 CCCCC(C)CCCCOC(C)C 34a_200011021034_100000210206 [1,1,0,0,0,0|1,0,1]=4 10694 B13R0.119 CCCCC(C)CCCCOC(C)C 7a_200011021034_100000210206 [1,1,0,0,0,0|1,0,1]=4 10695 B13R0.119 CCCCC(C)COCCCC(=O)C 34a_100011995851_100000685027 [1,1,0,0,0,0|1,0,0]=3 10696 B13R0.119 CCCCC(C)COCCCC(=O)C 7a_100011995851_100011215641 [1,1,0,0,0,0|1,0,0]=3 10697 B13R0.119 CCCCC(C)COCCCC(=O)N 34a_100011995851_100102525003 [1,1,0,0,0,0|2,0,0]=4 10698 B13R0.119 CCCCC(C)COCCCC(=O)N 7a_100011995851_100102525003 [1,1,0,0,0,0|2,0,0]=4 10699 B13R0.119 CCCCC(C)COCCNC(=O)C 7a_100011995851_100000189650 [1,1,0,0,0,0|2,0,0]=4 10700 B13R0.119 CCCCC(C)COCCOC(=O)C 34a_100011995851_100009814007 [1,1,0,0,0,0|1,0,0]=3 10701 B13R0.119 CCCCC(C)COCCOC(=O)C 7a_100011995851_100009814007 [1,1,0,0,0,0|1,0,0]=3 10702 B13R0.119 CCCCC(C)COCCOC(=O)N 34a_100011995851_200011214921 [1,1,0,0,0,0|2,0,0]=4 10703 B13R0.119 CCCCC(C)COCCOC(=O)N 7a_100011995851_200011214921 [1,1,0,0,0,0|2,0,0]=4 10704 B13R0.119 CCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210087 [1,1,0,0,0,0|2,0,0]=4 10705 B13R0.119 CCCCC(C)NCCCCC(=O)N 34a_100000696515_200011215066 [1,1,0,0,0,0|2,0,0]=4 10706 B13R0.119 CCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210087 [1,1,0,0,0,0|2,0,0]=4 10707 B13R0.119 CCCCC(C)NCCCNC(=O)C 34a_100000736810_200011215066 [1,1,0,0,0,0|2,0,0]=4 10708 B13R0.119 CCCCC(C)NCCCOC(=S)C 2230a_100000126638_200135323944 [1,1,0,0,0,0|1,1,0]=4 10709 B13R0.119 CCCCC(C)NCCCSC(=O)C 2230a_100000126638_100000038929 [1,1,0,0,0,0|1,1,0]=4 10710 B13R0.119 CCCCC(C)OCCCCC(=O)C 34a_100000687866_100009817362 [1,1,0,0,0,0|1,0,0]=3 10711 B13R0.119 CCCCC(C)OCCCCC(=O)C 7a_100000687866_100000735457 [1,1,0,0,0,0|1,0,0]=3 10712 B13R0.119 CCCCC(C)OCCCCC(=O)N 34a_100012022536_200011215066 [1,1,0,0,0,0|2,0,0]=4 10713 B13R0.119 CCCCC(C)OCCCCC(=O)N 7a_100012022536_200011215066 [1,1,0,0,0,0|2,0,0]=4 10714 B13R0.119 CCCCC(C)OCCCNC(=O)C 34a_100000752032_200011215066 [1,1,0,0,0,0|2,0,0]=4 10715 B13R0.119 CCCCC(C)OCCCOC(=O)C 34a_100000687866_100000042594 [1,1,0,0,0,0|1,0,0]=3 10716 B13R0.119 CCCCC(C)OCCCOC(=O)C 7a_100000687866_100000042594 [1,1,0,0,0,0|1,0,0]=3 10717 B13R0.119 CCCCC(C)OCCCOC(=S)C 34a_100000687866_200135323944 [1,1,0,0,0,0|1,1,0]=4 10718 B13R0.119 CCCCC(C)OCCCOC(=S)C 7a_100000687866_200135323944 [1,1,0,0,0,0|1,1,0]=4 10719 B13R0.119 CCCCC(C)OCCCSC(=O)C 34a_100000687866_100000038929 [1,1,0,0,0,0|1,1,0]=4 10720 B13R0.119 CCCCC(C)OCCCSC(=O)C 7a_100000687866_100000038929 [1,1,0,0,0,0|1,1,0]=4 10721 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_100000735457_200011215066 [1,1,0,0,0,0|1,0,0]=3 10722 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_200011215066_100000735457 [1,1,0,0,0,0|1,0,0]=3 10723 B13R0.119 CCCCC(C)SCCCOC(=O)C 62a_100000042594_200011215066 [1,1,0,0,0,0|1,0,0]=3 10724 B13R0.119 CCCCC(C)SCCCOC(=O)C 62a_200011215066_100000042594 [1,1,0,0,0,0|1,0,0]=3 10725 B13R0.119 CCCCC(C)SCCCOC(=S)C 62a_200011215066_200135323944 [1,1,0,0,0,0|1,1,0]=4 10726 B13R0.119 CCCCC(C)SCCCOC(=S)C 62a_200135323944_200011215066 [1,1,0,0,0,0|1,1,0]=4 10727 B13R0.119 CCCCC(C)SCCCSC(=O)C 62a_100000038929_200011215066 [1,1,0,0,0,0|1,1,0]=4 10728 B13R0.119 CCCCC(C)SCCCSC(=O)C 62a_200011215066_100000038929 [1,1,0,0,0,0|1,1,0]=4 10729 B13R0.119 CCCCN(C)CCCCCC(=O)N 2230a_100000207549_100009817443 [1,1,0,0,0,0|2,0,0]=4 10730 B13R0.119 CCCCN(C)CCCCCC(=O)N 269982a_100000207549_100009817443 [1,1,0,0,0,0|2,0,0]=4 10731 B13R0.119 CCCCN(C)CCCCOC(=O)C 269982a_100000207549_100000033659 [1,1,0,0,0,0|1,0,0]=3 10732 B13R0.119 CCCCN(C)CCCCSC(=O)C 2230a_100000207549_200010402107 [1,1,0,0,0,0|1,1,0]=4 10733 B13R0.119 CCCCN(C)CCCCSC(=O)C 269982a_100000207549_200010402107 [1,1,0,0,0,0|1,1,0]=4 10734 B13R0.119 CCCCN(C)COCCOC(=O)C 269982a_100000207549_100000076355 [1,1,0,0,0,0|2,0,0]=4 10735 B13R0.119 CCCC[C@H](N)COCCCC(=O)C 34a_100011934283_100000685027 [1,1,0,0,0,0|1,0,0]=3 10736 B13R0.119 CCCC[C@H](N)COCCCC(=O)N 34a_100011934283_100102525003 [1,1,0,0,0,0|2,0,0]=4 10737 B13R0.119 CCCC[C@H](N)COCCOC(=O)C 34a_100011934283_100009814007 [1,1,0,0,0,0|1,0,0]=3 10738 B13R0.119 CCCC[C@H](N)COCCOC(=O)N 34a_100011934283_200011214921 [1,1,0,0,0,0|2,0,0]=4 10739 B13R0.119 CCCOC(C)CNCCCC(=O)C 34a_100015185124_100000685027 [1,1,0,0,0,0|2,0,0]=4 10740 B13R0.119 CCCOC(C)CNCCOC(=O)C 34a_100015185124_100009814007 [1,1,0,0,0,0|2,0,0]=4 10741 B13R0.119 CCOCC(=O)CCCCOC(=O)C 1458a_100000211967_100000033659 [1,1,0,0,0,0|1,0,1]=4 10742 B13R0.119 CCOCC(C)OCCCCC(=O)C 34a_100000718985_100009817362 [1,1,0,0,0,0|2,0,0]=4 10743 B13R0.119 CCOCC(C)OCCCCC(=O)C 7a_100000718985_100000735457 [1,1,0,0,0,0|2,0,0]=4 10744 B13R0.119 CCOCC(C)OCCCOC(=O)C 34a_100000718985_100000042594 [1,1,0,0,0,0|2,0,0]=4 10745 B13R0.119 CCOCC(C)OCCCOC(=O)C 7a_100000718985_100000042594 [1,1,0,0,0,0|2,0,0]=4 10746 B13R0.119 CCOCC(O)CNCCCC(=O)C 34a_102515437182_100000685027 [1,1,0,0,0,0|2,0,0]=4 10747 B13R0.119 CCOCC(O)CNCCOC(=O)C 34a_102515437182_100009814007 [1,1,0,0,0,0|2,0,0]=4 10748 B13R0.119 CCSCC(=O)CCCCOC(=O)C 1458a_100000230394_100000033659 [1,1,0,0,0,0|1,0,1]=4 10749 B13R0.119 COCCC(=O)CCCCOC(=O)C 1458a_100000749529_100000033659 [1,1,0,0,0,0|1,0,1]=4 10750 B13R0.119 COCCN(C)CCCCOC(=O)C 269982a_100000743101_100000033659 [1,1,0,0,0,0|2,0,0]=4 10751 B13R0.119 CSCCC(=O)CCCCOC(=O)C 1458a_100000174002_100000033659 [1,1,0,0,0,0|1,0,1]=4 10752 B13R0.119 CSCCN(C)CCCCOC(=O)C 269982a_100000686725_100000033659 [1,1,0,0,0,0|2,0,0]=4 10753 B13R0.119 CSCC[C@H](N)COCCCC(=O)C 34a_100011827619_100000685027 [1,1,0,0,0,0|2,0,0]=4 10754 B13R0.119 CSCC[C@H](N)COCCOC(=O)C 34a_100011827619_100009814007 [1,1,0,0,0,0|2,0,0]=4 10755 B13R0.150 C=C(C)C(=O)CCCCCCCCC 1458a_100000185857_100000210670 [1,1,0,0,0,0|1,0,1]=4 10756 B13R0.150 C=C(C)C(C)NCCCCCCCC 269862a_100000229939_100011216138 [1,1,0,0,0,0|2,0,0]=4 10757 B13R0.150 CC(=O)C(C)COCCCCCCF 34a_100000032740_100015922095 [1,1,0,0,0,0|2,0,0]=4 10758 B13R0.150 CC(=O)C(C)COCCCCCCF 7a_100000032740_100015922095 [1,1,0,0,0,0|2,0,0]=4 10759 B13R0.150 CC(=O)C(C)COCCCCCCO 34a_100000032740_100000766143 [1,1,0,0,0,0|2,0,0]=4 10760 B13R0.150 CC(=O)C(C)COCCCCCCO 7a_100000032740_100000766143 [1,1,0,0,0,0|2,0,0]=4 10761 B13R0.150 CC(=O)C(C)NCCCCCCCO 2230a_100011996573_100009814033 [1,1,0,0,0,0|2,0,0]=4 10762 B13R0.150 CC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000179758 [1,1,0,0,0,0|2,0,0]=4 10763 B13R0.150 CC(=O)C(C)OCCCCCCCO 34a_100000212229_100000760002 [1,1,0,0,0,0|2,0,0]=4 10764 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100000760002_100009814033 [1,1,0,0,0,0|2,0,0]=4 10765 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100009814033_100000760002 [1,1,0,0,0,0|2,0,0]=4 10766 B13R0.150 CCCCCCCCCC(C)N(C)C 270004a_100102631434_100011215753 [1,1,0,0,0,0|2,0,0]=4 10767 B13R0.150 CCCCCCCCCN(C)C(=O)C 11a_100000232482_100015343762 [1,1,0,0,0,0|1,0,0]=3 10768 B13R0.150 CCCCCCCCCN(C)C(=O)C 1626a_100000232482_100015343762 [1,1,0,0,0,0|1,0,0]=3 10769 B13R0.150 CCCCCCCCCN(C)C(=O)C 240690a_100000232482_100015343762 [1,1,0,0,0,0|1,0,0]=3 10770 B13R0.150 CCCCCCCCCN(C)C(=O)C 527a_100000232482_100103153847 [1,1,0,0,0,0|1,0,0]=3 10771 B13R0.150 CCCCCCCCNC(C)C(=O)C 2230a_100000229939_100009814033 [1,1,0,0,0,0|1,0,0]=3 10772 B13R0.150 CCCCCCCCNC(C)C(=O)N 2230a_100000229939_100000702099 [1,1,0,0,0,0|2,0,0]=4 10773 B13R0.150 CCCCCCCCNC(C)C(=O)N 34a_100000229939_100000702099 [1,1,0,0,0,0|2,0,0]=4 10774 B13R0.150 CCCCCCCCNC(F)C(=O)N 2230a_100000229939_100009813875 [1,1,0,0,0,0|2,0,0]=4 10775 B13R0.150 CCCCCCCCNC(F)C(=O)N 34a_100000229939_100009813875 [1,1,0,0,0,0|2,0,0]=4 10776 B13R0.150 CCCCCCCCNC(F)C(=O)[O-] 34a_100000229939_100020610796 [1,1,0,0,0,0|2,0,0]=4 10777 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [1,1,0,0,0,0|2,0,0]=4 10778 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210759 [1,1,0,0,0,0|2,0,0]=4 10779 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210759 [1,1,0,0,0,0|2,0,0]=4 10780 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [1,1,0,0,0,0|1,0,0]=3 10781 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [1,1,0,0,0,0|1,0,0]=3 10782 B13R0.150 CCCCCCCCOC(C)C(=O)N 34a_100000210232_100000702099 [1,1,0,0,0,0|2,0,0]=4 10783 B13R0.150 CCCCCCCCOC(C)C(=O)N 7a_100000210232_100000702099 [1,1,0,0,0,0|2,0,0]=4 10784 B13R0.150 CCCCCCCCOC(F)C(=O)N 34a_100000210232_100009813875 [1,1,0,0,0,0|2,0,0]=4 10785 B13R0.150 CCCCCCCCOC(F)C(=O)N 7a_100000210232_100009813875 [1,1,0,0,0,0|2,0,0]=4 10786 B13R0.150 CCCCCCCCOC(F)C(=O)[O-] 34a_100000210232_100020610796 [1,1,0,0,0,0|2,0,0]=4 10787 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210759 [1,1,0,0,0,0|2,0,0]=4 10788 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210759 [1,1,0,0,0,0|2,0,0]=4 10789 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210759 [1,1,0,0,0,0|2,0,0]=4 10790 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100000210759_100009814033 [1,1,0,0,0,0|1,0,0]=3 10791 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210317 [1,1,0,0,0,0|1,0,0]=3 10792 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000210759_100000702099 [1,1,0,0,0,0|2,0,0]=4 10793 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210317 [1,1,0,0,0,0|2,0,0]=4 10794 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100000210759_100009813875 [1,1,0,0,0,0|2,0,0]=4 10795 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210317 [1,1,0,0,0,0|2,0,0]=4 10796 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100000210759_100020610796 [1,1,0,0,0,0|2,0,0]=4 10797 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210317 [1,1,0,0,0,0|2,0,0]=4 10798 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [1,1,0,0,0,0|2,0,0]=4 10799 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [1,1,0,0,0,0|2,0,0]=4 10800 B13R0.150 CCCCCCCOCC(=O)C(=O)C 34a_100000210272_100011261029 [1,1,0,0,0,0|1,0,1]=4 10801 B13R0.150 CCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210614 [1,1,0,0,0,0|1,0,0]=3 10802 B13R0.150 CCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210614 [1,1,0,0,0,0|1,0,0]=3 10803 B13R0.150 CCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210614 [1,1,0,0,0,0|2,0,0]=4 10804 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100000210614_100011261029 [1,1,0,0,0,0|1,0,1]=4 10805 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210316 [1,1,0,0,0,0|1,0,1]=4 10806 B13R0.150 CCCCCOCCOC(C)C(=O)C 7a_100011215259_100000179758 [1,1,0,0,0,0|2,0,0]=4 10807 B13R0.150 CCCCOCCCNC(C)C(=O)C 2230a_200000211371_100009814033 [1,1,0,0,0,0|2,0,0]=4 10808 B13R0.150 CCCCOCCCOC(C)C(=O)C 7a_200011215613_100000179758 [1,1,0,0,0,0|2,0,0]=4 10809 B13R0.150 CCCCOCCOCC(C)C(=O)C 34a_100000032740_100000743108 [1,1,0,0,0,0|2,0,0]=4 10810 B13R0.150 CCCCOCCOCC(C)C(=O)C 7a_100000032740_100000743108 [1,1,0,0,0,0|2,0,0]=4 10811 B13R0.150 COCCCCCCOC(C)C(=O)C 34a_100000212229_100011998445 [1,1,0,0,0,0|2,0,0]=4 10812 B13R0.150 COCCCCCCOC(C)C(=O)C 7a_200012092642_100000179758 [1,1,0,0,0,0|2,0,0]=4 10813 B13R0.150 COCCCCCCSC(C)C(=O)C 62a_100009814033_100011998445 [1,1,0,0,0,0|2,0,0]=4 10814 B13R0.150 COCCCCCCSC(C)C(=O)C 62a_100011998445_100009814033 [1,1,0,0,0,0|2,0,0]=4 10815 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_100000211969_100000730704 [1,1,0,0,0,0|1,0,1]=4 10816 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_200000688413_100000210614 [1,1,0,0,0,0|1,0,1]=4 10817 B13R0.154 C=C(C)CCC(C)NCCCCCC 270004a_100000210581_100011215600 [1,1,0,0,0,0|2,0,0]=4 10818 B13R0.154 C=C(C)CCN(C)CCCCCCC 2230a_100000228206_100000730704 [1,1,0,0,0,0|2,0,0]=4 10819 B13R0.154 C=C(C)CCN(C)CCCCCCC 269982a_100000228206_100000730704 [1,1,0,0,0,0|2,0,0]=4 10820 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_100000210245_200011218727 [1,1,0,0,0,0|2,0,0]=4 10821 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_200011215852_100000748629 [1,1,0,0,0,0|2,0,0]=4 10822 B13R0.154 C=C(C)COC(C)CCCCCCC 7a_200011215852_100000748629 [1,1,0,0,0,0|2,0,0]=4 10823 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_100000748629_200011218727 [1,1,0,0,0,0|2,0,0]=4 10824 B13R0.154 C=C(C)CSC(C)CCCCCCC 62a_200011218727_100000211660 [1,1,0,0,0,0|2,0,0]=4 10825 B13R0.154 CC(=O)OCC(=O)CCCCCCF 1458a_100000183556_100015922095 [1,1,0,0,0,0|1,0,1]=4 10826 B13R0.154 CC(=O)OCC(=O)CCCCCCO 1458a_100000183556_100000766143 [1,1,0,0,0,0|1,0,1]=4 10827 B13R0.154 CC(=O)OCC(C)NCCCCCO 270004a_100000762737_100000000629 [1,1,0,0,0,0|2,0,0]=4 10828 B13R0.154 CC(=O)OCC(O)CNCCCCO 34a_100000750430_200000139349 [1,1,0,0,0,0|2,0,0]=4 10829 B13R0.154 CC(=O)OCC(O)COCCCCBr 34a_100011216708_200000139349 [1,1,0,0,0,0|2,0,0]=4 10830 B13R0.154 CC(=O)OCC(O)COCCCCCl 34a_100000210776_200000139349 [1,1,0,0,0,0|2,0,0]=4 10831 B13R0.154 CC(=O)OCC(O)COCCCCCl 7a_100000210776_200000139349 [1,1,0,0,0,0|2,0,0]=4 10832 B13R0.154 CC(=O)OCC(O)COCCCCF 34a_100011995726_200000139349 [1,1,0,0,0,0|2,0,0]=4 10833 B13R0.154 CC(=O)OCC(O)COCCCCF 7a_100011995726_200000139349 [1,1,0,0,0,0|2,0,0]=4 10834 B13R0.154 CC(=O)OCC(O)COCCCCI 34a_200012148704_200000139349 [1,1,0,0,0,0|2,0,0]=4 10835 B13R0.154 CC(=O)OCC(O)COCCCCN 34a_100000750430_200000139349 [1,1,0,0,0,0|2,0,0]=4 10836 B13R0.154 CC(=O)OCC(O)CSCCCCF 62a_100000729493_200000139349 [1,1,0,0,0,0|2,0,0]=4 10837 B13R0.154 CC(=O)OCC(O)CSCCCCF 62a_200000139349_100000729493 [1,1,0,0,0,0|2,0,0]=4 10838 B13R0.154 CC(=O)OCC(O)CSCCCCO 62a_100000210776_200000139349 [1,1,0,0,0,0|2,0,0]=4 10839 B13R0.154 CC(=O)OCC(O)CSCCCCO 62a_200000139349_100000210776 [1,1,0,0,0,0|2,0,0]=4 10840 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [1,1,0,0,0,0|1,0,1]=4 10841 B13R0.154 CCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210614 [1,1,0,0,0,0|1,0,1]=4 10842 B13R0.154 CCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210614 [1,1,0,0,0,0|0,0,1]=3 10843 B13R0.154 CCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210614 [1,1,0,0,0,0|0,1,1]=4 10844 B13R0.154 CCCCCCCC(=O)NCC(=O)C 1458a_100000691742_200000210301 [1,1,0,0,0,0|1,0,1]=4 10845 B13R0.154 CCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100000691742_200025704644 [1,1,0,0,0,0|1,0,1]=4 10846 B13R0.154 CCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100009852258 [1,1,0,0,0,0|1,0,1]=4 10847 B13R0.154 CCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011218727 [1,1,0,0,0,0|2,0,0]=4 10848 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [1,1,0,0,0,0|2,0,0]=4 10849 B13R0.154 CCCCCCCC(C)OCC(=O)C 34a_100000211253_200011218727 [1,1,0,0,0,0|1,0,0]=3 10850 B13R0.154 CCCCCCCC(C)OCC(=O)N 34a_200011215852_100000187820 [1,1,0,0,0,0|2,0,0]=4 10851 B13R0.154 CCCCCCCC(C)OCC(=O)N 7a_200011215852_100000187820 [1,1,0,0,0,0|2,0,0]=4 10852 B13R0.154 CCCCCCCC(C)OCC(=O)[O-] 34a_200011215852_100020667443 [1,1,0,0,0,0|2,0,0]=4 10853 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_100000747473_200011218727 [1,1,0,0,0,0|2,0,0]=4 10854 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_200011218727_100000747473 [1,1,0,0,0,0|2,0,0]=4 10855 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218727 [1,1,0,0,0,0|2,0,0]=4 10856 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_200011218727_100020667443 [1,1,0,0,0,0|2,0,0]=4 10857 B13R0.154 CCCCCCCN(C)CCC(=O)C 269982a_100000228206_100000053229 [1,1,0,0,0,0|1,0,0]=3 10858 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000228206_100000744528 [1,1,0,0,0,0|2,0,0]=4 10859 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210681 [1,1,0,0,0,0|2,0,0]=4 10860 B13R0.154 CCCCCCCN(C)CCC(=O)N 269982a_100000228206_100000744528 [1,1,0,0,0,0|2,0,0]=4 10861 B13R0.154 CCCCCCCN(C)COC(=O)C 269982a_100000228206_100000076356 [1,1,0,0,0,0|1,0,0]=3 10862 B13R0.154 CCCCCCNC(=O)COC(=O)C 1626a_100000210581_100000183556 [1,1,0,0,0,0|1,0,1]=4 10863 B13R0.154 CCCCCCNC(=O)COC(=O)C 240690a_100000210581_100000183556 [1,1,0,0,0,0|1,0,1]=4 10864 B13R0.154 CCCCCCNC(=O)COC(=O)C 527a_100000210581_100000183556 [1,1,0,0,0,0|1,0,1]=4 10865 B13R0.154 CCCCCCNC(C)COC(=O)C 270004a_100000210581_100000000629 [1,1,0,0,0,0|1,0,0]=3 10866 B13R0.154 CCCCCNCC(C)CSC(=O)C 2230a_100000209983_200000116872 [1,1,0,0,0,0|1,1,0]=4 10867 B13R0.154 CCCCCOCC(=O)COC(=O)C 34a_100000210253_100000036994 [1,1,0,0,0,0|1,0,1]=4 10868 B13R0.154 CCCCCOCC(C)CSC(=O)C 34a_100000210253_200000116872 [1,1,0,0,0,0|1,1,0]=4 10869 B13R0.154 CCCCCOCC(C)CSC(=O)C 7a_100000210253_200000116872 [1,1,0,0,0,0|1,1,0]=4 10870 B13R0.154 CCCCCOCC(O)COC(=O)C 34a_100000210253_200000139349 [1,1,0,0,0,0|1,0,0]=3 10871 B13R0.154 CCCCCOCC(O)COC(=O)C 7a_100000210253_200000139349 [1,1,0,0,0,0|1,0,0]=3 10872 B13R0.154 CCCCCSCC(=O)COC(=O)C 62a_100000036994_100000210326 [1,1,0,0,0,0|1,0,1]=4 10873 B13R0.154 CCCCCSCC(=O)COC(=O)C 62a_100000210326_100000036994 [1,1,0,0,0,0|1,0,1]=4 10874 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_100000210326_200000116872 [1,1,0,0,0,0|1,1,0]=4 10875 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210326 [1,1,0,0,0,0|1,1,0]=4 10876 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_100000210326_200000139349 [1,1,0,0,0,0|1,0,0]=3 10877 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_200000139349_100000210326 [1,1,0,0,0,0|1,0,0]=3 10878 B13R0.154 CCCCOCCC(=O)COC(=O)C 1458a_100000183556_100000743108 [1,1,0,0,0,0|1,0,1]=4 10879 B13R0.154 CCCOCCNC(C)COC(=O)C 270004a_100161115042_100000000629 [1,1,0,0,0,0|2,0,0]=4 10880 B13R0.154 CCCSCCNC(C)COC(=O)C 270004a_100020603323_100000000629 [1,1,0,0,0,0|2,0,0]=4 10881 B13R0.154 CCOCCCNC(C)COC(=O)C 270004a_100000210961_100000000629 [1,1,0,0,0,0|2,0,0]=4 10882 B13R0.154 CCOCCNCC(O)COC(=O)C 34a_102516460346_200000139349 [1,1,0,0,0,0|2,0,0]=4 10883 B13R0.154 CCOCCOCC(O)COC(=O)C 34a_100000210136_200000139349 [1,1,0,0,0,0|2,0,0]=4 10884 B13R0.154 CCOCCOCC(O)COC(=O)C 7a_100000210136_200000139349 [1,1,0,0,0,0|2,0,0]=4 10885 B13R0.154 CCOCCSCC(O)COC(=O)C 62a_100000210147_200000139349 [1,1,0,0,0,0|2,0,0]=4 10886 B13R0.154 CCOCCSCC(O)COC(=O)C 62a_200000139349_100011215890 [1,1,0,0,0,0|2,0,0]=4 10887 B13R0.154 CCSCCOCC(O)COC(=O)C 34a_100000212035_200000139349 [1,1,0,0,0,0|2,0,0]=4 10888 B13R0.154 CCSCCOCC(O)COC(=O)C 7a_100000212035_200000139349 [1,1,0,0,0,0|2,0,0]=4 10889 B13R0.154 CCSCCSCC(O)COC(=O)C 62a_100000757381_200000139349 [1,1,0,0,0,0|2,0,0]=4 10890 B13R0.154 CCSCCSCC(O)COC(=O)C 62a_200000139349_100000757381 [1,1,0,0,0,0|2,0,0]=4 10891 B13R0.154 CNCCCOCC(O)COC(=O)C 34a_100000213112_200000139349 [1,1,0,0,0,0|2,0,0]=4 10892 B13R0.154 COCCCNCC(O)COC(=O)C 34a_100150723488_200000139349 [1,1,0,0,0,0|2,0,0]=4 10893 B13R0.154 COCCCOCC(O)COC(=O)C 34a_100000740835_200000139349 [1,1,0,0,0,0|2,0,0]=4 10894 B13R0.154 COCCCSCC(O)COC(=O)C 62a_100000709357_200000139349 [1,1,0,0,0,0|2,0,0]=4 10895 B13R0.154 COCCCSCC(O)COC(=O)C 62a_200000139349_100000709357 [1,1,0,0,0,0|2,0,0]=4 10896 B13R0.154 CSCCCOCC(O)COC(=O)C 34a_100000690336_200000139349 [1,1,0,0,0,0|2,0,0]=4 10897 B13R0.154 CSCCCOCC(O)COC(=O)C 7a_100000690336_200000139349 [1,1,0,0,0,0|2,0,0]=4 10898 B13R0.179 C=C(C)CCNCCCCCC(C)C 2230a_100011290863_100000730704 [1,1,0,0,0,0|2,0,0]=4 10899 B13R0.179 C=C(C)CCNCCCCCC(C)C 34a_100011290863_100000730704 [1,1,0,0,0,0|2,0,0]=4 10900 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100000764851_100000210682 [1,1,0,0,0,0|2,0,0]=4 10901 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100011995859_100000730704 [1,1,0,0,0,0|2,0,0]=4 10902 B13R0.179 C=C(C)CCOCCCCCC(C)C 7a_100011995859_100000730704 [1,1,0,0,0,0|2,0,0]=4 10903 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000073216_100000730704 [1,1,0,0,0,0|1,0,1]=4 10904 B13R0.179 C=C(C)CCOCCCCOC(=O)C 34a_100000764851_100000033659 [1,1,0,0,0,0|1,0,1]=4 10905 B13R0.179 C=C(C)CCOCCCCOC(=O)C 7a_100000073216_100000730704 [1,1,0,0,0,0|1,0,1]=4 10906 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000210682_100000730704 [1,1,0,0,0,0|2,0,0]=4 10907 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000730704_100000210682 [1,1,0,0,0,0|2,0,0]=4 10908 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000033659_100000730704 [1,1,0,0,0,0|1,0,1]=4 10909 B13R0.179 C=C(C)CCSCCCCOC(=O)C 62a_100000730704_100000033659 [1,1,0,0,0,0|1,0,1]=4 10910 B13R0.179 C=C(C)CNCCCCCCC(C)C 2230a_100000211014_100000748629 [1,1,0,0,0,0|2,0,0]=4 10911 B13R0.179 C=C(C)CNCCCCCCC(C)C 34a_100000211014_100000748629 [1,1,0,0,0,0|2,0,0]=4 10912 B13R0.179 C=C(C)COCCCCCOC(=O)C 34a_100000210245_100000033007 [1,1,0,0,0,0|1,0,1]=4 10913 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000033007_100000211660 [1,1,0,0,0,0|1,0,1]=4 10914 B13R0.179 C=C(C)CSCCCCCOC(=O)C 62a_100000748629_100000033007 [1,1,0,0,0,0|1,0,1]=4 10915 B13R0.179 CC(=O)CCCCNCCCC(C)C 34a_200000737386_100009817362 [1,1,0,0,0,0|1,0,0]=3 10916 B13R0.179 CC(=O)CCCCNCCOC(C)C 34a_100000701111_100009817362 [1,1,0,0,0,0|2,0,0]=4 10917 B13R0.179 CC(=O)CCCCNCCSC(C)C 34a_100000731138_100009817362 [1,1,0,0,0,0|2,0,0]=4 10918 B13R0.179 CC(=O)CCCCOCCCC(=O)C 34a_100000759063_100009817362 [1,1,0,0,0,0|1,0,1]=4 10919 B13R0.179 CC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000735457 [1,1,0,0,0,0|1,0,1]=4 10920 B13R0.179 CC(=O)CCCCOCCCC(C)C 34a_100000210774_100009817362 [1,1,0,0,0,0|1,0,0]=3 10921 B13R0.179 CC(=O)CCCCOCCCC(C)C 7a_100000210774_100000735457 [1,1,0,0,0,0|1,0,0]=3 10922 B13R0.179 CC(=O)CCCCOCCNC(C)C 34a_100000224655_100009817362 [1,1,0,0,0,0|2,0,0]=4 10923 B13R0.179 CC(=O)CCCCOCCOC(C)C 34a_100000211219_100009817362 [1,1,0,0,0,0|2,0,0]=4 10924 B13R0.179 CC(=O)CCCCOCCOC(C)C 7a_100000211219_100000735457 [1,1,0,0,0,0|2,0,0]=4 10925 B13R0.179 CC(=O)CCCCOCCSC(C)C 34a_200011212901_100009817362 [1,1,0,0,0,0|2,0,0]=4 10926 B13R0.179 CC(=O)CCCCOCCSC(C)C 7a_200011212901_100000735457 [1,1,0,0,0,0|2,0,0]=4 10927 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100000735457_100011215641 [1,1,0,0,0,0|1,0,1]=4 10928 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000735457 [1,1,0,0,0,0|1,0,1]=4 10929 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100000735457_100011214892 [1,1,0,0,0,0|1,0,0]=3 10930 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100011214892_100000735457 [1,1,0,0,0,0|1,0,0]=3 10931 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [1,1,0,0,0,0|1,0,0]=3 10932 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [1,1,0,0,0,0|1,0,0]=3 10933 B13R0.179 CC(=O)CCCCSCCCN(C)C 62a_100000735457_100000757444 [1,1,0,0,0,0|2,0,0]=4 10934 B13R0.179 CC(=O)CCCCSCCOC(=O)C 62a_100000735457_100009814007 [1,1,0,0,0,0|1,0,1]=4 10935 B13R0.179 CC(=O)CCCCSCCOC(=O)C 62a_100009814007_100000735457 [1,1,0,0,0,0|1,0,1]=4 10936 B13R0.179 CC(=O)CCCCSCCOC(C)C 62a_100000211751_100000735457 [1,1,0,0,0,0|2,0,0]=4 10937 B13R0.179 CC(=O)CCCCSCCOC(C)C 62a_100000735457_100000211751 [1,1,0,0,0,0|2,0,0]=4 10938 B13R0.179 CC(=O)CCCCSCCSC(C)C 62a_100000730970_100000735457 [1,1,0,0,0,0|2,0,0]=4 10939 B13R0.179 CC(=O)CCCCSCCSC(C)C 62a_100000735457_100000730970 [1,1,0,0,0,0|2,0,0]=4 10940 B13R0.179 CC(=O)CCCNCCCOC(C)C 34a_100000737246_100000685027 [1,1,0,0,0,0|2,0,0]=4 10941 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100000759063_100011216152 [1,1,0,0,0,0|1,0,0]=3 10942 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100011214890_100000685027 [1,1,0,0,0,0|1,0,0]=3 10943 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100000759063_100011216152 [1,1,0,0,0,0|1,0,0]=3 10944 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215641 [1,1,0,0,0,0|1,0,0]=3 10945 B13R0.179 CC(=O)CCCOCCCNC(C)C 34a_100000182298_100000685027 [1,1,0,0,0,0|2,0,0]=4 10946 B13R0.179 CC(=O)CCCOCCCOC(=O)C 34a_100000759063_100000042594 [1,1,0,0,0,0|1,0,1]=4 10947 B13R0.179 CC(=O)CCCOCCCOC(=O)C 7a_100000759063_100000042594 [1,1,0,0,0,0|1,0,1]=4 10948 B13R0.179 CC(=O)CCCOCCNCC(C)C 34a_100015185251_100000685027 [1,1,0,0,0,0|2,0,0]=4 10949 B13R0.179 CC(=O)CCCOCCOCC(C)C 34a_100000703358_100000685027 [1,1,0,0,0,0|2,0,0]=4 10950 B13R0.179 CC(=O)CCCOCCOCC(C)C 7a_100000703358_100011215641 [1,1,0,0,0,0|2,0,0]=4 10951 B13R0.179 CC(=O)CCCOCCSCC(C)C 34a_200000230437_100000685027 [1,1,0,0,0,0|2,0,0]=4 10952 B13R0.179 CC(=O)CCCOCCSCC(C)C 7a_200000230437_100011215641 [1,1,0,0,0,0|2,0,0]=4 10953 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011215641_100011216152 [1,1,0,0,0,0|1,0,0]=3 10954 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011216152_100011215641 [1,1,0,0,0,0|1,0,0]=3 10955 B13R0.179 CC(=O)CCCSCCCCN(C)C 62a_100011215641_100000690147 [1,1,0,0,0,0|2,0,0]=4 10956 B13R0.179 CC(=O)CCCSCCCOC(=O)C 62a_100000042594_100011215641 [1,1,0,0,0,0|1,0,1]=4 10957 B13R0.179 CC(=O)CCCSCCCOC(=O)C 62a_100011215641_100000042594 [1,1,0,0,0,0|1,0,1]=4 10958 B13R0.179 CC(=O)CCOCCCCCC(C)C 34a_100000759926_100000210682 [1,1,0,0,0,0|1,0,0]=3 10959 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100000759926_100000210682 [1,1,0,0,0,0|1,0,0]=3 10960 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100011995859_100000053229 [1,1,0,0,0,0|1,0,0]=3 10961 B13R0.179 CC(=O)CCOCCCCOC(=O)C 34a_100000759926_100000033659 [1,1,0,0,0,0|1,0,1]=4 10962 B13R0.179 CC(=O)CCOCCCCOC(=O)C 7a_100000073216_100000053229 [1,1,0,0,0,0|1,0,1]=4 10963 B13R0.179 CC(=O)CCOCCCCOC(=O)C 7a_100000759926_100000033659 [1,1,0,0,0,0|1,0,1]=4 10964 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000053229_100000210682 [1,1,0,0,0,0|1,0,0]=3 10965 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000210682_100000053229 [1,1,0,0,0,0|1,0,0]=3 10966 B13R0.179 CC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000053229 [1,1,0,0,0,0|1,0,1]=4 10967 B13R0.179 CC(=O)CCSCCCCOC(=O)C 62a_100000053229_100000033659 [1,1,0,0,0,0|1,0,1]=4 10968 B13R0.179 CC(=O)COCCCCCOC(=O)C 34a_100000211253_100000033007 [1,1,0,0,0,0|1,0,1]=4 10969 B13R0.179 CC(=O)NCCCCCCNC(C)C 2230a_200011996284_100000210206 [1,1,0,0,0,0|2,0,0]=4 10970 B13R0.179 CC(=O)NCCCCCCNC(C)C 34a_200011996284_100000210206 [1,1,0,0,0,0|2,0,0]=4 10971 B13R0.179 CC(=O)NCCCCCNCC(C)C 2230a_200012022750_100000210760 [1,1,0,0,0,0|2,0,0]=4 10972 B13R0.179 CC(=O)NCCCCCNCC(C)C 270004a_200012022750_100000210432 [1,1,0,0,0,0|2,0,0]=4 10973 B13R0.179 CC(=O)NCCCCCNCC(C)C 34a_200012022750_100000210624 [1,1,0,0,0,0|2,0,0]=4 10974 B13R0.179 CC(=O)NCCCCCNCC(C)O 2230a_200012022750_100011218427 [1,1,0,0,0,0|2,0,0]=4 10975 B13R0.179 CC(=O)NCCCCCNCC(C)O 34a_200012022750_100011218427 [1,1,0,0,0,0|2,0,0]=4 10976 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 2230a_200012022750_100009817552 [1,1,0,0,0,0|2,0,0]=4 10977 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 34a_200012022750_100009817552 [1,1,0,0,0,0|2,0,0]=4 10978 B13R0.179 CC(=O)NCCCCNCCC(C)C 2230a_200011368371_100000210312 [1,1,0,0,0,0|2,0,0]=4 10979 B13R0.179 CC(=O)NCCCCNCCC(C)C 269862a_200011368371_100000185833 [1,1,0,0,0,0|2,0,0]=4 10980 B13R0.179 CC(=O)NCCCCNCCC(C)C 34a_200011368371_100000210312 [1,1,0,0,0,0|2,0,0]=4 10981 B13R0.179 CC(=O)NCCCCNCCC(C)O 2230a_200011368371_100012276601 [1,1,0,0,0,0|2,0,0]=4 10982 B13R0.179 CC(=O)NCCCCNCCC(C)O 34a_200011368371_100012276601 [1,1,0,0,0,0|2,0,0]=4 10983 B13R0.179 CC(=O)NCCCNCCCC(C)C 34a_100000736810_100011214892 [1,1,0,0,0,0|2,0,0]=4 10984 B13R0.179 CC(=O)NCCCNCCCC(C)O 34a_100000736810_200000718107 [1,1,0,0,0,0|2,0,0]=4 10985 B13R0.179 CC(=O)NCCCOCCCC(C)C 34a_100000752032_100011214892 [1,1,0,0,0,0|2,0,0]=4 10986 B13R0.179 CC(=O)NCCCOCCCC(C)O 34a_100000752032_200000718107 [1,1,0,0,0,0|2,0,0]=4 10987 B13R0.179 CC(=O)NCCNCCCCC(C)C 2230a_100000209853_100011216152 [1,1,0,0,0,0|2,0,0]=4 10988 B13R0.179 CC(=O)NCCOCCCCC(C)C 34a_100000158858_100011216152 [1,1,0,0,0,0|2,0,0]=4 10989 B13R0.179 CC(=O)NCCOCCCCC(C)C 7a_100011214890_100000189650 [1,1,0,0,0,0|2,0,0]=4 10990 B13R0.179 CC(=O)NCCSCCCCC(C)C 62a_100000189650_100011216152 [1,1,0,0,0,0|2,0,0]=4 10991 B13R0.179 CC(=O)NCCSCCCCC(C)C 62a_100011216152_100000189650 [1,1,0,0,0,0|2,0,0]=4 10992 B13R0.179 CC(=O)OCCCCCNCC(C)C 2230a_100000210953_100009813381 [1,1,0,0,0,0|1,0,0]=3 10993 B13R0.179 CC(=O)OCCCCCNCC(C)C 34a_100000210953_100000033007 [1,1,0,0,0,0|1,0,0]=3 10994 B13R0.179 CC(=O)OCCCCCNCC(C)O 2230a_100000210904_100009813381 [1,1,0,0,0,0|1,0,0]=3 10995 B13R0.179 CC(=O)OCCCCCNCC(C)O 34a_100000210904_100000033007 [1,1,0,0,0,0|1,0,0]=3 10996 B13R0.179 CC(=O)OCCCCCNCC(F)F 34a_100000765723_100000033007 [1,1,0,0,0,0|2,0,0]=4 10997 B13R0.179 CC(=O)OCCCCCOCC(C)Br 34a_100012180447_100000033007 [1,1,0,0,0,0|1,0,0]=3 10998 B13R0.179 CC(=O)OCCCCCOCC(C)C 34a_100000210257_100000033007 [1,1,0,0,0,0|1,0,0]=3 10999 B13R0.179 CC(=O)OCCCCCOCC(C)F 34a_100015925927_100000033007 [1,1,0,0,0,0|1,0,0]=3 11000 B13R0.179 CC(=O)OCCCCCOCC(F)F 34a_100000743014_100000033007 [1,1,0,0,0,0|2,0,0]=4 11001 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)Cl 34a_100016084084_100000033007 [1,1,0,0,0,0|1,0,0]=3 11002 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)N 34a_100000737577_100000033007 [1,1,0,0,0,0|1,0,0]=3 11003 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000033007_100000210760 [1,1,0,0,0,0|1,0,0]=3 11004 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000210624_100000033007 [1,1,0,0,0,0|1,0,0]=3 11005 B13R0.179 CC(=O)OCCCCCSCC(C)O 62a_100000033007_100011218427 [1,1,0,0,0,0|1,0,0]=3 11006 B13R0.179 CC(=O)OCCCCCSCC(C)O 62a_100011218427_100000033007 [1,1,0,0,0,0|1,0,0]=3 11007 B13R0.179 CC(=O)OCCCCCSCC(F)F 62a_100000033007_100011934356 [1,1,0,0,0,0|2,0,0]=4 11008 B13R0.179 CC(=O)OCCCCCSCC(F)F 62a_100011934356_100000033007 [1,1,0,0,0,0|2,0,0]=4 11009 B13R0.179 CC(=O)OCCCCCSC[C@@H](C)O 62a_100000033007_100009817552 [1,1,0,0,0,0|1,0,0]=3 11010 B13R0.179 CC(=O)OCCCCCSC[C@@H](C)O 62a_100009817552_100000033007 [1,1,0,0,0,0|1,0,0]=3 11011 B13R0.179 CC(=O)OCCCCOCCC(C)Br 34a_100009893172_100000033659 [1,1,0,0,0,0|1,0,0]=3 11012 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000073216_100000210312 [1,1,0,0,0,0|1,0,0]=3 11013 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000210254_100000033659 [1,1,0,0,0,0|1,0,0]=3 11014 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000073216_100000210626 [1,1,0,0,0,0|1,0,0]=3 11015 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000210254_100000033659 [1,1,0,0,0,0|1,0,0]=3 11016 B13R0.179 CC(=O)OCCCCOCCC(C)O 34a_100000073216_100012276601 [1,1,0,0,0,0|1,0,0]=3 11017 B13R0.179 CC(=O)OCCCCOCCC(C)O 7a_100000073216_100012276601 [1,1,0,0,0,0|1,0,0]=3 11018 B13R0.179 CC(=O)OCCCCOCCC(F)F 34a_100103093639_100000033659 [1,1,0,0,0,0|2,0,0]=4 11019 B13R0.179 CC(=O)OCCCCOCCN(C)C 7a_100000073216_100000755713 [1,1,0,0,0,0|2,0,0]=4 11020 B13R0.179 CC(=O)OCCCCOCC[C@@H](C)N 34a_100000706166_100000033659 [1,1,0,0,0,0|1,0,0]=3 11021 B13R0.179 CC(=O)OCCCCOCOC(C)C 34a_100000073216_100000709892 [1,1,0,0,0,0|2,0,0]=4 11022 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000033659_100000210312 [1,1,0,0,0,0|1,0,0]=3 11023 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000210312_100000033659 [1,1,0,0,0,0|1,0,0]=3 11024 B13R0.179 CC(=O)OCCCCSCCC(C)O 62a_100000033659_100012276601 [1,1,0,0,0,0|1,0,0]=3 11025 B13R0.179 CC(=O)OCCCCSCCC(C)O 62a_100012276601_100000033659 [1,1,0,0,0,0|1,0,0]=3 11026 B13R0.179 CC(=O)OCCCCSCCN(C)C 62a_100000033659_100000755713 [1,1,0,0,0,0|2,0,0]=4 11027 B13R0.179 CC(=O)OCCCCSCOC(C)C 62a_100000033659_100000709892 [1,1,0,0,0,0|2,0,0]=4 11028 B13R0.179 CC(=O)OCCCCSCOC(C)C 62a_100000709892_100000033659 [1,1,0,0,0,0|2,0,0]=4 11029 B13R0.179 CC(=O)OCCCNCCCC(C)C 34a_200000737386_100000042594 [1,1,0,0,0,0|1,0,0]=3 11030 B13R0.179 CC(=O)OCCCNCCOC(C)C 34a_100000701111_100000042594 [1,1,0,0,0,0|2,0,0]=4 11031 B13R0.179 CC(=O)OCCCNCCSC(C)C 34a_100000731138_100000042594 [1,1,0,0,0,0|2,0,0]=4 11032 B13R0.179 CC(=O)OCCCOCCCC(C)C 34a_100000210774_100000042594 [1,1,0,0,0,0|1,0,0]=3 11033 B13R0.179 CC(=O)OCCCOCCCC(C)C 7a_100000210774_100000042594 [1,1,0,0,0,0|1,0,0]=3 11034 B13R0.179 CC(=O)OCCCOCCNC(C)C 34a_100000224655_100000042594 [1,1,0,0,0,0|2,0,0]=4 11035 B13R0.179 CC(=O)OCCCOCCOC(C)C 34a_100000211219_100000042594 [1,1,0,0,0,0|2,0,0]=4 11036 B13R0.179 CC(=O)OCCCOCCOC(C)C 7a_100000211219_100000042594 [1,1,0,0,0,0|2,0,0]=4 11037 B13R0.179 CC(=O)OCCCOCCSC(C)C 34a_200011212901_100000042594 [1,1,0,0,0,0|2,0,0]=4 11038 B13R0.179 CC(=O)OCCCOCCSC(C)C 7a_200011212901_100000042594 [1,1,0,0,0,0|2,0,0]=4 11039 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100000042594_100011214892 [1,1,0,0,0,0|1,0,0]=3 11040 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100011214892_100000042594 [1,1,0,0,0,0|1,0,0]=3 11041 B13R0.179 CC(=O)OCCCSCCCC(C)O 62a_100000042594_200000718107 [1,1,0,0,0,0|1,0,0]=3 11042 B13R0.179 CC(=O)OCCCSCCCC(C)O 62a_200000718107_100000042594 [1,1,0,0,0,0|1,0,0]=3 11043 B13R0.179 CC(=O)OCCCSCCCN(C)C 62a_100000042594_100000757444 [1,1,0,0,0,0|2,0,0]=4 11044 B13R0.179 CC(=O)OCCCSCCOC(C)C 62a_100000042594_100000211751 [1,1,0,0,0,0|2,0,0]=4 11045 B13R0.179 CC(=O)OCCCSCCOC(C)C 62a_100000211751_100000042594 [1,1,0,0,0,0|2,0,0]=4 11046 B13R0.179 CC(=O)OCCCSCCSC(C)C 62a_100000042594_100000730970 [1,1,0,0,0,0|2,0,0]=4 11047 B13R0.179 CC(=O)OCCCSCCSC(C)C 62a_100000730970_100000042594 [1,1,0,0,0,0|2,0,0]=4 11048 B13R0.179 CC(=O)OCCNCCCOC(C)C 34a_100000737246_100009814007 [1,1,0,0,0,0|2,0,0]=4 11049 B13R0.179 CC(=O)OCCOCCCCC(C)C 34a_100011214890_100009814007 [1,1,0,0,0,0|1,0,0]=3 11050 B13R0.179 CC(=O)OCCOCCCCC(C)C 7a_100011214890_100009814007 [1,1,0,0,0,0|1,0,0]=3 11051 B13R0.179 CC(=O)OCCOCCCNC(C)C 34a_100000182298_100009814007 [1,1,0,0,0,0|2,0,0]=4 11052 B13R0.179 CC(=O)OCCOCCNCC(C)C 2230a_100000210953_200000083610 [1,1,0,0,0,0|2,0,0]=4 11053 B13R0.179 CC(=O)OCCOCCNCC(C)C 34a_100000210953_200000083610 [1,1,0,0,0,0|2,0,0]=4 11054 B13R0.179 CC(=O)OCCOCCNCC(C)C 34a_100015185251_100009814007 [1,1,0,0,0,0|2,0,0]=4 11055 B13R0.179 CC(=O)OCCOCCNCC(C)O 2230a_100000210904_200000083610 [1,1,0,0,0,0|2,0,0]=4 11056 B13R0.179 CC(=O)OCCOCCNCC(C)O 34a_100000210904_200000083610 [1,1,0,0,0,0|2,0,0]=4 11057 B13R0.179 CC(=O)OCCOCCOCC(C)Br 34a_100012180447_200000083610 [1,1,0,0,0,0|2,0,0]=4 11058 B13R0.179 CC(=O)OCCOCCOCC(C)C 34a_100000210257_200000083610 [1,1,0,0,0,0|2,0,0]=4 11059 B13R0.179 CC(=O)OCCOCCOCC(C)C 34a_100000703358_100009814007 [1,1,0,0,0,0|2,0,0]=4 11060 B13R0.179 CC(=O)OCCOCCOCC(C)C 7a_100000703358_100009814007 [1,1,0,0,0,0|2,0,0]=4 11061 B13R0.179 CC(=O)OCCOCCOCC(C)F 34a_100015925927_200000083610 [1,1,0,0,0,0|2,0,0]=4 11062 B13R0.179 CC(=O)OCCOCCOC[C@@H](C)Cl 34a_100016084084_200000083610 [1,1,0,0,0,0|2,0,0]=4 11063 B13R0.179 CC(=O)OCCOCCOC[C@@H](C)N 34a_100000737577_200000083610 [1,1,0,0,0,0|2,0,0]=4 11064 B13R0.179 CC(=O)OCCOCCSCC(C)C 34a_200000230437_100009814007 [1,1,0,0,0,0|2,0,0]=4 11065 B13R0.179 CC(=O)OCCOCCSCC(C)C 62a_100000210624_200000083610 [1,1,0,0,0,0|2,0,0]=4 11066 B13R0.179 CC(=O)OCCOCCSCC(C)C 62a_200000083610_100000210760 [1,1,0,0,0,0|2,0,0]=4 11067 B13R0.179 CC(=O)OCCOCCSCC(C)C 7a_200000230437_100009814007 [1,1,0,0,0,0|2,0,0]=4 11068 B13R0.179 CC(=O)OCCOCCSCC(C)O 62a_100011218427_200000083610 [1,1,0,0,0,0|2,0,0]=4 11069 B13R0.179 CC(=O)OCCOCCSCC(C)O 62a_200000083610_100011218427 [1,1,0,0,0,0|2,0,0]=4 11070 B13R0.179 CC(=O)OCCOCCSC[C@@H](C)O 62a_100009817552_200000083610 [1,1,0,0,0,0|2,0,0]=4 11071 B13R0.179 CC(=O)OCCOCCSC[C@@H](C)O 62a_200000083610_100009817552 [1,1,0,0,0,0|2,0,0]=4 11072 B13R0.179 CC(=O)OCCOCOCCC(C)Br 34a_100009893172_100000076355 [1,1,0,0,0,0|2,0,0]=4 11073 B13R0.179 CC(=O)OCCOCOCCC(C)C 34a_100000210254_100000076355 [1,1,0,0,0,0|2,0,0]=4 11074 B13R0.179 CC(=O)OCCOCOCC[C@@H](C)N 34a_100000706166_100000076355 [1,1,0,0,0,0|2,0,0]=4 11075 B13R0.179 CC(=O)OCCOCSCCC(C)C 62a_100000076355_100000210312 [1,1,0,0,0,0|2,0,0]=4 11076 B13R0.179 CC(=O)OCCOCSCCC(C)C 62a_100000210312_100000076355 [1,1,0,0,0,0|2,0,0]=4 11077 B13R0.179 CC(=O)OCCOCSCCC(C)O 62a_100000076355_100012276601 [1,1,0,0,0,0|2,0,0]=4 11078 B13R0.179 CC(=O)OCCOCSCCC(C)O 62a_100012276601_100000076355 [1,1,0,0,0,0|2,0,0]=4 11079 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100009814007_100011216152 [1,1,0,0,0,0|1,0,0]=3 11080 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100011216152_100009814007 [1,1,0,0,0,0|1,0,0]=3 11081 B13R0.179 CC(=O)OCCSCCCCN(C)C 62a_100009814007_100000690147 [1,1,0,0,0,0|2,0,0]=4 11082 B13R0.179 CC(=O)OCNCCCCCC(C)C 34a_100011290863_100009813279 [1,1,0,0,0,0|1,0,0]=3 11083 B13R0.179 CC(=O)OCNCCCOCC(C)C 34a_100000205972_100009813279 [1,1,0,0,0,0|2,0,0]=4 11084 B13R0.179 CC(=O)OCOCCCCCC(C)C 34a_100011995859_100009813279 [1,1,0,0,0,0|1,0,0]=3 11085 B13R0.179 CC(=O)OCOCCCCNC(C)C 34a_100011521146_100009813279 [1,1,0,0,0,0|2,0,0]=4 11086 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000076356_100000210682 [1,1,0,0,0,0|1,0,0]=3 11087 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000210682_100000076356 [1,1,0,0,0,0|1,0,0]=3 11088 B13R0.179 CC(=O)SCCCCNCCC(C)O 2230a_200000755665_200010402107 [1,1,0,0,0,0|1,1,0]=4 11089 B13R0.179 CC(=O)SCCCCOCCC(C)Br 34a_100009893172_200010402107 [1,1,0,0,0,0|1,1,0]=4 11090 B13R0.179 CC(=O)SCCCCOCCC(C)C 34a_100000210254_200010402107 [1,1,0,0,0,0|1,1,0]=4 11091 B13R0.179 CC(=O)SCCCCOCCC(C)C 7a_100000210254_200010402107 [1,1,0,0,0,0|1,1,0]=4 11092 B13R0.179 CC(=O)SCCCCOCC[C@@H](C)N 34a_100000706166_200010402107 [1,1,0,0,0,0|1,1,0]=4 11093 B13R0.179 CC(=O)SCCCCSCCC(C)C 62a_100000210312_200010402107 [1,1,0,0,0,0|1,1,0]=4 11094 B13R0.179 CC(=O)SCCCCSCCC(C)C 62a_200010402107_100000210312 [1,1,0,0,0,0|1,1,0]=4 11095 B13R0.179 CC(=O)SCCCCSCCC(C)O 62a_100012276601_200010402107 [1,1,0,0,0,0|1,1,0]=4 11096 B13R0.179 CC(=O)SCCCCSCCC(C)O 62a_200010402107_100012276601 [1,1,0,0,0,0|1,1,0]=4 11097 B13R0.179 CC(=O)SCCCNCCCC(C)C 2230a_200000737386_100000038929 [1,1,0,0,0,0|1,1,0]=4 11098 B13R0.179 CC(=O)SCCCNCCCC(C)C 34a_200000737386_100000038929 [1,1,0,0,0,0|1,1,0]=4 11099 B13R0.179 CC(=O)SCCCOCCCC(C)C 34a_100000210774_100000038929 [1,1,0,0,0,0|1,1,0]=4 11100 B13R0.179 CC(=O)SCCCOCCCC(C)C 7a_100000210774_100000038929 [1,1,0,0,0,0|1,1,0]=4 11101 B13R0.179 CC(=O)SCCCSCCCC(C)C 62a_100000038929_100011214892 [1,1,0,0,0,0|1,1,0]=4 11102 B13R0.179 CC(=O)SCCCSCCCC(C)C 62a_100011214892_100000038929 [1,1,0,0,0,0|1,1,0]=4 11103 B13R0.179 CC(=O)SCCCSCCCC(C)O 62a_100000038929_200000718107 [1,1,0,0,0,0|1,1,0]=4 11104 B13R0.179 CC(=O)SCCCSCCCC(C)O 62a_200000718107_100000038929 [1,1,0,0,0,0|1,1,0]=4 11105 B13R0.179 CC(=S)OCCCNCCCC(C)C 2230a_200000737386_200135323944 [1,1,0,0,0,0|1,1,0]=4 11106 B13R0.179 CC(=S)OCCCNCCCC(C)C 34a_200000737386_200135323944 [1,1,0,0,0,0|1,1,0]=4 11107 B13R0.179 CC(=S)OCCCOCCCC(C)C 34a_100000210774_200135323944 [1,1,0,0,0,0|1,1,0]=4 11108 B13R0.179 CC(=S)OCCCOCCCC(C)C 7a_100000210774_200135323944 [1,1,0,0,0,0|1,1,0]=4 11109 B13R0.179 CC(=S)OCCCSCCCC(C)C 62a_100011214892_200135323944 [1,1,0,0,0,0|1,1,0]=4 11110 B13R0.179 CC(=S)OCCCSCCCC(C)C 62a_200135323944_100011214892 [1,1,0,0,0,0|1,1,0]=4 11111 B13R0.179 CC(=S)OCCCSCCCC(C)O 62a_200000718107_200135323944 [1,1,0,0,0,0|1,1,0]=4 11112 B13R0.179 CC(=S)OCCCSCCCC(C)O 62a_200135323944_200000718107 [1,1,0,0,0,0|1,1,0]=4 11113 B13R0.179 CC(Br)CCOCCCCCC(=O)N 34a_100009893172_100009817443 [1,1,0,0,0,0|2,0,0]=4 11114 B13R0.179 CC(C)CCCCCCCOC(C)C 34a_200000210741_100000210206 [1,1,0,0,0,0|1,0,1]=4 11115 B13R0.179 CC(C)CCCCCCCOC(C)C 7a_200000210741_100000210206 [1,1,0,0,0,0|1,0,1]=4 11116 B13R0.179 CC(C)CCCCCCNCC(=O)N 2230a_100000211014_100000747473 [1,1,0,0,0,0|2,0,0]=4 11117 B13R0.179 CC(C)CCCCCCNCC(=O)N 34a_100000211014_100000187820 [1,1,0,0,0,0|2,0,0]=4 11118 B13R0.179 CC(C)CCCCCCNCC(=O)[O-] 34a_100000211014_100020667443 [1,1,0,0,0,0|2,0,0]=4 11119 B13R0.179 CC(C)CCCCCNCCC(=O)N 2230a_100011290863_100000744528 [1,1,0,0,0,0|2,0,0]=4 11120 B13R0.179 CC(C)CCCCCNCCC(=O)N 34a_100011290863_100000731001 [1,1,0,0,0,0|2,0,0]=4 11121 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100000757172_100000210682 [1,1,0,0,0,0|2,0,0]=4 11122 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100011995859_100000731001 [1,1,0,0,0,0|2,0,0]=4 11123 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100000757172_100000210682 [1,1,0,0,0,0|2,0,0]=4 11124 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100011995859_100000744528 [1,1,0,0,0,0|2,0,0]=4 11125 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000210682_100000744528 [1,1,0,0,0,0|2,0,0]=4 11126 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000744528_100000210682 [1,1,0,0,0,0|2,0,0]=4 11127 B13R0.179 CC(C)CCCCNCCCC(=O)N 34a_100000739312_100011216152 [1,1,0,0,0,0|2,0,0]=4 11128 B13R0.179 CC(C)CCCCNCCCS(=O)C 2230a_200000753449_100011216152 [1,1,0,0,0,0|2,0,0]=4 11129 B13R0.179 CC(C)CCCCOCCCC(=O)N 34a_100011214890_100102525003 [1,1,0,0,0,0|2,0,0]=4 11130 B13R0.179 CC(C)CCCCOCCCC(=O)N 7a_100011214890_100102525003 [1,1,0,0,0,0|2,0,0]=4 11131 B13R0.179 CC(C)CCCCOCCOC(=O)N 34a_100011214890_200011214921 [1,1,0,0,0,0|2,0,0]=4 11132 B13R0.179 CC(C)CCCCOCCOC(=O)N 7a_100000766696_100011216152 [1,1,0,0,0,0|2,0,0]=4 11133 B13R0.179 CC(C)CCCCOCCOC(=O)N 7a_100011214890_200011214921 [1,1,0,0,0,0|2,0,0]=4 11134 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100011216152_100102525003 [1,1,0,0,0,0|2,0,0]=4 11135 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100102525003_100011216152 [1,1,0,0,0,0|2,0,0]=4 11136 B13R0.179 CC(C)CCCCSCCOC(=O)N 62a_100011216152_200011214921 [1,1,0,0,0,0|2,0,0]=4 11137 B13R0.179 CC(C)CCCCSCCOC(=O)N 62a_200011214921_100011216152 [1,1,0,0,0,0|2,0,0]=4 11138 B13R0.179 CC(C)CCCNCCCCC(=O)N 34a_100000696515_100011214892 [1,1,0,0,0,0|2,0,0]=4 11139 B13R0.179 CC(C)CCCOCCCCC(=O)N 34a_100012022536_100011214892 [1,1,0,0,0,0|2,0,0]=4 11140 B13R0.179 CC(C)CCCOCCCCC(=O)N 7a_100012022536_100011214892 [1,1,0,0,0,0|2,0,0]=4 11141 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000123541_100000210312 [1,1,0,0,0,0|2,0,0]=4 11142 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000210254_100009817443 [1,1,0,0,0,0|2,0,0]=4 11143 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000123541_100000210626 [1,1,0,0,0,0|2,0,0]=4 11144 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000210254_100009817443 [1,1,0,0,0,0|2,0,0]=4 11145 B13R0.179 CC(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000210626 [1,1,0,0,0,0|2,0,0]=4 11146 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100000210312_100009817443 [1,1,0,0,0,0|2,0,0]=4 11147 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100009817443_100000210312 [1,1,0,0,0,0|2,0,0]=4 11148 B13R0.179 CC(O)CCCNCCCCC(=O)N 34a_100000696515_200000718107 [1,1,0,0,0,0|2,0,0]=4 11149 B13R0.179 CC(O)CCCOCCCCC(=O)N 34a_100012022536_200000718107 [1,1,0,0,0,0|2,0,0]=4 11150 B13R0.179 CC(O)CCCOCCCCC(=O)N 7a_100012022536_200000718107 [1,1,0,0,0,0|2,0,0]=4 11151 B13R0.179 CC(O)CCNCCCCCC(=O)N 2230a_200000755665_100009817443 [1,1,0,0,0,0|2,0,0]=4 11152 B13R0.179 CC(O)CCOCCCCCC(=O)N 34a_100000123541_100012276601 [1,1,0,0,0,0|2,0,0]=4 11153 B13R0.179 CC(O)CCOCCCCCC(=O)N 7a_100000123541_100012276601 [1,1,0,0,0,0|2,0,0]=4 11154 B13R0.179 CC(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100012276601 [1,1,0,0,0,0|2,0,0]=4 11155 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100009817443_100012276601 [1,1,0,0,0,0|2,0,0]=4 11156 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100012276601_100009817443 [1,1,0,0,0,0|2,0,0]=4 11157 B13R0.179 C[C@@H](N)CCOCCCCCC(=O)N 34a_100000706166_100009817443 [1,1,0,0,0,0|2,0,0]=4 11158 B13R0.188 CC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000735457 [1,1,0,0,0,0|1,0,1]=4 11159 B13R0.188 CC(=O)CCCCN(C)CCCCO 269982a_100000717598_100000735457 [1,1,0,0,0,0|2,0,0]=4 11160 B13R0.188 CC(=O)OCCCC(=O)CCCCO 1458a_100000695505_100000042594 [1,1,0,0,0,0|1,0,1]=4 11161 B13R0.188 CC(=O)OCCCN(C)CCCCO 269982a_100000717598_100000042594 [1,1,0,0,0,0|2,0,0]=4 11162 B13R0.188 CC(=O)OCOC[C@@H](N)CCCCN 34a_100016993712_100009813279 [1,1,0,0,0,0|2,0,0]=4 11163 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [1,1,0,0,0,0|0,0,1]=3 11164 B13R0.188 CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210326 [1,1,0,0,0,0|1,0,1]=4 11165 B13R0.188 CCCCCC(=O)CCCOC(=O)C 1458a_100000212188_100000042594 [1,1,0,0,0,0|0,0,1]=3 11166 B13R0.188 CCCCCC(=O)CCCOC(=S)C 1458a_100000212188_200135323944 [1,1,0,0,0,0|0,1,1]=4 11167 B13R0.188 CCCCCC(=O)CCCSC(=O)C 1458a_100000212188_100000038929 [1,1,0,0,0,0|0,1,1]=4 11168 B13R0.188 CCCCCC(=O)COCCC(=O)C 34a_100000759926_200012276598 [1,1,0,0,0,0|1,0,1]=4 11169 B13R0.188 CCCCCC(=O)COCCC(=O)C 7a_100000759926_200012276598 [1,1,0,0,0,0|1,0,1]=4 11170 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_100000053229_200012276598 [1,1,0,0,0,0|1,0,1]=4 11171 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_200012276598_100000053229 [1,1,0,0,0,0|1,0,1]=4 11172 B13R0.188 CCCCCC(=O)CSCOC(=O)C 62a_100000076356_200012276598 [1,1,0,0,0,0|1,0,1]=4 11173 B13R0.188 CCCCCC(=O)CSCOC(=O)C 62a_200012276598_100000076356 [1,1,0,0,0,0|1,0,1]=4 11174 B13R0.188 CCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000212188 [1,1,0,0,0,0|1,0,1]=4 11175 B13R0.188 CCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000212188 [1,1,0,0,0,0|1,0,1]=4 11176 B13R0.188 CCCCCC(=O)NCCOC(=O)C 527a_100000724843_100000212188 [1,1,0,0,0,0|1,0,1]=4 11177 B13R0.188 CCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218191 [1,1,0,0,0,0|2,0,0]=4 11178 B13R0.188 CCCCCC(C)NCCCS(=O)C 2230a_200000753449_200011218191 [1,1,0,0,0,0|2,0,0]=4 11179 B13R0.188 CCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000211708 [1,1,0,0,0,0|2,0,0]=4 11180 B13R0.188 CCCCCC(C)NCCNC(=O)C 2230a_100000209853_200011218191 [1,1,0,0,0,0|2,0,0]=4 11181 B13R0.188 CCCCCC(C)NCCNC(=O)C 2230a_100000211957_100000189650 [1,1,0,0,0,0|2,0,0]=4 11182 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [1,1,0,0,0,0|1,0,0]=3 11183 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [1,1,0,0,0,0|1,0,0]=3 11184 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [1,1,0,0,0,0|1,0,0]=3 11185 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [1,1,0,0,0,0|1,0,0]=3 11186 B13R0.188 CCCCCC(C)OCCCC(=O)N 34a_100011215632_100102525003 [1,1,0,0,0,0|2,0,0]=4 11187 B13R0.188 CCCCCC(C)OCCCC(=O)N 7a_100011215632_100102525003 [1,1,0,0,0,0|2,0,0]=4 11188 B13R0.188 CCCCCC(C)OCCNC(=O)C 34a_100000158858_200011218191 [1,1,0,0,0,0|2,0,0]=4 11189 B13R0.188 CCCCCC(C)OCCNC(=O)C 7a_100011215632_100000189650 [1,1,0,0,0,0|2,0,0]=4 11190 B13R0.188 CCCCCC(C)OCCOC(=O)C 34a_100011215632_100009814007 [1,1,0,0,0,0|1,0,0]=3 11191 B13R0.188 CCCCCC(C)OCCOC(=O)C 7a_100011215632_100009814007 [1,1,0,0,0,0|1,0,0]=3 11192 B13R0.188 CCCCCC(C)OCCOC(=O)N 34a_100011215632_200011214921 [1,1,0,0,0,0|2,0,0]=4 11193 B13R0.188 CCCCCC(C)OCCOC(=O)N 7a_100000766696_200011218191 [1,1,0,0,0,0|2,0,0]=4 11194 B13R0.188 CCCCCC(C)OCCOC(=O)N 7a_100011215632_200011214921 [1,1,0,0,0,0|2,0,0]=4 11195 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218191 [1,1,0,0,0,0|1,0,0]=3 11196 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_200011218191_100011215641 [1,1,0,0,0,0|1,0,0]=3 11197 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218191 [1,1,0,0,0,0|2,0,0]=4 11198 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_200011218191_100102525003 [1,1,0,0,0,0|2,0,0]=4 11199 B13R0.188 CCCCCC(C)SCCNC(=O)C 62a_100000189650_200011218191 [1,1,0,0,0,0|2,0,0]=4 11200 B13R0.188 CCCCCC(C)SCCNC(=O)C 62a_200011218191_100000189650 [1,1,0,0,0,0|2,0,0]=4 11201 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_100009814007_200011218191 [1,1,0,0,0,0|1,0,0]=3 11202 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_200011218191_100009814007 [1,1,0,0,0,0|1,0,0]=3 11203 B13R0.188 CCCCCC(C)SCCOC(=O)N 62a_200011214921_200011218191 [1,1,0,0,0,0|2,0,0]=4 11204 B13R0.188 CCCCCC(C)SCCOC(=O)N 62a_200011218191_200011214921 [1,1,0,0,0,0|2,0,0]=4 11205 B13R0.188 CCCCCN(C)CCCCC(=O)C 269982a_100000223495_100000735457 [1,1,0,0,0,0|1,0,0]=3 11206 B13R0.188 CCCCCN(C)CCCOC(=O)C 269982a_100000223495_100000042594 [1,1,0,0,0,0|1,0,0]=3 11207 B13R0.188 CCCCCN(C)CCCOC(=S)C 2230a_100000223495_200135323944 [1,1,0,0,0,0|1,1,0]=4 11208 B13R0.188 CCCCCN(C)CCCOC(=S)C 269982a_100000223495_200135323944 [1,1,0,0,0,0|1,1,0]=4 11209 B13R0.188 CCCCCN(C)CCCSC(=O)C 2230a_100000223495_100000038929 [1,1,0,0,0,0|1,1,0]=4 11210 B13R0.188 CCCCCN(C)CCCSC(=O)C 269982a_100000223495_100000038929 [1,1,0,0,0,0|1,1,0]=4 11211 B13R0.188 CCCOCC(=O)CCCCC(=O)C 1458a_100000745993_100000735457 [1,1,0,0,0,0|1,0,1]=4 11212 B13R0.188 CCCOCC(=O)CCCOC(=O)C 1458a_100000745993_100000042594 [1,1,0,0,0,0|1,0,1]=4 11213 B13R0.188 CCCSCC(=O)CCCCC(=O)C 1458a_100000217233_100000735457 [1,1,0,0,0,0|1,0,1]=4 11214 B13R0.188 CCCSCC(=O)CCCOC(=O)C 1458a_100000217233_100000042594 [1,1,0,0,0,0|1,0,1]=4 11215 B13R0.188 CCOCCC(=O)CCCCC(=O)C 1458a_100000749530_100000735457 [1,1,0,0,0,0|1,0,1]=4 11216 B13R0.188 CCOCCC(=O)CCCOC(=O)C 1458a_100000749530_100000042594 [1,1,0,0,0,0|1,0,1]=4 11217 B13R0.188 CCSCCC(=O)CCCCC(=O)C 1458a_100000230768_100000735457 [1,1,0,0,0,0|1,0,1]=4 11218 B13R0.188 CCSCCC(=O)CCCOC(=O)C 1458a_100000230768_100000042594 [1,1,0,0,0,0|1,0,1]=4 11219 B13R0.188 COCCCC(=O)CCCCC(=O)C 1458a_100000741012_100000735457 [1,1,0,0,0,0|1,0,1]=4 11220 B13R0.188 COCCCC(=O)CCCOC(=O)C 1458a_100000741012_100000042594 [1,1,0,0,0,0|1,0,1]=4 11221 B13R0.188 COCCCC(C)OCCCC(=O)C 34a_200011539412_100000685027 [1,1,0,0,0,0|2,0,0]=4 11222 B13R0.188 COCCCC(C)OCCCC(=O)C 7a_200011539412_100011215641 [1,1,0,0,0,0|2,0,0]=4 11223 B13R0.188 COCCCC(C)OCCOC(=O)C 34a_200011539412_100009814007 [1,1,0,0,0,0|2,0,0]=4 11224 B13R0.188 COCCCC(C)OCCOC(=O)C 7a_200011539412_100009814007 [1,1,0,0,0,0|2,0,0]=4 11225 B13R0.188 COCCCN(C)CCCCC(=O)C 269982a_100000224831_100000735457 [1,1,0,0,0,0|2,0,0]=4 11226 B13R0.188 COCCCN(C)CCCOC(=O)C 269982a_100000224831_100000042594 [1,1,0,0,0,0|2,0,0]=4 11227 B13R0.188 CSCCCC(=O)CCCCC(=O)C 1458a_100000173376_100000735457 [1,1,0,0,0,0|1,0,1]=4 11228 B13R0.188 CSCCCC(=O)CCCOC(=O)C 1458a_100000173376_100000042594 [1,1,0,0,0,0|1,0,1]=4 11229 B13R0.202 C=C(C)COCCCCCC(C)CC 7a_200000035636_100000748629 [1,1,0,0,0,0|2,0,0]=4 11230 B13R0.202 CC(=O)CCCCNCCC(C)CO 34a_106354213184_100009817362 [1,1,0,0,0,0|2,0,0]=4 11231 B13R0.202 CC(=O)CCCOCCC[C@@H](C)CN 34a_100160569302_100000685027 [1,1,0,0,0,0|2,0,0]=4 11232 B13R0.202 CC(=O)OCCCCCN[C@H](C)CO 2230a_100000737577_100009813381 [1,1,0,0,0,0|2,0,0]=4 11233 B13R0.202 CC(=O)OCCCCCOC(C)CF 34a_100016041109_100000033007 [1,1,0,0,0,0|2,0,0]=4 11234 B13R0.202 CC(=O)OCCCCCOC(C)CF 7a_100016041109_100000033007 [1,1,0,0,0,0|2,0,0]=4 11235 B13R0.202 CC(=O)OCCCCCOC(C)CN 34a_100000210904_100000033007 [1,1,0,0,0,0|2,0,0]=4 11236 B13R0.202 CC(=O)OCCCCCSC(C)CO 62a_100012180447_100000033007 [1,1,0,0,0,0|2,0,0]=4 11237 B13R0.202 CC(=O)OCCCCCS[C@H](C)CO 62a_100000033007_100016084084 [1,1,0,0,0,0|2,0,0]=4 11238 B13R0.202 CC(=O)OCCCCCS[C@H](C)CO 62a_100016084084_100000033007 [1,1,0,0,0,0|2,0,0]=4 11239 B13R0.202 CC(=O)OCCCCNCC(C)CO 34a_100000744482_100000033659 [1,1,0,0,0,0|2,0,0]=4 11240 B13R0.202 CC(=O)OCCCCNC[C@@H](F)CO 34a_100015665980_100000033659 [1,1,0,0,0,0|2,0,0]=4 11241 B13R0.202 CC(=O)OCCCCOCC(C)CN 34a_100000744482_100000033659 [1,1,0,0,0,0|2,0,0]=4 11242 B13R0.202 CC(=O)OCCCCOCC(Cl)CCl 34a_100000033668_100000033659 [1,1,0,0,0,0|2,0,0]=4 11243 B13R0.202 CC(=O)OCCCCOCC(O)CO 34a_100000073216_100011219619 [1,1,0,0,0,0|2,0,0]=4 11244 B13R0.202 CC(=O)OCCCCOCC(O)CO 7a_100000073216_100011219619 [1,1,0,0,0,0|2,0,0]=4 11245 B13R0.202 CC(=O)OCCCCOC[C@@H](C)CO 34a_100000073216_100000059175 [1,1,0,0,0,0|2,0,0]=4 11246 B13R0.202 CC(=O)OCCCCOC[C@@H](C)CO 7a_100000073216_100000059175 [1,1,0,0,0,0|2,0,0]=4 11247 B13R0.202 CC(=O)OCCCCOC[C@@H](O)CF 34a_100000073216_100015614560 [1,1,0,0,0,0|2,0,0]=4 11248 B13R0.202 CC(=O)OCCCCOC[C@@H](O)CF 7a_100000073216_100015614560 [1,1,0,0,0,0|2,0,0]=4 11249 B13R0.202 CC(=O)OCCCCOC[C@@H](O)CO 34a_100000073216_100009815848 [1,1,0,0,0,0|2,0,0]=4 11250 B13R0.202 CC(=O)OCCCCOC[C@@H](O)CO 7a_100000073216_100009815848 [1,1,0,0,0,0|2,0,0]=4 11251 B13R0.202 CC(=O)OCCCCOC[C@H](F)CN 34a_100015665980_100000033659 [1,1,0,0,0,0|2,0,0]=4 11252 B13R0.202 CC(=O)OCCCCSCC(O)CO 62a_100000033659_100011219619 [1,1,0,0,0,0|2,0,0]=4 11253 B13R0.202 CC(=O)OCCCCSCC(O)CO 62a_100011219619_100000033659 [1,1,0,0,0,0|2,0,0]=4 11254 B13R0.202 CC(=O)OCCCCSC[C@@H](C)CO 62a_100000033659_100000059175 [1,1,0,0,0,0|2,0,0]=4 11255 B13R0.202 CC(=O)OCCCCSC[C@@H](C)CO 62a_100000059175_100000033659 [1,1,0,0,0,0|2,0,0]=4 11256 B13R0.202 CC(=O)OCCCCSC[C@@H](O)CF 62a_100000033659_100015614560 [1,1,0,0,0,0|2,0,0]=4 11257 B13R0.202 CC(=O)OCCCCSC[C@@H](O)CF 62a_100015614560_100000033659 [1,1,0,0,0,0|2,0,0]=4 11258 B13R0.202 CC(=O)OCCCCSC[C@@H](O)CO 62a_100000033659_100009815848 [1,1,0,0,0,0|2,0,0]=4 11259 B13R0.202 CC(=O)OCCCCSC[C@@H](O)CO 62a_100009815848_100000033659 [1,1,0,0,0,0|2,0,0]=4 11260 B13R0.202 CC(=O)OCCCNCCC(C)CO 34a_106354213184_100000042594 [1,1,0,0,0,0|2,0,0]=4 11261 B13R0.202 CC(=O)OCCOCCC[C@@H](C)CN 34a_100160569302_100009814007 [1,1,0,0,0,0|2,0,0]=4 11262 B13R0.202 CCC(=O)COCCCCOC(=O)C 34a_100000725409_100000033659 [1,1,0,0,0,0|1,0,1]=4 11263 B13R0.202 CCC(=O)COCCCCOC(=O)C 7a_100000073216_100000747405 [1,1,0,0,0,0|1,0,1]=4 11264 B13R0.202 CCC(=O)CSCCCCOC(=O)C 62a_100000033659_100000747405 [1,1,0,0,0,0|1,0,1]=4 11265 B13R0.202 CCC(=O)CSCCCCOC(=O)C 62a_100000747405_100000033659 [1,1,0,0,0,0|1,0,1]=4 11266 B13R0.202 CCC(C)CCCCCOCC(=O)N 7a_200000035636_100000187820 [1,1,0,0,0,0|2,0,0]=4 11267 B13R0.202 CCC(C)CCCOCCCC(=O)C 7a_100011216074_100011215641 [1,1,0,0,0,0|1,0,0]=3 11268 B13R0.202 CCC(C)CCCOCCCC(=O)N 7a_100011216074_100102525003 [1,1,0,0,0,0|2,0,0]=4 11269 B13R0.202 CCC(C)CCCOCCNC(=O)C 7a_100011216074_100000189650 [1,1,0,0,0,0|2,0,0]=4 11270 B13R0.202 CCC(C)CCCOCCOC(=O)C 7a_100011216074_100009814007 [1,1,0,0,0,0|1,0,0]=3 11271 B13R0.202 CCC(C)CCCOCCOC(=O)N 7a_100011216074_200011214921 [1,1,0,0,0,0|2,0,0]=4 11272 B13R0.202 CCC(C)CCNCCCOC(=S)C 2230a_100020591266_200135323944 [1,1,0,0,0,0|1,1,0]=4 11273 B13R0.202 CCC(C)CCNCCCSC(=O)C 2230a_100020591266_100000038929 [1,1,0,0,0,0|1,1,0]=4 11274 B13R0.202 CCC(C)CCOCCCCC(=O)C 7a_100011215188_100000735457 [1,1,0,0,0,0|1,0,0]=3 11275 B13R0.202 CCC(C)CCOCCCOC(=O)C 7a_100011215188_100000042594 [1,1,0,0,0,0|1,0,0]=3 11276 B13R0.202 CCC(C)CCOCCCOC(=S)C 7a_100011215188_200135323944 [1,1,0,0,0,0|1,1,0]=4 11277 B13R0.202 CCC(C)CCOCCCSC(=O)C 7a_100011215188_100000038929 [1,1,0,0,0,0|1,1,0]=4 11278 B13R0.202 CCC(C)CNCCCCCC(=O)N 2230a_100020588543_100009817443 [1,1,0,0,0,0|2,0,0]=4 11279 B13R0.202 CCC(C)CNCCCCNC(=O)C 2230a_200011368371_100000748023 [1,1,0,0,0,0|2,0,0]=4 11280 B13R0.202 CCC(C)CNCCCCNC(=O)C 270004a_200011368371_100000243153 [1,1,0,0,0,0|2,0,0]=4 11281 B13R0.202 CCC(C)CNCCCCNC(=O)C 34a_200011368371_100000748023 [1,1,0,0,0,0|2,0,0]=4 11282 B13R0.202 CCC(C)CNCCCCSC(=O)C 2230a_100020588543_200010402107 [1,1,0,0,0,0|1,1,0]=4 11283 B13R0.202 CCC(C)COCCCCCC(=O)N 34a_100000123541_100000748023 [1,1,0,0,0,0|2,0,0]=4 11284 B13R0.202 CCC(C)COCCCCCC(=O)N 7a_100000123541_100000748023 [1,1,0,0,0,0|2,0,0]=4 11285 B13R0.202 CCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748023 [1,1,0,0,0,0|2,0,0]=4 11286 B13R0.202 CCC(C)COCCCCOC(=O)C 34a_100000073216_100000748023 [1,1,0,0,0,0|1,0,0]=3 11287 B13R0.202 CCC(C)COCCCCOC(=O)C 7a_100000073216_100000748023 [1,1,0,0,0,0|1,0,0]=3 11288 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100000748023_100009817443 [1,1,0,0,0,0|2,0,0]=4 11289 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100009817443_100000748023 [1,1,0,0,0,0|2,0,0]=4 11290 B13R0.202 CCC(C)CSCCCCOC(=O)C 62a_100000033659_100000748023 [1,1,0,0,0,0|1,0,0]=3 11291 B13R0.202 CCC(C)CSCCCCOC(=O)C 62a_100000748023_100000033659 [1,1,0,0,0,0|1,0,0]=3 11292 B13R0.202 CCC(C)CSCCCCSC(=O)C 62a_100000748023_200010402107 [1,1,0,0,0,0|1,1,0]=4 11293 B13R0.202 CCC(C)CSCCCCSC(=O)C 62a_200010402107_100000748023 [1,1,0,0,0,0|1,1,0]=4 11294 B13R0.202 CCC(C)CSCOCCOC(=O)C 62a_100000076355_100000748023 [1,1,0,0,0,0|2,0,0]=4 11295 B13R0.202 CCC(C)CSCOCCOC(=O)C 62a_100000748023_100000076355 [1,1,0,0,0,0|2,0,0]=4 11296 B13R0.202 CCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000758301 [1,1,0,0,0,0|2,0,0]=4 11297 B13R0.202 CCC(C)NCCCCCNC(=O)C 34a_200012022750_100011215416 [1,1,0,0,0,0|2,0,0]=4 11298 B13R0.202 CCC(C)NCCCCCOC(=O)C 2230a_100000209981_100009813381 [1,1,0,0,0,0|1,0,0]=3 11299 B13R0.202 CCC(C)NCCOCCOC(=O)C 2230a_100000209981_200000083610 [1,1,0,0,0,0|2,0,0]=4 11300 B13R0.202 CCC(C)OCCCCCOC(=O)C 7a_100000210228_100000033007 [1,1,0,0,0,0|1,0,0]=3 11301 B13R0.202 CCC(C)OCCOCCOC(=O)C 7a_100000210228_200000083610 [1,1,0,0,0,0|2,0,0]=4 11302 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000033007_100000758301 [1,1,0,0,0,0|1,0,0]=3 11303 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000758301_100000033007 [1,1,0,0,0,0|1,0,0]=3 11304 B13R0.202 CCC(C)SCCOCCOC(=O)C 62a_100000758301_200000083610 [1,1,0,0,0,0|2,0,0]=4 11305 B13R0.202 CCC(C)SCCOCCOC(=O)C 62a_200000083610_100000758301 [1,1,0,0,0,0|2,0,0]=4 11306 B13R0.202 CCC(O)CNCCCCCC(=O)N 2230a_100011218483_100009817443 [1,1,0,0,0,0|2,0,0]=4 11307 B13R0.202 CCC(O)CNCCCCNC(=O)C 2230a_200011368371_100011218378 [1,1,0,0,0,0|2,0,0]=4 11308 B13R0.202 CCC(O)CNCCCCNC(=O)C 34a_200011368371_100011218378 [1,1,0,0,0,0|2,0,0]=4 11309 B13R0.202 CCC(O)CNCCCCSC(=O)C 2230a_100011218483_200010402107 [1,1,0,0,0,0|1,1,0]=4 11310 B13R0.202 CCC(O)COCCCCCC(=O)N 34a_100000123541_100011218378 [1,1,0,0,0,0|2,0,0]=4 11311 B13R0.202 CCC(O)COCCCCCC(=O)N 7a_100000123541_100011218378 [1,1,0,0,0,0|2,0,0]=4 11312 B13R0.202 CCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218378 [1,1,0,0,0,0|2,0,0]=4 11313 B13R0.202 CCC(O)COCCCCOC(=O)C 34a_100000073216_100011218378 [1,1,0,0,0,0|1,0,0]=3 11314 B13R0.202 CCC(O)COCCCCOC(=O)C 7a_100000073216_100011218378 [1,1,0,0,0,0|1,0,0]=3 11315 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100009817443_100011218378 [1,1,0,0,0,0|2,0,0]=4 11316 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100011218378_100009817443 [1,1,0,0,0,0|2,0,0]=4 11317 B13R0.202 CCC(O)CSCCCCOC(=O)C 62a_100000033659_100011218378 [1,1,0,0,0,0|1,0,0]=3 11318 B13R0.202 CCC(O)CSCCCCOC(=O)C 62a_100011218378_100000033659 [1,1,0,0,0,0|1,0,0]=3 11319 B13R0.202 CCC(O)CSCCCCSC(=O)C 62a_100011218378_200010402107 [1,1,0,0,0,0|1,1,0]=4 11320 B13R0.202 CCC(O)CSCCCCSC(=O)C 62a_200010402107_100011218378 [1,1,0,0,0,0|1,1,0]=4 11321 B13R0.202 CCC(O)CSCOCCOC(=O)C 62a_100000076355_100011218378 [1,1,0,0,0,0|2,0,0]=4 11322 B13R0.202 CCC(O)CSCOCCOC(=O)C 62a_100011218378_100000076355 [1,1,0,0,0,0|2,0,0]=4 11323 B13R0.202 CCN(C)CCCOCCCC(=O)C 7a_100000759063_100015186262 [1,1,0,0,0,0|2,0,0]=4 11324 B13R0.202 CCN(C)CCCSCCCC(=O)C 62a_100011215641_100015186262 [1,1,0,0,0,0|2,0,0]=4 11325 B13R0.202 CCN(C)CCCSCCOC(=O)C 62a_100009814007_100015186262 [1,1,0,0,0,0|2,0,0]=4 11326 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 2230a_200011368371_100009816398 [1,1,0,0,0,0|2,0,0]=4 11327 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 34a_200011368371_100009816398 [1,1,0,0,0,0|2,0,0]=4 11328 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 34a_100000123541_100009816398 [1,1,0,0,0,0|2,0,0]=4 11329 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100000123541_100009816398 [1,1,0,0,0,0|2,0,0]=4 11330 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100009816381_100009817443 [1,1,0,0,0,0|2,0,0]=4 11331 B13R0.202 CC[C@H](C)COCCCCCC(=O)[O-] 7a_100102619762_100009816398 [1,1,0,0,0,0|2,0,0]=4 11332 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 34a_100000073216_100009816398 [1,1,0,0,0,0|1,0,0]=3 11333 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 7a_100000073216_100009816398 [1,1,0,0,0,0|1,0,0]=3 11334 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 7a_100009816381_100000033659 [1,1,0,0,0,0|1,0,0]=3 11335 B13R0.202 CC[C@H](C)COCCCCSC(=O)C 7a_100009816381_200010402107 [1,1,0,0,0,0|1,1,0]=4 11336 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009816398_100009817443 [1,1,0,0,0,0|2,0,0]=4 11337 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009817443_100009816398 [1,1,0,0,0,0|2,0,0]=4 11338 B13R0.202 CC[C@H](C)CSCCCCOC(=O)C 62a_100000033659_100009816398 [1,1,0,0,0,0|1,0,0]=3 11339 B13R0.202 CC[C@H](C)CSCCCCOC(=O)C 62a_100009816398_100000033659 [1,1,0,0,0,0|1,0,0]=3 11340 B13R0.202 CC[C@H](C)CSCCCCSC(=O)C 62a_100009816398_200010402107 [1,1,0,0,0,0|1,1,0]=4 11341 B13R0.202 CC[C@H](C)CSCCCCSC(=O)C 62a_200010402107_100009816398 [1,1,0,0,0,0|1,1,0]=4 11342 B13R0.202 CC[C@H](C)CSCOCCOC(=O)C 62a_100000076355_100009816398 [1,1,0,0,0,0|2,0,0]=4 11343 B13R0.202 CC[C@H](C)CSCOCCOC(=O)C 62a_100009816398_100000076355 [1,1,0,0,0,0|2,0,0]=4 11344 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000033222_200000210301 [1,1,0,0,0,0|1,0,1]=4 11345 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000070787_100010004213 [1,1,0,0,0,0|1,0,1]=4 11346 B13R0.202 COC(=O)CCCCCCCC(=O)[13CH3] 1458a_100000033222_200025704644 [1,1,0,0,0,0|1,0,1]=4 11347 B13R0.202 COC(C)CCOCCCCC(=O)C 7a_100000764861_100000735457 [1,1,0,0,0,0|2,0,0]=4 11348 B13R0.202 COC(C)CCOCCCOC(=O)C 7a_100000764861_100000042594 [1,1,0,0,0,0|2,0,0]=4 11349 B13R0.202 COC(C)COCCCCOC(=O)C 34a_100000690652_100000033659 [1,1,0,0,0,0|2,0,0]=4 11350 B13R0.202 COC(C)SCCCCCOC(=O)C 62a_100000033007_100009879195 [1,1,0,0,0,0|2,0,0]=4 11351 B13R0.202 COC(C)SCCCCCOC(=O)C 62a_100009879195_100000033007 [1,1,0,0,0,0|2,0,0]=4 11352 B13R0.280 CCCCCCCCCNS(=O)(=O)C 40a_100000212291_100000738038 [1,1,0,0,0,0|2,0,0]=4 11353 B13R0.280 CCCCCCCCCOC(C)(C)C 34a_100000210712_100000210625 [1,1,0,0,0,0|1,0,1]=4 11354 B13R0.280 CCCCCCCCCOC(C)(C)C 34a_100015890283_100011214924 [1,1,0,0,0,0|1,0,1]=4 11355 B13R0.280 CCCCCCCCCOC(C)(C)C 7a_100015890283_100000210328 [1,1,0,0,0,0|1,0,1]=4 11356 B13R0.280 CCCCCCCNCCS(=O)(=O)C 2230a_100000229938_100000731031 [1,1,0,0,0,0|2,0,0]=4 11357 B13R0.280 CCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210681 [1,1,0,0,0,0|2,0,0]=4 11358 B13R0.280 CCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210614 [1,1,0,0,0,0|2,0,0]=4 11359 B13R0.280 CCCCCCCOCCS(=O)(=O)C 34a_100000210272_100000731031 [1,1,0,0,0,0|2,0,0]=4 11360 B13R0.280 CCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210614 [1,1,0,0,0,0|2,0,0]=4 11361 B13R0.280 CCCCCCCOCCS(=O)(=O)C 7a_100000210272_100000230027 [1,1,0,0,0,0|2,0,0]=4 11362 B13R0.280 CCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210614 [1,1,0,0,0,0|2,0,0]=4 11363 B13R0.280 CCCCCCCSCCS(=O)(=O)C 62a_100000210614_100000230027 [1,1,0,0,0,0|2,0,0]=4 11364 B13R0.280 CCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210316 [1,1,0,0,0,0|2,0,0]=4 11365 B13R0.280 CCCCCCNCCCS(=O)(=O)C 2230a_100000210581_100000754308 [1,1,0,0,0,0|2,0,0]=4 11366 B13R0.280 CCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210314 [1,1,0,0,0,0|2,0,0]=4 11367 B13R0.280 CCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210314 [1,1,0,0,0,0|2,0,0]=4 11368 B13R0.280 CCCCCCNCCOS(=O)(=O)C 2230a_100000210581_200000036756 [1,1,0,0,0,0|2,0,0]=4 11369 B13R0.280 CCCCCCOCCCS(=O)(=O)C 34a_100000210259_100000754308 [1,1,0,0,0,0|2,0,0]=4 11370 B13R0.280 CCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210314 [1,1,0,0,0,0|2,0,0]=4 11371 B13R0.280 CCCCCCOCCCS(=O)(=O)C 7a_100000210259_100000754308 [1,1,0,0,0,0|2,0,0]=4 11372 B13R0.280 CCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210314 [1,1,0,0,0,0|2,0,0]=4 11373 B13R0.280 CCCCCCOCCOS(=O)(=O)C 34a_100000210259_200000036756 [1,1,0,0,0,0|2,0,0]=4 11374 B13R0.280 CCCCCCOCCOS(=O)(=O)C 7a_100000210259_200000036756 [1,1,0,0,0,0|2,0,0]=4 11375 B13R0.280 CCCCCCSCCCS(=O)(=O)C 62a_100000210314_100000754308 [1,1,0,0,0,0|2,0,0]=4 11376 B13R0.280 CCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210757 [1,1,0,0,0,0|2,0,0]=4 11377 B13R0.280 CCCCCCSCCOS(=O)(=O)C 62a_100000210314_200000036756 [1,1,0,0,0,0|2,0,0]=4 11378 B13R0.280 CCCCCCSCCOS(=O)(=O)C 62a_200000036756_100000210757 [1,1,0,0,0,0|2,0,0]=4 11379 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [1,1,0,0,0,0|1,0,1]=4 11380 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000207567_100000748629 [1,1,0,0,0,0|2,0,0]=4 11381 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000225649_100000210759 [1,1,0,0,0,0|2,0,0]=4 11382 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000207567_100000748629 [1,1,0,0,0,0|2,0,0]=4 11383 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000225649_100000210759 [1,1,0,0,0,0|2,0,0]=4 11384 B13R0.335 CC(=O)OC(C)SCCCCCCF 62a_100009818208_100015922095 [1,1,0,0,0,0|2,0,0]=4 11385 B13R0.335 CC(=O)OC(C)SCCCCCCF 62a_100015922095_100009818208 [1,1,0,0,0,0|2,0,0]=4 11386 B13R0.335 CC(=O)OC(C)SCCCCCCO 62a_100000766143_100009818208 [1,1,0,0,0,0|2,0,0]=4 11387 B13R0.335 CC(=O)OC(C)SCCCCCCO 62a_100009818208_100000766143 [1,1,0,0,0,0|2,0,0]=4 11388 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [1,1,0,0,0,0|1,0,1]=4 11389 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [1,1,0,0,0,0|1,0,1]=4 11390 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [1,1,0,0,0,0|1,0,1]=4 11391 B13R0.335 CCCCCCCCC(C)CN(C)C 270004a_100102631434_100011995885 [1,1,0,0,0,0|2,0,0]=4 11392 B13R0.335 CCCCCCCCC(C)OC(C)C 34a_100000210740_100000210206 [1,1,0,0,0,0|1,0,1]=4 11393 B13R0.335 CCCCCCCCC(C)OC(C)C 7a_100000210740_100000210206 [1,1,0,0,0,0|1,0,1]=4 11394 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000207567_100000747473 [1,1,0,0,0,0|2,0,0]=4 11395 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210759 [1,1,0,0,0,0|2,0,0]=4 11396 B13R0.335 CCCCCCCCN(C)CC(=O)N 269982a_100000207567_100000187820 [1,1,0,0,0,0|2,0,0]=4 11397 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [1,1,0,0,0,0|2,0,0]=4 11398 B13R0.335 CCCCCCCCN(C)CC(=O)[O-] 269982a_100000207567_100020667443 [1,1,0,0,0,0|2,0,0]=4 11399 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100000210614_100009818208 [1,1,0,0,0,0|1,0,0]=3 11400 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210316 [1,1,0,0,0,0|1,0,0]=3 11401 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [1,1,0,0,0,0|2,0,0]=4 11402 B13R0.335 CCCCOCCSC(C)OC(=O)C 62a_100000743108_100009818208 [1,1,0,0,0,0|2,0,0]=4 11403 B13R0.335 CCCCOCCSC(C)OC(=O)C 62a_100009818208_100000743108 [1,1,0,0,0,0|2,0,0]=4 11404 B15R0.67 CCCCCCCC(C)SC(C)OC(=O)C 62a_100009818208_200011218727 [0,2,0,0,0,0|1,0,0]=3 11405 B15R0.67 CCCCCCCC(C)SC(C)OC(=O)C 62a_200011218727_100009818208 [0,2,0,0,0,0|1,0,0]=3 11406 B15R0.87 C=CC(CCCCCCC)OCCC(=O)C 7a_200011934235_100000053229 [0,2,0,0,0,0|2,0,0]=4 11407 B15R0.87 C=CC(CCCCCCC)OCOC(=O)C 34a_200011934235_100009813279 [0,2,0,0,0,0|1,0,0]=3 11408 B15R0.87 CCCCCCCC(CC)OCCC(=O)C 7a_200011217053_100000053229 [0,2,0,0,0,0|2,0,0]=4 11409 B15R0.87 CCCCCCCC(CC)OCOC(=O)C 34a_200011217053_100009813279 [0,2,0,0,0,0|1,0,0]=3 11410 B15R0.87 CCCCCCCN(CC)CCCC(=O)C 269982a_100000228213_100011215641 [0,2,0,0,0,0|2,0,0]=4 11411 B15R0.87 CCCCCCCN(CC)CCNC(=O)C 2230a_100000228213_100000189650 [0,2,0,0,0,0|2,0,0]=4 11412 B15R0.87 CCCCCCCN(CC)CCNC(=O)C 269982a_100000228213_100000189650 [0,2,0,0,0,0|2,0,0]=4 11413 B15R0.87 CCCCCCCN(CC)CCOC(=O)C 269982a_100000228213_100009814007 [0,2,0,0,0,0|1,0,0]=3 11414 B15R0.87 CCCCCCCN(CC)CCOC(=O)N 269982a_100000228213_200011214921 [0,2,0,0,0,0|2,0,0]=4 11415 B15R0.132 CCCCCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210614 [0,2,0,0,0,0|0,1,1]=4 11416 B15R0.132 CCCCCCCC(C)C(=O)CNC(=O)C 1458a_100000194580_200011218727 [0,2,0,0,0,0|1,0,1]=4 11417 B15R0.132 CCCCCCCC(C)C(=O)COC(=O)C 1458a_100000183556_200011218727 [0,2,0,0,0,0|0,0,1]=3 11418 B15R0.132 CCCCCCCC(C)C(=O)CSC(=O)C 1458a_100000049016_200011218727 [0,2,0,0,0,0|0,1,1]=4 11419 B15R0.132 CCCCCCCN(C)C(=O)COC(=O)C 1626a_100000228206_100000183556 [0,2,0,0,0,0|1,0,1]=4 11420 B15R0.132 CCCCCCCN(C)C(=O)COC(=O)C 240690a_100000228206_100000183556 [0,2,0,0,0,0|1,0,1]=4 11421 B15R0.132 CCCCCCCN(C)C(=O)COC(=O)C 527a_100000228206_100000183556 [0,2,0,0,0,0|1,0,1]=4 11422 B15R0.132 CCCCCCCN(C)C(C)COC(=O)C 270004a_100000228206_100000000629 [0,2,0,0,0,0|1,0,0]=3 11423 B15R0.137 C=CC(=O)OCCC(=O)CCCCCCC 1458a_100000065099_100000210614 [0,2,0,0,0,0|0,0,2]=4 11424 B15R0.137 C=CC(=O)OCCC(=O)CCCCCCC 1458a_100000211969_100009813456 [0,2,0,0,0,0|0,0,2]=4 11425 B15R0.137 C=CC(=O)OCCN(C)CCCCCCC 2230a_100000228206_100009813456 [0,2,0,0,0,0|1,0,1]=4 11426 B15R0.137 C=CC(=O)OCCN(C)CCCCCCC 269982a_100000228206_100009813456 [0,2,0,0,0,0|1,0,1]=4 11427 B15R0.137 CCCCCCCC(=O)CCCC(=O)NC 1458a_100000211969_100000741757 [0,2,0,0,0,0|1,0,1]=4 11428 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC 1458a_100000211969_100011218270 [0,2,0,0,0,0|1,0,1]=4 11429 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210614 [0,2,0,0,0,0|1,0,1]=4 11430 B15R0.137 CCCCCCCC(=O)CCOC(=O)NC 1458a_100000211969_200011997002 [0,2,0,0,0,0|0,0,1]=3 11431 B15R0.137 CCCCCCCC(C)NCCC(=O)NC 2230a_100000738227_200011218727 [0,2,0,0,0,0|2,0,0]=4 11432 B15R0.137 CCCCCCCC(C)NCCC(=O)NC 270004a_100000738227_100000210596 [0,2,0,0,0,0|2,0,0]=4 11433 B15R0.137 CCCCCCCC(C)NCCC(=O)NC 34a_100000738227_200011218727 [0,2,0,0,0,0|2,0,0]=4 11434 B15R0.137 CCCCCCCC(C)OCCC(=O)NC 34a_100000754576_200011218727 [0,2,0,0,0,0|2,0,0]=4 11435 B15R0.137 CCCCCCCC(C)OCCC(=O)NC 34a_200011215852_100012179268 [0,2,0,0,0,0|2,0,0]=4 11436 B15R0.137 CCCCCCCC(C)OCCC(=O)NC 7a_200011215852_100000737683 [0,2,0,0,0,0|2,0,0]=4 11437 B15R0.137 CCCCCCCC(C)OCCC(=O)OC 34a_200011215852_100000742370 [0,2,0,0,0,0|2,0,0]=4 11438 B15R0.137 CCCCCCCC(C)OCCC(=O)OC 7a_200011215852_100000204255 [0,2,0,0,0,0|2,0,0]=4 11439 B15R0.137 CCCCCCCC(C)SCCC(=O)NC 62a_100000737683_200011218727 [0,2,0,0,0,0|2,0,0]=4 11440 B15R0.137 CCCCCCCC(C)SCCC(=O)NC 62a_200011218727_100000737683 [0,2,0,0,0,0|2,0,0]=4 11441 B15R0.137 CCCCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218727 [0,2,0,0,0,0|2,0,0]=4 11442 B15R0.137 CCCCCCCC(C)SCCC(=O)OC 62a_200011218727_100000204255 [0,2,0,0,0,0|2,0,0]=4 11443 B15R0.137 CCCCCCCC(C)SCOC(=O)OC 62a_200011218727_100000139417 [0,2,0,0,0,0|1,0,0]=3 11444 B15R0.137 CCCCCCCN(C)CCCC(=O)NC 2230a_100000228206_100000741757 [0,2,0,0,0,0|2,0,0]=4 11445 B15R0.137 CCCCCCCN(C)CCCC(=O)NC 269982a_100000228206_100000741757 [0,2,0,0,0,0|2,0,0]=4 11446 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 2230a_100000228206_100011218270 [0,2,0,0,0,0|2,0,0]=4 11447 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 269982a_100000228206_100011218270 [0,2,0,0,0,0|2,0,0]=4 11448 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210681 [0,2,0,0,0,0|2,0,0]=4 11449 B15R0.137 CCCCCCCN(C)CCOC(=O)NC 269982a_100000228206_200011997002 [0,2,0,0,0,0|1,0,0]=3 11450 B15R0.137 CNC(=O)OCCC(=O)CCCCCCO 1458a_100011996774_200011997002 [0,2,0,0,0,0|1,0,1]=4 11451 B15R0.137 CNC(=O)OCCC(=O)CCCCCOC 1458a_100011935119_200011997002 [0,2,0,0,0,0|1,0,1]=4 11452 B15R0.139 CCCCCCCC(=O)CCOS(=O)(=O)C 1458a_100000211969_200000036756 [0,2,0,0,0,0|1,0,1]=4 11453 B15R0.139 CCCCCCCN(C)CCOS(=O)(=O)C 2230a_100000228206_200000036756 [0,2,0,0,0,0|2,0,0]=4 11454 B15R0.139 CCCCCCCN(C)CCOS(=O)(=O)C 269982a_100000228206_200000036756 [0,2,0,0,0,0|2,0,0]=4 11455 B15R0.221 CC(=O)CCCC(=O)CCCCCC(C)C 1458a_100000766313_100011215641 [0,2,0,0,0,0|1,0,1]=4 11456 B15R0.221 CC(=O)CCCCOC(C)CCCC(C)C 34a_200011218570_100009817362 [0,2,0,0,0,0|2,0,0]=4 11457 B15R0.221 CC(=O)CCCCOC(C)CCCC(C)C 7a_200011218570_100000735457 [0,2,0,0,0,0|2,0,0]=4 11458 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 34a_100000759926_100009816328 [0,2,0,0,0,0|2,0,0]=4 11459 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 7a_100000015991_100000053229 [0,2,0,0,0,0|2,0,0]=4 11460 B15R0.221 CC(=O)CCOCCC(C)CCCC(C)C 7a_100000759926_100009816328 [0,2,0,0,0,0|2,0,0]=4 11461 B15R0.221 CC(=O)CCSCCC(C)CCCC(C)C 62a_100000053229_100009816328 [0,2,0,0,0,0|2,0,0]=4 11462 B15R0.221 CC(=O)CCSCCC(C)CCCC(C)C 62a_100009816328_100000053229 [0,2,0,0,0,0|2,0,0]=4 11463 B15R0.221 CC(=O)NCCC(=O)CCCCCC(C)C 1458a_100000183196_100000210682 [0,2,0,0,0,0|1,0,1]=4 11464 B15R0.221 CC(=O)NCCC(=O)CCCCCC(C)C 1458a_100000766313_100000189650 [0,2,0,0,0,0|1,0,1]=4 11465 B15R0.221 CC(=O)NCCCNC(C)CCCC(C)C 270004a_100000736810_100000753411 [0,2,0,0,0,0|2,0,0]=4 11466 B15R0.221 CC(=O)OCCC(=O)CCCCCC(C)C 1458a_100000766313_100009814007 [0,2,0,0,0,0|0,0,1]=3 11467 B15R0.221 CC(=O)OCCCCC(=O)CCCC(C)C 1458a_100011216857_100000033659 [0,2,0,0,0,0|0,0,1]=3 11468 B15R0.221 CC(=O)OCCCCC(=O)COCC(C)C 1458a_100011223364_100000033659 [0,2,0,0,0,0|1,0,1]=4 11469 B15R0.221 CC(=O)OCCCCN(C)CCCN(C)C 269982a_100000225831_100000033659 [0,2,0,0,0,0|2,0,0]=4 11470 B15R0.221 CC(=O)OCCCOC(C)CCCC(C)C 34a_200011218570_100000042594 [0,2,0,0,0,0|1,0,0]=3 11471 B15R0.221 CC(=O)OCCCOC(C)CCCC(C)C 7a_200011218570_100000042594 [0,2,0,0,0,0|1,0,0]=3 11472 B15R0.221 CC(=O)OCOCCC(C)CCCC(C)C 34a_100000015991_100009813279 [0,2,0,0,0,0|1,0,0]=3 11473 B15R0.221 CC(=O)OCSCCC(C)CCCC(C)C 62a_100000076356_100009816328 [0,2,0,0,0,0|1,0,0]=3 11474 B15R0.221 CC(=O)OCSCCC(C)CCCC(C)C 62a_100009816328_100000076356 [0,2,0,0,0,0|1,0,0]=3 11475 B15R0.221 CC(=O)SCCC(=O)CCCCCC(C)C 1458a_100000048949_100000210682 [0,2,0,0,0,0|0,1,1]=4 11476 B15R0.221 CC(=O)SCCCCC(=O)CCCC(C)C 1458a_100011216857_200010402107 [0,2,0,0,0,0|0,1,1]=4 11477 B15R0.221 CC(=O)SCCCNC(C)CCCC(C)C 2230a_100000210607_100000038929 [0,2,0,0,0,0|1,1,0]=4 11478 B15R0.221 CC(=O)SCCCOC(C)CCCC(C)C 34a_200011218570_100000038929 [0,2,0,0,0,0|1,1,0]=4 11479 B15R0.221 CC(=O)SCCCOC(C)CCCC(C)C 7a_200011218570_100000038929 [0,2,0,0,0,0|1,1,0]=4 11480 B15R0.221 CC(=S)OCCCNC(C)CCCC(C)C 2230a_100000210607_200135323944 [0,2,0,0,0,0|1,1,0]=4 11481 B15R0.221 CC(=S)OCCCOC(C)CCCC(C)C 34a_200011218570_200135323944 [0,2,0,0,0,0|1,1,0]=4 11482 B15R0.221 CC(=S)OCCCOC(C)CCCC(C)C 7a_200011218570_200135323944 [0,2,0,0,0,0|1,1,0]=4 11483 B15R0.221 CC(C)CCCCCC(=O)CCOC(=O)N 1458a_100000766313_200011214921 [0,2,0,0,0,0|1,0,1]=4 11484 B15R0.323 CCCCCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210614 [0,2,0,0,0,0|1,0,1]=4 11485 B15R0.323 CCCCCCCC(C)OCC(=O)C(=O)C 34a_200011215852_100011261029 [0,2,0,0,0,0|2,0,0]=4 11486 B15R0.323 CCCCCCCC(C)OCC(C)C(=O)C 34a_100000032740_200011218727 [0,2,0,0,0,0|2,0,0]=4 11487 B15R0.323 CCCCCCCC(C)OCC(C)C(=O)C 7a_100000032740_200011218727 [0,2,0,0,0,0|2,0,0]=4 11488 B15R0.323 CCCCCCCC(C)SCC(=O)C(=O)C 62a_100011261029_200011218727 [0,2,0,0,0,0|2,0,0]=4 11489 B15R0.323 CCCCCCCC(C)SCC(=O)C(=O)C 62a_200011218727_100011261029 [0,2,0,0,0,0|2,0,0]=4 11490 B15R0.329 CCCCCCC(C)C(=O)CCNC(=O)C 1458a_100000183196_100011215978 [0,2,0,0,0,0|1,0,1]=4 11491 B15R0.329 CCCCCCC(C)C(=O)CCSC(=O)C 1458a_100000048949_100011215978 [0,2,0,0,0,0|0,1,1]=4 11492 B15R0.329 CCCCCCC(O)C(=O)CCCC(=O)C 1458a_100011215828_100011215641 [0,2,0,0,0,0|1,0,1]=4 11493 B15R0.329 CCCCCCC(O)C(=O)CCNC(=O)C 1458a_100011215828_100000189650 [0,2,0,0,0,0|1,0,1]=4 11494 B15R0.329 CCCCCCC(O)C(=O)CCOC(=O)C 1458a_100011215828_100009814007 [0,2,0,0,0,0|0,0,1]=3 11495 B15R0.329 CCCCCCC(O)C(=O)CCOC(=O)N 1458a_100011215828_200011214921 [0,2,0,0,0,0|1,0,1]=4 11496 B15R0.367 C#CCCCCCCC(=O)CCOC(=O)C 1458a_100000034748_100009814007 [0,2,0,0,0,0|0,0,2]=4 11497 B15R0.367 C=C(C)CCOC(C)CCCCCCCC 34a_100000210740_100000730704 [0,2,0,0,0,0|2,0,0]=4 11498 B15R0.367 C=C(C)CCOC(C)CCCCCCCC 7a_100000210740_100000730704 [0,2,0,0,0,0|2,0,0]=4 11499 B15R0.367 C=C(C)COCC(C)CCCCCCCC 34a_200012125181_100000748629 [0,2,0,0,0,0|1,0,0]=3 11500 B15R0.367 C=C(C)COCC(C)CCCCCCCC 7a_200012125181_100000748629 [0,2,0,0,0,0|1,0,0]=3 11501 B15R0.367 C=C(F)COCC(C)CCCCCCCC 34a_200012125181_100009893438 [0,2,0,0,0,0|1,0,1]=4 11502 B15R0.367 C=C(F)COCC(C)CCCCCCCC 7a_200012125181_100000042424 [0,2,0,0,0,0|1,0,1]=4 11503 B15R0.367 C=CCCCCCCC(=O)CCOC(=O)C 1458a_100011809334_100009814007 [0,2,0,0,0,0|0,0,2]=4 11504 B15R0.367 CC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100011215641 [0,2,0,0,0,0|1,0,1]=4 11505 B15R0.367 CC(=O)NCCC(=O)CCCCCCCO 1458a_100000183196_100000760002 [0,2,0,0,0,0|1,0,1]=4 11506 B15R0.367 CC(=O)NCCC(=O)CCCCCCCO 1458a_100011219782_100000189650 [0,2,0,0,0,0|1,0,1]=4 11507 B15R0.367 CC(=O)OCCC(=O)CCCCCCCO 1458a_100011219782_100009814007 [0,2,0,0,0,0|0,0,1]=3 11508 B15R0.367 CC(=O)SCCC(=O)CCCCCCCO 1458a_100000048949_100000760002 [0,2,0,0,0,0|0,1,1]=4 11509 B15R0.367 CCCCC/C=C/CC(=O)CCOC(=O)C 1458a_100020675968_100009814007 [0,2,0,0,0,0|0,0,2]=4 11510 B15R0.367 CCCCCCC=CC(=O)CCOC(=O)C 1458a_200015324643_100009814007 [0,2,0,0,0,0|0,0,2]=4 11511 B15R0.367 CCCCCCCCC(=O)CCC=C(C)C 1458a_100000210188_100011217483 [0,2,0,0,0,0|2,0,0]=4 11512 B15R0.367 CCCCCCCCC(=O)CCCC(=O)C 1458a_100000210188_100011215641 [0,2,0,0,0,0|1,0,0]=3 11513 B15R0.367 CCCCCCCCC(=O)CCCC(=O)N 1458a_100000210188_100102525003 [0,2,0,0,0,0|2,0,0]=4 11514 B15R0.367 CCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210759 [0,2,0,0,0,0|1,0,0]=3 11515 B15R0.367 CCCCCCCCC(=O)CCNC(=O)C 1458a_100000210188_100000189650 [0,2,0,0,0,0|1,0,0]=3 11516 B15R0.367 CCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210759 [0,2,0,0,0,0|2,0,0]=4 11517 B15R0.367 CCCCCCCCC(=O)CCNC(=O)N 1458a_100000210188_200000034859 [0,2,0,0,0,0|2,0,0]=4 11518 B15R0.367 CCCCCCCCC(=O)CCOC(=O)C 1458a_100000210188_100009814007 [0,2,0,0,0,0|0,0,0]=2 11519 B15R0.367 CCCCCCCCC(=O)CCOC(=O)N 1458a_100000210188_200011214921 [0,2,0,0,0,0|1,0,0]=3 11520 B15R0.367 CCCCCCCCC(=O)CCOC(C)C 1458a_100000210188_100000211751 [0,2,0,0,0,0|1,0,1]=4 11521 B15R0.367 CCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210759 [0,2,0,0,0,0|0,1,0]=3 11522 B15R0.367 CCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210759 [0,2,0,0,0,0|1,0,1]=4 11523 B15R0.367 CCCCCCCCC(C)C=NNC(=O)C 4a_100000189765_100011995885 [0,2,0,0,0,0|1,0,1]=4 11524 B15R0.367 CCCCCCCCC(C)COCC(=O)N 34a_200012125181_100000187820 [0,2,0,0,0,0|1,0,0]=3 11525 B15R0.367 CCCCCCCCC(C)COCC(=O)N 7a_200012125181_100000187820 [0,2,0,0,0,0|1,0,0]=3 11526 B15R0.367 CCCCCCCCC(C)COCC(=O)[O-] 34a_200012125181_100020667443 [0,2,0,0,0,0|1,0,0]=3 11527 B15R0.367 CCCCCCCCC(C)COCC(C)C 34a_200012125181_100000210624 [0,2,0,0,0,0|1,0,1]=4 11528 B15R0.367 CCCCCCCCC(C)COCC(C)C 7a_200012125181_100000210760 [0,2,0,0,0,0|1,0,1]=4 11529 B15R0.367 CCCCCCCCC(C)COCC(C)O 34a_200012125181_100011218427 [0,2,0,0,0,0|0,0,2]=4 11530 B15R0.367 CCCCCCCCC(C)COCC(C)O 7a_200012125181_100011218427 [0,2,0,0,0,0|0,0,2]=4 11531 B15R0.367 CCCCCCCCC(C)COC[C@@H](C)O 34a_200012125181_100009817552 [0,2,0,0,0,0|0,0,2]=4 11532 B15R0.367 CCCCCCCCC(C)COC[C@@H](C)O 7a_200012125181_100009817552 [0,2,0,0,0,0|0,0,2]=4 11533 B15R0.367 CCCCCCCCC(C)COC[N+](=O)[O-] 34a_200012125181_100000761209 [0,2,0,0,0,0|2,0,0]=4 11534 B15R0.367 CCCCCCCCC(C)NCC=C(C)C 270004a_100000718196_100011216694 [0,2,0,0,0,0|2,0,0]=4 11535 B15R0.367 CCCCCCCCC(C)OCC=C(C)C 34a_100000210740_100000761012 [0,2,0,0,0,0|2,0,0]=4 11536 B15R0.367 CCCCCCCCC(C)OCC=C(C)C 7a_100000210740_100000761012 [0,2,0,0,0,0|2,0,0]=4 11537 B15R0.367 CCCCCCCCC(C)OCCC(=O)C 7a_100000210740_100000053229 [0,2,0,0,0,0|1,0,0]=3 11538 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 34a_100000210740_100000731001 [0,2,0,0,0,0|2,0,0]=4 11539 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 7a_100000210740_100000744528 [0,2,0,0,0,0|2,0,0]=4 11540 B15R0.367 CCCCCCCCC(C)OCOC(=O)C 34a_100000210740_100009813279 [0,2,0,0,0,0|0,0,0]=2 11541 B15R0.367 CCCCCCCCC(C)OCOC(C)C 34a_100000210740_100000709892 [0,2,0,0,0,0|1,0,1]=4 11542 B15R0.367 CCCCCCCCN(C)CCC=C(C)C 2230a_100000207567_100011217483 [0,2,0,0,0,0|2,0,0]=4 11543 B15R0.367 CCCCCCCCN(C)CCC=C(C)C 269982a_100000207567_100011217483 [0,2,0,0,0,0|2,0,0]=4 11544 B15R0.367 CCCCCCCCN(C)CCCC(=O)C 269982a_100000207567_100011215641 [0,2,0,0,0,0|1,0,0]=3 11545 B15R0.367 CCCCCCCCN(C)CCCC(=O)N 269982a_100000207567_100102525003 [0,2,0,0,0,0|2,0,0]=4 11546 B15R0.367 CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210759 [0,2,0,0,0,0|2,0,0]=4 11547 B15R0.367 CCCCCCCCN(C)CCNC(=O)C 2230a_100000207567_100000189650 [0,2,0,0,0,0|1,0,0]=3 11548 B15R0.367 CCCCCCCCN(C)CCNC(=O)C 269982a_100000207567_100000189650 [0,2,0,0,0,0|1,0,0]=3 11549 B15R0.367 CCCCCCCCN(C)CCNC(=O)N 2230a_100000207567_200000034859 [0,2,0,0,0,0|2,0,0]=4 11550 B15R0.367 CCCCCCCCN(C)CCNC(=O)N 269982a_100000207567_200000034859 [0,2,0,0,0,0|2,0,0]=4 11551 B15R0.367 CCCCCCCCN(C)CCOC(=O)C 269982a_100000207567_100009814007 [0,2,0,0,0,0|0,0,0]=2 11552 B15R0.367 CCCCCCCCN(C)CCOC(=O)N 269982a_100000207567_200011214921 [0,2,0,0,0,0|1,0,0]=3 11553 B15R0.367 CCCCCCCCN(C)CCOC(C)C 2230a_100000207567_100000211751 [0,2,0,0,0,0|1,0,1]=4 11554 B15R0.367 CCCCCCCCN(C)CCOC(C)C 269982a_100000207567_100000211751 [0,2,0,0,0,0|1,0,1]=4 11555 B15R0.367 CCCCCCCNC(=O)CCNC(=O)C 11a_100000229938_100000183196 [0,2,0,0,0,0|1,0,1]=4 11556 B15R0.367 CCCCCCCNC(=O)CCNC(=O)C 1626a_100000229938_100000183196 [0,2,0,0,0,0|1,0,1]=4 11557 B15R0.367 CCCCCCCNC(=O)CCNC(=O)C 240690a_100000229938_100000183196 [0,2,0,0,0,0|1,0,1]=4 11558 B15R0.367 CCCCCCCNC(=O)CCNC(=O)C 527a_100000229938_100000183196 [0,2,0,0,0,0|1,0,1]=4 11559 B15R0.367 CCCCCCCNC(=O)CCSC(=O)C 1626a_100000229938_100000048949 [0,2,0,0,0,0|0,1,1]=4 11560 B15R0.367 CCCCCCCNC(=O)CCSC(=O)C 240690a_100000229938_100000048949 [0,2,0,0,0,0|0,1,1]=4 11561 B15R0.367 CCCCCCCNC(C)CCC=C(C)C 270004a_100000229938_100000765506 [0,2,0,0,0,0|2,0,0]=4 11562 B15R0.367 CCCCCCCNC(C)CCOC(C)C 270004a_100000229938_200011219172 [0,2,0,0,0,0|1,0,1]=4 11563 B15R0.367 CCCCCCCOC(C)CCC=C(C)C 34a_100102619829_100000210614 [0,2,0,0,0,0|2,0,0]=4 11564 B15R0.367 CCCCCCCOC(C)CCC=C(C)C 7a_100102619829_100000210614 [0,2,0,0,0,0|2,0,0]=4 11565 B15R0.367 CCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210614 [0,2,0,0,0,0|2,0,0]=4 11566 B15R0.367 CCCCCCNCC(C)CCC=C(C)C 270004a_100000210581_100000033009 [0,2,0,0,0,0|2,0,0]=4 11567 B15R0.367 CCCCCNCCC(C)CCC=C(C)C 2230a_100000209983_100009814015 [0,2,0,0,0,0|2,0,0]=4 11568 B15R0.367 CCCCCNCCC(C)CCC=C(C)C 269862a_100000209983_100000212096 [0,2,0,0,0,0|2,0,0]=4 11569 B15R0.367 CCCCCNCCC(C)CCC=C(C)C 270004a_100000209983_100000212096 [0,2,0,0,0,0|2,0,0]=4 11570 B15R0.367 CCCCCOCCC(C)CCC=C(C)C 34a_100000017536_100000718602 [0,2,0,0,0,0|2,0,0]=4 11571 B15R0.367 CCCCCOCCC(C)CCC=C(C)C 34a_100000210253_100009814015 [0,2,0,0,0,0|2,0,0]=4 11572 B15R0.367 CCCCCOCCC(C)CCC=C(C)C 7a_100000017536_100000210326 [0,2,0,0,0,0|2,0,0]=4 11573 B15R0.367 CCCCCOCCC(C)CCC=C(C)C 7a_100000210253_100009814015 [0,2,0,0,0,0|2,0,0]=4 11574 B15R0.367 CCCCCSCCC(C)CCC=C(C)C 62a_100000210326_100009814015 [0,2,0,0,0,0|2,0,0]=4 11575 B15R0.367 CCCCCSCCC(C)CCC=C(C)C 62a_100009814015_100000210326 [0,2,0,0,0,0|2,0,0]=4 11576 B15R0.367 COCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011998445 [0,2,0,0,0,0|1,0,1]=4 11577 B15R0.367 COCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011998445 [0,2,0,0,0,0|0,1,1]=4 11578 B15R0.367 NC(=O)OCCC(=O)CCCCCCCO 1458a_100011219782_200011214921 [0,2,0,0,0,0|1,0,1]=4 11579 B15R0.3451 CCCCC(C)CCC(=O)CCCC(=O)C 1458a_100000033779_100011215641 [0,2,0,0,0,0|1,0,1]=4 11580 B15R0.3451 CCCCC(C)CCC(=O)CCNC(=O)C 1458a_100000033779_100000189650 [0,2,0,0,0,0|1,0,1]=4 11581 B15R0.3451 CCCCC(C)CCC(=O)CCOC(=O)C 1458a_100000033779_100009814007 [0,2,0,0,0,0|0,0,1]=3 11582 B15R0.3451 CCCCC(C)CCC(=O)CCOC(=O)N 1458a_100000033779_200011214921 [0,2,0,0,0,0|1,0,1]=4 11583 B15R0.4281 CCCCCCCC(C)(C)OCCC(=O)C 34a_100000759926_200000046972 [0,2,0,0,0,0|2,0,0]=4 11584 B15R0.4281 CCCCCCCC(C)(C)OCCC(=O)C 7a_100000759926_200000046972 [0,2,0,0,0,0|2,0,0]=4 11585 B15R0.4281 CCCCCCCC(C)(C)SCCC(=O)C 62a_100000053229_200000046972 [0,2,0,0,0,0|2,0,0]=4 11586 B15R0.4281 CCCCCCCC(C)(C)SCCC(=O)C 62a_200000046972_100000053229 [0,2,0,0,0,0|2,0,0]=4 11587 B15R0.4281 CCCCCCCC(C)(C)SCOC(=O)C 62a_100000076356_200000046972 [0,2,0,0,0,0|1,0,0]=3 11588 B15R0.4281 CCCCCCCC(C)(C)SCOC(=O)C 62a_200000046972_100000076356 [0,2,0,0,0,0|1,0,0]=3 11589 B15R0.4281 CCCCCCNS(=O)(=O)CCOC(=O)C 270084a_100000210581_200000119425 [0,2,0,0,0,0|2,0,0]=4 11590 B15R0.4281 CCCCCCNS(=O)(=O)CCOC(=O)C 274078a_100000210581_200000119425 [0,2,0,0,0,0|2,0,0]=4 11591 B15R0.226 CC(=O)CCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100009817362 [0,2,0,0,0,0|2,0,0]=4 11592 B15R0.226 CC(=O)NCCCCCNC(C)CC(C)C 2230a_200012022750_100000731052 [0,2,0,0,0,0|2,0,0]=4 11593 B15R0.226 CC(=O)NCCCCCNC(C)CC(C)C 34a_200012022750_100000731052 [0,2,0,0,0,0|2,0,0]=4 11594 B15R0.226 CC(=O)OCCCCCNC(C)CC(C)C 2230a_100000692259_100009813381 [0,2,0,0,0,0|1,0,0]=3 11595 B15R0.226 CC(=O)OCCCCCOC(C)CC(C)C 34a_100000211805_100000033007 [0,2,0,0,0,0|1,0,0]=3 11596 B15R0.226 CC(=O)OCCCCCOC(C)CC(C)C 7a_100000211805_100000033007 [0,2,0,0,0,0|1,0,0]=3 11597 B15R0.226 CC(=O)OCCCCCSC(C)CC(C)C 62a_100000033007_100000731052 [0,2,0,0,0,0|1,0,0]=3 11598 B15R0.226 CC(=O)OCCCCCSC(C)CC(C)C 62a_100000731052_100000033007 [0,2,0,0,0,0|1,0,0]=3 11599 B15R0.226 CC(=O)OCCCCCSC(C)CN(C)C 62a_100000033007_100020606517 [0,2,0,0,0,0|2,0,0]=4 11600 B15R0.226 CC(=O)OCCCCCSC(C)CN(C)C 62a_100020606517_100000033007 [0,2,0,0,0,0|2,0,0]=4 11601 B15R0.226 CC(=O)OCCCCOCC(C)CN(C)C 7a_100000073216_100015348159 [0,2,0,0,0,0|2,0,0]=4 11602 B15R0.226 CC(=O)OCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000033659 [0,2,0,0,0,0|1,0,0]=3 11603 B15R0.226 CC(=O)OCCCCSCC(C)CN(C)C 62a_100000033659_100015348159 [0,2,0,0,0,0|2,0,0]=4 11604 B15R0.226 CC(=O)OCCCCSCC(C)CN(C)C 62a_100015348159_100000033659 [0,2,0,0,0,0|2,0,0]=4 11605 B15R0.226 CC(=O)OCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000042594 [0,2,0,0,0,0|1,0,0]=3 11606 B15R0.226 CC(=O)OCCOCCNC(C)CC(C)C 2230a_100000692259_200000083610 [0,2,0,0,0,0|2,0,0]=4 11607 B15R0.226 CC(=O)OCCOCCOC(C)CC(C)C 34a_100000211805_200000083610 [0,2,0,0,0,0|2,0,0]=4 11608 B15R0.226 CC(=O)OCCOCCOC(C)CC(C)C 7a_100000211805_200000083610 [0,2,0,0,0,0|2,0,0]=4 11609 B15R0.226 CC(=O)OCCOCCSC(C)CC(C)C 62a_100000731052_200000083610 [0,2,0,0,0,0|2,0,0]=4 11610 B15R0.226 CC(=O)OCCOCCSC(C)CC(C)C 62a_200000083610_100000731052 [0,2,0,0,0,0|2,0,0]=4 11611 B15R0.226 CC(=O)OCCOCOC[C@@H](N)CC(C)C 34a_100011830311_100000076355 [0,2,0,0,0,0|2,0,0]=4 11612 B15R0.226 CC(=O)SCCCCOC[C@@H](N)CC(C)C 34a_100011830311_200010402107 [0,2,0,0,0,0|1,1,0]=4 11613 B15R0.226 CC(=O)SCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000038929 [0,2,0,0,0,0|1,1,0]=4 11614 B15R0.226 CC(=S)OCCCOCC[C@@H](N)CC(C)C 34a_100161151251_200135323944 [0,2,0,0,0,0|1,1,0]=4 11615 B15R0.247 C#CC(O)CCCCCSCCOC(=O)C 62a_100009814007_200010408556 [0,2,0,0,0,0|0,0,2]=4 11616 B15R0.247 C#CC(O)CCCCCSCCOC(=O)C 62a_200010408556_100009814007 [0,2,0,0,0,0|0,0,2]=4 11617 B15R0.247 C=CC(=O)OCCCCCCNCC(C)C 2230a_100000210953_100009894100 [0,2,0,0,0,0|1,0,1]=4 11618 B15R0.247 C=CC(=O)OCCCCCCNCC(C)C 34a_100000210953_100009894100 [0,2,0,0,0,0|1,0,1]=4 11619 B15R0.247 C=CC(=O)OCCCCCCNCC(C)O 2230a_100000210904_100009894100 [0,2,0,0,0,0|1,0,1]=4 11620 B15R0.247 C=CC(=O)OCCCCCCNCC(C)O 34a_100000210904_100009894100 [0,2,0,0,0,0|1,0,1]=4 11621 B15R0.247 C=CC(=O)OCCCCCCOCC(C)Br 34a_100012180447_100009894100 [0,2,0,0,0,0|1,0,1]=4 11622 B15R0.247 C=CC(=O)OCCCCCCOCC(C)C 34a_100000210257_100009894100 [0,2,0,0,0,0|1,0,1]=4 11623 B15R0.247 C=CC(=O)OCCCCCCOCC(C)F 34a_100015925927_100009894100 [0,2,0,0,0,0|1,0,1]=4 11624 B15R0.247 C=CC(=O)OCCCCCCOC[C@@H](C)Cl 34a_100016084084_100009894100 [0,2,0,0,0,0|1,0,1]=4 11625 B15R0.247 C=CC(=O)OCCCCCCOC[C@@H](C)N 34a_100000737577_100009894100 [0,2,0,0,0,0|1,0,1]=4 11626 B15R0.247 C=CC(=O)OCCCCCCSCC(C)C 62a_100000210624_100009894100 [0,2,0,0,0,0|1,0,1]=4 11627 B15R0.247 C=CC(=O)OCCCCCCSCC(C)C 62a_100009894100_100000210760 [0,2,0,0,0,0|1,0,1]=4 11628 B15R0.247 C=CC(=O)OCCCCCCSCC(C)O 62a_100009894100_100011218427 [0,2,0,0,0,0|1,0,1]=4 11629 B15R0.247 C=CC(=O)OCCCCCCSCC(C)O 62a_100011218427_100009894100 [0,2,0,0,0,0|1,0,1]=4 11630 B15R0.247 C=CC(=O)OCCCCCCSC[C@@H](C)O 62a_100009817552_100009894100 [0,2,0,0,0,0|1,0,1]=4 11631 B15R0.247 C=CC(=O)OCCCCCCSC[C@@H](C)O 62a_100009894100_100009817552 [0,2,0,0,0,0|1,0,1]=4 11632 B15R0.247 C=CC(=O)OCCCCCOCCC(C)C 7a_200011023508_100000210626 [0,2,0,0,0,0|1,0,1]=4 11633 B15R0.247 C=CC(=O)OCCCCCOCCC(C)O 7a_200011023508_100012276601 [0,2,0,0,0,0|1,0,1]=4 11634 B15R0.247 C=CC(=O)OCCNCCCCCC(C)C 2230a_100011290863_100009813456 [0,2,0,0,0,0|1,0,1]=4 11635 B15R0.247 C=CC(=O)OCCNCCCCCC(C)C 34a_100011290863_100009813456 [0,2,0,0,0,0|1,0,1]=4 11636 B15R0.247 C=CC(=O)OCCOCCCCCC(C)C 34a_100011995859_100009813456 [0,2,0,0,0,0|1,0,1]=4 11637 B15R0.247 C=CC(=O)OCCOCCCCCC(C)C 7a_100011995859_100009813456 [0,2,0,0,0,0|1,0,1]=4 11638 B15R0.247 C=CC(=O)OCCSCCCCCC(C)C 62a_100000210682_100009813456 [0,2,0,0,0,0|1,0,1]=4 11639 B15R0.247 C=CC(=O)OCCSCCCCCC(C)C 62a_100009813456_100000210682 [0,2,0,0,0,0|1,0,1]=4 11640 B15R0.247 CC(=O)NCCCCCCNCC(O)CO 2230a_200011996284_100011219619 [0,2,0,0,0,0|2,0,0]=4 11641 B15R0.247 CC(=O)NCCCCCCNCC(O)CO 34a_200011996284_100011219619 [0,2,0,0,0,0|2,0,0]=4 11642 B15R0.247 CC(=O)NCCCCCCNC[C@@H](C)CO 2230a_200011996284_100000059175 [0,2,0,0,0,0|2,0,0]=4 11643 B15R0.247 CC(=O)NCCCCCCNC[C@@H](C)CO 34a_200011996284_100000059175 [0,2,0,0,0,0|2,0,0]=4 11644 B15R0.247 CC(=O)NCCCCCCNC[C@@H](O)CF 2230a_200011996284_100015614560 [0,2,0,0,0,0|2,0,0]=4 11645 B15R0.247 CC(=O)NCCCCCCNC[C@@H](O)CF 34a_200011996284_100015614560 [0,2,0,0,0,0|2,0,0]=4 11646 B15R0.247 CC(=O)NCCCCCCNC[C@@H](O)CO 2230a_200011996284_100009815848 [0,2,0,0,0,0|2,0,0]=4 11647 B15R0.247 CC(=O)NCCCCCCNC[C@@H](O)CO 34a_200011996284_100009815848 [0,2,0,0,0,0|2,0,0]=4 11648 B15R0.247 CC(=O)OCCCCCNCCC(C)CO 2230a_106354213184_100009813381 [0,2,0,0,0,0|1,0,0]=3 11649 B15R0.247 CC(=O)OCCCCCNCCC(C)CO 34a_106354213184_100000033007 [0,2,0,0,0,0|1,0,0]=3 11650 B15R0.247 CC(=O)OCCCCOCCC[C@@H](C)CN 34a_100160569302_100000033659 [0,2,0,0,0,0|1,0,0]=3 11651 B15R0.247 CC(=O)OCCOCCNCCC(C)CO 2230a_106354213184_200000083610 [0,2,0,0,0,0|2,0,0]=4 11652 B15R0.247 CC(=O)OCCOCCNCCC(C)CO 34a_106354213184_200000083610 [0,2,0,0,0,0|2,0,0]=4 11653 B15R0.247 CC(=O)OCCOCOCCC[C@@H](C)CN 34a_100160569302_100000076355 [0,2,0,0,0,0|2,0,0]=4 11654 B15R0.247 CC(=O)SCCCCOCCC[C@@H](C)CN 34a_100160569302_200010402107 [0,2,0,0,0,0|1,1,0]=4 11655 B15R0.247 CCC(=O)COCCCCCCCC(C)C 7a_200000210741_100000747405 [0,2,0,0,0,0|2,0,0]=4 11656 B15R0.247 CCC(=O)NCCNCCCCCC(C)C 34a_100132302217_100000210682 [0,2,0,0,0,0|2,0,0]=4 11657 B15R0.247 CCC(=O)NCCNCCCCOC(=O)C 34a_100132302217_100000033659 [0,2,0,0,0,0|1,0,1]=4 11658 B15R0.247 CCC(=O)NCCOCCCCCC(C)C 34a_200000158885_100000210682 [0,2,0,0,0,0|2,0,0]=4 11659 B15R0.247 CCC(=O)NCCOCCCCCC(C)C 7a_200000158885_100000210682 [0,2,0,0,0,0|2,0,0]=4 11660 B15R0.247 CCC(=O)NCCOCCCCOC(=O)C 34a_200000158885_100000033659 [0,2,0,0,0,0|1,0,1]=4 11661 B15R0.247 CCC(=O)NCCOCCCCOC(=O)C 7a_200000158885_100000033659 [0,2,0,0,0,0|1,0,1]=4 11662 B15R0.247 CCC(=O)OCCOCCCCCC(C)C 7a_200000031056_100000210682 [0,2,0,0,0,0|1,0,0]=3 11663 B15R0.247 CCC(=O)OCCOCCCCOC(=O)C 7a_200000031056_100000033659 [0,2,0,0,0,0|1,0,1]=4 11664 B15R0.247 CCC(C)CCCCCOCCC=C(C)C 7a_200000035636_100011217483 [0,2,0,0,0,0|2,0,0]=4 11665 B15R0.247 CCC(C)CCCCCOCCCC(=O)C 7a_200000035636_100011215641 [0,2,0,0,0,0|1,0,0]=3 11666 B15R0.247 CCC(C)CCCCCOCCCC(=O)N 7a_200000035636_100102525003 [0,2,0,0,0,0|2,0,0]=4 11667 B15R0.247 CCC(C)CCCCCOCCNC(=O)C 7a_200000035636_100000189650 [0,2,0,0,0,0|1,0,0]=3 11668 B15R0.247 CCC(C)CCCCCOCCNC(=O)N 7a_200000035636_200000034859 [0,2,0,0,0,0|2,0,0]=4 11669 B15R0.247 CCC(C)CCCCCOCCOC(=O)C 7a_200000035636_100009814007 [0,2,0,0,0,0|0,0,0]=2 11670 B15R0.247 CCC(C)CCCCCOCCOC(=O)N 7a_200000035636_200011214921 [0,2,0,0,0,0|1,0,0]=3 11671 B15R0.247 CCC(C)CCCCCOCCOC(C)C 7a_200000035636_100000211751 [0,2,0,0,0,0|1,0,1]=4 11672 B15R0.247 CCC(C)CCCOCCCCCC(=O)N 7a_100011216074_100009817443 [0,2,0,0,0,0|2,0,0]=4 11673 B15R0.247 CCC(C)CCCOCCCCOC(=O)C 7a_100011216074_100000033659 [0,2,0,0,0,0|0,0,0]=2 11674 B15R0.247 CCC(C)CCCOCCCCO[N+](=O)[O-] 7a_100011216074_100015694321 [0,2,0,0,0,0|2,0,0]=4 11675 B15R0.247 CCC(C)CCCOCCCCSC(=O)C 7a_100011216074_200010402107 [0,2,0,0,0,0|0,1,0]=3 11676 B15R0.247 CCC(C)CCNCCCCCOC(=O)C 2230a_100020591266_100009813381 [0,2,0,0,0,0|0,0,0]=2 11677 B15R0.247 CCC(C)CCNCCOCCOC(=O)C 2230a_100020591266_200000083610 [0,2,0,0,0,0|1,0,0]=3 11678 B15R0.247 CCC(C)CCOCCCCCOC(=O)C 7a_100011215188_100000033007 [0,2,0,0,0,0|0,0,0]=2 11679 B15R0.247 CCC(C)CCOCCOCCOC(=O)C 7a_100011215188_200000083610 [0,2,0,0,0,0|1,0,0]=3 11680 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 2230a_200011996284_100000748023 [0,2,0,0,0,0|1,0,0]=3 11681 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 270004a_200011996284_100000243153 [0,2,0,0,0,0|1,0,0]=3 11682 B15R0.247 CCC(C)CNCCCCCCNC(=O)C 34a_200011996284_100000748023 [0,2,0,0,0,0|1,0,0]=3 11683 B15R0.247 CCC(C)CNCCCCCCSC(=O)C 270004a_100000704104_100000243153 [0,2,0,0,0,0|0,1,0]=3 11684 B15R0.247 CCC(O)CNCCCCCCNC(=O)C 2230a_200011996284_100011218378 [0,2,0,0,0,0|1,0,0]=3 11685 B15R0.247 CCC(O)CNCCCCCCNC(=O)C 34a_200011996284_100011218378 [0,2,0,0,0,0|1,0,0]=3 11686 B15R0.247 CCN(C)CCCNCCCCNC(=O)C 2230a_200011368371_100015186262 [0,2,0,0,0,0|2,0,0]=4 11687 B15R0.247 CCN(C)CCCOCCCCOC(=O)C 7a_100000073216_100015186262 [0,2,0,0,0,0|1,0,0]=3 11688 B15R0.247 CCN(C)CCCSCCCCOC(=O)C 62a_100000033659_100015186262 [0,2,0,0,0,0|1,0,0]=3 11689 B15R0.247 CCN(C)CCCSCCCCSC(=O)C 62a_200010402107_100015186262 [0,2,0,0,0,0|1,1,0]=4 11690 B15R0.247 CCN(C)CCCSCOCCOC(=O)C 62a_100000076355_100015186262 [0,2,0,0,0,0|2,0,0]=4 11691 B15R0.247 CC[C@H](C)CNCCCCCCNC(=O)C 2230a_200011996284_100009816398 [0,2,0,0,0,0|1,0,0]=3 11692 B15R0.247 CC[C@H](C)CNCCCCCCNC(=O)C 34a_200011996284_100009816398 [0,2,0,0,0,0|1,0,0]=3 11693 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 2230a_100000740002_100000210682 [0,2,0,0,0,0|2,0,0]=4 11694 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 2230a_100011290863_100000741757 [0,2,0,0,0,0|2,0,0]=4 11695 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 34a_100000740002_100000210682 [0,2,0,0,0,0|2,0,0]=4 11696 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000741757 [0,2,0,0,0,0|2,0,0]=4 11697 B15R0.247 CNC(=O)CCCNCCCCOC(=O)C 34a_100000740002_100000033659 [0,2,0,0,0,0|1,0,1]=4 11698 B15R0.247 CNC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000741757 [0,2,0,0,0,0|2,0,0]=4 11699 B15R0.247 CNC(=O)CCCOCCCCCC(C)C 7a_100011995859_100000741757 [0,2,0,0,0,0|2,0,0]=4 11700 B15R0.247 CNC(=O)CCCOCCCCOC(=O)C 34a_100000073216_100000741757 [0,2,0,0,0,0|1,0,1]=4 11701 B15R0.247 CNC(=O)CCCOCCCCOC(=O)C 7a_100000073216_100000741757 [0,2,0,0,0,0|1,0,1]=4 11702 B15R0.247 CNC(=O)CCCSCCCCCC(C)C 62a_100000210682_100000741757 [0,2,0,0,0,0|2,0,0]=4 11703 B15R0.247 CNC(=O)CCCSCCCCCC(C)C 62a_100000741757_100000210682 [0,2,0,0,0,0|2,0,0]=4 11704 B15R0.247 CNC(=O)CCCSCCCCOC(=O)C 62a_100000033659_100000741757 [0,2,0,0,0,0|1,0,1]=4 11705 B15R0.247 CNC(=O)CCCSCCCCOC(=O)C 62a_100000741757_100000033659 [0,2,0,0,0,0|1,0,1]=4 11706 B15R0.247 CNC(=O)CCNCCCCCCC(C)C 2230a_100000211014_100000737683 [0,2,0,0,0,0|2,0,0]=4 11707 B15R0.247 CNC(=O)CCNCCCCCCC(C)C 34a_100000211014_100012179268 [0,2,0,0,0,0|2,0,0]=4 11708 B15R0.247 CNC(=O)CCNCCCCCOC(=O)C 2230a_100000738227_100009813381 [0,2,0,0,0,0|1,0,1]=4 11709 B15R0.247 CNC(=O)CCNCCCCCOC(=O)C 34a_100000738227_100000033007 [0,2,0,0,0,0|1,0,1]=4 11710 B15R0.247 CNC(=O)CCOCCCCCOC(=O)C 34a_100000754576_100000033007 [0,2,0,0,0,0|1,0,1]=4 11711 B15R0.247 CNC(=O)CCSCCCCCOC(=O)C 62a_100000033007_100000737683 [0,2,0,0,0,0|1,0,1]=4 11712 B15R0.247 CNC(=O)CCSCCCCCOC(=O)C 62a_100000737683_100000033007 [0,2,0,0,0,0|1,0,1]=4 11713 B15R0.247 CNC(=O)COCCCCCCCC(C)C 34a_200000210741_100000183359 [0,2,0,0,0,0|2,0,0]=4 11714 B15R0.247 CNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000183359 [0,2,0,0,0,0|2,0,0]=4 11715 B15R0.247 CNC(=O)NCCNCCCCCC(C)C 34a_100015205895_100000210682 [0,2,0,0,0,0|2,0,0]=4 11716 B15R0.247 CNC(=O)OCCNCCCCCC(C)C 34a_100011290863_200011997002 [0,2,0,0,0,0|1,0,0]=3 11717 B15R0.247 CNC(=O)OCCNCCCOCC(C)C 34a_100000205972_200011997002 [0,2,0,0,0,0|2,0,0]=4 11718 B15R0.247 CNC(=O)OCCOCCCCCC(C)C 34a_100011995859_200011997002 [0,2,0,0,0,0|1,0,0]=3 11719 B15R0.247 CNC(=O)OCCOCCCCCC(C)C 7a_100011995859_200011997002 [0,2,0,0,0,0|1,0,0]=3 11720 B15R0.247 CNC(=O)OCCOCCCCNC(C)C 34a_100011521146_200011997002 [0,2,0,0,0,0|2,0,0]=4 11721 B15R0.247 CNC(=O)OCCSCCCCCC(C)C 62a_100000210682_200011997002 [0,2,0,0,0,0|1,0,0]=3 11722 B15R0.247 CNC(=O)OCCSCCCCCC(C)C 62a_200011997002_100000210682 [0,2,0,0,0,0|1,0,0]=3 11723 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100000070787_100009813843 [0,2,0,0,0,0|1,0,1]=4 11724 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100009997464_200000210301 [0,2,0,0,0,0|1,0,1]=4 11725 B15R0.247 COC(=O)CCCCCCCCCC(=O)[13CH3] 1458a_100009997464_200025704644 [0,2,0,0,0,0|1,0,1]=4 11726 B15R0.247 COC(=O)CCCCCCCCCN(C)C 2230a_100102631434_100009813843 [0,2,0,0,0,0|2,0,0]=4 11727 B15R0.247 COC(=O)CCCCCCCCCN(C)C 269982a_100102631434_100009813843 [0,2,0,0,0,0|2,0,0]=4 11728 B15R0.247 COC(=O)CCCCCCCCNC(C)C 2230a_100138425928_100010282707 [0,2,0,0,0,0|2,0,0]=4 11729 B15R0.247 COC(=O)CCCCCCCCNC(C)C 34a_100138425928_100010282707 [0,2,0,0,0,0|2,0,0]=4 11730 B15R0.247 COC(=O)CCCCCCCCOC(C)C 34a_100000035544_100000210206 [0,2,0,0,0,0|2,0,0]=4 11731 B15R0.247 COC(=O)CCCCCCCCOC(C)C 34a_100000212225_100010282707 [0,2,0,0,0,0|2,0,0]=4 11732 B15R0.247 COC(=O)CCCCCCCCOC(C)C 7a_100000035544_100000210206 [0,2,0,0,0,0|2,0,0]=4 11733 B15R0.247 COC(=O)CCCCCCCCSC(C)C 62a_100000210206_100010282707 [0,2,0,0,0,0|2,0,0]=4 11734 B15R0.247 COC(=O)CCCCCCCCSC(C)C 62a_100010282707_100000210206 [0,2,0,0,0,0|2,0,0]=4 11735 B15R0.247 COC(=O)CCCCCCCNCC(C)C 2230a_100000210953_100010004213 [0,2,0,0,0,0|2,0,0]=4 11736 B15R0.247 COC(=O)CCCCCCCNCC(C)C 34a_100000210953_100010004213 [0,2,0,0,0,0|2,0,0]=4 11737 B15R0.247 COC(=O)CCCCCCCNCC(C)O 2230a_100000210904_100010004213 [0,2,0,0,0,0|2,0,0]=4 11738 B15R0.247 COC(=O)CCCCCCCNCC(C)O 34a_100000210904_100010004213 [0,2,0,0,0,0|2,0,0]=4 11739 B15R0.247 COC(=O)CCCCCCCOCC(=O)C 34a_100000211253_100010004213 [0,2,0,0,0,0|1,0,1]=4 11740 B15R0.247 COC(=O)CCCCCCCOCC(C)Br 34a_100012180447_100010004213 [0,2,0,0,0,0|2,0,0]=4 11741 B15R0.247 COC(=O)CCCCCCCOCC(C)C 34a_100000210257_100010004213 [0,2,0,0,0,0|2,0,0]=4 11742 B15R0.247 COC(=O)CCCCCCCOCC(C)C 34a_100011022521_100000210624 [0,2,0,0,0,0|2,0,0]=4 11743 B15R0.247 COC(=O)CCCCCCCOCC(C)C 7a_100011022521_100000210760 [0,2,0,0,0,0|2,0,0]=4 11744 B15R0.247 COC(=O)CCCCCCCOCC(C)F 34a_100015925927_100010004213 [0,2,0,0,0,0|2,0,0]=4 11745 B15R0.247 COC(=O)CCCCCCCOCC(C)O 34a_100011022521_100011218427 [0,2,0,0,0,0|2,0,0]=4 11746 B15R0.247 COC(=O)CCCCCCCOCC(C)O 7a_100011022521_100011218427 [0,2,0,0,0,0|2,0,0]=4 11747 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100010004213 [0,2,0,0,0,0|2,0,0]=4 11748 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)N 34a_100000737577_100010004213 [0,2,0,0,0,0|2,0,0]=4 11749 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)O 34a_100011022521_100009817552 [0,2,0,0,0,0|2,0,0]=4 11750 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)O 7a_100011022521_100009817552 [0,2,0,0,0,0|2,0,0]=4 11751 B15R0.247 COC(=O)CCCCCCCSCC(C)C 62a_100000210624_100010004213 [0,2,0,0,0,0|2,0,0]=4 11752 B15R0.247 COC(=O)CCCCCCCSCC(C)C 62a_100010004213_100000210760 [0,2,0,0,0,0|2,0,0]=4 11753 B15R0.247 COC(=O)CCCCCCCSCC(C)O 62a_100010004213_100011218427 [0,2,0,0,0,0|2,0,0]=4 11754 B15R0.247 COC(=O)CCCCCCCSCC(C)O 62a_100011218427_100010004213 [0,2,0,0,0,0|2,0,0]=4 11755 B15R0.247 COC(=O)CCCCCCCSC[C@@H](C)O 62a_100009817552_100010004213 [0,2,0,0,0,0|2,0,0]=4 11756 B15R0.247 COC(=O)CCCCCCCSC[C@@H](C)O 62a_100010004213_100009817552 [0,2,0,0,0,0|2,0,0]=4 11757 B15R0.247 COC(=O)CCCCCCNCCC(C)O 2230a_200000755665_100009815986 [0,2,0,0,0,0|2,0,0]=4 11758 B15R0.247 COC(=O)CCCCCCOCCC(C)Br 34a_100009893172_100009815986 [0,2,0,0,0,0|2,0,0]=4 11759 B15R0.247 COC(=O)CCCCCCOCCC(C)C 34a_100000210254_100009815986 [0,2,0,0,0,0|2,0,0]=4 11760 B15R0.247 COC(=O)CCCCCCOCCC(C)C 34a_100009863599_100000210312 [0,2,0,0,0,0|2,0,0]=4 11761 B15R0.247 COC(=O)CCCCCCOCCC(C)C 7a_100000210254_100009815986 [0,2,0,0,0,0|2,0,0]=4 11762 B15R0.247 COC(=O)CCCCCCOCCC(C)C 7a_100009863599_100000210626 [0,2,0,0,0,0|2,0,0]=4 11763 B15R0.247 COC(=O)CCCCCCOCCC(C)O 34a_100009863599_100012276601 [0,2,0,0,0,0|2,0,0]=4 11764 B15R0.247 COC(=O)CCCCCCOCCC(C)O 7a_100009863599_100012276601 [0,2,0,0,0,0|2,0,0]=4 11765 B15R0.247 COC(=O)CCCCCCOCC[C@@H](C)N 34a_100000706166_100009815986 [0,2,0,0,0,0|2,0,0]=4 11766 B15R0.247 COC(=O)CCCCCCOCOC(=O)C 34a_100009863599_100009813279 [0,2,0,0,0,0|1,0,1]=4 11767 B15R0.247 COC(=O)CCCCCCSCCC(C)C 62a_100000210312_100009815986 [0,2,0,0,0,0|2,0,0]=4 11768 B15R0.247 COC(=O)CCCCCCSCCC(C)C 62a_100009815986_100000210312 [0,2,0,0,0,0|2,0,0]=4 11769 B15R0.247 COC(=O)CCCCCCSCCC(C)O 62a_100009815986_100012276601 [0,2,0,0,0,0|2,0,0]=4 11770 B15R0.247 COC(=O)CCCCCCSCCC(C)O 62a_100012276601_100009815986 [0,2,0,0,0,0|2,0,0]=4 11771 B15R0.247 COC(=O)CCCCCCSCOC(=O)C 62a_100000076356_100009815986 [0,2,0,0,0,0|1,0,1]=4 11772 B15R0.247 COC(=O)CCCCCCSCOC(=O)C 62a_100009815986_100000076356 [0,2,0,0,0,0|1,0,1]=4 11773 B15R0.247 COC(=O)CCCCCNCCCC(C)C 2230a_200000737386_100009816466 [0,2,0,0,0,0|2,0,0]=4 11774 B15R0.247 COC(=O)CCCCCNCCCC(C)C 34a_200000737386_100009816466 [0,2,0,0,0,0|2,0,0]=4 11775 B15R0.247 COC(=O)CCCCCOCCCC(C)C 34a_100000074720_100011214892 [0,2,0,0,0,0|2,0,0]=4 11776 B15R0.247 COC(=O)CCCCCOCCCC(C)C 34a_100000210774_100009816466 [0,2,0,0,0,0|2,0,0]=4 11777 B15R0.247 COC(=O)CCCCCOCCCC(C)C 7a_100000074720_100011214892 [0,2,0,0,0,0|2,0,0]=4 11778 B15R0.247 COC(=O)CCCCCOCCCC(C)C 7a_100000210774_100009816466 [0,2,0,0,0,0|2,0,0]=4 11779 B15R0.247 COC(=O)CCCCCOCCCC(C)O 34a_100000074720_200000718107 [0,2,0,0,0,0|2,0,0]=4 11780 B15R0.247 COC(=O)CCCCCOCCCC(C)O 7a_100000074720_200000718107 [0,2,0,0,0,0|2,0,0]=4 11781 B15R0.247 COC(=O)CCCCCOCCOC(=O)C 34a_100000074720_100009814007 [0,2,0,0,0,0|1,0,1]=4 11782 B15R0.247 COC(=O)CCCCCOCCOC(=O)C 7a_100000074720_100009814007 [0,2,0,0,0,0|1,0,1]=4 11783 B15R0.247 COC(=O)CCCCCSCCCC(C)C 62a_100009816466_100011214892 [0,2,0,0,0,0|2,0,0]=4 11784 B15R0.247 COC(=O)CCCCCSCCCC(C)C 62a_100011214892_100009816466 [0,2,0,0,0,0|2,0,0]=4 11785 B15R0.247 COC(=O)CCCCCSCCCC(C)O 62a_100009816466_200000718107 [0,2,0,0,0,0|2,0,0]=4 11786 B15R0.247 COC(=O)CCCCCSCCCC(C)O 62a_200000718107_100009816466 [0,2,0,0,0,0|2,0,0]=4 11787 B15R0.247 COC(=O)CCCCCSCCOC(=O)C 62a_100009814007_100009816466 [0,2,0,0,0,0|1,0,1]=4 11788 B15R0.247 COC(=O)CCCCCSCCOC(=O)C 62a_100009816466_100009814007 [0,2,0,0,0,0|1,0,1]=4 11789 B15R0.247 COC(=O)CCCCOCCCCC(C)C 34a_100000059025_100011216152 [0,2,0,0,0,0|2,0,0]=4 11790 B15R0.247 COC(=O)CCCCOCCCCC(C)C 34a_100011214890_100000204269 [0,2,0,0,0,0|2,0,0]=4 11791 B15R0.247 COC(=O)CCCCOCCCCC(C)C 7a_100000059025_100011216152 [0,2,0,0,0,0|2,0,0]=4 11792 B15R0.247 COC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000204269 [0,2,0,0,0,0|2,0,0]=4 11793 B15R0.247 COC(=O)CCCCOCCCOC(=O)C 34a_100000059025_100000042594 [0,2,0,0,0,0|1,0,1]=4 11794 B15R0.247 COC(=O)CCCCOCCCOC(=O)C 7a_100000059025_100000042594 [0,2,0,0,0,0|1,0,1]=4 11795 B15R0.247 COC(=O)CCCCSCCCCC(C)C 62a_100000204269_100011216152 [0,2,0,0,0,0|2,0,0]=4 11796 B15R0.247 COC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000204269 [0,2,0,0,0,0|2,0,0]=4 11797 B15R0.247 COC(=O)CCCCSCCCOC(=O)C 62a_100000042594_100000204269 [0,2,0,0,0,0|1,0,1]=4 11798 B15R0.247 COC(=O)CCCCSCCCOC(=O)C 62a_100000204269_100000042594 [0,2,0,0,0,0|1,0,1]=4 11799 B15R0.247 COC(=O)CCCNCCCCCC(C)C 2230a_100011290863_100011218270 [0,2,0,0,0,0|2,0,0]=4 11800 B15R0.247 COC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000742333 [0,2,0,0,0,0|2,0,0]=4 11801 B15R0.247 COC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000742333 [0,2,0,0,0,0|2,0,0]=4 11802 B15R0.247 COC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011218270 [0,2,0,0,0,0|2,0,0]=4 11803 B15R0.247 COC(=O)CCCOCCCCOC(=O)C 34a_100000073216_100000742333 [0,2,0,0,0,0|1,0,1]=4 11804 B15R0.247 COC(=O)CCCOCCCCOC(=O)C 7a_100000073216_100011218270 [0,2,0,0,0,0|1,0,1]=4 11805 B15R0.247 COC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011218270 [0,2,0,0,0,0|2,0,0]=4 11806 B15R0.247 COC(=O)CCCSCCCCCC(C)C 62a_100011218270_100000210682 [0,2,0,0,0,0|2,0,0]=4 11807 B15R0.247 COC(=O)CCCSCCCCOC(=O)C 62a_100000033659_100011218270 [0,2,0,0,0,0|1,0,1]=4 11808 B15R0.247 COC(=O)CCCSCCCCOC(=O)C 62a_100011218270_100000033659 [0,2,0,0,0,0|1,0,1]=4 11809 B15R0.247 COC(=O)CCNCCCCCCC(C)C 2230a_100000211014_100000204255 [0,2,0,0,0,0|2,0,0]=4 11810 B15R0.247 COC(=O)CCNCCCCCCC(C)C 34a_100000211014_100000742370 [0,2,0,0,0,0|2,0,0]=4 11811 B15R0.247 COC(=O)CCSCCCCCOC(=O)C 62a_100000033007_100000204255 [0,2,0,0,0,0|1,0,1]=4 11812 B15R0.247 COC(=O)CCSCCCCCOC(=O)C 62a_100000204255_100000033007 [0,2,0,0,0,0|1,0,1]=4 11813 B15R0.247 COC(=O)COCCCCCCCC(C)C 34a_200000210741_100000747449 [0,2,0,0,0,0|2,0,0]=4 11814 B15R0.247 COC(=O)COCCCCCCCC(C)C 7a_200000210741_100000747449 [0,2,0,0,0,0|2,0,0]=4 11815 B15R0.247 COC(=O)NCCOCCCCCC(C)C 34a_100000757965_100000210682 [0,2,0,0,0,0|2,0,0]=4 11816 B15R0.247 COC(=O)OCCOCCCCCC(C)C 34a_100010262106_100000210682 [0,2,0,0,0,0|1,0,0]=3 11817 B15R0.247 COC(C)CCOCCCCCOC(=O)C 7a_100000764861_100000033007 [0,2,0,0,0,0|1,0,0]=3 11818 B15R0.247 COC(C)CCOCCOCCOC(=O)C 7a_100000764861_200000083610 [0,2,0,0,0,0|2,0,0]=4 11819 B15R0.2662 CC(=O)CCCCCCCCCC(F)(F)F 1458a_100000070787_200041927475 [0,2,0,0,0,0|2,0,0]=4 11820 B15R0.2662 CC(=O)CCCOCCCCCC(C)(C)O 34a_100000759063_100010402123 [0,2,0,0,0,0|2,0,0]=4 11821 B15R0.2662 CC(=O)CCCOCCCCCC(C)(C)O 7a_100000759063_100010402123 [0,2,0,0,0,0|2,0,0]=4 11822 B15R0.2662 CC(=O)CCCSCCCCCC(C)(C)O 62a_100010402123_100011215641 [0,2,0,0,0,0|2,0,0]=4 11823 B15R0.2662 CC(=O)CCCSCCCCCC(C)(C)O 62a_100011215641_100010402123 [0,2,0,0,0,0|2,0,0]=4 11824 B15R0.2662 CC(=O)NCCCCCCNCC(C)(C)C 270004a_200011996284_100011204126 [0,2,0,0,0,0|2,0,0]=4 11825 B15R0.2662 CC(=O)NCCCCCCNCC(C)(C)C 34a_200011996284_100011219605 [0,2,0,0,0,0|2,0,0]=4 11826 B15R0.2662 CC(=O)NCCCCCCNCC(C)(C)F 34a_200011996284_100011997219 [0,2,0,0,0,0|2,0,0]=4 11827 B15R0.2662 CC(=O)NCCCCCCNCC(C)(C)O 34a_200011996284_100000764493 [0,2,0,0,0,0|2,0,0]=4 11828 B15R0.2662 CC(=O)NCCCCCNCCC(C)(C)C 2230a_200012022750_100000755188 [0,2,0,0,0,0|2,0,0]=4 11829 B15R0.2662 CC(=O)NCCCCCNCCC(C)(C)C 34a_200012022750_100000755188 [0,2,0,0,0,0|2,0,0]=4 11830 B15R0.2662 CC(=O)NCCCCCNCCC(C)(C)O 2230a_200012022750_100000702414 [0,2,0,0,0,0|2,0,0]=4 11831 B15R0.2662 CC(=O)NCCCCCNCCC(C)(C)O 34a_200012022750_100000702414 [0,2,0,0,0,0|2,0,0]=4 11832 B15R0.2662 CC(=O)NCCCCNCCCC(C)(C)O 2230a_200011368371_100009888830 [0,2,0,0,0,0|2,0,0]=4 11833 B15R0.2662 CC(=O)NCCCCNCCCC(C)(C)O 34a_200011368371_100009888830 [0,2,0,0,0,0|2,0,0]=4 11834 B15R0.2662 CC(=O)NCCNCCCCCC(C)(C)O 2230a_100000209853_100010402123 [0,2,0,0,0,0|2,0,0]=4 11835 B15R0.2662 CC(=O)NCCOCCCCCC(C)(C)O 34a_100000158858_100010402123 [0,2,0,0,0,0|2,0,0]=4 11836 B15R0.2662 CC(=O)NCCSCCCCCC(C)(C)O 62a_100000189650_100010402123 [0,2,0,0,0,0|2,0,0]=4 11837 B15R0.2662 CC(=O)NCCSCCCCCC(C)(C)O 62a_100010402123_100000189650 [0,2,0,0,0,0|2,0,0]=4 11838 B15R0.2662 CC(=O)OCCCCCNCCC(C)(C)C 2230a_100000738805_100009813381 [0,2,0,0,0,0|1,0,0]=3 11839 B15R0.2662 CC(=O)OCCCCCNCCC(C)(C)F 2230a_100016253952_100009813381 [0,2,0,0,0,0|1,0,0]=3 11840 B15R0.2662 CC(=O)OCCCCCNCCC(F)(F)F 2230a_100000740434_100009813381 [0,2,0,0,0,0|2,0,0]=4 11841 B15R0.2662 CC(=O)OCCCCCNCCC(F)(F)F 34a_100000740434_100000033007 [0,2,0,0,0,0|2,0,0]=4 11842 B15R0.2662 CC(=O)OCCCCCNCCS(=O)(=O)C 2230a_100000740961_100009813381 [0,2,0,0,0,0|2,0,0]=4 11843 B15R0.2662 CC(=O)OCCCCCNCCS(=O)(=O)C 34a_100000740961_100000033007 [0,2,0,0,0,0|2,0,0]=4 11844 B15R0.2662 CC(=O)OCCCCCOCCC(C)(C)C 7a_100000765024_100000033007 [0,2,0,0,0,0|1,0,0]=3 11845 B15R0.2662 CC(=O)OCCCCCOCCC(F)(F)F 34a_100000752437_100000033007 [0,2,0,0,0,0|2,0,0]=4 11846 B15R0.2662 CC(=O)OCCCCCOCCS(=O)(=O)C 34a_100000211924_100000033007 [0,2,0,0,0,0|2,0,0]=4 11847 B15R0.2662 CC(=O)OCCCCCOCCS(=O)(=O)C 7a_100000211924_100000033007 [0,2,0,0,0,0|2,0,0]=4 11848 B15R0.2662 CC(=O)OCCCCCOCC[N+](C)(C)C 7a_200020618287_100000033007 [0,2,0,0,0,0|2,0,0]=4 11849 B15R0.2662 CC(=O)OCCCCCOCC[Si](C)(C)C 7a_100000039746_100000033007 [0,2,0,0,0,0|1,1,0]=4 11850 B15R0.2662 CC(=O)OCCCCCSCCC(C)(C)C 62a_100000033007_100000755188 [0,2,0,0,0,0|1,0,0]=3 11851 B15R0.2662 CC(=O)OCCCCCSCCC(C)(C)C 62a_100000755188_100000033007 [0,2,0,0,0,0|1,0,0]=3 11852 B15R0.2662 CC(=O)OCCCCCSCCC(C)(C)O 62a_100000033007_100000702414 [0,2,0,0,0,0|1,0,0]=3 11853 B15R0.2662 CC(=O)OCCCCCSCCC(C)(C)O 62a_100000702414_100000033007 [0,2,0,0,0,0|1,0,0]=3 11854 B15R0.2662 CC(=O)OCCCCCSCCC(F)(F)F 62a_100000033007_100011219754 [0,2,0,0,0,0|2,0,0]=4 11855 B15R0.2662 CC(=O)OCCCCCSCCC(F)(F)F 62a_100011219754_100000033007 [0,2,0,0,0,0|2,0,0]=4 11856 B15R0.2662 CC(=O)OCCCCCSCCS(=O)(=O)C 62a_100000033007_100000230027 [0,2,0,0,0,0|2,0,0]=4 11857 B15R0.2662 CC(=O)OCCCCCSCCS(=O)(=O)C 62a_100000731031_100000033007 [0,2,0,0,0,0|2,0,0]=4 11858 B15R0.2662 CC(=O)OCCCCCSCC[N+](C)(C)C 62a_100000033007_100000085578 [0,2,0,0,0,0|2,0,0]=4 11859 B15R0.2662 CC(=O)OCCCCCSCC[N+](C)(C)C 62a_100000085578_100000033007 [0,2,0,0,0,0|2,0,0]=4 11860 B15R0.2662 CC(=O)OCCCCCSCC[Si](C)(C)C 62a_100000033007_200000733723 [0,2,0,0,0,0|1,1,0]=4 11861 B15R0.2662 CC(=O)OCCCCCSCC[Si](C)(C)C 62a_200000733723_100000033007 [0,2,0,0,0,0|1,1,0]=4 11862 B15R0.2662 CC(=O)OCCCCNCCCC(F)(F)F 34a_100000727188_100000033659 [0,2,0,0,0,0|2,0,0]=4 11863 B15R0.2662 CC(=O)OCCCCNCCCS(=O)(=O)C 34a_100000742409_100000033659 [0,2,0,0,0,0|2,0,0]=4 11864 B15R0.2662 CC(=O)OCCCCOCCCC(C)(C)O 34a_100000073216_100009888830 [0,2,0,0,0,0|1,0,0]=3 11865 B15R0.2662 CC(=O)OCCCCOCCCC(C)(C)O 7a_100000073216_100009888830 [0,2,0,0,0,0|1,0,0]=3 11866 B15R0.2662 CC(=O)OCCCCOCCCC(F)(F)F 34a_100000073216_100011215983 [0,2,0,0,0,0|2,0,0]=4 11867 B15R0.2662 CC(=O)OCCCCOCCCC(F)(F)F 34a_100000749235_100000033659 [0,2,0,0,0,0|2,0,0]=4 11868 B15R0.2662 CC(=O)OCCCCOCCCC(F)(F)F 7a_100000073216_100011216173 [0,2,0,0,0,0|2,0,0]=4 11869 B15R0.2662 CC(=O)OCCCCOCCCS(=O)(=O)C 34a_100000073216_100000754308 [0,2,0,0,0,0|2,0,0]=4 11870 B15R0.2662 CC(=O)OCCCCOCCCS(=O)(=O)C 34a_100000689940_100000033659 [0,2,0,0,0,0|2,0,0]=4 11871 B15R0.2662 CC(=O)OCCCCOCCCS(=O)(=O)C 7a_100000073216_100000754308 [0,2,0,0,0,0|2,0,0]=4 11872 B15R0.2662 CC(=O)OCCCCOCCCS(=O)(=O)C 7a_100000689940_100000033659 [0,2,0,0,0,0|2,0,0]=4 11873 B15R0.2662 CC(=O)OCCCCOCCC[N+](C)(C)C 34a_100000073216_100016990835 [0,2,0,0,0,0|2,0,0]=4 11874 B15R0.2662 CC(=O)OCCCCOCCC[N+](C)(C)C 7a_100000073216_100016990835 [0,2,0,0,0,0|2,0,0]=4 11875 B15R0.2662 CC(=O)OCCCCOCCC[Si](C)(C)C 34a_100000073216_100011219597 [0,2,0,0,0,0|1,1,0]=4 11876 B15R0.2662 CC(=O)OCCCCOCCC[Si](C)(C)C 7a_100000073216_100011219597 [0,2,0,0,0,0|1,1,0]=4 11877 B15R0.2662 CC(=O)OCCCCOCCC[Si](C)(C)C 7a_200011215415_100000033659 [0,2,0,0,0,0|1,1,0]=4 11878 B15R0.2662 CC(=O)OCCCCOCCOC(C)(C)C 34a_100000693234_100000033659 [0,2,0,0,0,0|2,0,0]=4 11879 B15R0.2662 CC(=O)OCCCCOCCOC(C)(C)C 7a_100000693234_100000033659 [0,2,0,0,0,0|2,0,0]=4 11880 B15R0.2662 CC(=O)OCCCCSCCCC(C)(C)O 62a_100000033659_100009888830 [0,2,0,0,0,0|1,0,0]=3 11881 B15R0.2662 CC(=O)OCCCCSCCCC(C)(C)O 62a_100009888830_100000033659 [0,2,0,0,0,0|1,0,0]=3 11882 B15R0.2662 CC(=O)OCCCCSCCCC(F)(F)F 62a_100000033659_100011216173 [0,2,0,0,0,0|2,0,0]=4 11883 B15R0.2662 CC(=O)OCCCCSCCCC(F)(F)F 62a_100011216173_100000033659 [0,2,0,0,0,0|2,0,0]=4 11884 B15R0.2662 CC(=O)OCCCCSCCCS(=O)(=O)C 62a_100000033659_100000754308 [0,2,0,0,0,0|2,0,0]=4 11885 B15R0.2662 CC(=O)OCCCCSCCCS(=O)(=O)C 62a_100000754308_100000033659 [0,2,0,0,0,0|2,0,0]=4 11886 B15R0.2662 CC(=O)OCCCCSCCC[N+](C)(C)C 62a_100000033659_100016990835 [0,2,0,0,0,0|2,0,0]=4 11887 B15R0.2662 CC(=O)OCCCCSCCC[N+](C)(C)C 62a_100016990835_100000033659 [0,2,0,0,0,0|2,0,0]=4 11888 B15R0.2662 CC(=O)OCCCCSCCC[Si](C)(C)C 62a_100000033659_100011219597 [0,2,0,0,0,0|1,1,0]=4 11889 B15R0.2662 CC(=O)OCCCCSCCC[Si](C)(C)C 62a_100011219597_100000033659 [0,2,0,0,0,0|1,1,0]=4 11890 B15R0.2662 CC(=O)OCCCOCCCCC(F)(F)F 34a_100000749236_100000042594 [0,2,0,0,0,0|2,0,0]=4 11891 B15R0.2662 CC(=O)OCCCOCCCCC(F)(F)F 7a_100000749236_100000042594 [0,2,0,0,0,0|2,0,0]=4 11892 B15R0.2662 CC(=O)OCCCOCCCC[Si](C)(C)C 7a_200009881916_100000042594 [0,2,0,0,0,0|1,1,0]=4 11893 B15R0.2662 CC(=O)OCCCSCCCCC(F)(F)F 62a_100000042594_100000692467 [0,2,0,0,0,0|2,0,0]=4 11894 B15R0.2662 CC(=O)OCCCSCCCCC(F)(F)F 62a_100000692467_100000042594 [0,2,0,0,0,0|2,0,0]=4 11895 B15R0.2662 CC(=O)OCCOCCNCCC(C)(C)C 2230a_100000738805_200000083610 [0,2,0,0,0,0|2,0,0]=4 11896 B15R0.2662 CC(=O)OCCOCCNCCC(C)(C)F 2230a_100016253952_200000083610 [0,2,0,0,0,0|2,0,0]=4 11897 B15R0.2662 CC(=O)OCCOCCOCCC(C)(C)C 7a_100000765024_200000083610 [0,2,0,0,0,0|2,0,0]=4 11898 B15R0.2662 CC(=O)OCCOCCSCCC(C)(C)C 62a_100000755188_200000083610 [0,2,0,0,0,0|2,0,0]=4 11899 B15R0.2662 CC(=O)OCCOCCSCCC(C)(C)C 62a_200000083610_100000755188 [0,2,0,0,0,0|2,0,0]=4 11900 B15R0.2662 CC(=O)OCCOCCSCCC(C)(C)O 62a_100000702414_200000083610 [0,2,0,0,0,0|2,0,0]=4 11901 B15R0.2662 CC(=O)OCCOCCSCCC(C)(C)O 62a_200000083610_100000702414 [0,2,0,0,0,0|2,0,0]=4 11902 B15R0.2662 CC(=O)OCCOCSCCCC(C)(C)O 62a_100000076355_100009888830 [0,2,0,0,0,0|2,0,0]=4 11903 B15R0.2662 CC(=O)OCCOCSCCCC(C)(C)O 62a_100009888830_100000076355 [0,2,0,0,0,0|2,0,0]=4 11904 B15R0.2662 CC(=O)OCCSCCCCCC(C)(C)O 62a_100009814007_100010402123 [0,2,0,0,0,0|1,0,0]=3 11905 B15R0.2662 CC(=O)OCCSCCCCCC(C)(C)O 62a_100010402123_100009814007 [0,2,0,0,0,0|1,0,0]=3 11906 B15R0.2662 CC(=O)OCCSCCCCCC(F)(F)F 62a_100009814007_100010187589 [0,2,0,0,0,0|2,0,0]=4 11907 B15R0.2662 CC(=O)OCCSCCCCCC(F)(F)F 62a_100010187589_100009814007 [0,2,0,0,0,0|2,0,0]=4 11908 B15R0.2662 CC(=O)OCCSCCCCC[N+](C)(C)C 62a_100009813293_100009814007 [0,2,0,0,0,0|2,0,0]=4 11909 B15R0.2662 CC(=O)OCCSCCCCC[N+](C)(C)C 62a_100009814007_100009813293 [0,2,0,0,0,0|2,0,0]=4 11910 B15R0.2662 CC(=O)OCSCCCCCC[N+](C)(C)C 62a_100000076356_100009996864 [0,2,0,0,0,0|2,0,0]=4 11911 B15R0.2662 CC(=O)OCSCCCCCC[N+](C)(C)C 62a_100009996864_100000076356 [0,2,0,0,0,0|2,0,0]=4 11912 B15R0.2662 CC(=O)SCCCCCCNCC(C)(C)C 270004a_100000704104_100011204126 [0,2,0,0,0,0|1,1,0]=4 11913 B15R0.2662 CC(=O)SCCCCSCCCC(C)(C)O 62a_100009888830_200010402107 [0,2,0,0,0,0|1,1,0]=4 11914 B15R0.2662 CC(=O)SCCCCSCCCC(C)(C)O 62a_200010402107_100009888830 [0,2,0,0,0,0|1,1,0]=4 11915 B15R0.2662 CC(C)(O)CCCCCOCCOC(=O)N 7a_100000766696_100010402123 [0,2,0,0,0,0|2,0,0]=4 11916 B15R0.2662 CC(C)(O)CCCCCSCCOC(=O)N 62a_100010402123_200011214921 [0,2,0,0,0,0|2,0,0]=4 11917 B15R0.2662 CC(C)(O)CCCCCSCCOC(=O)N 62a_200011214921_100010402123 [0,2,0,0,0,0|2,0,0]=4 11918 B15R0.2662 CC(C)CCCCCNCCOS(=O)(=O)C 2230a_100011290863_200000036756 [0,2,0,0,0,0|2,0,0]=4 11919 B15R0.2662 CC(C)CCCCCNCCOS(=O)(=O)C 34a_100011290863_200000036756 [0,2,0,0,0,0|2,0,0]=4 11920 B15R0.2662 CC(C)CCCCCOCCOS(=O)(=O)C 34a_100011995859_200000036756 [0,2,0,0,0,0|2,0,0]=4 11921 B15R0.2662 CC(C)CCCCCOCCOS(=O)(=O)C 7a_100011995859_200000036756 [0,2,0,0,0,0|2,0,0]=4 11922 B15R0.2662 CC(C)CCCCCSCCOS(=O)(=O)C 62a_100000210682_200000036756 [0,2,0,0,0,0|2,0,0]=4 11923 B15R0.2662 CC(C)CCCCCSCCOS(=O)(=O)C 62a_200000036756_100000210682 [0,2,0,0,0,0|2,0,0]=4 11924 B15R0.2702 CC(=O)C(=O)CNCCCCCCC(C)C 34a_100000211014_100011261029 [0,2,0,0,0,0|2,0,0]=4 11925 B15R0.2702 CC(=O)C(C)OCCCCCCCC(C)C 7a_200000210741_100000179758 [0,2,0,0,0,0|2,0,0]=4 11926 B15R0.2702 CC(=O)OCCCCCNCC(O)C(C)C 2230a_100000759067_100009813381 [0,2,0,0,0,0|1,0,0]=3 11927 B15R0.2702 CC(=O)OCCCCCNCC(O)C(C)C 34a_100000759067_100000033007 [0,2,0,0,0,0|1,0,0]=3 11928 B15R0.2702 CC(=O)OCCCCCOCC(C)C(=O)C 34a_100000032740_100000033007 [0,2,0,0,0,0|1,0,1]=4 11929 B15R0.2702 CC(=O)OCCCCCOCC(C)C(=O)C 7a_100000032740_100000033007 [0,2,0,0,0,0|1,0,1]=4 11930 B15R0.2702 CC(=O)OCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000033007 [0,2,0,0,0,0|1,0,0]=3 11931 B15R0.2702 CC(=O)OCCCCCSCC(=O)C(C)C 62a_100000033007_100000753385 [0,2,0,0,0,0|1,0,1]=4 11932 B15R0.2702 CC(=O)OCCCCCSCC(=O)C(C)C 62a_100000753385_100000033007 [0,2,0,0,0,0|1,0,1]=4 11933 B15R0.2702 CC(=O)OCCCCOCCC(N)C(C)C 34a_100161115045_100000033659 [0,2,0,0,0,0|1,0,0]=3 11934 B15R0.2702 CC(=O)OCCOCCNCC(O)C(C)C 2230a_100000759067_200000083610 [0,2,0,0,0,0|2,0,0]=4 11935 B15R0.2702 CC(=O)OCCOCCNCC(O)C(C)C 34a_100000759067_200000083610 [0,2,0,0,0,0|2,0,0]=4 11936 B15R0.2702 CC(=O)OCCOCCOC[C@H](N)C(C)C 34a_100011830312_200000083610 [0,2,0,0,0,0|2,0,0]=4 11937 B15R0.2702 CC(=O)OCCOCOCCC(N)C(C)C 34a_100161115045_100000076355 [0,2,0,0,0,0|2,0,0]=4 11938 B15R0.2702 CC(=O)SCCCCOCCC(N)C(C)C 34a_100161115045_200010402107 [0,2,0,0,0,0|1,1,0]=4 11939 B15R0.2704 C=C(C)CCC(=O)CCCCCOC(=O)C 1458a_200000688413_100000033007 [0,2,0,0,0,0|0,0,2]=4 11940 B15R0.2704 CC(=O)CCCCSCC(O)COC(=O)C 62a_100000735457_200000139349 [0,2,0,0,0,0|1,0,1]=4 11941 B15R0.2704 CC(=O)CCCCSCC(O)COC(=O)C 62a_200000139349_100000735457 [0,2,0,0,0,0|1,0,1]=4 11942 B15R0.2704 CC(=O)NCCCCCC(=O)CCC(C)C 1458a_100000183861_100000210312 [0,2,0,0,0,0|1,0,1]=4 11943 B15R0.2704 CC(=O)NCCCCCC(=O)CCC(C)O 1458a_100000183861_100012276601 [0,2,0,0,0,0|1,0,1]=4 11944 B15R0.2704 CC(=O)NCCCCNC(C)CCC(C)C 2230a_200011368371_100011261404 [0,2,0,0,0,0|2,0,0]=4 11945 B15R0.2704 CC(=O)NCCCCNC(C)CCC(C)C 270004a_200011368371_100000210476 [0,2,0,0,0,0|2,0,0]=4 11946 B15R0.2704 CC(=O)NCCCCNC(C)CCC(C)C 34a_200011368371_100011261404 [0,2,0,0,0,0|2,0,0]=4 11947 B15R0.2704 CC(=O)OCC(=O)COCCCCC(C)C 34a_100011214890_100000036994 [0,2,0,0,0,0|1,0,1]=4 11948 B15R0.2704 CC(=O)OCC(=O)CSCCCCC(C)C 62a_100000036994_100011216152 [0,2,0,0,0,0|1,0,1]=4 11949 B15R0.2704 CC(=O)OCC(=O)CSCCCCC(C)C 62a_100011216152_100000036994 [0,2,0,0,0,0|1,0,1]=4 11950 B15R0.2704 CC(=O)OCC(=O)NCCCCCC(C)C 1626a_100011290863_100000183556 [0,2,0,0,0,0|1,0,1]=4 11951 B15R0.2704 CC(=O)OCC(=O)NCCCCCC(C)C 240690a_100011290863_100000183556 [0,2,0,0,0,0|1,0,1]=4 11952 B15R0.2704 CC(=O)OCC(=O)NCCCCCC(C)C 527a_100011290863_100000183556 [0,2,0,0,0,0|1,0,1]=4 11953 B15R0.2704 CC(=O)OCC(C)NCCCCCC(C)C 270004a_100011290863_100000000629 [0,2,0,0,0,0|1,0,0]=3 11954 B15R0.2704 CC(=O)OCC(C)NCCCOCC(C)C 270004a_100000205972_100000000629 [0,2,0,0,0,0|2,0,0]=4 11955 B15R0.2704 CC(=O)OCC(O)CNCCCOC(C)C 34a_100000737246_200000139349 [0,2,0,0,0,0|2,0,0]=4 11956 B15R0.2704 CC(=O)OCC(O)COCCCCC(C)C 34a_100011214890_200000139349 [0,2,0,0,0,0|1,0,0]=3 11957 B15R0.2704 CC(=O)OCC(O)COCCCCC(C)C 7a_100011214890_200000139349 [0,2,0,0,0,0|1,0,0]=3 11958 B15R0.2704 CC(=O)OCC(O)COCCCNC(C)C 34a_100000182298_200000139349 [0,2,0,0,0,0|2,0,0]=4 11959 B15R0.2704 CC(=O)OCC(O)COCCNCC(C)C 34a_100015185251_200000139349 [0,2,0,0,0,0|2,0,0]=4 11960 B15R0.2704 CC(=O)OCC(O)COCCOCC(C)C 34a_100000703358_200000139349 [0,2,0,0,0,0|2,0,0]=4 11961 B15R0.2704 CC(=O)OCC(O)COCCOCC(C)C 7a_100000703358_200000139349 [0,2,0,0,0,0|2,0,0]=4 11962 B15R0.2704 CC(=O)OCC(O)COCCSCC(C)C 34a_200000230437_200000139349 [0,2,0,0,0,0|2,0,0]=4 11963 B15R0.2704 CC(=O)OCC(O)COCCSCC(C)C 7a_200000230437_200000139349 [0,2,0,0,0,0|2,0,0]=4 11964 B15R0.2704 CC(=O)OCC(O)CSCCCCC(C)C 62a_100011216152_200000139349 [0,2,0,0,0,0|1,0,0]=3 11965 B15R0.2704 CC(=O)OCC(O)CSCCCCC(C)C 62a_200000139349_100011216152 [0,2,0,0,0,0|1,0,0]=3 11966 B15R0.2704 CC(=O)OCC(O)CSCCCCN(C)C 62a_200000139349_100000690147 [0,2,0,0,0,0|2,0,0]=4 11967 B15R0.2704 CC(=O)OCCCCCC(=O)CCC(C)C 1458a_100000181311_100000033007 [0,2,0,0,0,0|0,0,1]=3 11968 B15R0.2704 CC(=O)OCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000033007 [0,2,0,0,0,0|1,0,1]=4 11969 B15R0.2704 CC(=O)OCCCCCC(=O)COC(C)C 1458a_100000745533_100000033007 [0,2,0,0,0,0|1,0,1]=4 11970 B15R0.2704 CC(=O)OCCCCCC(=O)CSC(C)C 1458a_100000241585_100000033007 [0,2,0,0,0,0|1,0,1]=4 11971 B15R0.2704 CC(=O)OCCCCCN(C)CCC(C)C 2230a_100000742789_100009813381 [0,2,0,0,0,0|1,0,0]=3 11972 B15R0.2704 CC(=O)OCCCCCN(C)CCC(C)C 269982a_100000742789_100000033007 [0,2,0,0,0,0|1,0,0]=3 11973 B15R0.2704 CC(=O)OCCCCCN(C)CCN(C)C 269982a_100000225618_100000033007 [0,2,0,0,0,0|2,0,0]=4 11974 B15R0.2704 CC(=O)OCCCCOC(C)CCC(C)C 34a_100000073216_100011261404 [0,2,0,0,0,0|1,0,0]=3 11975 B15R0.2704 CC(=O)OCCCCOC(C)CCC(C)C 34a_100011215350_100000033659 [0,2,0,0,0,0|1,0,0]=3 11976 B15R0.2704 CC(=O)OCCCCOC(C)CCC(C)C 7a_100011215350_100000033659 [0,2,0,0,0,0|1,0,0]=3 11977 B15R0.2704 CC(=O)OCCCCSC(C)CCC(C)C 62a_100000033659_100011261404 [0,2,0,0,0,0|1,0,0]=3 11978 B15R0.2704 CC(=O)OCCCCSC(C)CCC(C)C 62a_100011261404_100000033659 [0,2,0,0,0,0|1,0,0]=3 11979 B15R0.2704 CC(=O)OCCOCCC(=O)CCC(C)C 1458a_100000181311_200000083610 [0,2,0,0,0,0|1,0,1]=4 11980 B15R0.2704 CC(=O)OCCOCCN(C)CCC(C)C 2230a_100000742789_200000083610 [0,2,0,0,0,0|2,0,0]=4 11981 B15R0.2704 CC(=O)OCCOCCN(C)CCC(C)C 269982a_100000742789_200000083610 [0,2,0,0,0,0|2,0,0]=4 11982 B15R0.2704 CC(=O)OCCOCOC(C)CCC(C)C 34a_100011215350_100000076355 [0,2,0,0,0,0|2,0,0]=4 11983 B15R0.2704 CC(=O)OCCOCSC(C)CCC(C)C 62a_100000076355_100011261404 [0,2,0,0,0,0|2,0,0]=4 11984 B15R0.2704 CC(=O)OCCOCSC(C)CCC(C)C 62a_100011261404_100000076355 [0,2,0,0,0,0|2,0,0]=4 11985 B15R0.2704 CC(=O)SCC(C)COCCCCC(C)C 34a_100011214890_200000116872 [0,2,0,0,0,0|1,1,0]=4 11986 B15R0.2704 CC(=O)SCC(C)COCCCCC(C)C 7a_100011214890_200000116872 [0,2,0,0,0,0|1,1,0]=4 11987 B15R0.2704 CC(=O)SCC(C)CSCCCCC(C)C 62a_100011216152_200000116872 [0,2,0,0,0,0|1,1,0]=4 11988 B15R0.2704 CC(=O)SCC(C)CSCCCCC(C)C 62a_200000116872_100011216152 [0,2,0,0,0,0|1,1,0]=4 11989 B15R0.2704 CC(=O)SCCCCNC(C)CCC(C)C 2230a_100138410893_200010402107 [0,2,0,0,0,0|1,1,0]=4 11990 B15R0.2704 CC(=O)SCCCCOC(C)CCC(C)C 34a_100011215350_200010402107 [0,2,0,0,0,0|1,1,0]=4 11991 B15R0.2704 CC(=O)SCCCCOC(C)CCC(C)C 7a_100011215350_200010402107 [0,2,0,0,0,0|1,1,0]=4 11992 B15R0.2704 CC(=O)SCCCCSC(C)CCC(C)C 62a_100011261404_200010402107 [0,2,0,0,0,0|1,1,0]=4 11993 B15R0.2704 CC(=O)SCCCCSC(C)CCC(C)C 62a_200010402107_100011261404 [0,2,0,0,0,0|1,1,0]=4 11994 B15R0.5184 CC(=O)CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000735457 [0,2,0,0,0,0|1,0,1]=4 11995 B15R0.5184 CC(=O)NCCCC(=O)CCCCC(C)C 1458a_100000194741_100011216152 [0,2,0,0,0,0|1,0,1]=4 11996 B15R0.5184 CC(=O)OCCCC(=O)CCCCC(C)C 1458a_100011933920_100000042594 [0,2,0,0,0,0|0,0,1]=3 11997 B15R0.5184 CC(=O)OCCNC(=O)CCCCC(C)C 11a_100000724843_100011933920 [0,2,0,0,0,0|1,0,1]=4 11998 B15R0.5184 CC(=O)OCCNC(=O)CCCCC(C)C 240690a_100000724843_100011933920 [0,2,0,0,0,0|1,0,1]=4 11999 B15R0.5184 CC(=O)OCCNC(=O)CCCCC(C)C 527a_100000724843_100011933920 [0,2,0,0,0,0|1,0,1]=4 12000 B15R0.5184 CC(=O)SCCCC(=O)CCCCC(C)C 1458a_100011933920_100000038929 [0,2,0,0,0,0|0,1,1]=4 12001 B15R0.5184 CC(=S)OCCCC(=O)CCCCC(C)C 1458a_100011933920_200135323944 [0,2,0,0,0,0|0,1,1]=4 12002 B15R0.167 CCCCCCCCCCN(C)S(=O)(=O)C 40a_100000207566_100000738038 [0,2,0,0,0,0|2,0,0]=4 12003 B15R0.252 CC(C)(C)OCCCCCCCCCCBr 34a_100009813290_100000210625 [0,2,0,0,0,0|1,0,1]=4 12004 B15R0.252 CC(C)(C)OCCCCCCCCCCCl 34a_200000033068_100000210625 [0,2,0,0,0,0|1,0,1]=4 12005 B15R0.252 CC(C)(C)OCCCCCCCCCCN 34a_100000066964_100000210625 [0,2,0,0,0,0|1,0,1]=4 12006 B15R0.252 CC(C)(C)OCCCCCCCCCCO 34a_100015890283_100009813290 [0,2,0,0,0,0|1,0,1]=4 12007 B15R0.252 CC(C)(C)OCCCCCCCCCCO 7a_100015890283_100009813290 [0,2,0,0,0,0|1,0,1]=4 12008 B15R0.252 CCCCCCCCCCCNS(=O)(=O)C 40a_200011215754_100000738038 [0,2,0,0,0,0|2,0,0]=4 12009 B15R0.252 CCCCCCCCCCCOC(C)(C)C 34a_100000210809_100000210625 [0,2,0,0,0,0|1,0,1]=4 12010 B15R0.252 CCCCCCCCCCCOC(C)(C)C 34a_100015890283_100011215454 [0,2,0,0,0,0|1,0,1]=4 12011 B15R0.252 CCCCCCCCCCCOC(C)(C)C 7a_100015890283_100011215454 [0,2,0,0,0,0|1,0,1]=4 12012 B15R0.252 CCCCCCCCCCOCC(C)(C)C 34a_100000210711_100011219605 [0,2,0,0,0,0|1,0,1]=4 12013 B15R0.252 CCCCCCCCCCOCC(C)(C)F 34a_100000210711_100011997219 [0,2,0,0,0,0|1,0,1]=4 12014 B15R0.252 CCCCCCCCCCOCC(C)(C)F 34a_100000716592_100000210320 [0,2,0,0,0,0|1,0,1]=4 12015 B15R0.252 CCCCCCCCCCOCC(C)(C)O 34a_100000210711_100000764493 [0,2,0,0,0,0|0,0,2]=4 12016 B15R0.252 CCCCCCCCCCOCC(C)(C)O 7a_100000210711_100000764493 [0,2,0,0,0,0|0,0,2]=4 12017 B15R0.252 CCCCCCCCCCOCC(C)(F)F 34a_100000068830_100000210320 [0,2,0,0,0,0|1,0,1]=4 12018 B15R0.252 CCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210711_100009817235 [0,2,0,0,0,0|2,0,0]=4 12019 B15R0.252 CCCCCCCCCCOC[Si](C)(C)C 7a_100000210711_100000233785 [0,2,0,0,0,0|1,1,0]=4 12020 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 2230a_100000212291_100000731031 [0,2,0,0,0,0|2,0,0]=4 12021 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100011214924 [0,2,0,0,0,0|2,0,0]=4 12022 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 34a_100000212291_100000731031 [0,2,0,0,0,0|2,0,0]=4 12023 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100011214924 [0,2,0,0,0,0|2,0,0]=4 12024 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 34a_100000210712_100000731031 [0,2,0,0,0,0|2,0,0]=4 12025 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100011214924 [0,2,0,0,0,0|2,0,0]=4 12026 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 7a_100000210712_100000230027 [0,2,0,0,0,0|2,0,0]=4 12027 B15R0.252 CCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210328 [0,2,0,0,0,0|2,0,0]=4 12028 B15R0.252 CCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210670 [0,2,0,0,0,0|2,0,0]=4 12029 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 2230a_100000229939_100000754308 [0,2,0,0,0,0|2,0,0]=4 12030 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210759 [0,2,0,0,0,0|2,0,0]=4 12031 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 34a_100000229939_100000754308 [0,2,0,0,0,0|2,0,0]=4 12032 B15R0.252 CCCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210759 [0,2,0,0,0,0|2,0,0]=4 12033 B15R0.252 CCCCCCCCNCCNS(=O)(=O)C 2230a_100000229939_100000754112 [0,2,0,0,0,0|2,0,0]=4 12034 B15R0.252 CCCCCCCCNCCNS(=O)(=O)C 34a_100000752411_100000210759 [0,2,0,0,0,0|2,0,0]=4 12035 B15R0.252 CCCCCCCCNCCOC(C)(C)C 2230a_100000747557_100000210759 [0,2,0,0,0,0|1,0,1]=4 12036 B15R0.252 CCCCCCCCNCCOS(=O)(=O)C 2230a_100000229939_200000036756 [0,2,0,0,0,0|1,0,0]=3 12037 B15R0.252 CCCCCCCCNCCOS(=O)(=O)C 34a_100000229939_200000036756 [0,2,0,0,0,0|1,0,0]=3 12038 B15R0.252 CCCCCCCCNCCO[Si](C)(C)C 2230a_100000229939_200000032530 [0,2,0,0,0,0|1,1,0]=4 12039 B15R0.252 CCCCCCCCNCCO[Si](C)(C)C 34a_100000229939_200000032530 [0,2,0,0,0,0|1,1,0]=4 12040 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 34a_100000210232_100000754308 [0,2,0,0,0,0|2,0,0]=4 12041 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210759 [0,2,0,0,0,0|2,0,0]=4 12042 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 7a_100000210232_100000754308 [0,2,0,0,0,0|2,0,0]=4 12043 B15R0.252 CCCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210759 [0,2,0,0,0,0|2,0,0]=4 12044 B15R0.252 CCCCCCCCOCCNS(=O)(=O)C 7a_100000210232_100000754112 [0,2,0,0,0,0|2,0,0]=4 12045 B15R0.252 CCCCCCCCOCCOC(C)(C)C 34a_100000693234_100000210759 [0,2,0,0,0,0|1,0,1]=4 12046 B15R0.252 CCCCCCCCOCCOC(C)(C)C 7a_100000693234_100000210759 [0,2,0,0,0,0|1,0,1]=4 12047 B15R0.252 CCCCCCCCOCCOS(=O)(=O)C 34a_100000210232_200000036756 [0,2,0,0,0,0|1,0,0]=3 12048 B15R0.252 CCCCCCCCOCCOS(=O)(=O)C 7a_100000210232_200000036756 [0,2,0,0,0,0|1,0,0]=3 12049 B15R0.252 CCCCCCCCOCCO[Si](C)(C)C 34a_100000210232_200000032530 [0,2,0,0,0,0|1,1,0]=4 12050 B15R0.252 CCCCCCCCOCCO[Si](C)(C)C 7a_100000210232_200000032530 [0,2,0,0,0,0|1,1,0]=4 12051 B15R0.252 CCCCCCCCSCCCS(=O)(=O)C 62a_100000210759_100000754308 [0,2,0,0,0,0|2,0,0]=4 12052 B15R0.252 CCCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210317 [0,2,0,0,0,0|2,0,0]=4 12053 B15R0.252 CCCCCCCCSCCNS(=O)(=O)C 62a_100000210759_100000754112 [0,2,0,0,0,0|2,0,0]=4 12054 B15R0.252 CCCCCCCCSCCNS(=O)(=O)C 62a_100000754112_100000210317 [0,2,0,0,0,0|2,0,0]=4 12055 B15R0.252 CCCCCCCCSCCOS(=O)(=O)C 62a_100000210759_200000036756 [0,2,0,0,0,0|1,0,0]=3 12056 B15R0.252 CCCCCCCCSCCOS(=O)(=O)C 62a_200000036756_100000210317 [0,2,0,0,0,0|1,0,0]=3 12057 B15R0.252 CCCCCCCCSCCO[Si](C)(C)C 62a_100000210759_200000032530 [0,2,0,0,0,0|1,1,0]=4 12058 B15R0.252 CCCCCCCCSCCO[Si](C)(C)C 62a_200000032530_100000210317 [0,2,0,0,0,0|1,1,0]=4 12059 B15R0.252 CCCCCCCNCCCNS(=O)(=O)C 34a_100000736790_100000210614 [0,2,0,0,0,0|2,0,0]=4 12060 B15R0.252 CCCCCCCNCCCOC(C)(C)C 2230a_100011250582_100000210681 [0,2,0,0,0,0|1,0,1]=4 12061 B15R0.252 CCCCCNCCOCCOS(=O)(=O)C 2230a_100000209983_100015571617 [0,2,0,0,0,0|2,0,0]=4 12062 B15R0.252 CCCCCNCCOCCOS(=O)(=O)C 34a_100000224656_200000036756 [0,2,0,0,0,0|2,0,0]=4 12063 B15R0.252 CCCCCOCCOCCOS(=O)(=O)C 34a_100000210253_100015571617 [0,2,0,0,0,0|2,0,0]=4 12064 B15R0.252 CCCCCOCCOCCOS(=O)(=O)C 34a_100011215259_200000036756 [0,2,0,0,0,0|2,0,0]=4 12065 B15R0.252 CCCCCOCCOCCOS(=O)(=O)C 7a_100000210253_100015571617 [0,2,0,0,0,0|2,0,0]=4 12066 B15R0.252 CCCCCOCCOCCOS(=O)(=O)C 7a_100011215259_200000036756 [0,2,0,0,0,0|2,0,0]=4 12067 B15R0.252 CCCCCSCCOCCOS(=O)(=O)C 62a_100000210326_100015571617 [0,2,0,0,0,0|2,0,0]=4 12068 B15R0.252 CCCCCSCCOCCOS(=O)(=O)C 62a_100015571617_100000210326 [0,2,0,0,0,0|2,0,0]=4 12069 B15R0.252 CCCCOCCCNCCOS(=O)(=O)C 2230a_200000211371_200000036756 [0,2,0,0,0,0|2,0,0]=4 12070 B15R0.252 CCCCOCCCNCCOS(=O)(=O)C 34a_200000211371_200000036756 [0,2,0,0,0,0|2,0,0]=4 12071 B15R0.252 CCCCOCCCOCCOS(=O)(=O)C 34a_200011215613_200000036756 [0,2,0,0,0,0|2,0,0]=4 12072 B15R0.252 CCCCOCCCOCCOS(=O)(=O)C 7a_200011215613_200000036756 [0,2,0,0,0,0|2,0,0]=4 12073 B15R0.252 COCCCCCCOCCOS(=O)(=O)C 34a_200012092642_200000036756 [0,2,0,0,0,0|2,0,0]=4 12074 B15R0.252 COCCCCCCOCCOS(=O)(=O)C 7a_200012092642_200000036756 [0,2,0,0,0,0|2,0,0]=4 12075 B15R0.252 COCCCCCCSCCOS(=O)(=O)C 62a_100011998445_200000036756 [0,2,0,0,0,0|2,0,0]=4 12076 B15R0.252 COCCCCCCSCCOS(=O)(=O)C 62a_200000036756_100011998445 [0,2,0,0,0,0|2,0,0]=4 12077 B15R0.252 CS(=O)(=O)NCCCCCCCCCCO 40a_100000066964_100000738038 [0,2,0,0,0,0|2,0,0]=4 12078 B15R0.252 CS(=O)(=O)OCCNCCCCCCCO 2230a_100011996573_200000036756 [0,2,0,0,0,0|2,0,0]=4 12079 B15R0.252 CS(=O)(=O)OCCNCCCCCCCO 34a_100011996573_200000036756 [0,2,0,0,0,0|2,0,0]=4 12080 B15R0.252 CS(=O)(=O)OCCOCCCCCCCBr 34a_100000760002_200000036756 [0,2,0,0,0,0|2,0,0]=4 12081 B15R0.252 CS(=O)(=O)OCCOCCCCCCCBr 7a_100000760002_200000036756 [0,2,0,0,0,0|2,0,0]=4 12082 B15R0.252 CS(=O)(=O)OCCOCCCCCCCN 34a_100011996573_200000036756 [0,2,0,0,0,0|2,0,0]=4 12083 B15R0.252 CS(=O)(=O)OCCSCCCCCCCO 62a_100000760002_200000036756 [0,2,0,0,0,0|2,0,0]=4 12084 B15R0.252 CS(=O)(=O)OCCSCCCCCCCO 62a_200000036756_100000760002 [0,2,0,0,0,0|2,0,0]=4 12085 B15R0.254 C#CC(C)(C)OCCCCCCCCCC 34a_100000189450_100000210320 [0,2,0,0,0,0|1,0,1]=4 12086 B15R0.254 C#CC(C)(C)OCCCCCCCCCC 34a_100000210711_100000038118 [0,2,0,0,0,0|1,0,1]=4 12087 B15R0.254 C#CC(C)(C)OCCCCCCCCCC 7a_100000189450_100000210320 [0,2,0,0,0,0|1,0,1]=4 12088 B15R0.254 C=CC(C)(C)OCCCCCCCCCC 34a_100011215311_100000210320 [0,2,0,0,0,0|1,0,1]=4 12089 B15R0.254 C=CC(C)(C)OCCCCCCCCCC 7a_100011215311_100000210320 [0,2,0,0,0,0|1,0,1]=4 12090 B15R0.254 CCCCCCCCCCNS(=O)(=O)CC 270084a_100000684558_100000211323 [0,2,0,0,0,0|2,0,0]=4 12091 B15R0.254 CCCCCCCCCCNS(=O)(=O)CC 274078a_100000684558_100000211323 [0,2,0,0,0,0|2,0,0]=4 12092 B15R0.254 CCCCCCCCCCNS(=O)(=O)CC 40a_100000684558_100000053943 [0,2,0,0,0,0|2,0,0]=4 12093 B15R0.254 CCCCCCCCCCNS(=O)(=O)CCl 270084a_100000684558_100000031410 [0,2,0,0,0,0|2,0,0]=4 12094 B15R0.254 CCCCCCCCCCNS(=O)(=O)CCl 274078a_100000684558_100000031410 [0,2,0,0,0,0|2,0,0]=4 12095 B15R0.254 CCCCCCCCCCOC(C)(C)C#N 34a_100000210711_100011162410 [0,2,0,0,0,0|1,0,1]=4 12096 B15R0.254 CCCCCCCCCCOC(C)(C)C#N 34a_200015195151_100000210320 [0,2,0,0,0,0|1,0,1]=4 12097 B15R0.254 CCCCCCCCCCOC(C)(C)C#N 7a_100000210711_100011162410 [0,2,0,0,0,0|1,0,1]=4 12098 B15R0.254 CCCCCCCCCCOC(C)(C)CC 7a_100000210230_100000210320 [0,2,0,0,0,0|1,0,1]=4 12099 B15R0.254 CCCCCCCCCCOC(C)(C)CC 7a_100000210711_100000210677 [0,2,0,0,0,0|1,0,1]=4 12100 B15R0.254 CCCCCCCCCCOC(C)(C)CCl 7a_100000764493_100000210320 [0,2,0,0,0,0|1,0,1]=4 12101 B15R0.1737 CCCC(C)CCCOCCOS(=O)(=O)C 34a_100011713154_200000036756 [0,2,0,0,0,0|2,0,0]=4 12102 B15R0.1737 CCCC(C)CCCOCCOS(=O)(=O)C 7a_100011713154_200000036756 [0,2,0,0,0,0|2,0,0]=4 12103 B15R0.2407 CCCCCCCCC(C)COC(C)(C)C 34a_200012125181_100000210625 [0,2,0,0,0,0|1,0,1]=4 12104 B15R0.3232 CCCCCCCCCC(C)OC(C)(C)C 34a_100011218016_100000210625 [0,2,0,0,0,0|1,0,1]=4 12105 B15R0.3309 CCCCCCC(C)NCCOS(=O)(=O)C 2230a_100000210919_200000036756 [0,2,0,0,0,0|2,0,0]=4 12106 B15R0.3309 CCCCCCC(C)NCCOS(=O)(=O)C 34a_100000210919_200000036756 [0,2,0,0,0,0|2,0,0]=4 12107 B15R0.3309 CCCCCCC(C)OCCOS(=O)(=O)C 34a_100000210265_200000036756 [0,2,0,0,0,0|2,0,0]=4 12108 B15R0.3309 CCCCCCC(C)OCCOS(=O)(=O)C 7a_100000210265_200000036756 [0,2,0,0,0,0|2,0,0]=4 12109 B15R0.3309 CCCCCCC(C)SCCOS(=O)(=O)C 62a_100011215978_200000036756 [0,2,0,0,0,0|2,0,0]=4 12110 B15R0.3309 CCCCCCC(C)SCCOS(=O)(=O)C 62a_200000036756_100011215978 [0,2,0,0,0,0|2,0,0]=4 12111 B15R0.50 CCCCC(C)C(=O)CCCCOC(=O)C 1458a_100000725509_100000033659 [0,2,0,0,0,0|0,0,1]=3 12112 B15R0.50 CCCCC(C)C(=O)CCCCSC(=O)C 1458a_100000725509_200010402107 [0,2,0,0,0,0|0,1,1]=4 12113 B15R0.50 CCCCC(O)C(=O)CCCCOC(=O)C 1458a_100000720857_100000033659 [0,2,0,0,0,0|0,0,1]=3 12114 B15R0.50 CCCCC(O)C(=O)CCCCSC(=O)C 1458a_100000720857_200010402107 [0,2,0,0,0,0|0,1,1]=4 12115 B15R0.50 CSCCC(O)C(=O)CCCCOC(=O)C 1458a_100000685904_100000033659 [0,2,0,0,0,0|1,0,1]=4 12116 B15R0.99 CC(=O)OCCCCCN(C)CC(O)CO 2230a_100011216503_100009813381 [0,2,0,0,0,0|2,0,0]=4 12117 B15R0.99 CC(=O)OCCCCCN(C)CC(O)CO 269982a_100011216503_100000033007 [0,2,0,0,0,0|2,0,0]=4 12118 B15R0.99 CCC(C)CC(=O)CCCCCNC(=O)C 1458a_100000183861_100000748023 [0,2,0,0,0,0|1,0,1]=4 12119 B15R0.99 CCC(C)CC(=O)CCCCCOC(=O)C 1458a_100000708755_100000033007 [0,2,0,0,0,0|0,0,1]=3 12120 B15R0.99 CCC(C)CC(=O)CCOCCOC(=O)C 1458a_100000708755_200000083610 [0,2,0,0,0,0|1,0,1]=4 12121 B15R0.99 CCC(C)CC(C)NCCCCNC(=O)C 270004a_200011368371_100011710205 [0,2,0,0,0,0|2,0,0]=4 12122 B15R0.99 CCC(C)CC(C)NCCCCSC(=O)C 2230a_100000763565_200010402107 [0,2,0,0,0,0|1,1,0]=4 12123 B15R0.99 CCC(C)CN(C)CCCCCOC(=O)C 2230a_100000753921_100009813381 [0,2,0,0,0,0|1,0,0]=3 12124 B15R0.99 CCC(C)CN(C)CCCCCOC(=O)C 269982a_100000753921_100000033007 [0,2,0,0,0,0|1,0,0]=3 12125 B15R0.99 CCC(C)CN(C)CCOCCOC(=O)C 2230a_100000753921_200000083610 [0,2,0,0,0,0|2,0,0]=4 12126 B15R0.99 CCC(C)CN(C)CCOCCOC(=O)C 269982a_100000753921_200000083610 [0,2,0,0,0,0|2,0,0]=4 12127 B15R0.99 CCC(O)CC(=O)CCCCCNC(=O)C 1458a_100000183861_100011218378 [0,2,0,0,0,0|1,0,1]=4 12128 B15R0.99 CCC(O)CC(=O)CCCCCOC(=O)C 1458a_100011667805_100000033007 [0,2,0,0,0,0|0,0,1]=3 12129 B15R0.99 CCC(O)CC(=O)CCOCCOC(=O)C 1458a_100011667805_200000083610 [0,2,0,0,0,0|1,0,1]=4 12130 B15R0.99 CCN(C)CC(=O)CCCCCOC(=O)C 1458a_100116209913_100000033007 [0,2,0,0,0,0|1,0,1]=4 12131 B15R0.99 CC[C@H](C)CC(=O)CCCCCNC(=O)C 1458a_100000183861_100009816398 [0,2,0,0,0,0|1,0,1]=4 12132 B15R0.209 CCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210211 [0,2,0,0,0,0|1,0,1]=4 12133 B15R0.209 CCCCC(=O)CCCCCCC(=O)OC 1458a_100000210183_100009815986 [0,2,0,0,0,0|1,0,1]=4 12134 B15R0.209 CCCCC(C)CCCCOCC(=O)CC 7a_200011021034_100000747405 [0,2,0,0,0,0|2,0,0]=4 12135 B15R0.209 CCCCC(C)CCCCOCC(=O)NC 34a_200011021034_100000183359 [0,2,0,0,0,0|2,0,0]=4 12136 B15R0.209 CCCCC(C)CCCCOCC(=O)NC 7a_200011021034_100000183359 [0,2,0,0,0,0|2,0,0]=4 12137 B15R0.209 CCCCC(C)CCCCOCC(=O)OC 34a_200011021034_100000747449 [0,2,0,0,0,0|2,0,0]=4 12138 B15R0.209 CCCCC(C)CCCCOCC(=O)OC 7a_200011021034_100000747449 [0,2,0,0,0,0|2,0,0]=4 12139 B15R0.209 CCCCC(C)COCCCCC(=O)OC 34a_100011995851_100000204269 [0,2,0,0,0,0|2,0,0]=4 12140 B15R0.209 CCCCC(C)COCCCCC(=O)OC 7a_100011995851_100000204269 [0,2,0,0,0,0|2,0,0]=4 12141 B15R0.209 CCCCC(C)NCCCCCC(=O)OC 2230a_100000126638_100009816466 [0,2,0,0,0,0|2,0,0]=4 12142 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 34a_100000074720_200011215066 [0,2,0,0,0,0|2,0,0]=4 12143 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 34a_100000687866_100009816466 [0,2,0,0,0,0|2,0,0]=4 12144 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 7a_100000074720_200011215066 [0,2,0,0,0,0|2,0,0]=4 12145 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 7a_100000687866_100009816466 [0,2,0,0,0,0|2,0,0]=4 12146 B15R0.209 CCCCC(C)SCCCCCC(=O)OC 62a_100009816466_200011215066 [0,2,0,0,0,0|2,0,0]=4 12147 B15R0.209 CCCCC(C)SCCCCCC(=O)OC 62a_200011215066_100009816466 [0,2,0,0,0,0|2,0,0]=4 12148 B15R0.209 CCCCN(C)CCCCCCC(=O)OC 2230a_100000207549_100009815986 [0,2,0,0,0,0|2,0,0]=4 12149 B15R0.209 CCCCN(C)CCCCCCC(=O)OC 269982a_100000207549_100009815986 [0,2,0,0,0,0|2,0,0]=4 12150 B15R0.209 CCCC[C@H](N)COCCCCC(=O)OC 34a_100011934283_100000204269 [0,2,0,0,0,0|2,0,0]=4 12151 B15R0.214 CCCCC(C)CCCCOC(C)C(=O)C 7a_200011021034_100000179758 [0,2,0,0,0,0|2,0,0]=4 12152 B15R0.218 CC(=O)OCC(O)CNC[C@H](C)CCCO 34a_100160569302_200000139349 [0,2,0,0,0,0|2,0,0]=4 12153 B15R0.218 CCCCC(C)COCC(=O)COC(=O)C 34a_100011995851_100000036994 [0,2,0,0,0,0|1,0,1]=4 12154 B15R0.218 CCCCC(C)COCC(C)CSC(=O)C 34a_100011995851_200000116872 [0,2,0,0,0,0|1,1,0]=4 12155 B15R0.218 CCCCC(C)COCC(C)CSC(=O)C 7a_100011995851_200000116872 [0,2,0,0,0,0|1,1,0]=4 12156 B15R0.218 CCCCC(C)COCC(O)COC(=O)C 34a_100011995851_200000139349 [0,2,0,0,0,0|1,0,0]=3 12157 B15R0.218 CCCCC(C)COCC(O)COC(=O)C 7a_100011995851_200000139349 [0,2,0,0,0,0|1,0,0]=3 12158 B15R0.218 CCCCN(C)CCNC(C)COC(=O)C 270004a_200000754967_100000000629 [0,2,0,0,0,0|2,0,0]=4 12159 B15R0.218 CCCC[C@H](N)COCC(=O)COC(=O)C 34a_100011934283_100000036994 [0,2,0,0,0,0|1,0,1]=4 12160 B15R0.218 CCCC[C@H](N)COCC(C)CSC(=O)C 34a_100011934283_200000116872 [0,2,0,0,0,0|1,1,0]=4 12161 B15R0.218 CCCC[C@H](N)COCC(O)COC(=O)C 34a_100011934283_200000139349 [0,2,0,0,0,0|1,0,0]=3 12162 B15R0.218 CCCOC(C)CNCC(O)COC(=O)C 34a_100015185124_200000139349 [0,2,0,0,0,0|2,0,0]=4 12163 B15R0.218 CCOCC(O)CNCC(O)COC(=O)C 34a_102515437182_200000139349 [0,2,0,0,0,0|2,0,0]=4 12164 B15R0.218 CSCC[C@H](N)COCC(O)COC(=O)C 34a_100011827619_200000139349 [0,2,0,0,0,0|2,0,0]=4 12165 B15R0.234 C#CCCCC(=O)CCCCCOC(=O)C 1458a_100000690238_100000033007 [0,2,0,0,0,0|0,0,2]=4 12166 B15R0.234 C=CCCCC(=O)CCCCCOC(=O)C 1458a_100000766728_100000033007 [0,2,0,0,0,0|0,0,2]=4 12167 B15R0.234 CC(=O)CCCCOC[C@@H](N)CCCCN 34a_100016993712_100009817362 [0,2,0,0,0,0|2,0,0]=4 12168 B15R0.234 CC(=O)NCCCCCC(=O)CCCCF 1458a_100000183861_100000729493 [0,2,0,0,0,0|1,0,1]=4 12169 B15R0.234 CC(=O)NCCCCCC(=O)CCCCO 1458a_100000183861_100000210776 [0,2,0,0,0,0|1,0,1]=4 12170 B15R0.234 CC(=O)OCCCCCC(=O)CCCC#N 1458a_100000075515_100000033007 [0,2,0,0,0,0|0,0,2]=4 12171 B15R0.234 CC(=O)OCCCCCC(=O)CCCCO 1458a_100000695505_100000033007 [0,2,0,0,0,0|0,0,1]=3 12172 B15R0.234 CC(=O)OCCCCCC(=O)COCCO 1458a_100000708028_100000033007 [0,2,0,0,0,0|1,0,1]=4 12173 B15R0.234 CC(=O)OCCCCCN(C)CCCCO 2230a_100000717598_100009813381 [0,2,0,0,0,0|1,0,0]=3 12174 B15R0.234 CC(=O)OCCCCCN(C)CCCCO 269982a_100000717598_100000033007 [0,2,0,0,0,0|1,0,0]=3 12175 B15R0.234 CC(=O)OCCCOC[C@@H](N)CCCCN 34a_100016993712_100000042594 [0,2,0,0,0,0|1,0,0]=3 12176 B15R0.234 CC(=O)OCCOCCC(=O)CCCCO 1458a_100000695505_200000083610 [0,2,0,0,0,0|1,0,1]=4 12177 B15R0.234 CC(=O)OCCOCCN(C)CCCCO 2230a_100000717598_200000083610 [0,2,0,0,0,0|2,0,0]=4 12178 B15R0.234 CC(=O)OCCOCCN(C)CCCCO 269982a_100000717598_200000083610 [0,2,0,0,0,0|2,0,0]=4 12179 B15R0.234 CC(=O)SCCCOC[C@@H](N)CCCCN 34a_100016993712_100000038929 [0,2,0,0,0,0|1,1,0]=4 12180 B15R0.234 CC(=S)OCCCOC[C@@H](N)CCCCN 34a_100016993712_200135323944 [0,2,0,0,0,0|1,1,0]=4 12181 B15R0.234 CC/C=C/CC(=O)CCCCCOC(=O)C 1458a_100016274230_100000033007 [0,2,0,0,0,0|0,0,2]=4 12182 B15R0.234 CCC#CCC(C)OCCCCOC(=O)C 34a_200000035118_100000033659 [0,2,0,0,0,0|0,0,2]=4 12183 B15R0.234 CCC#CCC(C)OCCCCOC(=O)C 7a_200000035118_100000033659 [0,2,0,0,0,0|0,0,2]=4 12184 B15R0.234 CCCC#CC(=O)CCCCCOC(=O)C 1458a_200011218047_100000033007 [0,2,0,0,0,0|0,0,2]=4 12185 B15R0.234 CCCC=CC(=O)CCCCCOC(=O)C 1458a_100000212230_100000033007 [0,2,0,0,0,0|0,0,2]=4 12186 B15R0.234 CCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210326 [0,2,0,0,0,0|1,0,0]=3 12187 B15R0.234 CCCCCC(=O)CCCCCOC(=O)C 1458a_100000212188_100000033007 [0,2,0,0,0,0|0,0,0]=2 12188 B15R0.234 CCCCCC(=O)CCOCCOC(=O)C 1458a_100000212188_200000083610 [0,2,0,0,0,0|0,0,1]=3 12189 B15R0.234 CCCCCC(=O)CNCCCNC(=O)C 34a_100000736810_200012276598 [0,2,0,0,0,0|1,0,1]=4 12190 B15R0.234 CCCCCC(=O)COCCCNC(=O)C 34a_100000752032_200012276598 [0,2,0,0,0,0|1,0,1]=4 12191 B15R0.234 CCCCCC(=O)CSCCCCC(=O)C 62a_100000735457_200012276598 [0,2,0,0,0,0|1,0,1]=4 12192 B15R0.234 CCCCCC(=O)CSCCCCC(=O)C 62a_200012276598_100000735457 [0,2,0,0,0,0|1,0,1]=4 12193 B15R0.234 CCCCCC(=O)CSCCCOC(=O)C 62a_100000042594_200012276598 [0,2,0,0,0,0|0,0,1]=3 12194 B15R0.234 CCCCCC(=O)CSCCCOC(=O)C 62a_200012276598_100000042594 [0,2,0,0,0,0|0,0,1]=3 12195 B15R0.234 CCCCCC(=O)CSCCCOC(=S)C 62a_200012276598_200135323944 [0,2,0,0,0,0|0,1,1]=4 12196 B15R0.234 CCCCCC(=O)CSCCCOC(=S)C 62a_200135323944_200012276598 [0,2,0,0,0,0|0,1,1]=4 12197 B15R0.234 CCCCCC(=O)CSCCCSC(=O)C 62a_100000038929_200012276598 [0,2,0,0,0,0|0,1,1]=4 12198 B15R0.234 CCCCCC(=O)CSCCCSC(=O)C 62a_200012276598_100000038929 [0,2,0,0,0,0|0,1,1]=4 12199 B15R0.234 CCCCCC(=O)NCCCCNC(=O)C 11a_200011368371_100000212188 [0,2,0,0,0,0|1,0,1]=4 12200 B15R0.234 CCCCCC(=O)NCCCCNC(=O)C 1626a_200011368371_100000212188 [0,2,0,0,0,0|1,0,1]=4 12201 B15R0.234 CCCCCC(=O)NCCCCNC(=O)C 240690a_200011368371_100000212188 [0,2,0,0,0,0|1,0,1]=4 12202 B15R0.234 CCCCCC(=O)NCCCCNC(=O)C 527a_200011368371_100000212188 [0,2,0,0,0,0|1,0,1]=4 12203 B15R0.234 CCCCCC(C)NCCCCCC(=O)N 2230a_100000211957_100009817443 [0,2,0,0,0,0|2,0,0]=4 12204 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011218191 [0,2,0,0,0,0|1,0,0]=3 12205 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000211708 [0,2,0,0,0,0|1,0,0]=3 12206 B15R0.234 CCCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011218191 [0,2,0,0,0,0|1,0,0]=3 12207 B15R0.234 CCCCCC(C)NCCCCSC(=O)C 2230a_100000211957_200010402107 [0,2,0,0,0,0|0,1,0]=3 12208 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011218191 [0,2,0,0,0,0|2,0,0]=4 12209 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100011215632_100009817443 [0,2,0,0,0,0|2,0,0]=4 12210 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011218191 [0,2,0,0,0,0|2,0,0]=4 12211 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100011215632_100009817443 [0,2,0,0,0,0|2,0,0]=4 12212 B15R0.234 CCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011218191 [0,2,0,0,0,0|2,0,0]=4 12213 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011218191 [0,2,0,0,0,0|0,0,0]=2 12214 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 34a_100011215632_100000033659 [0,2,0,0,0,0|0,0,0]=2 12215 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011218191 [0,2,0,0,0,0|0,0,0]=2 12216 B15R0.234 CCCCCC(C)OCCCCOC(=O)C 7a_100011215632_100000033659 [0,2,0,0,0,0|0,0,0]=2 12217 B15R0.234 CCCCCC(C)OCCCCO[N+](=O)[O-] 34a_100011215632_100015694321 [0,2,0,0,0,0|2,0,0]=4 12218 B15R0.234 CCCCCC(C)OCCCCO[N+](=O)[O-] 7a_100011215632_100015694321 [0,2,0,0,0,0|2,0,0]=4 12219 B15R0.234 CCCCCC(C)OCCCCSC(=O)C 34a_100011215632_200010402107 [0,2,0,0,0,0|0,1,0]=3 12220 B15R0.234 CCCCCC(C)OCCCCSC(=O)C 7a_100011215632_200010402107 [0,2,0,0,0,0|0,1,0]=3 12221 B15R0.234 CCCCCC(C)OCOCCOC(=O)C 34a_100011215632_100000076355 [0,2,0,0,0,0|1,0,0]=3 12222 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011218191 [0,2,0,0,0,0|2,0,0]=4 12223 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_200011218191_100009817443 [0,2,0,0,0,0|2,0,0]=4 12224 B15R0.234 CCCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011218191 [0,2,0,0,0,0|0,0,0]=2 12225 B15R0.234 CCCCCC(C)SCCCCOC(=O)C 62a_200011218191_100000033659 [0,2,0,0,0,0|0,0,0]=2 12226 B15R0.234 CCCCCC(C)SCCCCO[N+](=O)[O-] 62a_200011218191_100015694321 [0,2,0,0,0,0|2,0,0]=4 12227 B15R0.234 CCCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011218191 [0,2,0,0,0,0|0,1,0]=3 12228 B15R0.234 CCCCCC(C)SCCCCSC(=O)C 62a_200011218191_200010402107 [0,2,0,0,0,0|0,1,0]=3 12229 B15R0.234 CCCCCC(C)SCOCCOC(=O)C 62a_100000076355_200011218191 [0,2,0,0,0,0|1,0,0]=3 12230 B15R0.234 CCCCCC(C)SCOCCOC(=O)C 62a_200011218191_100000076355 [0,2,0,0,0,0|1,0,0]=3 12231 B15R0.234 CCCCCN(C)CCCCCOC(=O)C 2230a_100000223495_100009813381 [0,2,0,0,0,0|0,0,0]=2 12232 B15R0.234 CCCCCN(C)CCCCCOC(=O)C 269982a_100000223495_100000033007 [0,2,0,0,0,0|0,0,0]=2 12233 B15R0.234 CCCCCN(C)CCOCCOC(=O)C 2230a_100000223495_200000083610 [0,2,0,0,0,0|1,0,0]=3 12234 B15R0.234 CCCCCN(C)CCOCCOC(=O)C 269982a_100000223495_200000083610 [0,2,0,0,0,0|1,0,0]=3 12235 B15R0.234 CCCCNC(=O)CCCCCNC(=O)C 11a_100000102301_100000183861 [0,2,0,0,0,0|1,0,1]=4 12236 B15R0.234 CCCCNC(=O)CCCCCNC(=O)C 1626a_100000102301_100000183861 [0,2,0,0,0,0|1,0,1]=4 12237 B15R0.234 CCCCNC(=O)CCCCCNC(=O)C 240690a_100000102301_100000183861 [0,2,0,0,0,0|1,0,1]=4 12238 B15R0.234 CCCCNC(=O)CSCCCOC(=O)C 62a_100000042594_100000182744 [0,2,0,0,0,0|1,0,1]=4 12239 B15R0.234 CCCCNC(=O)CSCCCOC(=O)C 62a_100000182744_100000042594 [0,2,0,0,0,0|1,0,1]=4 12240 B15R0.234 CCCCOC(=O)CSCCCOC(=O)C 62a_100000042594_100000211628 [0,2,0,0,0,0|1,0,1]=4 12241 B15R0.234 CCCCOC(=O)CSCCCOC(=O)C 62a_100000211628_100000042594 [0,2,0,0,0,0|1,0,1]=4 12242 B15R0.234 CCCOCC(=O)CCCCCOC(=O)C 1458a_100000745993_100000033007 [0,2,0,0,0,0|0,0,1]=3 12243 B15R0.234 CCCOCC(=O)CCOCCOC(=O)C 1458a_100000745993_200000083610 [0,2,0,0,0,0|1,0,1]=4 12244 B15R0.234 CCCSCC(=O)CCCCCOC(=O)C 1458a_100000217233_100000033007 [0,2,0,0,0,0|0,0,1]=3 12245 B15R0.234 CCCSCC(=O)CCOCCOC(=O)C 1458a_100000217233_200000083610 [0,2,0,0,0,0|1,0,1]=4 12246 B15R0.234 CCCSCC(C)NCCCCNC(=O)C 270004a_200011368371_100011343953 [0,2,0,0,0,0|2,0,0]=4 12247 B15R0.234 CCOCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100011215890 [0,2,0,0,0,0|1,0,1]=4 12248 B15R0.234 CCOCCC(=O)CCCCCOC(=O)C 1458a_100000749530_100000033007 [0,2,0,0,0,0|0,0,1]=3 12249 B15R0.234 CCOCCC(=O)CCOCCOC(=O)C 1458a_100000749530_200000083610 [0,2,0,0,0,0|1,0,1]=4 12250 B15R0.234 CCOCCC(C)NCCCCNC(=O)C 270004a_200011368371_200011216536 [0,2,0,0,0,0|2,0,0]=4 12251 B15R0.234 CCSCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000757381 [0,2,0,0,0,0|1,0,1]=4 12252 B15R0.234 CCSCCC(=O)CCCCCOC(=O)C 1458a_100000230768_100000033007 [0,2,0,0,0,0|0,0,1]=3 12253 B15R0.234 CCSCCC(=O)CCOCCOC(=O)C 1458a_100000230768_200000083610 [0,2,0,0,0,0|1,0,1]=4 12254 B15R0.234 COCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000740836 [0,2,0,0,0,0|1,0,1]=4 12255 B15R0.234 COCCCC(=O)CCCCCOC(=O)C 1458a_100000741012_100000033007 [0,2,0,0,0,0|0,0,1]=3 12256 B15R0.234 COCCCC(=O)CCOCCOC(=O)C 1458a_100000741012_200000083610 [0,2,0,0,0,0|1,0,1]=4 12257 B15R0.234 COCCCC(C)OCCCCOC(=O)C 34a_200011539412_100000033659 [0,2,0,0,0,0|1,0,0]=3 12258 B15R0.234 COCCCC(C)OCCCCOC(=O)C 7a_200011539412_100000033659 [0,2,0,0,0,0|1,0,0]=3 12259 B15R0.234 COCCCC(C)OCCCCSC(=O)C 34a_200011539412_200010402107 [0,2,0,0,0,0|1,1,0]=4 12260 B15R0.234 COCCCC(C)OCCCCSC(=O)C 7a_200011539412_200010402107 [0,2,0,0,0,0|1,1,0]=4 12261 B15R0.234 COCCCC(C)OCOCCOC(=O)C 34a_200011539412_100000076355 [0,2,0,0,0,0|2,0,0]=4 12262 B15R0.234 COCCCN(C)CCCCCOC(=O)C 2230a_100000224831_100009813381 [0,2,0,0,0,0|1,0,0]=3 12263 B15R0.234 COCCCN(C)CCCCCOC(=O)C 269982a_100000224831_100000033007 [0,2,0,0,0,0|1,0,0]=3 12264 B15R0.234 COCCCN(C)CCOCCOC(=O)C 2230a_100000224831_200000083610 [0,2,0,0,0,0|2,0,0]=4 12265 B15R0.234 COCCCN(C)CCOCCOC(=O)C 269982a_100000224831_200000083610 [0,2,0,0,0,0|2,0,0]=4 12266 B15R0.234 CSCCCC(=O)CCCCCOC(=O)C 1458a_100000173376_100000033007 [0,2,0,0,0,0|0,0,1]=3 12267 B15R0.234 CSCCCC(=O)CCOCCOC(=O)C 1458a_100000173376_200000083610 [0,2,0,0,0,0|1,0,1]=4 12268 B15R0.234 CSCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100011399439 [0,2,0,0,0,0|2,0,0]=4 12269 B15R0.310 CC(=O)OCCCCCN(C)C(C)CCO 2230a_100000731037_100009813381 [0,2,0,0,0,0|2,0,0]=4 12270 B15R0.310 CC(=O)OCCCCCN(C)C(C)CCO 269982a_100000731037_100000033007 [0,2,0,0,0,0|2,0,0]=4 12271 B15R0.310 CCCC(C)C(=O)CCCCCNC(=O)C 1458a_100000183861_100000766640 [0,2,0,0,0,0|1,0,1]=4 12272 B15R0.310 CCCC(C)C(=O)CCCCCOC(=O)C 1458a_100000210906_100000033007 [0,2,0,0,0,0|0,0,1]=3 12273 B15R0.310 CCCC(C)C(=O)CCOCCOC(=O)C 1458a_100000210906_200000083610 [0,2,0,0,0,0|1,0,1]=4 12274 B15R0.310 CCCC(C)C(C)NCCCCNC(=O)C 270004a_200011368371_100011216282 [0,2,0,0,0,0|2,0,0]=4 12275 B15R0.310 CCCC(C)C(C)OCCCCOC(=O)C 34a_100000708338_100000033659 [0,2,0,0,0,0|1,0,0]=3 12276 B15R0.310 CCCC(C)C(C)OCCCCOC(=O)C 7a_100000708338_100000033659 [0,2,0,0,0,0|1,0,0]=3 12277 B15R0.310 CCCC(C)C(C)OCCCCSC(=O)C 34a_100000708338_200010402107 [0,2,0,0,0,0|1,1,0]=4 12278 B15R0.310 CCCC(C)C(C)OCCCCSC(=O)C 7a_100000708338_200010402107 [0,2,0,0,0,0|1,1,0]=4 12279 B15R0.310 CCCC(C)C(C)OCOCCOC(=O)C 34a_100000708338_100000076355 [0,2,0,0,0,0|2,0,0]=4 12280 B15R0.310 CCC[C@H](O)C(=O)CCCCCOC(=O)C 1458a_100009822183_100000033007 [0,2,0,0,0,0|0,0,1]=3 12281 B15R0.310 CCC[C@H](O)C(=O)CCOCCOC(=O)C 1458a_100009822183_200000083610 [0,2,0,0,0,0|1,0,1]=4 12282 B15R0.310 CCOC(C)C(=O)CCCCCOC(=O)C 1458a_100000739345_100000033007 [0,2,0,0,0,0|1,0,1]=4 12283 B15R0.310 CCSC(C)C(=O)CCCCCOC(=O)C 1458a_100000230601_100000033007 [0,2,0,0,0,0|1,0,1]=4 12284 B15R0.310 COCC(C)C(=O)CCCCCOC(=O)C 1458a_100000751857_100000033007 [0,2,0,0,0,0|1,0,1]=4 12285 B15R0.310 CSCC(C)C(=O)CCCCCOC(=O)C 1458a_100000753918_100000033007 [0,2,0,0,0,0|1,0,1]=4 12286 B15R0.345 C#CC(CCCC)OCCCCOC(=O)C 34a_200011217967_100000033659 [0,2,0,0,0,0|1,0,0]=3 12287 B15R0.345 C#CC(CCCC)OCCCCOC(=O)C 7a_200011217967_100000033659 [0,2,0,0,0,0|1,0,0]=3 12288 B15R0.345 C#CC(CCCC)OCCCCSC(=O)C 34a_200011217967_200010402107 [0,2,0,0,0,0|1,1,0]=4 12289 B15R0.345 C#CC(CCCC)OCCCCSC(=O)C 7a_200011217967_200010402107 [0,2,0,0,0,0|1,1,0]=4 12290 B15R0.345 C#CC(CCCC)OCOCCOC(=O)C 34a_200011217967_100000076355 [0,2,0,0,0,0|2,0,0]=4 12291 B15R0.345 C=CC(CCCC)OCCCCOC(=O)C 34a_200011215037_100000033659 [0,2,0,0,0,0|1,0,0]=3 12292 B15R0.345 C=CC(CCCC)OCCCCOC(=O)C 7a_200011215037_100000033659 [0,2,0,0,0,0|1,0,0]=3 12293 B15R0.345 C=CC(CCCC)OCCCCSC(=O)C 34a_200011215037_200010402107 [0,2,0,0,0,0|1,1,0]=4 12294 B15R0.345 C=CC(CCCC)OCCCCSC(=O)C 7a_200011215037_200010402107 [0,2,0,0,0,0|1,1,0]=4 12295 B15R0.345 C=CC(CCCC)OCOCCOC(=O)C 34a_200011215037_100000076355 [0,2,0,0,0,0|2,0,0]=4 12296 B15R0.345 CCCCC(CC)CCCCOCC(=O)C 34a_100000211253_200012094884 [0,2,0,0,0,0|2,0,0]=4 12297 B15R0.345 CCCCC(CC)CNCCCNC(=O)C 269862a_100000736810_100011219736 [0,2,0,0,0,0|2,0,0]=4 12298 B15R0.345 CCCCC(CC)CNCCCNC(=O)C 270004a_100000736810_100011219736 [0,2,0,0,0,0|2,0,0]=4 12299 B15R0.345 CCCCC(CC)CNCCCNC(=O)C 34a_100000736810_100000211942 [0,2,0,0,0,0|2,0,0]=4 12300 B15R0.345 CCCCC(CC)CNCCCOC(=S)C 2230a_100000209976_200135323944 [0,2,0,0,0,0|1,1,0]=4 12301 B15R0.345 CCCCC(CC)CNCCCSC(=O)C 2230a_100000209976_100000038929 [0,2,0,0,0,0|1,1,0]=4 12302 B15R0.345 CCCCC(CC)COCCCCC(=O)C 34a_100000210273_100009817362 [0,2,0,0,0,0|2,0,0]=4 12303 B15R0.345 CCCCC(CC)COCCCCC(=O)C 7a_100000210273_100000735457 [0,2,0,0,0,0|2,0,0]=4 12304 B15R0.345 CCCCC(CC)COCCCNC(=O)C 11a_200011218343_100015343762 [0,2,0,0,0,0|2,0,0]=4 12305 B15R0.345 CCCCC(CC)COCCCNC(=O)C 1626a_200011218343_100015343762 [0,2,0,0,0,0|2,0,0]=4 12306 B15R0.345 CCCCC(CC)COCCCNC(=O)C 240690a_200011218343_100015343762 [0,2,0,0,0,0|2,0,0]=4 12307 B15R0.345 CCCCC(CC)COCCCNC(=O)C 34a_100000752032_100000211942 [0,2,0,0,0,0|2,0,0]=4 12308 B15R0.345 CCCCC(CC)COCCCNC(=O)C 527a_200011218343_100103153847 [0,2,0,0,0,0|2,0,0]=4 12309 B15R0.345 CCCCC(CC)COCCCOC(=O)C 34a_100000210273_100000042594 [0,2,0,0,0,0|1,0,0]=3 12310 B15R0.345 CCCCC(CC)COCCCOC(=O)C 7a_100000210273_100000042594 [0,2,0,0,0,0|1,0,0]=3 12311 B15R0.345 CCCCC(CC)COCCCOC(=S)C 34a_100000210273_200135323944 [0,2,0,0,0,0|1,1,0]=4 12312 B15R0.345 CCCCC(CC)COCCCOC(=S)C 7a_100000210273_200135323944 [0,2,0,0,0,0|1,1,0]=4 12313 B15R0.345 CCCCC(CC)COCCCSC(=O)C 34a_100000210273_100000038929 [0,2,0,0,0,0|1,1,0]=4 12314 B15R0.345 CCCCC(CC)COCCCSC(=O)C 7a_100000210273_100000038929 [0,2,0,0,0,0|1,1,0]=4 12315 B15R0.345 CCCCC(CC)CSCCCCC(=O)C 62a_100000211942_100000735457 [0,2,0,0,0,0|2,0,0]=4 12316 B15R0.345 CCCCC(CC)CSCCCCC(=O)C 62a_100000735457_100000211942 [0,2,0,0,0,0|2,0,0]=4 12317 B15R0.345 CCCCC(CC)CSCCCOC(=O)C 62a_100000042594_100000211942 [0,2,0,0,0,0|1,0,0]=3 12318 B15R0.345 CCCCC(CC)CSCCCOC(=O)C 62a_100000211942_100000042594 [0,2,0,0,0,0|1,0,0]=3 12319 B15R0.345 CCCCC(CC)CSCCCOC(=S)C 62a_100000211942_200135323944 [0,2,0,0,0,0|1,1,0]=4 12320 B15R0.345 CCCCC(CC)CSCCCOC(=S)C 62a_200135323944_100000211942 [0,2,0,0,0,0|1,1,0]=4 12321 B15R0.345 CCCCC(CC)CSCCCSC(=O)C 62a_100000038929_100000211942 [0,2,0,0,0,0|1,1,0]=4 12322 B15R0.345 CCCCC(CC)CSCCCSC(=O)C 62a_100000211942_100000038929 [0,2,0,0,0,0|1,1,0]=4 12323 B15R0.345 CCCCC(CC)NCCCCNC(=O)C 270004a_200011368371_100000753412 [0,2,0,0,0,0|2,0,0]=4 12324 B15R0.345 CCCCC(CC)NCCCCNC(=O)C 34a_200011368371_200011216223 [0,2,0,0,0,0|2,0,0]=4 12325 B15R0.345 CCCCC(CC)OCCCCOC(=O)C 34a_100000073216_200011216223 [0,2,0,0,0,0|1,0,0]=3 12326 B15R0.345 CCCCC(CC)OCCCCOC(=O)C 34a_100011215227_100000033659 [0,2,0,0,0,0|1,0,0]=3 12327 B15R0.345 CCCCC(CC)OCCCCOC(=O)C 7a_100000073216_200011216223 [0,2,0,0,0,0|1,0,0]=3 12328 B15R0.345 CCCCC(CC)OCCCCOC(=O)C 7a_100011215227_100000033659 [0,2,0,0,0,0|1,0,0]=3 12329 B15R0.345 CCCCC(CC)OCCCCSC(=O)C 34a_100011215227_200010402107 [0,2,0,0,0,0|1,1,0]=4 12330 B15R0.345 CCCCC(CC)OCCCCSC(=O)C 7a_100011215227_200010402107 [0,2,0,0,0,0|1,1,0]=4 12331 B15R0.345 CCCCC(CC)OCOCCOC(=O)C 34a_100011215227_100000076355 [0,2,0,0,0,0|2,0,0]=4 12332 B15R0.345 CCCCC(CC)SCCCCOC(=O)C 62a_100000033659_200011216223 [0,2,0,0,0,0|1,0,0]=3 12333 B15R0.345 CCCCC(CC)SCCCCOC(=O)C 62a_200011216223_100000033659 [0,2,0,0,0,0|1,0,0]=3 12334 B15R0.345 CCCCC(CC)SCCCCSC(=O)C 62a_200010402107_200011216223 [0,2,0,0,0,0|1,1,0]=4 12335 B15R0.345 CCCCC(CC)SCCCCSC(=O)C 62a_200011216223_200010402107 [0,2,0,0,0,0|1,1,0]=4 12336 B15R0.345 CCCCC(CC)SCOCCOC(=O)C 62a_100000076355_200011216223 [0,2,0,0,0,0|2,0,0]=4 12337 B15R0.345 CCCCC(CC)SCOCCOC(=O)C 62a_200011216223_100000076355 [0,2,0,0,0,0|2,0,0]=4 12338 B15R0.345 CCCCN(CC)CCCCCOC(=O)C 2230a_100000207695_100009813381 [0,2,0,0,0,0|1,0,0]=3 12339 B15R0.345 CCCCN(CC)CCCCCOC(=O)C 269982a_100000207695_100000033007 [0,2,0,0,0,0|1,0,0]=3 12340 B15R0.345 CCCCN(CC)CCOCCOC(=O)C 2230a_100000207695_200000083610 [0,2,0,0,0,0|2,0,0]=4 12341 B15R0.345 CCCCN(CC)CCOCCOC(=O)C 269982a_100000207695_200000083610 [0,2,0,0,0,0|2,0,0]=4 12342 B15R0.345 CCCC[C@@H](CO)NCCCCOC(=O)C 34a_100011934283_100000033659 [0,2,0,0,0,0|1,0,0]=3 12343 B15R0.345 CCCC[C@@H](CO)NCCCCSC(=O)C 2230a_100011934283_200010402107 [0,2,0,0,0,0|1,1,0]=4 12344 B15R0.345 CCCC[C@@H](CO)NCCCCSC(=O)C 34a_100011934283_200010402107 [0,2,0,0,0,0|1,1,0]=4 12345 B15R0.345 CCCC[C@@H](CO)NCOCCOC(=O)C 34a_100011934283_100000076355 [0,2,0,0,0,0|2,0,0]=4 12346 B15R0.345 CCN(CCCCCOC(=O)C)CCOC 2230a_100000731262_100009813381 [0,2,0,0,0,0|2,0,0]=4 12347 B15R0.345 CCN(CCCCCOC(=O)C)CCOC 269982a_100000731262_100000033007 [0,2,0,0,0,0|2,0,0]=4 12348 B15R0.345 CCOCC(CN)OCCCCOC(=O)C 34a_102515437182_100000033659 [0,2,0,0,0,0|2,0,0]=4 12349 B15R0.3358 CC(=O)OCCCCOC(C)(C)CCCBr 7a_100009888830_100000033659 [0,2,0,0,0,0|2,0,0]=4 12350 B15R0.3358 CCCCC(C)(C)COCCCCC(=O)C 7a_200011995781_100000735457 [0,2,0,0,0,0|2,0,0]=4 12351 B15R0.3358 CCCCC(C)(C)COCCCOC(=O)C 7a_200011995781_100000042594 [0,2,0,0,0,0|1,0,0]=3 12352 B15R0.3358 CCCCC(C)(C)COCCCOC(=S)C 7a_200011995781_200135323944 [0,2,0,0,0,0|1,1,0]=4 12353 B15R0.3358 CCCCC(C)(C)COCCCSC(=O)C 7a_200011995781_100000038929 [0,2,0,0,0,0|1,1,0]=4 12354 B15R0.3358 CCCCC(C)(C)OCCCCOC(=O)C 7a_100011219641_100000033659 [0,2,0,0,0,0|1,0,0]=3 12355 B15R0.3358 CCCCC(C)(C)OCCCCSC(=O)C 7a_100011219641_200010402107 [0,2,0,0,0,0|1,1,0]=4 12356 B15R0.3358 CCCC[Si](C)(C)CSCCCOC(=O)C 62a_100000042594_200000073895 [0,2,0,0,0,0|1,1,0]=4 12357 B15R0.3358 CCCC[Si](C)(C)CSCCCOC(=O)C 62a_200000073895_100000042594 [0,2,0,0,0,0|1,1,0]=4 12358 B15R0.193 C#CCCCCC(=O)CCCCOC(=O)C 1458a_100000696528_100000033659 [0,2,0,0,0,0|0,0,2]=4 12359 B15R0.193 C=C(C)CCOCCC(C)CCCCCC 34a_200011024964_100000730704 [0,2,0,0,0,0|2,0,0]=4 12360 B15R0.193 C=C(C)CCOCCC(C)CCCCCC 7a_200011024964_100000730704 [0,2,0,0,0,0|2,0,0]=4 12361 B15R0.193 C=CCCCCC(=O)CCCCOC(=O)C 1458a_100011215552_100000033659 [0,2,0,0,0,0|0,0,2]=4 12362 B15R0.193 C=CCCCCN(C)CCCCOC(=O)C 269982a_100012000471_100000033659 [0,2,0,0,0,0|0,0,2]=4 12363 B15R0.193 CC(=O)OCCCCC(=O)CCCCCO 1458a_100102619762_100000033659 [0,2,0,0,0,0|0,0,1]=3 12364 B15R0.193 CC(=O)OCCCCC(=O)CCOCCO 1458a_100011229844_100000033659 [0,2,0,0,0,0|1,0,1]=4 12365 B15R0.193 CC(=O)OCCCCN(C)CCCCCO 269982a_100000722520_100000033659 [0,2,0,0,0,0|1,0,0]=3 12366 B15R0.193 CC(=O)OCCCCN(C)CCOCCO 269982a_100000228057_100000033659 [0,2,0,0,0,0|2,0,0]=4 12367 B15R0.193 CC(=O)OCCOCN(C)CCCCCO 269982a_100000722520_100000076355 [0,2,0,0,0,0|2,0,0]=4 12368 B15R0.193 CC(=O)SCCCCC(=O)CCCCCO 1458a_100102619762_200010402107 [0,2,0,0,0,0|0,1,1]=4 12369 B15R0.193 CC(=O)SCCCCN(C)CCCCCO 2230a_100000722520_200010402107 [0,2,0,0,0,0|1,1,0]=4 12370 B15R0.193 CC(=O)SCCCCN(C)CCCCCO 269982a_100000722520_200010402107 [0,2,0,0,0,0|1,1,0]=4 12371 B15R0.193 CCC/C=C/CC(=O)CCCCOC(=O)C 1458a_200016266809_100000033659 [0,2,0,0,0,0|0,0,2]=4 12372 B15R0.193 CCCCC=CC(=O)CCCCOC(=O)C 1458a_100016266645_100000033659 [0,2,0,0,0,0|0,0,2]=4 12373 B15R0.193 CCCCCCC(=O)CCCCCC(=O)N 1458a_100102632555_100009817443 [0,2,0,0,0,0|2,0,0]=4 12374 B15R0.193 CCCCCCC(=O)CCCCOC(=O)C 1458a_100102632555_100000033659 [0,2,0,0,0,0|0,0,0]=2 12375 B15R0.193 CCCCCCC(=O)CCCCO[N+](=O)[O-] 1458a_100102632555_100015694321 [0,2,0,0,0,0|2,0,0]=4 12376 B15R0.193 CCCCCCC(=O)CCCCSC(=O)C 1458a_100102632555_200010402107 [0,2,0,0,0,0|0,1,0]=3 12377 B15R0.193 CCCCCCC(=O)NCCCNC(=O)C 11a_100000736810_100102632555 [0,2,0,0,0,0|1,0,1]=4 12378 B15R0.193 CCCCCCC(=O)NCCCNC(=O)C 240690a_100000736810_100102632555 [0,2,0,0,0,0|1,0,1]=4 12379 B15R0.193 CCCCCCC(=O)NCCCNC(=O)C 527a_100000736810_100102632555 [0,2,0,0,0,0|1,0,1]=4 12380 B15R0.193 CCCCCCC(C)CCOCC=C(C)C 34a_200011024964_100000761012 [0,2,0,0,0,0|2,0,0]=4 12381 B15R0.193 CCCCCCC(C)CCOCC=C(C)C 7a_200011024964_100000761012 [0,2,0,0,0,0|2,0,0]=4 12382 B15R0.193 CCCCCCC(C)CCOCCC(=O)C 7a_200011024964_100000053229 [0,2,0,0,0,0|1,0,0]=3 12383 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 34a_200011024964_100000731001 [0,2,0,0,0,0|2,0,0]=4 12384 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 7a_200011024964_100000744528 [0,2,0,0,0,0|2,0,0]=4 12385 B15R0.193 CCCCCCC(C)CCOCOC(=O)C 34a_200011024964_100009813279 [0,2,0,0,0,0|0,0,0]=2 12386 B15R0.193 CCCCCCC(C)CCOCOC(C)C 34a_200011024964_100000709892 [0,2,0,0,0,0|1,0,1]=4 12387 B15R0.193 CCCCCCC(C)NCCCCC(=O)C 34a_100000210919_100009817362 [0,2,0,0,0,0|1,0,0]=3 12388 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210826 [0,2,0,0,0,0|2,0,0]=4 12389 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 34a_100000696515_100011215978 [0,2,0,0,0,0|2,0,0]=4 12390 B15R0.193 CCCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210826 [0,2,0,0,0,0|1,0,0]=3 12391 B15R0.193 CCCCCCC(C)NCCCNC(=O)C 34a_100000736810_100011215978 [0,2,0,0,0,0|1,0,0]=3 12392 B15R0.193 CCCCCCC(C)NCCCOC(=O)C 34a_100000210919_100000042594 [0,2,0,0,0,0|0,0,0]=2 12393 B15R0.193 CCCCCCC(C)NCCCOC(=S)C 2230a_100000210919_200135323944 [0,2,0,0,0,0|0,1,0]=3 12394 B15R0.193 CCCCCCC(C)NCCCOC(=S)C 34a_100000210919_200135323944 [0,2,0,0,0,0|0,1,0]=3 12395 B15R0.193 CCCCCCC(C)NCCCOC(C)C 2230a_100000737246_100011215978 [0,2,0,0,0,0|1,0,1]=4 12396 B15R0.193 CCCCCCC(C)NCCCOC(C)C 270004a_100000737246_100000210826 [0,2,0,0,0,0|1,0,1]=4 12397 B15R0.193 CCCCCCC(C)NCCCOC(C)C 34a_100000737246_100011215978 [0,2,0,0,0,0|1,0,1]=4 12398 B15R0.193 CCCCCCC(C)NCCCSC(=O)C 2230a_100000210919_100000038929 [0,2,0,0,0,0|0,1,0]=3 12399 B15R0.193 CCCCCCC(C)NCCCSC(=O)C 34a_100000210919_100000038929 [0,2,0,0,0,0|0,1,0]=3 12400 B15R0.193 CCCCCCC(C)NCCOCC(=O)N 2230a_100000210919_100000076697 [0,2,0,0,0,0|2,0,0]=4 12401 B15R0.193 CCCCCCC(C)NCCOCC(=O)N 34a_100000210919_100000076697 [0,2,0,0,0,0|2,0,0]=4 12402 B15R0.193 CCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_100011215978 [0,2,0,0,0,0|2,0,0]=4 12403 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 34a_100000210265_100009817362 [0,2,0,0,0,0|1,0,0]=3 12404 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 7a_100000210265_100000735457 [0,2,0,0,0,0|1,0,0]=3 12405 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 34a_100012022536_100011215978 [0,2,0,0,0,0|2,0,0]=4 12406 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 7a_100012022536_100011215978 [0,2,0,0,0,0|2,0,0]=4 12407 B15R0.193 CCCCCCC(C)OCCCNC(=O)C 34a_100000752032_100011215978 [0,2,0,0,0,0|1,0,0]=3 12408 B15R0.193 CCCCCCC(C)OCCCOC(=O)C 34a_100000210265_100000042594 [0,2,0,0,0,0|0,0,0]=2 12409 B15R0.193 CCCCCCC(C)OCCCOC(=O)C 7a_100000210265_100000042594 [0,2,0,0,0,0|0,0,0]=2 12410 B15R0.193 CCCCCCC(C)OCCCOC(=S)C 34a_100000210265_200135323944 [0,2,0,0,0,0|0,1,0]=3 12411 B15R0.193 CCCCCCC(C)OCCCOC(=S)C 7a_100000210265_200135323944 [0,2,0,0,0,0|0,1,0]=3 12412 B15R0.193 CCCCCCC(C)OCCCSC(=O)C 34a_100000210265_100000038929 [0,2,0,0,0,0|0,1,0]=3 12413 B15R0.193 CCCCCCC(C)OCCCSC(=O)C 7a_100000210265_100000038929 [0,2,0,0,0,0|0,1,0]=3 12414 B15R0.193 CCCCCCC(C)OCCOCC(=O)N 34a_100000210265_100000076697 [0,2,0,0,0,0|2,0,0]=4 12415 B15R0.193 CCCCCCC(C)OCCOCC(=O)N 7a_100000210265_100000076697 [0,2,0,0,0,0|2,0,0]=4 12416 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100000735457_100011215978 [0,2,0,0,0,0|1,0,0]=3 12417 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100011215978_100000735457 [0,2,0,0,0,0|1,0,0]=3 12418 B15R0.193 CCCCCCC(C)SCCCOC(=O)C 62a_100000042594_100011215978 [0,2,0,0,0,0|0,0,0]=2 12419 B15R0.193 CCCCCCC(C)SCCCOC(=O)C 62a_100011215978_100000042594 [0,2,0,0,0,0|0,0,0]=2 12420 B15R0.193 CCCCCCC(C)SCCCOC(=S)C 62a_100011215978_200135323944 [0,2,0,0,0,0|0,1,0]=3 12421 B15R0.193 CCCCCCC(C)SCCCOC(=S)C 62a_200135323944_100011215978 [0,2,0,0,0,0|0,1,0]=3 12422 B15R0.193 CCCCCCC(C)SCCCSC(=O)C 62a_100000038929_100011215978 [0,2,0,0,0,0|0,1,0]=3 12423 B15R0.193 CCCCCCC(C)SCCCSC(=O)C 62a_100011215978_100000038929 [0,2,0,0,0,0|0,1,0]=3 12424 B15R0.193 CCCCCCC(C)SCCOCC(=O)N 62a_100000076697_100011215978 [0,2,0,0,0,0|2,0,0]=4 12425 B15R0.193 CCCCCCC(C)SCCOCC(=O)N 62a_100011215978_100000076697 [0,2,0,0,0,0|2,0,0]=4 12426 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 2230a_106256046315_100009817443 [0,2,0,0,0,0|2,0,0]=4 12427 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 269982a_106256046315_100009817443 [0,2,0,0,0,0|2,0,0]=4 12428 B15R0.193 CCCCCCN(C)CCCCOC(=O)C 269982a_106256046315_100000033659 [0,2,0,0,0,0|0,0,0]=2 12429 B15R0.193 CCCCCCN(C)CCCCO[N+](=O)[O-] 269982a_106256046315_100015694321 [0,2,0,0,0,0|2,0,0]=4 12430 B15R0.193 CCCCCCN(C)CCCCSC(=O)C 2230a_106256046315_200010402107 [0,2,0,0,0,0|0,1,0]=3 12431 B15R0.193 CCCCCCN(C)CCCCSC(=O)C 269982a_106256046315_200010402107 [0,2,0,0,0,0|0,1,0]=3 12432 B15R0.193 CCCCCCN(C)COCCOC(=O)C 269982a_106256046315_100000076355 [0,2,0,0,0,0|1,0,0]=3 12433 B15R0.193 CCCCCNC(=O)CSCCOC(=O)C 62a_100000230301_100009814007 [0,2,0,0,0,0|1,0,1]=4 12434 B15R0.193 CCCCCNC(=O)CSCCOC(=O)C 62a_100009814007_100000230301 [0,2,0,0,0,0|1,0,1]=4 12435 B15R0.193 CCCCOCC(=O)CCCCOC(=O)C 1458a_100000757543_100000033659 [0,2,0,0,0,0|0,0,1]=3 12436 B15R0.193 CCCCOCC(=O)CCCCSC(=O)C 1458a_100000757543_200010402107 [0,2,0,0,0,0|0,1,1]=4 12437 B15R0.193 CCCCOCC(C)OCCCCC(=O)C 34a_100011217071_100009817362 [0,2,0,0,0,0|2,0,0]=4 12438 B15R0.193 CCCCOCC(C)OCCCCC(=O)C 7a_100011217071_100000735457 [0,2,0,0,0,0|2,0,0]=4 12439 B15R0.193 CCCCOCC(C)OCCCOC(=O)C 34a_100011217071_100000042594 [0,2,0,0,0,0|1,0,0]=3 12440 B15R0.193 CCCCOCC(C)OCCCOC(=O)C 7a_100011217071_100000042594 [0,2,0,0,0,0|1,0,0]=3 12441 B15R0.193 CCCCOCC(C)OCCCOC(=S)C 34a_100011217071_200135323944 [0,2,0,0,0,0|1,1,0]=4 12442 B15R0.193 CCCCOCC(C)OCCCOC(=S)C 7a_100011217071_200135323944 [0,2,0,0,0,0|1,1,0]=4 12443 B15R0.193 CCCCOCC(C)OCCCSC(=O)C 34a_100011217071_100000038929 [0,2,0,0,0,0|1,1,0]=4 12444 B15R0.193 CCCCOCC(C)OCCCSC(=O)C 7a_100011217071_100000038929 [0,2,0,0,0,0|1,1,0]=4 12445 B15R0.193 CCCCSCC(=O)CCCCOC(=O)C 1458a_100000191162_100000033659 [0,2,0,0,0,0|0,0,1]=3 12446 B15R0.193 CCCCSCC(=O)CCCCSC(=O)C 1458a_100000191162_200010402107 [0,2,0,0,0,0|0,1,1]=4 12447 B15R0.193 COCCOCC(=O)CCCCOC(=O)C 1458a_100000211095_100000033659 [0,2,0,0,0,0|1,0,1]=4 12448 B15R0.233 CCCCCC(=O)CCCCCC(=O)OC 1458a_100000212188_100009816466 [0,2,0,0,0,0|1,0,1]=4 12449 B15R0.233 CCCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210326 [0,2,0,0,0,0|1,0,1]=4 12450 B15R0.233 CCCCCC(=O)COCCOC(=O)CC 7a_200000031056_200012276598 [0,2,0,0,0,0|1,0,1]=4 12451 B15R0.233 CCCCCC(=O)COCCOC(=O)OC 34a_100010262106_200012276598 [0,2,0,0,0,0|1,0,1]=4 12452 B15R0.233 CCCCCC(=O)CSCCOC(=O)NC 62a_200011997002_200012276598 [0,2,0,0,0,0|1,0,1]=4 12453 B15R0.233 CCCCCC(=O)CSCCOC(=O)NC 62a_200012276598_200011997002 [0,2,0,0,0,0|1,0,1]=4 12454 B15R0.233 CCCCCC(C)NCCCCC(=O)OC 2230a_100000211957_100000204269 [0,2,0,0,0,0|2,0,0]=4 12455 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 34a_100000059025_200011218191 [0,2,0,0,0,0|2,0,0]=4 12456 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 34a_100011215632_100000204269 [0,2,0,0,0,0|2,0,0]=4 12457 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 7a_100000059025_200011218191 [0,2,0,0,0,0|2,0,0]=4 12458 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 7a_100011215632_100000204269 [0,2,0,0,0,0|2,0,0]=4 12459 B15R0.233 CCCCCC(C)SCCCCC(=O)OC 62a_100000204269_200011218191 [0,2,0,0,0,0|2,0,0]=4 12460 B15R0.233 CCCCCC(C)SCCCCC(=O)OC 62a_200011218191_100000204269 [0,2,0,0,0,0|2,0,0]=4 12461 B15R0.233 CCCCCN(C)CCCCCC(=O)OC 2230a_100000223495_100009816466 [0,2,0,0,0,0|2,0,0]=4 12462 B15R0.233 CCCCCN(C)CCCCCC(=O)OC 269982a_100000223495_100009816466 [0,2,0,0,0,0|2,0,0]=4 12463 B15R0.233 CNC(=O)OCCOC[C@@H](N)CCCCN 34a_100016993712_200011997002 [0,2,0,0,0,0|2,0,0]=4 12464 B15R0.242 CCCCCC(C)NCC(C)CSC(=O)C 2230a_100000211957_200000116872 [0,2,0,0,0,0|1,1,0]=4 12465 B15R0.242 CCCCCC(C)OCC(=O)COC(=O)C 34a_100011215632_100000036994 [0,2,0,0,0,0|1,0,1]=4 12466 B15R0.242 CCCCCC(C)OCC(C)CSC(=O)C 34a_100011215632_200000116872 [0,2,0,0,0,0|1,1,0]=4 12467 B15R0.242 CCCCCC(C)OCC(C)CSC(=O)C 7a_100011215632_200000116872 [0,2,0,0,0,0|1,1,0]=4 12468 B15R0.242 CCCCCC(C)OCC(O)COC(=O)C 34a_100011215632_200000139349 [0,2,0,0,0,0|1,0,0]=3 12469 B15R0.242 CCCCCC(C)OCC(O)COC(=O)C 7a_100011215632_200000139349 [0,2,0,0,0,0|1,0,0]=3 12470 B15R0.242 CCCCCC(C)SCC(=O)COC(=O)C 62a_100000036994_200011218191 [0,2,0,0,0,0|1,0,1]=4 12471 B15R0.242 CCCCCC(C)SCC(=O)COC(=O)C 62a_200011218191_100000036994 [0,2,0,0,0,0|1,0,1]=4 12472 B15R0.242 CCCCCC(C)SCC(C)CSC(=O)C 62a_200000116872_200011218191 [0,2,0,0,0,0|1,1,0]=4 12473 B15R0.242 CCCCCC(C)SCC(C)CSC(=O)C 62a_200011218191_200000116872 [0,2,0,0,0,0|1,1,0]=4 12474 B15R0.242 CCCCCC(C)SCC(O)COC(=O)C 62a_200000139349_200011218191 [0,2,0,0,0,0|1,0,0]=3 12475 B15R0.242 CCCCCC(C)SCC(O)COC(=O)C 62a_200011218191_200000139349 [0,2,0,0,0,0|1,0,0]=3 12476 B15R0.242 COCCCC(C)OCC(O)COC(=O)C 34a_200011539412_200000139349 [0,2,0,0,0,0|2,0,0]=4 12477 B15R0.242 COCCCC(C)OCC(O)COC(=O)C 7a_200011539412_200000139349 [0,2,0,0,0,0|2,0,0]=4 12478 B15R0.399 C=C(CCC)CC(=O)CCCCOC(=O)C 1458a_100000138376_100000033659 [0,2,0,0,0,0|0,0,2]=4 12479 B15R0.399 CCCC(C)CC(=O)CCCCOC(=O)C 1458a_100000748435_100000033659 [0,2,0,0,0,0|0,0,1]=3 12480 B15R0.399 CCCC(C)CC(=O)CCCCSC(=O)C 1458a_100000748435_200010402107 [0,2,0,0,0,0|0,1,1]=4 12481 B15R0.399 CCCS(=O)CC(=O)CCCCOC(=O)C 1458a_100011387404_100000033659 [0,2,0,0,0,0|1,0,1]=4 12482 B15R0.399 CCSC(C)CC(=O)CCCCOC(=O)C 1458a_200011311441_100000033659 [0,2,0,0,0,0|1,0,1]=4 12483 B15R0.399 COCC(O)CN(C)CCCCOC(=O)C 269982a_100000739405_100000033659 [0,2,0,0,0,0|2,0,0]=4 12484 B15R0.959 CCC(C)CCC(=O)CCCCOC(=O)C 1458a_100000701222_100000033659 [0,2,0,0,0,0|0,0,1]=3 12485 B15R0.959 CCC(C)CCC(=O)CCCCSC(=O)C 1458a_100000701222_200010402107 [0,2,0,0,0,0|0,1,1]=4 12486 B15R0.959 CCC(C)CCC(C)OCCCCC(=O)C 7a_200011216552_100000735457 [0,2,0,0,0,0|2,0,0]=4 12487 B15R0.959 CCC(C)CCC(C)OCCCOC(=O)C 7a_200011216552_100000042594 [0,2,0,0,0,0|1,0,0]=3 12488 B15R0.959 CCC(C)CCC(C)OCCCOC(=S)C 7a_200011216552_200135323944 [0,2,0,0,0,0|1,1,0]=4 12489 B15R0.959 CCC(C)CCC(C)OCCCSC(=O)C 7a_200011216552_100000038929 [0,2,0,0,0,0|1,1,0]=4 12490 B15R0.959 CCN(C)CCC(=O)CCCCOC(=O)C 1458a_100000755305_100000033659 [0,2,0,0,0,0|1,0,1]=4 12491 B15R0.959 CCS(=O)CCC(=O)CCCCOC(=O)C 1458a_100011387550_100000033659 [0,2,0,0,0,0|1,0,1]=4 12492 B15R0.1566 C#CC(CCCCC)OCCCCC(=O)C 34a_100011216489_100009817362 [0,2,0,0,0,0|2,0,0]=4 12493 B15R0.1566 C#CC(CCCCC)OCCCCC(=O)C 7a_100011216489_100000735457 [0,2,0,0,0,0|2,0,0]=4 12494 B15R0.1566 C#CC(CCCCC)OCCCOC(=O)C 34a_100011216489_100000042594 [0,2,0,0,0,0|1,0,0]=3 12495 B15R0.1566 C#CC(CCCCC)OCCCOC(=O)C 7a_100011216489_100000042594 [0,2,0,0,0,0|1,0,0]=3 12496 B15R0.1566 C#CC(CCCCC)OCCCOC(=S)C 34a_100011216489_200135323944 [0,2,0,0,0,0|1,1,0]=4 12497 B15R0.1566 C#CC(CCCCC)OCCCOC(=S)C 7a_100011216489_200135323944 [0,2,0,0,0,0|1,1,0]=4 12498 B15R0.1566 C#CC(CCCCC)OCCCSC(=O)C 34a_100011216489_100000038929 [0,2,0,0,0,0|1,1,0]=4 12499 B15R0.1566 C#CC(CCCCC)OCCCSC(=O)C 7a_100011216489_100000038929 [0,2,0,0,0,0|1,1,0]=4 12500 B15R0.1566 C=CC(CCCCC)OCCCCC(=O)C 34a_100011216863_100009817362 [0,2,0,0,0,0|2,0,0]=4 12501 B15R0.1566 C=CC(CCCCC)OCCCCC(=O)C 7a_100011216863_100000735457 [0,2,0,0,0,0|2,0,0]=4 12502 B15R0.1566 C=CC(CCCCC)OCCCOC(=O)C 34a_100011216863_100000042594 [0,2,0,0,0,0|1,0,0]=3 12503 B15R0.1566 C=CC(CCCCC)OCCCOC(=O)C 7a_100011216863_100000042594 [0,2,0,0,0,0|1,0,0]=3 12504 B15R0.1566 C=CC(CCCCC)OCCCOC(=S)C 34a_100011216863_200135323944 [0,2,0,0,0,0|1,1,0]=4 12505 B15R0.1566 C=CC(CCCCC)OCCCOC(=S)C 7a_100011216863_200135323944 [0,2,0,0,0,0|1,1,0]=4 12506 B15R0.1566 C=CC(CCCCC)OCCCSC(=O)C 34a_100011216863_100000038929 [0,2,0,0,0,0|1,1,0]=4 12507 B15R0.1566 C=CC(CCCCC)OCCCSC(=O)C 7a_100011216863_100000038929 [0,2,0,0,0,0|1,1,0]=4 12508 B15R0.1566 CCCCCC(CC)NCCCNC(=O)C 270004a_100000736810_100011215316 [0,2,0,0,0,0|2,0,0]=4 12509 B15R0.1566 CCCCCC(CC)OCCCCC(=O)C 34a_100011215405_100009817362 [0,2,0,0,0,0|2,0,0]=4 12510 B15R0.1566 CCCCCC(CC)OCCCCC(=O)C 7a_100011215405_100000735457 [0,2,0,0,0,0|2,0,0]=4 12511 B15R0.1566 CCCCCC(CC)OCCCOC(=O)C 34a_100011215405_100000042594 [0,2,0,0,0,0|1,0,0]=3 12512 B15R0.1566 CCCCCC(CC)OCCCOC(=O)C 7a_100011215405_100000042594 [0,2,0,0,0,0|1,0,0]=3 12513 B15R0.1566 CCCCCC(CC)OCCCOC(=S)C 34a_100011215405_200135323944 [0,2,0,0,0,0|1,1,0]=4 12514 B15R0.1566 CCCCCC(CC)OCCCOC(=S)C 7a_100011215405_200135323944 [0,2,0,0,0,0|1,1,0]=4 12515 B15R0.1566 CCCCCC(CC)OCCCSC(=O)C 34a_100011215405_100000038929 [0,2,0,0,0,0|1,1,0]=4 12516 B15R0.1566 CCCCCC(CC)OCCCSC(=O)C 7a_100011215405_100000038929 [0,2,0,0,0,0|1,1,0]=4 12517 B15R0.1566 CCN(CCCCO)CCCCOC(=O)C 269982a_100011217355_100000033659 [0,2,0,0,0,0|2,0,0]=4 12518 B15R0.3196 CCCCCC(C)C(=O)CCCCC(=O)C 1458a_100011215998_100000735457 [0,2,0,0,0,0|1,0,1]=4 12519 B15R0.3196 CCCCCC(C)C(=O)CCCNC(=O)C 1458a_100000194741_200011218191 [0,2,0,0,0,0|1,0,1]=4 12520 B15R0.3196 CCCCCC(C)C(=O)CCCOC(=O)C 1458a_100011215998_100000042594 [0,2,0,0,0,0|0,0,1]=3 12521 B15R0.3196 CCCCCC(C)C(=O)CCCOC(=S)C 1458a_100011215998_200135323944 [0,2,0,0,0,0|0,1,1]=4 12522 B15R0.3196 CCCCCC(C)C(=O)CCCSC(=O)C 1458a_100011215998_100000038929 [0,2,0,0,0,0|0,1,1]=4 12523 B15R0.3196 CCCCCC(C)C(=O)NCCOC(=O)C 11a_100000724843_100011215998 [0,2,0,0,0,0|1,0,1]=4 12524 B15R0.3196 CCCCCC(C)C(=O)NCCOC(=O)C 240690a_100000724843_100011215998 [0,2,0,0,0,0|1,0,1]=4 12525 B15R0.3196 CCCCCC(C)C(=O)NCCOC(=O)C 527a_100000724843_100011215998 [0,2,0,0,0,0|1,0,1]=4 12526 B15R0.3196 CCCCSC(C)C(=O)CCCOC(=O)C 1458a_100000191163_100000042594 [0,2,0,0,0,0|1,0,1]=4 12527 B15R0.111 C=CCC(C)COCCCCCOC(=O)C 34a_100009832082_100000033007 [0,2,0,0,0,0|0,0,2]=4 12528 B15R0.111 C=CCC(C)COCCCCCOC(=O)C 7a_100009832082_100000033007 [0,2,0,0,0,0|0,0,2]=4 12529 B15R0.111 C=CC[C@@H](N)COCCCCCOC(=O)C 34a_100020615467_100000033007 [0,2,0,0,0,0|0,0,2]=4 12530 B15R0.111 CC(=O)NCCCCCCNC(C)CCO 2230a_200011996284_100009893172 [0,2,0,0,0,0|2,0,0]=4 12531 B15R0.111 CC(=O)NCCCCCCNC(C)CCO 34a_200011996284_100009893172 [0,2,0,0,0,0|2,0,0]=4 12532 B15R0.111 CC(=O)OCCCCCOCC(C)CCN 34a_106354213184_100000033007 [0,2,0,0,0,0|1,0,0]=3 12533 B15R0.111 CC(=O)OCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000033007 [0,2,0,0,0,0|1,0,1]=4 12534 B15R0.111 CC(=O)OCCCCCSC[C@@H](O)CC#N 62a_100000033007_100000001066 [0,2,0,0,0,0|1,0,1]=4 12535 B15R0.111 CC(=O)OCCOCCOCC(C)CCN 34a_106354213184_200000083610 [0,2,0,0,0,0|2,0,0]=4 12536 B15R0.111 CCCC(=O)CNCCCCCNC(=O)C 2230a_200012022750_100000747444 [0,2,0,0,0,0|1,0,1]=4 12537 B15R0.111 CCCC(=O)CSCCCCCOC(=O)C 62a_100000033007_100000747444 [0,2,0,0,0,0|0,0,1]=3 12538 B15R0.111 CCCC(=O)CSCCCCCOC(=O)C 62a_100000747444_100000033007 [0,2,0,0,0,0|0,0,1]=3 12539 B15R0.111 CCCC(=O)CSCCOCCOC(=O)C 62a_100000747444_200000083610 [0,2,0,0,0,0|1,0,1]=4 12540 B15R0.111 CCCC(=O)CSCCOCCOC(=O)C 62a_200000083610_100000747444 [0,2,0,0,0,0|1,0,1]=4 12541 B15R0.111 CCCC(=O)NCCCCCCNC(=O)C 11a_200011996284_100000211992 [0,2,0,0,0,0|1,0,1]=4 12542 B15R0.111 CCCC(=O)NCCCCCCNC(=O)C 1626a_200011996284_100000211992 [0,2,0,0,0,0|1,0,1]=4 12543 B15R0.111 CCCC(=O)NCCCCCCNC(=O)C 240690a_200011996284_100000211992 [0,2,0,0,0,0|1,0,1]=4 12544 B15R0.111 CCCC(=O)NCCCCCCNC(=O)C 527a_200011996284_100000211992 [0,2,0,0,0,0|1,0,1]=4 12545 B15R0.111 CCCC(=O)NCCCCCCSC(=O)C 11a_100000704104_100000211992 [0,2,0,0,0,0|0,1,1]=4 12546 B15R0.111 CCCC(=O)NCCCCCCSC(=O)C 1626a_100000704104_100000211992 [0,2,0,0,0,0|0,1,1]=4 12547 B15R0.111 CCCC(=O)NCCCCCCSC(=O)C 240690a_100000704104_100000211992 [0,2,0,0,0,0|0,1,1]=4 12548 B15R0.111 CCCC(=O)NCCCCCCSC(=O)C 527a_100000704104_100000211992 [0,2,0,0,0,0|0,1,1]=4 12549 B15R0.111 CCCC(=O)OCOCCCCOC(=O)C 34a_100000073216_100000034017 [0,2,0,0,0,0|1,0,1]=4 12550 B15R0.111 CCCC(=O)OCSCCCCOC(=O)C 62a_100000033659_100000034017 [0,2,0,0,0,0|1,0,1]=4 12551 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 34a_100011713154_100009817362 [0,2,0,0,0,0|1,0,0]=3 12552 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 7a_100011713154_100000735457 [0,2,0,0,0,0|1,0,0]=3 12553 B15R0.111 CCCC(C)CCCOCCCOC(=O)C 34a_100011713154_100000042594 [0,2,0,0,0,0|0,0,0]=2 12554 B15R0.111 CCCC(C)CCCOCCCOC(=O)C 7a_100011713154_100000042594 [0,2,0,0,0,0|0,0,0]=2 12555 B15R0.111 CCCC(C)CCCOCCCOC(=S)C 34a_100011713154_200135323944 [0,2,0,0,0,0|0,1,0]=3 12556 B15R0.111 CCCC(C)CCCOCCCOC(=S)C 7a_100011713154_200135323944 [0,2,0,0,0,0|0,1,0]=3 12557 B15R0.111 CCCC(C)CCCOCCCSC(=O)C 34a_100011713154_100000038929 [0,2,0,0,0,0|0,1,0]=3 12558 B15R0.111 CCCC(C)CCCOCCCSC(=O)C 7a_100011713154_100000038929 [0,2,0,0,0,0|0,1,0]=3 12559 B15R0.111 CCCC(C)CCCOCCOCC(=O)N 34a_100011713154_100000076697 [0,2,0,0,0,0|2,0,0]=4 12560 B15R0.111 CCCC(C)CCCOCCOCC(=O)N 7a_100011713154_100000076697 [0,2,0,0,0,0|2,0,0]=4 12561 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 34a_100011217855_100009817443 [0,2,0,0,0,0|2,0,0]=4 12562 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 7a_100011217855_100009817443 [0,2,0,0,0,0|2,0,0]=4 12563 B15R0.111 CCCC(C)CCOCCCCOC(=O)C 34a_100011217855_100000033659 [0,2,0,0,0,0|0,0,0]=2 12564 B15R0.111 CCCC(C)CCOCCCCOC(=O)C 7a_100011217855_100000033659 [0,2,0,0,0,0|0,0,0]=2 12565 B15R0.111 CCCC(C)CCOCCCCO[N+](=O)[O-] 34a_100011217855_100015694321 [0,2,0,0,0,0|2,0,0]=4 12566 B15R0.111 CCCC(C)CCOCCCCO[N+](=O)[O-] 7a_100011217855_100015694321 [0,2,0,0,0,0|2,0,0]=4 12567 B15R0.111 CCCC(C)CCOCCCCSC(=O)C 34a_100011217855_200010402107 [0,2,0,0,0,0|0,1,0]=3 12568 B15R0.111 CCCC(C)CCOCCCCSC(=O)C 7a_100011217855_200010402107 [0,2,0,0,0,0|0,1,0]=3 12569 B15R0.111 CCCC(C)CCOCOCCOC(=O)C 34a_100011217855_100000076355 [0,2,0,0,0,0|1,0,0]=3 12570 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 2230a_200012022750_100011216630 [0,2,0,0,0,0|1,0,0]=3 12571 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 270004a_200012022750_100000243154 [0,2,0,0,0,0|1,0,0]=3 12572 B15R0.111 CCCC(C)CNCCCCCNC(=O)C 34a_200012022750_100011216630 [0,2,0,0,0,0|1,0,0]=3 12573 B15R0.111 CCCC(C)COCCCCCOC(=O)C 34a_100000688023_100000033007 [0,2,0,0,0,0|0,0,0]=2 12574 B15R0.111 CCCC(C)COCCCCCOC(=O)C 7a_100000688023_100000033007 [0,2,0,0,0,0|0,0,0]=2 12575 B15R0.111 CCCC(C)COCCOCCOC(=O)C 34a_100000688023_200000083610 [0,2,0,0,0,0|1,0,0]=3 12576 B15R0.111 CCCC(C)COCCOCCOC(=O)C 7a_100000688023_200000083610 [0,2,0,0,0,0|1,0,0]=3 12577 B15R0.111 CCCC(C)CSCCCCCOC(=O)C 62a_100000033007_100011216630 [0,2,0,0,0,0|0,0,0]=2 12578 B15R0.111 CCCC(C)CSCCCCCOC(=O)C 62a_100011216630_100000033007 [0,2,0,0,0,0|0,0,0]=2 12579 B15R0.111 CCCC(C)CSCCOCCOC(=O)C 62a_100011216630_200000083610 [0,2,0,0,0,0|1,0,0]=3 12580 B15R0.111 CCCC(C)CSCCOCCOC(=O)C 62a_200000083610_100011216630 [0,2,0,0,0,0|1,0,0]=3 12581 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100000766640 [0,2,0,0,0,0|1,0,0]=3 12582 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000211909 [0,2,0,0,0,0|1,0,0]=3 12583 B15R0.111 CCCC(C)NCCCCCCNC(=O)C 34a_200011996284_100000766640 [0,2,0,0,0,0|1,0,0]=3 12584 B15R0.111 CCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000211909 [0,2,0,0,0,0|0,1,0]=3 12585 B15R0.111 CCC[C@H](N)CCOCCCCCC(=O)N 34a_100015193777_100009817443 [0,2,0,0,0,0|2,0,0]=4 12586 B15R0.111 CCC[C@H](N)CCOCCCCOC(=O)C 34a_100015193777_100000033659 [0,2,0,0,0,0|0,0,0]=2 12587 B15R0.111 CCC[C@H](N)CCOCCCCO[N+](=O)[O-] 34a_100015193777_100015694321 [0,2,0,0,0,0|2,0,0]=4 12588 B15R0.111 CCC[C@H](N)CCOCCCCSC(=O)C 34a_100015193777_200010402107 [0,2,0,0,0,0|0,1,0]=3 12589 B15R0.111 CCC[C@H](N)CCOCOCCOC(=O)C 34a_100015193777_100000076355 [0,2,0,0,0,0|1,0,0]=3 12590 B15R0.111 CCC[C@H](N)COCCCCCOC(=O)C 34a_100000732646_100000033007 [0,2,0,0,0,0|0,0,0]=2 12591 B15R0.111 CCC[C@H](N)COCCOCCOC(=O)C 34a_100000732646_200000083610 [0,2,0,0,0,0|1,0,0]=3 12592 B15R0.111 CCNC(=O)CCNCCCCOC(=O)C 34a_100025743525_100000033659 [0,2,0,0,0,0|1,0,1]=4 12593 B15R0.111 CCNC(=O)CCOCCCCOC(=O)C 7a_100000073216_100000737597 [0,2,0,0,0,0|1,0,1]=4 12594 B15R0.111 CCNC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000737597 [0,2,0,0,0,0|1,0,1]=4 12595 B15R0.111 CCNC(=O)CCSCCCCOC(=O)C 62a_100000737597_100000033659 [0,2,0,0,0,0|1,0,1]=4 12596 B15R0.111 CCNC(=O)CNCCCCCOC(=O)C 2230a_100016988866_100009813381 [0,2,0,0,0,0|1,0,1]=4 12597 B15R0.111 CCNC(=O)CSCCCCCOC(=O)C 62a_100000033007_100000183381 [0,2,0,0,0,0|1,0,1]=4 12598 B15R0.111 CCNC(=O)CSCCCCCOC(=O)C 62a_100000183381_100000033007 [0,2,0,0,0,0|1,0,1]=4 12599 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010175975 [0,2,0,0,0,0|1,0,1]=4 12600 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_200000016031_200000210301 [0,2,0,0,0,0|1,0,1]=4 12601 B15R0.111 CCOC(=O)CCCCCCCCC(=O)[13CH3] 1458a_200000016031_200025704644 [0,2,0,0,0,0|1,0,1]=4 12602 B15R0.111 CCOC(=O)CCCCCCOCC(=O)C 34a_100000211253_100009814379 [0,2,0,0,0,0|1,0,1]=4 12603 B15R0.111 CCOC(=O)CCCCCSCOC(=O)C 62a_100000076356_100000755133 [0,2,0,0,0,0|1,0,1]=4 12604 B15R0.111 CCOC(=O)CCCCCSCOC(=O)C 62a_100000755133_100000076356 [0,2,0,0,0,0|1,0,1]=4 12605 B15R0.111 CCOC(=O)CCCCSCCOC(=O)C 62a_100000750268_100009814007 [0,2,0,0,0,0|1,0,1]=4 12606 B15R0.111 CCOC(=O)CCCCSCCOC(=O)C 62a_100009814007_100000750268 [0,2,0,0,0,0|1,0,1]=4 12607 B15R0.111 CCOC(=O)CCCOCCCOC(=O)C 7a_100012001163_100000042594 [0,2,0,0,0,0|1,0,1]=4 12608 B15R0.111 CCOC(=O)CCCSCCCOC(=O)C 62a_100000042594_100009991533 [0,2,0,0,0,0|1,0,1]=4 12609 B15R0.111 CCOC(=O)CCCSCCCOC(=O)C 62a_100009991533_100000042594 [0,2,0,0,0,0|1,0,1]=4 12610 B15R0.111 CCOC(=O)CCOCCCCOC(=O)C 34a_100000073216_100000765890 [0,2,0,0,0,0|1,0,1]=4 12611 B15R0.111 CCOC(=O)CCOCCCCOC(=O)C 7a_100000073216_100011206558 [0,2,0,0,0,0|1,0,1]=4 12612 B15R0.111 CCOC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000765890 [0,2,0,0,0,0|1,0,1]=4 12613 B15R0.111 CCOC(=O)CCSCCCCOC(=O)C 62a_100000765890_100000033659 [0,2,0,0,0,0|1,0,1]=4 12614 B15R0.111 CCOC(=O)CSCCCCCOC(=O)C 62a_100000033007_100000188475 [0,2,0,0,0,0|1,0,1]=4 12615 B15R0.111 CCOC(=O)CSCCCCCOC(=O)C 62a_100000188475_100000033007 [0,2,0,0,0,0|1,0,1]=4 12616 B15R0.111 COCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100000765312 [0,2,0,0,0,0|2,0,0]=4 12617 B15R0.111 COCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000749346 [0,2,0,0,0,0|2,0,0]=4 12618 B15R0.111 COCC(C)NCCCCCCNC(=O)C 34a_200011996284_100000765312 [0,2,0,0,0,0|2,0,0]=4 12619 B15R0.111 COCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000749346 [0,2,0,0,0,0|1,1,0]=4 12620 B15R0.111 COCC(N)COCCCCCOC(=O)C 34a_100000724102_100000033007 [0,2,0,0,0,0|1,0,0]=3 12621 B15R0.111 COCC(N)COCCOCCOC(=O)C 34a_100000724102_200000083610 [0,2,0,0,0,0|2,0,0]=4 12622 B15R0.111 COCC(O)CNCCCCCNC(=O)C 34a_200012022750_100011215053 [0,2,0,0,0,0|2,0,0]=4 12623 B15R0.111 COCC(O)CNCCCCCOC(=O)C 2230a_100000756049_100009813381 [0,2,0,0,0,0|1,0,0]=3 12624 B15R0.111 COCC(O)CNCCCCCOC(=O)C 34a_100000756049_100000033007 [0,2,0,0,0,0|1,0,0]=3 12625 B15R0.111 COCC(O)CNCCOCCOC(=O)C 2230a_100000756049_200000083610 [0,2,0,0,0,0|2,0,0]=4 12626 B15R0.111 COCC(O)CNCCOCCOC(=O)C 34a_100000756049_200000083610 [0,2,0,0,0,0|2,0,0]=4 12627 B15R0.111 COCC(O)CSCCCCCOC(=O)C 62a_100000033007_100011215053 [0,2,0,0,0,0|1,0,0]=3 12628 B15R0.111 COCC(O)CSCCCCCOC(=O)C 62a_100011215053_100000033007 [0,2,0,0,0,0|1,0,0]=3 12629 B15R0.111 COCC(O)CSCCOCCOC(=O)C 62a_100011215053_200000083610 [0,2,0,0,0,0|2,0,0]=4 12630 B15R0.111 COCC(O)CSCCOCCOC(=O)C 62a_200000083610_100011215053 [0,2,0,0,0,0|2,0,0]=4 12631 B15R0.111 CSCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100011216314 [0,2,0,0,0,0|2,0,0]=4 12632 B15R0.111 CSCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100011216314 [0,2,0,0,0,0|1,1,0]=4 12633 B15R0.172 C=CC(=O)OCCCCCCNC(C)CC 2230a_100000209981_100009894100 [0,2,0,0,0,0|1,0,1]=4 12634 B15R0.172 C=CC(=O)OCCCCCCOC(C)CC 7a_100000210228_100009894100 [0,2,0,0,0,0|1,0,1]=4 12635 B15R0.172 C=CC(=O)OCCCCCCSC(C)CC 62a_100000758301_100009894100 [0,2,0,0,0,0|1,0,1]=4 12636 B15R0.172 C=CC(=O)OCCCCCCSC(C)CC 62a_100009894100_100000758301 [0,2,0,0,0,0|1,0,1]=4 12637 B15R0.172 C=CC(=O)OCCCCCOCC(C)CC 7a_200011023508_100000748023 [0,2,0,0,0,0|1,0,1]=4 12638 B15R0.172 C=CC(=O)OCCCCCOCC(O)CC 7a_200011023508_100011218378 [0,2,0,0,0,0|1,0,1]=4 12639 B15R0.172 C=CC(=O)OCCCCCOC[C@@H](C)CC 7a_200011023508_100009816398 [0,2,0,0,0,0|1,0,1]=4 12640 B15R0.172 CCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210202 [0,2,0,0,0,0|1,0,1]=4 12641 B15R0.172 CCC(=O)CCCCCCCCC(=O)OC 1458a_100000210414_100010282707 [0,2,0,0,0,0|1,0,1]=4 12642 B15R0.172 CCC(C)CCCCCOCCC(=O)NC 7a_200000035636_100000737683 [0,2,0,0,0,0|2,0,0]=4 12643 B15R0.172 CCC(C)CCCCCOCCC(=O)OC 7a_200000035636_100000204255 [0,2,0,0,0,0|2,0,0]=4 12644 B15R0.172 CCC(C)CCCOCCCCC(=O)OC 7a_100011216074_100000204269 [0,2,0,0,0,0|2,0,0]=4 12645 B15R0.172 CCC(C)CCNCCCCCC(=O)OC 2230a_100020591266_100009816466 [0,2,0,0,0,0|2,0,0]=4 12646 B15R0.172 CCC(C)CCOCCCCCC(=O)OC 7a_100011215188_100009816466 [0,2,0,0,0,0|2,0,0]=4 12647 B15R0.172 CCC(C)CNCCCCCCC(=O)OC 2230a_100020588543_100009815986 [0,2,0,0,0,0|2,0,0]=4 12648 B15R0.172 CCC(C)COCCCCCCC(=O)OC 34a_100009863599_100000748023 [0,2,0,0,0,0|2,0,0]=4 12649 B15R0.172 CCC(C)COCCCCCCC(=O)OC 7a_100009863599_100000748023 [0,2,0,0,0,0|2,0,0]=4 12650 B15R0.172 CCC(C)CSCCCCCCC(=O)OC 62a_100000748023_100009815986 [0,2,0,0,0,0|2,0,0]=4 12651 B15R0.172 CCC(C)CSCCCCCCC(=O)OC 62a_100009815986_100000748023 [0,2,0,0,0,0|2,0,0]=4 12652 B15R0.172 CCC(C)NCCCCCCCC(=O)OC 2230a_100000209981_100010004213 [0,2,0,0,0,0|2,0,0]=4 12653 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 34a_100011022521_100011215416 [0,2,0,0,0,0|2,0,0]=4 12654 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 7a_100000210228_100010004213 [0,2,0,0,0,0|2,0,0]=4 12655 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 7a_100011022521_100000758301 [0,2,0,0,0,0|2,0,0]=4 12656 B15R0.172 CCC(C)SCCCCCCCC(=O)OC 62a_100000758301_100010004213 [0,2,0,0,0,0|2,0,0]=4 12657 B15R0.172 CCC(C)SCCCCCCCC(=O)OC 62a_100010004213_100000758301 [0,2,0,0,0,0|2,0,0]=4 12658 B15R0.172 CCC(O)CNCCCCCCC(=O)OC 2230a_100011218483_100009815986 [0,2,0,0,0,0|2,0,0]=4 12659 B15R0.172 CCC(O)COCCCCCCC(=O)OC 34a_100009863599_100011218378 [0,2,0,0,0,0|2,0,0]=4 12660 B15R0.172 CCC(O)COCCCCCCC(=O)OC 7a_100009863599_100011218378 [0,2,0,0,0,0|2,0,0]=4 12661 B15R0.172 CCC(O)CSCCCCCCC(=O)OC 62a_100009815986_100011218378 [0,2,0,0,0,0|2,0,0]=4 12662 B15R0.172 CCC(O)CSCCCCCCC(=O)OC 62a_100011218378_100009815986 [0,2,0,0,0,0|2,0,0]=4 12663 B15R0.172 CCN(C)CCCCCCCCC(=O)OC 2230a_100000225621_100010282707 [0,2,0,0,0,0|2,0,0]=4 12664 B15R0.172 CCN(C)CCCCCCCCC(=O)OC 269982a_100000225621_100010282707 [0,2,0,0,0,0|2,0,0]=4 12665 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 34a_100009863599_100009816398 [0,2,0,0,0,0|2,0,0]=4 12666 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 7a_100009816381_100009815986 [0,2,0,0,0,0|2,0,0]=4 12667 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 7a_100009863599_100009816398 [0,2,0,0,0,0|2,0,0]=4 12668 B15R0.172 CC[C@H](C)CSCCCCCCC(=O)OC 62a_100009815986_100009816398 [0,2,0,0,0,0|2,0,0]=4 12669 B15R0.172 CC[C@H](C)CSCCCCCCC(=O)OC 62a_100009816398_100009815986 [0,2,0,0,0,0|2,0,0]=4 12670 B15R0.332 CC(=O)OCCCCCNCC(C)(C)CO 2230a_100020635058_100009813381 [0,2,0,0,0,0|2,0,0]=4 12671 B15R0.332 CC(=O)OCCCCCOCC(C)(C)CCl 7a_100011217199_100000033007 [0,2,0,0,0,0|2,0,0]=4 12672 B15R0.332 CC(=O)OCCCCCOCC(F)(F)CN 34a_100000703232_100000033007 [0,2,0,0,0,0|2,0,0]=4 12673 B15R0.332 CC(=O)OCCCCCSCC(C)(C)CO 62a_100000033007_100009813988 [0,2,0,0,0,0|2,0,0]=4 12674 B15R0.332 CC(=O)OCCCCCSCC(C)(C)CO 62a_100009813988_100000033007 [0,2,0,0,0,0|2,0,0]=4 12675 B15R0.332 CCC(C)(C)COCCCCCOC(=O)C 7a_100000765029_100000033007 [0,2,0,0,0,0|1,0,0]=3 12676 B15R0.332 CCC(C)(C)COCCOCCOC(=O)C 7a_100000765029_200000083610 [0,2,0,0,0,0|2,0,0]=4 12677 B15R0.332 CCS(=O)(=O)CCNCCCCOC(=O)C 34a_100000751051_100000033659 [0,2,0,0,0,0|2,0,0]=4 12678 B15R0.332 CCS(=O)(=O)CCOCCCCOC(=O)C 34a_100000073216_100000756660 [0,2,0,0,0,0|2,0,0]=4 12679 B15R0.332 CCS(=O)(=O)CCOCCCCOC(=O)C 34a_200011216379_100000033659 [0,2,0,0,0,0|2,0,0]=4 12680 B15R0.332 CCS(=O)(=O)CCOCCCCOC(=O)C 7a_100000073216_100000756660 [0,2,0,0,0,0|2,0,0]=4 12681 B15R0.332 CCS(=O)(=O)CCOCCCCOC(=O)C 7a_200011216379_100000033659 [0,2,0,0,0,0|2,0,0]=4 12682 B15R0.332 CCS(=O)(=O)CCSCCCCOC(=O)C 62a_100000033659_100000756660 [0,2,0,0,0,0|2,0,0]=4 12683 B15R0.332 CCS(=O)(=O)CCSCCCCOC(=O)C 62a_100000756660_100000033659 [0,2,0,0,0,0|2,0,0]=4 12684 B15R0.332 COC(C)(C)CCOCCCCOC(=O)C 7a_100000699976_100000033659 [0,2,0,0,0,0|2,0,0]=4 12685 B15R0.332 COC(C)(C)CNCCCCCOC(=O)C 2230a_100000763424_100009813381 [0,2,0,0,0,0|2,0,0]=4 12686 B15R0.332 COC(C)(C)CSCCCCCOC(=O)C 62a_100000033007_100000701081 [0,2,0,0,0,0|2,0,0]=4 12687 B15R0.332 COC(C)(C)CSCCCCCOC(=O)C 62a_100000701081_100000033007 [0,2,0,0,0,0|2,0,0]=4 12688 B15R0.1698 CCC(=O)C(C)SCCCCCOC(=O)C 62a_100000033007_100000742827 [0,2,0,0,0,0|1,0,1]=4 12689 B15R0.1698 CCC(=O)C(C)SCCCCCOC(=O)C 62a_100000742827_100000033007 [0,2,0,0,0,0|1,0,1]=4 12690 B15R0.1698 CCC(C)C(C)NCCCCCNC(=O)C 269862a_200012022750_100000210599 [0,2,0,0,0,0|2,0,0]=4 12691 B15R0.1698 CCC(C)C(C)NCCCCCNC(=O)C 270004a_200012022750_100000210599 [0,2,0,0,0,0|2,0,0]=4 12692 B15R0.1698 CCC(C)C(C)OCCCCCOC(=O)C 7a_100011215189_100000033007 [0,2,0,0,0,0|1,0,0]=3 12693 B15R0.1698 CCC(C)C(C)OCCOCCOC(=O)C 7a_100011215189_200000083610 [0,2,0,0,0,0|2,0,0]=4 12694 B15R0.1698 CCN(C)C(C)COCCCCOC(=O)C 7a_100000732741_100000033659 [0,2,0,0,0,0|2,0,0]=4 12695 B15R0.1747 CCC(CC)CNCCCCCNC(=O)C 2230a_200012022750_100011215472 [0,2,0,0,0,0|2,0,0]=4 12696 B15R0.1747 CCC(CC)CNCCCCCNC(=O)C 269862a_200012022750_100000211137 [0,2,0,0,0,0|2,0,0]=4 12697 B15R0.1747 CCC(CC)CNCCCCCNC(=O)C 270004a_200012022750_100000211137 [0,2,0,0,0,0|2,0,0]=4 12698 B15R0.1747 CCC(CC)CNCCCCCNC(=O)C 34a_200012022750_100011215472 [0,2,0,0,0,0|2,0,0]=4 12699 B15R0.1747 CCC(CC)CNCCCCCOC(=O)C 2230a_100102946423_100009813381 [0,2,0,0,0,0|1,0,0]=3 12700 B15R0.1747 CCC(CC)CNCCOCCOC(=O)C 2230a_100102946423_200000083610 [0,2,0,0,0,0|2,0,0]=4 12701 B15R0.1747 CCC(CC)COCCCCCOC(=O)C 7a_100000703878_100000033007 [0,2,0,0,0,0|1,0,0]=3 12702 B15R0.1747 CCC(CC)COCCOCCOC(=O)C 7a_100000703878_200000083610 [0,2,0,0,0,0|2,0,0]=4 12703 B15R0.1747 CCC(CC)CSCCCCCOC(=O)C 62a_100000033007_100011215472 [0,2,0,0,0,0|1,0,0]=3 12704 B15R0.1747 CCC(CC)CSCCCCCOC(=O)C 62a_100011215472_100000033007 [0,2,0,0,0,0|1,0,0]=3 12705 B15R0.1747 CCC(CC)CSCCOCCOC(=O)C 62a_100011215472_200000083610 [0,2,0,0,0,0|2,0,0]=4 12706 B15R0.1747 CCC(CC)CSCCOCCOC(=O)C 62a_200000083610_100011215472 [0,2,0,0,0,0|2,0,0]=4 12707 B15R0.1747 CCC(CC)NCCCCCCNC(=O)C 270004a_200011996284_100000210860 [0,2,0,0,0,0|2,0,0]=4 12708 B15R0.1747 CCC(CC)NCCCCCCSC(=O)C 270004a_100000704104_100000210860 [0,2,0,0,0,0|1,1,0]=4 12709 B15R0.1747 CCC(COCCCCCOC(=O)C)OC 34a_100011934954_100000033007 [0,2,0,0,0,0|1,0,0]=3 12710 B15R0.1747 CCC(COCCCCCOC(=O)C)OC 7a_100011934954_100000033007 [0,2,0,0,0,0|1,0,0]=3 12711 B15R0.1747 CCC(COCCOCCOC(=O)C)OC 34a_100011934954_200000083610 [0,2,0,0,0,0|2,0,0]=4 12712 B15R0.1747 CCC(COCCOCCOC(=O)C)OC 7a_100011934954_200000083610 [0,2,0,0,0,0|2,0,0]=4 12713 B15R0.1747 CCN(CC)CCCCOCCOC(=O)C 7a_100011305530_100009814007 [0,2,0,0,0,0|2,0,0]=4 12714 B15R0.1747 CCN(CC)CCCOCCCOC(=O)C 7a_100000212844_100000042594 [0,2,0,0,0,0|2,0,0]=4 12715 B15R0.1747 CCN(CC)CCCSCCCOC(=O)C 62a_100000042594_100000709985 [0,2,0,0,0,0|2,0,0]=4 12716 B15R0.1747 CCN(CC)CCOCCCCOC(=O)C 7a_100000073216_100000700428 [0,2,0,0,0,0|2,0,0]=4 12717 B15R0.1747 CCN(CC)CCOCCCCOC(=O)C 7a_100016990331_100000033659 [0,2,0,0,0,0|2,0,0]=4 12718 B15R0.1747 CCN(CC)CCSCCCCOC(=O)C 62a_100000033659_100000700428 [0,2,0,0,0,0|2,0,0]=4 12719 B15R0.1747 CCN(CC)COCCCCCOC(=O)C 7a_200015374951_100000033007 [0,2,0,0,0,0|2,0,0]=4 12720 B15R0.1747 CCN(CCCCOCCOC(=O)C)N=O 34a_200000035056_100009814007 [0,2,0,0,0,0|2,0,0]=4 12721 B15R0.1747 COC(CCCSCCCOC(=O)C)OC 62a_100000042594_100000069011 [0,2,0,0,0,0|2,0,0]=4 12722 B15R0.1747 COC(CCCSCCCOC(=O)C)OC 62a_100000069011_100000042594 [0,2,0,0,0,0|2,0,0]=4 12723 B15R0.1747 COC(CCOCCCCOC(=O)C)OC 34a_100000073216_100000139399 [0,2,0,0,0,0|2,0,0]=4 12724 B15R0.1747 COC(CCOCCCCOC(=O)C)OC 7a_100000073216_100009813347 [0,2,0,0,0,0|2,0,0]=4 12725 B15R0.1747 COC(CCSCCCCOC(=O)C)OC 62a_100000033659_100000139399 [0,2,0,0,0,0|2,0,0]=4 12726 B15R0.1747 COC(CCSCCCCOC(=O)C)OC 62a_100000139399_100000033659 [0,2,0,0,0,0|2,0,0]=4 12727 B15R0.1747 COC(COCCCCCOC(=O)C)OC 34a_100011216393_100000033007 [0,2,0,0,0,0|2,0,0]=4 12728 B15R0.1747 COC(CSCCCCCOC(=O)C)OC 62a_100000033007_100000751394 [0,2,0,0,0,0|2,0,0]=4 12729 B15R0.1747 COC(CSCCCCCOC(=O)C)OC 62a_100000751394_100000033007 [0,2,0,0,0,0|2,0,0]=4 12730 B15R0.2076 CC(=O)OCC(O)COCCC[C@@H](C)CN 34a_100160569302_200000139349 [0,2,0,0,0,0|2,0,0]=4 12731 B15R0.2076 CCC(C)CCCOCC(C)CSC(=O)C 7a_100011216074_200000116872 [0,2,0,0,0,0|1,1,0]=4 12732 B15R0.2076 CCC(C)CCCOCC(O)COC(=O)C 7a_100011216074_200000139349 [0,2,0,0,0,0|1,0,0]=3 12733 B15R0.2076 CCN(C)CCCSCC(O)COC(=O)C 62a_200000139349_100015186262 [0,2,0,0,0,0|2,0,0]=4 12734 B15R0.81 C#C/C(=C\COCCCCCCCCC)/C 34a_100016990848_100011214924 [0,2,0,0,0,0|2,0,0]=4 12735 B15R0.81 C#CC(=O)CCCCCCCCCCCC 1458a_100000211873_100000759014 [0,2,0,0,0,0|1,0,1]=4 12736 B15R0.81 C#CC(=O)CCCCCCCCCCCO 1458a_100000211873_100009812471 [0,2,0,0,0,0|1,0,1]=4 12737 B15R0.81 C#CC(C)OCCCCCCCCCCBr 34a_100009813290_200000035995 [0,2,0,0,0,0|1,0,1]=4 12738 B15R0.81 C#CC(C)OCCCCCCCCCCC 34a_100000210809_200000035995 [0,2,0,0,0,0|1,0,1]=4 12739 B15R0.81 C#CC(C)OCCCCCCCCCCCl 34a_200000033068_200000035995 [0,2,0,0,0,0|1,0,1]=4 12740 B15R0.81 C#CC(C)OCCCCCCCCCCN 34a_100000066964_200000035995 [0,2,0,0,0,0|1,0,1]=4 12741 B15R0.81 C#CCCCCCCCCOCC(=O)CC 7a_100000065265_100000747405 [0,2,0,0,0,0|0,0,2]=4 12742 B15R0.81 C#CCCCCCCCCOCC(=O)NC 34a_100000065265_100000183359 [0,2,0,0,0,0|0,0,2]=4 12743 B15R0.81 C#CCCCCCCCCOCC(=O)NC 7a_100000065265_100000183359 [0,2,0,0,0,0|0,0,2]=4 12744 B15R0.81 C#CCCCCCCCCOCC(=O)OC 34a_100000065265_100000747449 [0,2,0,0,0,0|0,0,2]=4 12745 B15R0.81 C#CCCCCCCCCOCC(=O)OC 7a_100000065265_100000747449 [0,2,0,0,0,0|0,0,2]=4 12746 B15R0.81 C#CCCCCCCCSCOC(=O)OC 62a_100153394163_100000139417 [0,2,0,0,0,0|0,0,2]=4 12747 B15R0.81 C#CCCCCCCOCCOC(=O)CC 7a_200000031056_100012276617 [0,2,0,0,0,0|0,0,2]=4 12748 B15R0.81 C#CCCCCCCOCCOC(=O)NC 34a_100011217361_200011997002 [0,2,0,0,0,0|0,0,2]=4 12749 B15R0.81 C#CCCCCCCOCCOC(=O)NC 7a_100011217361_200011997002 [0,2,0,0,0,0|0,0,2]=4 12750 B15R0.81 C#CCCCCCCOCCOC(=O)OC 34a_100010262106_100012276617 [0,2,0,0,0,0|0,0,2]=4 12751 B15R0.81 C#CCCCCCCSCCOC(=O)NC 62a_100012276617_200011997002 [0,2,0,0,0,0|0,0,2]=4 12752 B15R0.81 C#CCCCCCCSCCOC(=O)NC 62a_200011997002_100012276617 [0,2,0,0,0,0|0,0,2]=4 12753 B15R0.81 C#C[C@@H](C)OCCCCCCCCCCC 34a_100009815206_100011215454 [0,2,0,0,0,0|1,0,1]=4 12754 B15R0.81 C#C[C@@H](C)OCCCCCCCCCCC 7a_100009815206_100011215454 [0,2,0,0,0,0|1,0,1]=4 12755 B15R0.81 C#C[C@@H](C)OCCCCCCCCCCO 34a_100009815206_100009813290 [0,2,0,0,0,0|1,0,1]=4 12756 B15R0.81 C#C[C@@H](C)OCCCCCCCCCCO 7a_100009815206_100009813290 [0,2,0,0,0,0|1,0,1]=4 12757 B15R0.81 C=C(C#N)COCCCCCCCCCC 34a_100000210711_100000694840 [0,2,0,0,0,0|1,0,1]=4 12758 B15R0.81 C=CC(=O)CCCCCCCCCCCC 1458a_100000185746_100000759014 [0,2,0,0,0,0|1,0,1]=4 12759 B15R0.81 C=CC(=O)CCCCCCCCCCCO 1458a_100000185746_100009812471 [0,2,0,0,0,0|1,0,1]=4 12760 B15R0.81 C=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000185746 [0,2,0,0,0,0|1,0,1]=4 12761 B15R0.81 C=CC(=O)NCCCCCCCCCCC 240690a_200011215754_200121576911 [0,2,0,0,0,0|1,0,1]=4 12762 B15R0.81 C=CC(=O)NCCCCCCCCCCO 240690a_100000066964_200121576911 [0,2,0,0,0,0|1,0,1]=4 12763 B15R0.81 C=CC(=O)NCCCCOCCCCCC 34a_100014118770_100000210314 [0,2,0,0,0,0|1,0,1]=4 12764 B15R0.81 C=CC(=O)NCCNCCCCCCCC 2230a_114873766552_100000210759 [0,2,0,0,0,0|1,0,1]=4 12765 B15R0.81 C=CC(=O)NCCOCCCCCCCC 34a_100011304386_100000210759 [0,2,0,0,0,0|1,0,1]=4 12766 B15R0.81 C=CC(=O)OCCCCCCNCCCC 2230a_100000102301_100009894100 [0,2,0,0,0,0|0,0,1]=3 12767 B15R0.81 C=CC(=O)OCCCCCCNCCCC 7a_106832991798_100009894100 [0,2,0,0,0,0|0,0,1]=3 12768 B15R0.81 C=CC(=O)OCCCCCCNCCCF 2230a_100015189416_100009894100 [0,2,0,0,0,0|1,0,1]=4 12769 B15R0.81 C=CC(=O)OCCCCCCNCCCF 34a_100015189416_100009894100 [0,2,0,0,0,0|1,0,1]=4 12770 B15R0.81 C=CC(=O)OCCCCCCNCCOC 2230a_100000209980_100009894100 [0,2,0,0,0,0|1,0,1]=4 12771 B15R0.81 C=CC(=O)OCCCCCCNCCSC 2230a_100020590264_100009894100 [0,2,0,0,0,0|1,0,1]=4 12772 B15R0.81 C=CC(=O)OCCCCCCOCCCBr 34a_100011217188_100009894100 [0,2,0,0,0,0|1,0,1]=4 12773 B15R0.81 C=CC(=O)OCCCCCCOCCCC 34a_100000210227_100009894100 [0,2,0,0,0,0|0,0,1]=3 12774 B15R0.81 C=CC(=O)OCCCCCCOCCCC 7a_100000210227_100009894100 [0,2,0,0,0,0|0,0,1]=3 12775 B15R0.81 C=CC(=O)OCCCCCCOCCCCl 34a_100000230001_100009894100 [0,2,0,0,0,0|1,0,1]=4 12776 B15R0.81 C=CC(=O)OCCCCCCOCCCF 34a_100000759539_100009894100 [0,2,0,0,0,0|1,0,1]=4 12777 B15R0.81 C=CC(=O)OCCCCCCOCCCN 34a_100000182051_100009894100 [0,2,0,0,0,0|1,0,1]=4 12778 B15R0.81 C=CC(=O)OCCCCCCOCCOC 34a_100000210237_100009894100 [0,2,0,0,0,0|1,0,1]=4 12779 B15R0.81 C=CC(=O)OCCCCCCOCCSC 34a_100000230434_100009894100 [0,2,0,0,0,0|1,0,1]=4 12780 B15R0.81 C=CC(=O)OCCCCCCOCCSC 7a_100000230434_100009894100 [0,2,0,0,0,0|1,0,1]=4 12781 B15R0.81 C=CC(=O)OCCCCCCSCCCC 62a_100000210211_100009894100 [0,2,0,0,0,0|0,0,1]=3 12782 B15R0.81 C=CC(=O)OCCCCCCSCCCC 62a_100009894100_100000210210 [0,2,0,0,0,0|0,0,1]=3 12783 B15R0.81 C=CC(=O)OCCCCCCSCCCF 62a_100009894100_100011934791 [0,2,0,0,0,0|1,0,1]=4 12784 B15R0.81 C=CC(=O)OCCCCCCSCCCF 62a_100011934791_100009894100 [0,2,0,0,0,0|1,0,1]=4 12785 B15R0.81 C=CC(=O)OCCCCCCSCCCO 62a_100009894100_100011215043 [0,2,0,0,0,0|1,0,1]=4 12786 B15R0.81 C=CC(=O)OCCCCCCSCCCO 62a_100011215043_100009894100 [0,2,0,0,0,0|1,0,1]=4 12787 B15R0.81 C=CC(=O)OCCCCCCSCCOC 62a_100000233755_100009894100 [0,2,0,0,0,0|1,0,1]=4 12788 B15R0.81 C=CC(=O)OCCCCCCSCCOC 62a_100009894100_100000233755 [0,2,0,0,0,0|1,0,1]=4 12789 B15R0.81 C=CC(=O)OCCCCCCSCCSC 62a_100000212216_100009894100 [0,2,0,0,0,0|1,0,1]=4 12790 B15R0.81 C=CC(=O)OCCCCCCSCCSC 62a_100009894100_100000751147 [0,2,0,0,0,0|1,0,1]=4 12791 B15R0.81 C=CC(=O)OCCCCCCSCOCC 62a_100000739092_100009894100 [0,2,0,0,0,0|1,0,1]=4 12792 B15R0.81 C=CC(=O)OCCCCCCSCOCC 62a_100009894100_100000739092 [0,2,0,0,0,0|1,0,1]=4 12793 B15R0.81 C=CC(=O)OCCCCCOCCCCC 7a_200011023508_100000210326 [0,2,0,0,0,0|0,0,1]=3 12794 B15R0.81 C=CC(=O)OCCCCCOCCCCF 7a_200011023508_100000729493 [0,2,0,0,0,0|1,0,1]=4 12795 B15R0.81 C=CC(=O)OCCCCCOCCCCO 7a_200011023508_100000210776 [0,2,0,0,0,0|1,0,1]=4 12796 B15R0.81 C=CC(=O)OCCCCCOCCCOC 7a_200011023508_100000740836 [0,2,0,0,0,0|1,0,1]=4 12797 B15R0.81 C=CC(=O)OCCCCCOCCOCC 7a_200011023508_100011215890 [0,2,0,0,0,0|1,0,1]=4 12798 B15R0.81 C=CC(=O)OCCCCCOCCSCC 7a_200011023508_100000757381 [0,2,0,0,0,0|1,0,1]=4 12799 B15R0.81 C=CC(=O)OCCNCCCCCCCC 2230a_100000229939_100009813456 [0,2,0,0,0,0|0,0,1]=3 12800 B15R0.81 C=CC(=O)OCCNCCCCCCCC 34a_100000229939_100009813456 [0,2,0,0,0,0|0,0,1]=3 12801 B15R0.81 C=CC(=O)OCCNCCCCCCCO 2230a_100011996573_100009813456 [0,2,0,0,0,0|1,0,1]=4 12802 B15R0.81 C=CC(=O)OCCNCCCCCCCO 34a_100011996573_100009813456 [0,2,0,0,0,0|1,0,1]=4 12803 B15R0.81 C=CC(=O)OCCNCCCOCCCC 2230a_200000211371_100009813456 [0,2,0,0,0,0|1,0,1]=4 12804 B15R0.81 C=CC(=O)OCCNCCCOCCCC 34a_200000211371_100009813456 [0,2,0,0,0,0|1,0,1]=4 12805 B15R0.81 C=CC(=O)OCCOCCCCCCCBr 34a_100000760002_100009813456 [0,2,0,0,0,0|1,0,1]=4 12806 B15R0.81 C=CC(=O)OCCOCCCCCCCBr 7a_100000760002_100009813456 [0,2,0,0,0,0|1,0,1]=4 12807 B15R0.81 C=CC(=O)OCCOCCCCCCCC 34a_100000210232_100009813456 [0,2,0,0,0,0|0,0,1]=3 12808 B15R0.81 C=CC(=O)OCCOCCCCCCCC 7a_100000210232_100009813456 [0,2,0,0,0,0|0,0,1]=3 12809 B15R0.81 C=CC(=O)OCCOCCCCCCCN 34a_100011996573_100009813456 [0,2,0,0,0,0|1,0,1]=4 12810 B15R0.81 C=CC(=O)OCCOCCCCCCOC 34a_200012092642_100009813456 [0,2,0,0,0,0|1,0,1]=4 12811 B15R0.81 C=CC(=O)OCCOCCCCCCOC 7a_200012092642_100009813456 [0,2,0,0,0,0|1,0,1]=4 12812 B15R0.81 C=CC(=O)OCCOCCCOCCCC 34a_200011215613_100009813456 [0,2,0,0,0,0|1,0,1]=4 12813 B15R0.81 C=CC(=O)OCCOCCCOCCCC 7a_200011215613_100009813456 [0,2,0,0,0,0|1,0,1]=4 12814 B15R0.81 C=CC(=O)OCCOCCNCCCCC 34a_100000224656_100009813456 [0,2,0,0,0,0|1,0,1]=4 12815 B15R0.81 C=CC(=O)OCCOCCOCCCCC 34a_100011215259_100009813456 [0,2,0,0,0,0|1,0,1]=4 12816 B15R0.81 C=CC(=O)OCCOCCOCCCCC 7a_100011215259_100009813456 [0,2,0,0,0,0|1,0,1]=4 12817 B15R0.81 C=CC(=O)OCCSCCCCCCCC 62a_100000210759_100009813456 [0,2,0,0,0,0|0,0,1]=3 12818 B15R0.81 C=CC(=O)OCCSCCCCCCCC 62a_100009813456_100000210317 [0,2,0,0,0,0|0,0,1]=3 12819 B15R0.81 C=CC(=O)OCCSCCCCCCCO 62a_100000760002_100009813456 [0,2,0,0,0,0|1,0,1]=4 12820 B15R0.81 C=CC(=O)OCCSCCCCCCCO 62a_100009813456_100000760002 [0,2,0,0,0,0|1,0,1]=4 12821 B15R0.81 C=CC(=O)OCCSCCCCCCOC 62a_100009813456_100011998445 [0,2,0,0,0,0|1,0,1]=4 12822 B15R0.81 C=CC(=O)OCCSCCCCCCOC 62a_100011998445_100009813456 [0,2,0,0,0,0|1,0,1]=4 12823 B15R0.81 C=CC(C)COCCCCCCCCCC 34a_100011215527_100000210320 [0,2,0,0,0,0|1,0,1]=4 12824 B15R0.81 C=CC(C)COCCCCCCCCCC 7a_100011215527_100000210320 [0,2,0,0,0,0|1,0,1]=4 12825 B15R0.81 C=CC(C)OCCCCCCCCCCC 34a_100000695699_100011215454 [0,2,0,0,0,0|1,0,1]=4 12826 B15R0.81 C=CC(C)OCCCCCCCCCCO 34a_100000695699_100009813290 [0,2,0,0,0,0|1,0,1]=4 12827 B15R0.81 C=CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011093070 [0,2,0,0,0,0|1,0,1]=4 12828 B15R0.81 C=CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011093070 [0,2,0,0,0,0|1,0,1]=4 12829 B15R0.81 C=CCCCCCCCCCNC(=O)CC 11a_100000081888_100000210414 [0,2,0,0,0,0|1,0,1]=4 12830 B15R0.81 C=CCCCCCCCCCNC(=O)CC 1626a_100000081888_100000210414 [0,2,0,0,0,0|1,0,1]=4 12831 B15R0.81 C=CCCCCCCCCCNC(=O)CC 240690a_100000081888_100000210414 [0,2,0,0,0,0|1,0,1]=4 12832 B15R0.81 C=CCCCCCCCCCNC(=O)CC 527a_100000081888_100000210414 [0,2,0,0,0,0|1,0,1]=4 12833 B15R0.81 C=CCCCCCCCCCNC(=O)CO 240690a_100000081888_100000210174 [0,2,0,0,0,0|1,0,1]=4 12834 B15R0.81 C=CCCCCCCCCCNC(=O)CO 527a_100000081888_100000210174 [0,2,0,0,0,0|1,0,1]=4 12835 B15R0.81 C=CCCCCCCCCCNC(=O)NC 2708a_100000081888_106832991635 [0,2,0,0,0,0|1,0,1]=4 12836 B15R0.81 C=CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000081888 [0,2,0,0,0,0|1,0,1]=4 12837 B15R0.81 C=CCCCCCCCCCNC(=O)NC 273464a_100000081888_100102657272 [0,2,0,0,0,0|1,0,1]=4 12838 B15R0.81 C=CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000081888 [0,2,0,0,0,0|1,0,1]=4 12839 B15R0.81 C=CCCCCCCCCCNC(=O)NC 512a_100000081888_100102657272 [0,2,0,0,0,0|1,0,1]=4 12840 B15R0.81 C=CCCCCCCCCCNC(=O)NC 512a_106832991638_100000081888 [0,2,0,0,0,0|1,0,1]=4 12841 B15R0.81 C=CCCCCCCCCOCC(=O)CC 34a_100000725409_100011933949 [0,2,0,0,0,0|0,0,2]=4 12842 B15R0.81 C=CCCCCCCCCOCC(=O)CC 7a_100011215194_100000747405 [0,2,0,0,0,0|0,0,2]=4 12843 B15R0.81 C=CCCCCCCCCOCC(=O)NC 34a_100000750040_100011933949 [0,2,0,0,0,0|0,0,2]=4 12844 B15R0.81 C=CCCCCCCCCOCC(=O)NC 34a_100011215194_100000183359 [0,2,0,0,0,0|0,0,2]=4 12845 B15R0.81 C=CCCCCCCCCOCC(=O)NC 7a_100011215194_100000183359 [0,2,0,0,0,0|0,0,2]=4 12846 B15R0.81 C=CCCCCCCCCOCC(=O)OC 34a_100011215194_100000747449 [0,2,0,0,0,0|0,0,2]=4 12847 B15R0.81 C=CCCCCCCCCOCC(=O)OC 7a_100011215194_100000747449 [0,2,0,0,0,0|0,0,2]=4 12848 B15R0.81 C=CCCCCCCCSCOC(=O)OC 62a_100012355270_100000139417 [0,2,0,0,0,0|0,0,2]=4 12849 B15R0.81 C=CCCCCCCOCCOC(=O)CC 7a_200000031056_100011215473 [0,2,0,0,0,0|0,0,2]=4 12850 B15R0.81 C=CCCCCCCOCCOC(=O)NC 34a_200011216477_200011997002 [0,2,0,0,0,0|0,0,2]=4 12851 B15R0.81 C=CCCCCCCOCCOC(=O)NC 7a_200011216477_200011997002 [0,2,0,0,0,0|0,0,2]=4 12852 B15R0.81 C=CCCCCCCOCCOC(=O)OC 34a_100010262106_100011215473 [0,2,0,0,0,0|0,0,2]=4 12853 B15R0.81 C=CCCCCCCSCCOC(=O)NC 62a_100011215473_200011997002 [0,2,0,0,0,0|0,0,2]=4 12854 B15R0.81 C=CCCCCCCSCCOC(=O)NC 62a_200011997002_100011215473 [0,2,0,0,0,0|0,0,2]=4 12855 B15R0.81 CC(C#N)OCCCCCCCCCCBr 7a_100009813290_100000703298 [0,2,0,0,0,0|1,0,1]=4 12856 B15R0.81 CC(C#N)OCCCCCCCCCCCl 7a_200000033068_100000703298 [0,2,0,0,0,0|1,0,1]=4 12857 B15R0.81 CC(C#N)OCCCCCCCCCCO 34a_100011218135_100009813290 [0,2,0,0,0,0|1,0,1]=4 12858 B15R0.81 CC(CF)OCCCCCCCCCCO 34a_100016041109_100009813290 [0,2,0,0,0,0|1,0,1]=4 12859 B15R0.81 CC(CF)OCCCCCCCCCCO 7a_100016041109_100009813290 [0,2,0,0,0,0|1,0,1]=4 12860 B15R0.81 CC(CN)OCCCCCCCCCCO 34a_100000210904_100009813290 [0,2,0,0,0,0|1,0,1]=4 12861 B15R0.81 CC(CO)OCCCCCCCCCCBr 34a_100009813290_100012180447 [0,2,0,0,0,0|0,0,2]=4 12862 B15R0.81 CC(CO)OCCCCCCCCCCBr 7a_100009813290_100012180447 [0,2,0,0,0,0|0,0,2]=4 12863 B15R0.81 CC(CO)OCCCCCCCCCCCl 34a_200000033068_100012180447 [0,2,0,0,0,0|0,0,2]=4 12864 B15R0.81 CC(CO)OCCCCCCCCCCCl 7a_200000033068_100012180447 [0,2,0,0,0,0|0,0,2]=4 12865 B15R0.81 CC(CO)OCCCCCCCCCCN 34a_100000066964_100012180447 [0,2,0,0,0,0|0,0,2]=4 12866 B15R0.81 CC/C=C\CCCCOCCOC(=O)NC 34a_100016287862_200011997002 [0,2,0,0,0,0|0,0,2]=4 12867 B15R0.81 CC/C=C\CCCCOCCOC(=O)NC 7a_100016287862_200011997002 [0,2,0,0,0,0|0,0,2]=4 12868 B15R0.81 CCC#CCCCCCCOCC(=O)CC 34a_100000725409_200000036426 [0,2,0,0,0,0|0,0,2]=4 12869 B15R0.81 CCC#CCCCCCCOCC(=O)NC 34a_100000750040_200000036426 [0,2,0,0,0,0|0,0,2]=4 12870 B15R0.81 CCC(=O)CCCCCCCCCCCO 1458a_100000210414_100009812471 [0,2,0,0,0,0|1,0,0]=3 12871 B15R0.81 CCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747405 [0,2,0,0,0,0|1,0,0]=3 12872 B15R0.81 CCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747405 [0,2,0,0,0,0|1,0,0]=3 12873 B15R0.81 CCC(=O)COCCCCCCCCCO 34a_100000725409_100009813782 [0,2,0,0,0,0|1,0,0]=3 12874 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100000747405_100009813782 [0,2,0,0,0,0|1,1,0]=4 12875 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747405 [0,2,0,0,0,0|1,1,0]=4 12876 B15R0.81 CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210414 [0,2,0,0,0,0|1,0,0]=3 12877 B15R0.81 CCC(=O)NCCNCCCCCCCO 34a_100132302217_100000760002 [0,2,0,0,0,0|2,0,0]=4 12878 B15R0.81 CCC(=O)NCCNCCCCCCOC 34a_100132302217_100011998445 [0,2,0,0,0,0|2,0,0]=4 12879 B15R0.81 CCC(=O)NCCOCCCCCCCO 34a_200000158885_100000760002 [0,2,0,0,0,0|2,0,0]=4 12880 B15R0.81 CCC(=O)NCCOCCCCCCCO 7a_200000158885_100000760002 [0,2,0,0,0,0|2,0,0]=4 12881 B15R0.81 CCC(=O)NCCOCCCCCCOC 34a_200000158885_100011998445 [0,2,0,0,0,0|2,0,0]=4 12882 B15R0.81 CCC(=O)NCCOCCCCCCOC 7a_200000158885_100011998445 [0,2,0,0,0,0|2,0,0]=4 12883 B15R0.81 CCC(=O)OCCOCCCCCCC#N 7a_200000031056_100009813337 [0,2,0,0,0,0|1,0,1]=4 12884 B15R0.81 CCC(=O)OCCOCCCCCCCO 7a_200000031056_100000760002 [0,2,0,0,0,0|1,0,0]=3 12885 B15R0.81 CCC(=O)OCCOCCCCCCOC 7a_200000031056_100011998445 [0,2,0,0,0,0|1,0,0]=3 12886 B15R0.81 CCC(=O)OCCOCCCOCCOC 7a_200000031056_100011216529 [0,2,0,0,0,0|2,0,0]=4 12887 B15R0.81 CCC(C)OCCCCCCCCCCBr 34a_100009813290_100011215416 [0,2,0,0,0,0|1,0,1]=4 12888 B15R0.81 CCC(C)OCCCCCCCCCCBr 7a_100009813290_100000758301 [0,2,0,0,0,0|1,0,1]=4 12889 B15R0.81 CCC(C)OCCCCCCCCCCCl 34a_200000033068_100011215416 [0,2,0,0,0,0|1,0,1]=4 12890 B15R0.81 CCC(C)OCCCCCCCCCCCl 7a_200000033068_100000758301 [0,2,0,0,0,0|1,0,1]=4 12891 B15R0.81 CCC(C)OCCCCCCCCCCN 34a_100000066964_100011215416 [0,2,0,0,0,0|1,0,1]=4 12892 B15R0.81 CCC(C)OCCCCCCCCCCO 7a_100000210228_100009813290 [0,2,0,0,0,0|1,0,1]=4 12893 B15R0.81 CCCC/C=C/CCCCOCC(=O)CC 7a_200020645093_100000747405 [0,2,0,0,0,0|0,0,2]=4 12894 B15R0.81 CCCC/C=C/CCCCOCC(=O)NC 34a_200020645093_100000183359 [0,2,0,0,0,0|0,0,2]=4 12895 B15R0.81 CCCC/C=C/CCCCOCC(=O)NC 7a_200020645093_100000183359 [0,2,0,0,0,0|0,0,2]=4 12896 B15R0.81 CCCC/C=C/CCCCOCC(=O)OC 34a_200020645093_100000747449 [0,2,0,0,0,0|0,0,2]=4 12897 B15R0.81 CCCC/C=C/CCCCOCC(=O)OC 7a_200020645093_100000747449 [0,2,0,0,0,0|0,0,2]=4 12898 B15R0.81 CCCC/C=C\CCOCCOC(=O)NC 34a_200016286491_200011997002 [0,2,0,0,0,0|0,0,2]=4 12899 B15R0.81 CCCC/C=C\CCOCCOC(=O)NC 7a_200016286491_200011997002 [0,2,0,0,0,0|0,0,2]=4 12900 B15R0.81 CCCCC#CCCCCCCC(=O)CC 1458a_100000210414_200000043322 [0,2,0,0,0,0|1,0,1]=4 12901 B15R0.81 CCCCC#CCCCCCCC(=O)CO 1458a_100000210174_200000043322 [0,2,0,0,0,0|1,0,1]=4 12902 B15R0.81 CCCCC#CCCCCOCC(=O)CC 7a_200000066234_100000747405 [0,2,0,0,0,0|0,0,2]=4 12903 B15R0.81 CCCCC#CCCCCOCC(=O)NC 34a_200000066234_100000183359 [0,2,0,0,0,0|0,0,2]=4 12904 B15R0.81 CCCCC#CCCCCOCC(=O)NC 7a_200000066234_100000183359 [0,2,0,0,0,0|0,0,2]=4 12905 B15R0.81 CCCCC#CCCCCOCC(=O)OC 34a_200000066234_100000747449 [0,2,0,0,0,0|0,0,2]=4 12906 B15R0.81 CCCCC#CCCCCOCC(=O)OC 7a_200000066234_100000747449 [0,2,0,0,0,0|0,0,2]=4 12907 B15R0.81 CCCCC#CCCCSCOC(=O)OC 62a_200000047210_100000139417 [0,2,0,0,0,0|0,0,2]=4 12908 B15R0.81 CCCCC#CCCOCCOC(=O)NC 34a_100000037610_200011997002 [0,2,0,0,0,0|0,0,2]=4 12909 B15R0.81 CCCCC#CCCOCCOC(=O)NC 7a_100000037610_200011997002 [0,2,0,0,0,0|0,0,2]=4 12910 B15R0.81 CCCCC/C=C/COCCOC(=O)NC 34a_100016258190_200011997002 [0,2,0,0,0,0|0,0,2]=4 12911 B15R0.81 CCCCC/C=C/COCCOC(=O)NC 7a_100016258190_200011997002 [0,2,0,0,0,0|0,0,2]=4 12912 B15R0.81 CCCCC/C=C\CCCOCC(=O)CC 7a_100020655193_100000747405 [0,2,0,0,0,0|0,0,2]=4 12913 B15R0.81 CCCCC/C=C\CCCOCC(=O)NC 34a_100020655193_100000183359 [0,2,0,0,0,0|0,0,2]=4 12914 B15R0.81 CCCCC/C=C\CCCOCC(=O)NC 7a_100020655193_100000183359 [0,2,0,0,0,0|0,0,2]=4 12915 B15R0.81 CCCCC/C=C\CCCOCC(=O)OC 34a_100020655193_100000747449 [0,2,0,0,0,0|0,0,2]=4 12916 B15R0.81 CCCCC/C=C\CCCOCC(=O)OC 7a_100020655193_100000747449 [0,2,0,0,0,0|0,0,2]=4 12917 B15R0.81 CCCCCC#CCOCCOC(=O)CC 7a_200000031056_100009816472 [0,2,0,0,0,0|0,0,2]=4 12918 B15R0.81 CCCCCC#CCOCCOC(=O)NC 34a_200000033628_200011997002 [0,2,0,0,0,0|0,0,2]=4 12919 B15R0.81 CCCCCC#CCOCCOC(=O)NC 7a_200000033628_200011997002 [0,2,0,0,0,0|0,0,2]=4 12920 B15R0.81 CCCCCC#CCOCCOC(=O)OC 34a_100010262106_100009816472 [0,2,0,0,0,0|0,0,2]=4 12921 B15R0.81 CCCCCC#CCSCCOC(=O)NC 62a_100009816472_200011997002 [0,2,0,0,0,0|0,0,2]=4 12922 B15R0.81 CCCCCC#CCSCCOC(=O)NC 62a_200011997002_100009816472 [0,2,0,0,0,0|0,0,2]=4 12923 B15R0.81 CCCCCCC#CCCOCC(=O)CC 7a_200000033163_100000747405 [0,2,0,0,0,0|0,0,2]=4 12924 B15R0.81 CCCCCCC#CCCOCC(=O)NC 34a_200000033163_100000183359 [0,2,0,0,0,0|0,0,2]=4 12925 B15R0.81 CCCCCCC#CCCOCC(=O)NC 7a_200000033163_100000183359 [0,2,0,0,0,0|0,0,2]=4 12926 B15R0.81 CCCCCCC#CCCOCC(=O)OC 34a_200000033163_100000747449 [0,2,0,0,0,0|0,0,2]=4 12927 B15R0.81 CCCCCCC#CCCOCC(=O)OC 7a_200000033163_100000747449 [0,2,0,0,0,0|0,0,2]=4 12928 B15R0.81 CCCCCCCC#CCOCC(=O)CC 7a_200000061759_100000747405 [0,2,0,0,0,0|0,0,2]=4 12929 B15R0.81 CCCCCCCC#CCOCC(=O)NC 34a_200000061759_100000183359 [0,2,0,0,0,0|0,0,2]=4 12930 B15R0.81 CCCCCCCC#CCOCC(=O)NC 7a_200000061759_100000183359 [0,2,0,0,0,0|0,0,2]=4 12931 B15R0.81 CCCCCCCC#CCOCC(=O)OC 34a_200000061759_100000747449 [0,2,0,0,0,0|0,0,2]=4 12932 B15R0.81 CCCCCCCC#CCOCC(=O)OC 7a_200000061759_100000747449 [0,2,0,0,0,0|0,0,2]=4 12933 B15R0.81 CCCCCCCCCC=NNC(=O)CC 4a_100000183195_100000210895 [0,2,0,0,0,0|1,0,1]=4 12934 B15R0.81 CCCCCCCCCCC=CC(=O)NC 11a_106832991635_100015291182 [0,2,0,0,0,0|1,0,0]=3 12935 B15R0.81 CCCCCCCCCCC=CC(=O)NC 1626a_100102657272_100015291182 [0,2,0,0,0,0|1,0,0]=3 12936 B15R0.81 CCCCCCCCCCC=CC(=O)NC 240690a_100102657272_100015291182 [0,2,0,0,0,0|1,0,0]=3 12937 B15R0.81 CCCCCCCCCCCCC(=O)CC 1458a_100000210414_100000759014 [0,2,0,0,0,0|1,0,0]=3 12938 B15R0.81 CCCCCCCCCCCCC(=O)CC 1458a_100011215791_100000210202 [0,2,0,0,0,0|1,0,0]=3 12939 B15R0.81 CCCCCCCCCCCCC(=O)CF 1458a_100011215791_100015361967 [0,2,0,0,0,0|1,0,0]=3 12940 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [0,2,0,0,0,0|1,0,0]=3 12941 B15R0.81 CCCCCCCCCCCCC(=O)NC 11a_106832991635_100011215791 [0,2,0,0,0,0|1,0,0]=3 12942 B15R0.81 CCCCCCCCCCCCC(=O)NC 1626a_100102657272_100011215791 [0,2,0,0,0,0|1,0,0]=3 12943 B15R0.81 CCCCCCCCCCCCC(=O)NC 240690a_100102657272_100011215791 [0,2,0,0,0,0|1,0,0]=3 12944 B15R0.81 CCCCCCCCCCCNC(=O)CC 11a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 12945 B15R0.81 CCCCCCCCCCCNC(=O)CC 1626a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 12946 B15R0.81 CCCCCCCCCCCNC(=O)CC 240690a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 12947 B15R0.81 CCCCCCCCCCCNC(=O)CC 527a_200011215754_100000210414 [0,2,0,0,0,0|1,0,0]=3 12948 B15R0.81 CCCCCCCCCCCNC(=O)CO 240690a_200011215754_100000210174 [0,2,0,0,0,0|1,0,0]=3 12949 B15R0.81 CCCCCCCCCCCNC(=O)CO 527a_200011215754_100000210174 [0,2,0,0,0,0|1,0,0]=3 12950 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_100102657272_200011215754 [0,2,0,0,0,0|1,0,0]=3 12951 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_200011215754_106832991635 [0,2,0,0,0,0|1,0,0]=3 12952 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_100102657272_200011215754 [0,2,0,0,0,0|1,0,0]=3 12953 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_200011215754_100102657272 [0,2,0,0,0,0|1,0,0]=3 12954 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_106832991638_200011215754 [0,2,0,0,0,0|1,0,0]=3 12955 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_200011215754_100102657272 [0,2,0,0,0,0|1,0,0]=3 12956 B15R0.81 CCCCCCCCCCCOC(C)C#N 34a_100011218135_100011215454 [0,2,0,0,0,0|1,0,1]=4 12957 B15R0.81 CCCCCCCCCCCOC(C)C#N 7a_100000210809_100000703298 [0,2,0,0,0,0|1,0,1]=4 12958 B15R0.81 CCCCCCCCCCCOC(C)CC 34a_100000210809_100011215416 [0,2,0,0,0,0|1,0,1]=4 12959 B15R0.81 CCCCCCCCCCCOC(C)CC 7a_100000210228_100011215454 [0,2,0,0,0,0|1,0,1]=4 12960 B15R0.81 CCCCCCCCCCCOC(C)CC 7a_100000210809_100000758301 [0,2,0,0,0,0|1,0,1]=4 12961 B15R0.81 CCCCCCCCCCCOC(C)CF 34a_100016041109_100011215454 [0,2,0,0,0,0|1,0,1]=4 12962 B15R0.81 CCCCCCCCCCCOC(C)CF 7a_100016041109_100011215454 [0,2,0,0,0,0|1,0,1]=4 12963 B15R0.81 CCCCCCCCCCCOC(C)CN 34a_100000210904_100011215454 [0,2,0,0,0,0|1,0,1]=4 12964 B15R0.81 CCCCCCCCCCCOC(C)CO 34a_100000210809_100012180447 [0,2,0,0,0,0|0,0,2]=4 12965 B15R0.81 CCCCCCCCCCCOC(C)CO 7a_100000210809_100012180447 [0,2,0,0,0,0|0,0,2]=4 12966 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000684558_100000183359 [0,2,0,0,0,0|1,0,0]=3 12967 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210320 [0,2,0,0,0,0|1,0,0]=3 12968 B15R0.81 CCCCCCCCCCNCC(=O)NC 34a_100000684558_100000183359 [0,2,0,0,0,0|1,0,0]=3 12969 B15R0.81 CCCCCCCCCCNCC(=O)OC 2230a_100000684558_100000747449 [0,2,0,0,0,0|1,0,0]=3 12970 B15R0.81 CCCCCCCCCCNCC(=O)OC 34a_100000684558_100000747449 [0,2,0,0,0,0|1,0,0]=3 12971 B15R0.81 CCCCCCCCCCOCC(=O)CC 34a_100000725409_100000210320 [0,2,0,0,0,0|0,0,0]=2 12972 B15R0.81 CCCCCCCCCCOCC(=O)CC 7a_100000210711_100000747405 [0,2,0,0,0,0|0,0,0]=2 12973 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000210711_100000183359 [0,2,0,0,0,0|0,0,0]=2 12974 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210320 [0,2,0,0,0,0|0,0,0]=2 12975 B15R0.81 CCCCCCCCCCOCC(=O)NC 7a_100000210711_100000183359 [0,2,0,0,0,0|0,0,0]=2 12976 B15R0.81 CCCCCCCCCCOCC(=O)OC 34a_100000210711_100000747449 [0,2,0,0,0,0|0,0,0]=2 12977 B15R0.81 CCCCCCCCCCOCC(=O)OC 7a_100000210711_100000747449 [0,2,0,0,0,0|0,0,0]=2 12978 B15R0.81 CCCCCCCCCCOCC(C)CC 34a_100000210711_100000748023 [0,2,0,0,0,0|1,0,1]=4 12979 B15R0.81 CCCCCCCCCCOCC(C)CC 7a_100000210711_100000748023 [0,2,0,0,0,0|1,0,1]=4 12980 B15R0.81 CCCCCCCCCCOCC(C)CN 34a_100000744482_100000210320 [0,2,0,0,0,0|1,0,1]=4 12981 B15R0.81 CCCCCCCCCCOCC(C)OC 34a_100000690652_100000210320 [0,2,0,0,0,0|0,0,2]=4 12982 B15R0.81 CCCCCCCCCCOCC(Cl)CCl 34a_100000033668_100000210320 [0,2,0,0,0,0|1,0,1]=4 12983 B15R0.81 CCCCCCCCCCOCC(O)CC 34a_100000210711_100011218378 [0,2,0,0,0,0|0,0,2]=4 12984 B15R0.81 CCCCCCCCCCOCC(O)CC 7a_100000210711_100011218378 [0,2,0,0,0,0|0,0,2]=4 12985 B15R0.81 CCCCCCCCCCOCC(O)CO 34a_100000210711_100011219619 [0,2,0,0,0,0|0,0,2]=4 12986 B15R0.81 CCCCCCCCCCOCC(O)CO 7a_100000210711_100011219619 [0,2,0,0,0,0|0,0,2]=4 12987 B15R0.81 CCCCCCCCCCOC[C@@H](C)CC 34a_100000210711_100009816398 [0,2,0,0,0,0|1,0,1]=4 12988 B15R0.81 CCCCCCCCCCOC[C@@H](C)CC 7a_100000210711_100009816398 [0,2,0,0,0,0|1,0,1]=4 12989 B15R0.81 CCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210320 [0,2,0,0,0,0|1,0,1]=4 12990 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 34a_100000210711_100000059175 [0,2,0,0,0,0|0,0,2]=4 12991 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 7a_100000210711_100000059175 [0,2,0,0,0,0|0,0,2]=4 12992 B15R0.81 CCCCCCCCCCOC[C@@H](O)CF 34a_100000210711_100015614560 [0,2,0,0,0,0|0,0,2]=4 12993 B15R0.81 CCCCCCCCCCOC[C@@H](O)CF 7a_100000210711_100015614560 [0,2,0,0,0,0|0,0,2]=4 12994 B15R0.81 CCCCCCCCCCOC[C@@H](O)CO 34a_100000210711_100009815848 [0,2,0,0,0,0|0,0,2]=4 12995 B15R0.81 CCCCCCCCCCOC[C@@H](O)CO 7a_100000210711_100009815848 [0,2,0,0,0,0|0,0,2]=4 12996 B15R0.81 CCCCCCCCCCOC[C@H](F)CN 34a_100015665980_100000210320 [0,2,0,0,0,0|1,0,1]=4 12997 B15R0.81 CCCCCCCCCCSCC(=O)CC 62a_100000747405_100000210320 [0,2,0,0,0,0|0,1,0]=3 12998 B15R0.81 CCCCCCCCCCSCC(=O)NC 62a_100000183359_100000210320 [0,2,0,0,0,0|0,1,0]=3 12999 B15R0.81 CCCCCCCCCCSCC(=O)OC 62a_100000747449_100000210320 [0,2,0,0,0,0|0,1,0]=3 13000 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000212291_100000737683 [0,2,0,0,0,0|1,0,0]=3 13001 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011214924 [0,2,0,0,0,0|1,0,0]=3 13002 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000212291_100012179268 [0,2,0,0,0,0|1,0,0]=3 13003 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000738227_100011214924 [0,2,0,0,0,0|1,0,0]=3 13004 B15R0.81 CCCCCCCCCNCCC(=O)OC 2230a_100000212291_100000204255 [0,2,0,0,0,0|1,0,0]=3 13005 B15R0.81 CCCCCCCCCNCCC(=O)OC 34a_100000212291_100000742370 [0,2,0,0,0,0|1,0,0]=3 13006 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000210712_100012179268 [0,2,0,0,0,0|1,0,0]=3 13007 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000754576_100011214924 [0,2,0,0,0,0|1,0,0]=3 13008 B15R0.81 CCCCCCCCCOCCC(=O)NC 7a_100000210712_100000737683 [0,2,0,0,0,0|1,0,0]=3 13009 B15R0.81 CCCCCCCCCOCCC(=O)OC 34a_100000210712_100000742370 [0,2,0,0,0,0|1,0,0]=3 13010 B15R0.81 CCCCCCCCCOCCC(=O)OC 7a_100000210712_100000204255 [0,2,0,0,0,0|1,0,0]=3 13011 B15R0.81 CCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210670 [0,2,0,0,0,0|1,0,0]=3 13012 B15R0.81 CCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210670 [0,2,0,0,0,0|1,0,0]=3 13013 B15R0.81 CCCCCCCCNC/C=C/C(=O)OC 2230a_100000229939_100000742655 [0,2,0,0,0,0|1,0,1]=4 13014 B15R0.81 CCCCCCCCNC/C=C/C(=O)OC 34a_100000229939_100000742655 [0,2,0,0,0,0|1,0,1]=4 13015 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000229939_100000741757 [0,2,0,0,0,0|1,0,0]=3 13016 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210759 [0,2,0,0,0,0|1,0,0]=3 13017 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000229939_100000741757 [0,2,0,0,0,0|1,0,0]=3 13018 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210759 [0,2,0,0,0,0|1,0,0]=3 13019 B15R0.81 CCCCCCCCNCCCC(=O)OC 2230a_100000229939_100011218270 [0,2,0,0,0,0|1,0,0]=3 13020 B15R0.81 CCCCCCCCNCCCC(=O)OC 34a_100000229939_100000742333 [0,2,0,0,0,0|1,0,0]=3 13021 B15R0.81 CCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210759 [0,2,0,0,0,0|1,0,0]=3 13022 B15R0.81 CCCCCCCCNCCNC(=O)NC 34a_100015205895_100000210759 [0,2,0,0,0,0|1,0,0]=3 13023 B15R0.81 CCCCCCCCNCCOC(=O)NC 34a_100000229939_200011997002 [0,2,0,0,0,0|0,0,0]=2 13024 B15R0.81 CCCCCCCCOC/C=C/C(=O)OC 34a_100000210232_100000742655 [0,2,0,0,0,0|1,0,1]=4 13025 B15R0.81 CCCCCCCCOC/C=C/C(=O)OC 7a_100000210232_100000742655 [0,2,0,0,0,0|1,0,1]=4 13026 B15R0.81 CCCCCCCCOCCCC(=O)NC 34a_100000210232_100000741757 [0,2,0,0,0,0|1,0,0]=3 13027 B15R0.81 CCCCCCCCOCCCC(=O)NC 7a_100000210232_100000741757 [0,2,0,0,0,0|1,0,0]=3 13028 B15R0.81 CCCCCCCCOCCCC(=O)NN 34a_100000211488_100000210759 [0,2,0,0,0,0|2,0,0]=4 13029 B15R0.81 CCCCCCCCOCCCC(=O)OC 34a_100000210232_100000742333 [0,2,0,0,0,0|1,0,0]=3 13030 B15R0.81 CCCCCCCCOCCCC(=O)OC 7a_100000210232_100011218270 [0,2,0,0,0,0|1,0,0]=3 13031 B15R0.81 CCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210759 [0,2,0,0,0,0|1,0,0]=3 13032 B15R0.81 CCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210759 [0,2,0,0,0,0|1,0,0]=3 13033 B15R0.81 CCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210759 [0,2,0,0,0,0|1,0,0]=3 13034 B15R0.81 CCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210759 [0,2,0,0,0,0|0,0,0]=2 13035 B15R0.81 CCCCCCCCOCCOC(=O)NC 34a_100000210232_200011997002 [0,2,0,0,0,0|0,0,0]=2 13036 B15R0.81 CCCCCCCCOCCOC(=O)NC 7a_100000210232_200011997002 [0,2,0,0,0,0|0,0,0]=2 13037 B15R0.81 CCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210759 [0,2,0,0,0,0|0,0,0]=2 13038 B15R0.81 CCCCCCCCSC/C=C/C(=O)OC 62a_100000210759_100000742655 [0,2,0,0,0,0|1,0,1]=4 13039 B15R0.81 CCCCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210317 [0,2,0,0,0,0|1,0,1]=4 13040 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000210759_100000741757 [0,2,0,0,0,0|1,0,0]=3 13041 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210317 [0,2,0,0,0,0|1,0,0]=3 13042 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100000210759_100011218270 [0,2,0,0,0,0|1,0,0]=3 13043 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210317 [0,2,0,0,0,0|1,0,0]=3 13044 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_100000210759_200011997002 [0,2,0,0,0,0|0,0,0]=2 13045 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210317 [0,2,0,0,0,0|0,0,0]=2 13046 B15R0.81 CCCCCCCNCCCCC(=O)OC 2230a_100000229938_100000204269 [0,2,0,0,0,0|1,0,0]=3 13047 B15R0.81 CCCCCCCNCCOCC(=O)OC 2230a_100000229938_100000090808 [0,2,0,0,0,0|1,0,0]=3 13048 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210614 [0,2,0,0,0,0|1,0,0]=3 13049 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000210272_100000204269 [0,2,0,0,0,0|1,0,0]=3 13050 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210614 [0,2,0,0,0,0|1,0,0]=3 13051 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000210272_100000204269 [0,2,0,0,0,0|1,0,0]=3 13052 B15R0.81 CCCCCCCOCCOCC(=O)OC 34a_100000210272_100000090808 [0,2,0,0,0,0|1,0,0]=3 13053 B15R0.81 CCCCCCCOCCOCC(=O)OC 7a_100000210272_100000090808 [0,2,0,0,0,0|1,0,0]=3 13054 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210316 [0,2,0,0,0,0|1,0,0]=3 13055 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000210614_100000204269 [0,2,0,0,0,0|1,0,0]=3 13056 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210316 [0,2,0,0,0,0|1,0,0]=3 13057 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000210614_100000090808 [0,2,0,0,0,0|1,0,0]=3 13058 B15R0.81 CCCCCCNCCCCCC(=O)OC 2230a_100000210581_100009816466 [0,2,0,0,0,0|1,0,0]=3 13059 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210314 [0,2,0,0,0,0|1,0,0]=3 13060 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000210259_100009816466 [0,2,0,0,0,0|1,0,0]=3 13061 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210314 [0,2,0,0,0,0|1,0,0]=3 13062 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000210259_100009816466 [0,2,0,0,0,0|1,0,0]=3 13063 B15R0.81 CCCCCCOCCOCCC(=O)NC 34a_100000691444_100012179268 [0,2,0,0,0,0|2,0,0]=4 13064 B15R0.81 CCCCCCOCCOCCC(=O)NC 7a_100000691444_100000737683 [0,2,0,0,0,0|2,0,0]=4 13065 B15R0.81 CCCCCCOCCOCCC(=O)OC 34a_100000691444_100000742370 [0,2,0,0,0,0|2,0,0]=4 13066 B15R0.81 CCCCCCOCCOCCC(=O)OC 7a_100000691444_100000204255 [0,2,0,0,0,0|2,0,0]=4 13067 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100000210314_100009816466 [0,2,0,0,0,0|1,0,0]=3 13068 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210757 [0,2,0,0,0,0|1,0,0]=3 13069 B15R0.81 CCCCCNCCCCCCC(=O)OC 2230a_100000209983_100009815986 [0,2,0,0,0,0|1,0,0]=3 13070 B15R0.81 CCCCCNCCOCCCC(=O)NC 34a_100000224656_100000741757 [0,2,0,0,0,0|2,0,0]=4 13071 B15R0.81 CCCCCNCCOCCCC(=O)OC 34a_100000224656_100000742333 [0,2,0,0,0,0|2,0,0]=4 13072 B15R0.81 CCCCCNCCOCCOC(=O)NC 34a_100000224656_200011997002 [0,2,0,0,0,0|1,0,0]=3 13073 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100000210253_100009815986 [0,2,0,0,0,0|1,0,0]=3 13074 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100009863599_100000718602 [0,2,0,0,0,0|1,0,0]=3 13075 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100000210253_100009815986 [0,2,0,0,0,0|1,0,0]=3 13076 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210326 [0,2,0,0,0,0|1,0,0]=3 13077 B15R0.81 CCCCCOCCOCCCC(=O)NC 34a_100011215259_100000741757 [0,2,0,0,0,0|2,0,0]=4 13078 B15R0.81 CCCCCOCCOCCCC(=O)NC 7a_100011215259_100000741757 [0,2,0,0,0,0|2,0,0]=4 13079 B15R0.81 CCCCCOCCOCCCC(=O)OC 34a_100011215259_100000742333 [0,2,0,0,0,0|2,0,0]=4 13080 B15R0.81 CCCCCOCCOCCCC(=O)OC 7a_100011215259_100011218270 [0,2,0,0,0,0|2,0,0]=4 13081 B15R0.81 CCCCCOCCOCCOC(=O)NC 34a_100011215259_200011997002 [0,2,0,0,0,0|1,0,0]=3 13082 B15R0.81 CCCCCOCCOCCOC(=O)NC 7a_100011215259_200011997002 [0,2,0,0,0,0|1,0,0]=3 13083 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100000210326_100009815986 [0,2,0,0,0,0|1,0,0]=3 13084 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210326 [0,2,0,0,0,0|1,0,0]=3 13085 B15R0.81 CCCCNCCCCCCCC(=O)OC 2230a_100000102301_100010004213 [0,2,0,0,0,0|1,0,0]=3 13086 B15R0.81 CCCCNCCCCCCCC(=O)OC 7a_106832991798_100010004213 [0,2,0,0,0,0|1,0,0]=3 13087 B15R0.81 CCCCNCCCCOCCC(=O)NC 34a_200011216965_100012179268 [0,2,0,0,0,0|2,0,0]=4 13088 B15R0.81 CCCCNCCCCOCCC(=O)OC 34a_200011216965_100000742370 [0,2,0,0,0,0|2,0,0]=4 13089 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100000210227_100010004213 [0,2,0,0,0,0|1,0,0]=3 13090 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210210 [0,2,0,0,0,0|1,0,0]=3 13091 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100000210227_100010004213 [0,2,0,0,0,0|1,0,0]=3 13092 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210211 [0,2,0,0,0,0|1,0,0]=3 13093 B15R0.81 CCCCOCCCCOCCC(=O)NC 34a_200000760531_100012179268 [0,2,0,0,0,0|2,0,0]=4 13094 B15R0.81 CCCCOCCCCOCCC(=O)NC 7a_200000760531_100000737683 [0,2,0,0,0,0|2,0,0]=4 13095 B15R0.81 CCCCOCCCCOCCC(=O)OC 34a_200000760531_100000742370 [0,2,0,0,0,0|2,0,0]=4 13096 B15R0.81 CCCCOCCCCOCCC(=O)OC 7a_200000760531_100000204255 [0,2,0,0,0,0|2,0,0]=4 13097 B15R0.81 CCCCOCCCNCCCC(=O)NC 2230a_200000211371_100000741757 [0,2,0,0,0,0|2,0,0]=4 13098 B15R0.81 CCCCOCCCNCCCC(=O)NC 34a_200000211371_100000741757 [0,2,0,0,0,0|2,0,0]=4 13099 B15R0.81 CCCCOCCCNCCCC(=O)OC 2230a_200000211371_100011218270 [0,2,0,0,0,0|2,0,0]=4 13100 B15R0.81 CCCCOCCCNCCCC(=O)OC 34a_200000211371_100000742333 [0,2,0,0,0,0|2,0,0]=4 13101 B15R0.81 CCCCOCCCNCCOC(=O)NC 34a_200000211371_200011997002 [0,2,0,0,0,0|1,0,0]=3 13102 B15R0.81 CCCCOCCCOCCCC(=O)NC 34a_200011215613_100000741757 [0,2,0,0,0,0|2,0,0]=4 13103 B15R0.81 CCCCOCCCOCCCC(=O)NC 7a_200011215613_100000741757 [0,2,0,0,0,0|2,0,0]=4 13104 B15R0.81 CCCCOCCCOCCCC(=O)OC 34a_200011215613_100000742333 [0,2,0,0,0,0|2,0,0]=4 13105 B15R0.81 CCCCOCCCOCCCC(=O)OC 7a_200011215613_100011218270 [0,2,0,0,0,0|2,0,0]=4 13106 B15R0.81 CCCCOCCCOCCOC(=O)NC 34a_200011215613_200011997002 [0,2,0,0,0,0|1,0,0]=3 13107 B15R0.81 CCCCOCCCOCCOC(=O)NC 7a_200011215613_200011997002 [0,2,0,0,0,0|1,0,0]=3 13108 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000059025_100000743108 [0,2,0,0,0,0|2,0,0]=4 13109 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000210238_100000204269 [0,2,0,0,0,0|2,0,0]=4 13110 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000059025_100000743108 [0,2,0,0,0,0|2,0,0]=4 13111 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000210238_100000204269 [0,2,0,0,0,0|2,0,0]=4 13112 B15R0.81 CCCCOCCOCCOCC(=O)CC 7a_100011215186_100000747405 [0,2,0,0,0,0|2,0,0]=4 13113 B15R0.81 CCCCOCCOCCOCC(=O)NC 34a_100011215186_100000183359 [0,2,0,0,0,0|2,0,0]=4 13114 B15R0.81 CCCCOCCOCCOCC(=O)NC 7a_100011215186_100000183359 [0,2,0,0,0,0|2,0,0]=4 13115 B15R0.81 CCCCOCCOCCOCC(=O)OC 34a_100000210238_100000090808 [0,2,0,0,0,0|2,0,0]=4 13116 B15R0.81 CCCCOCCOCCOCC(=O)OC 34a_100011023656_100000210210 [0,2,0,0,0,0|2,0,0]=4 13117 B15R0.81 CCCCOCCOCCOCC(=O)OC 34a_100011215186_100000747449 [0,2,0,0,0,0|2,0,0]=4 13118 B15R0.81 CCCCOCCOCCOCC(=O)OC 7a_100000210238_100000090808 [0,2,0,0,0,0|2,0,0]=4 13119 B15R0.81 CCCCOCCOCCOCC(=O)OC 7a_100011023656_100000210211 [0,2,0,0,0,0|2,0,0]=4 13120 B15R0.81 CCCCOCCOCCOCC(=O)OC 7a_100011215186_100000747449 [0,2,0,0,0,0|2,0,0]=4 13121 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000204269_100000743108 [0,2,0,0,0,0|2,0,0]=4 13122 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000743108_100000204269 [0,2,0,0,0,0|2,0,0]=4 13123 B15R0.81 CCCCOCCSCCOCC(=O)OC 62a_100000090808_100000743108 [0,2,0,0,0,0|2,0,0]=4 13124 B15R0.81 CCCCOCCSCCOCC(=O)OC 62a_100000743108_100000090808 [0,2,0,0,0,0|2,0,0]=4 13125 B15R0.81 CCCCOCOCCCCCC(=O)OC 34a_100000074720_100011995733 [0,2,0,0,0,0|2,0,0]=4 13126 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100009816466_100011995733 [0,2,0,0,0,0|2,0,0]=4 13127 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100011995733_100009816466 [0,2,0,0,0,0|2,0,0]=4 13128 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100000210211_100010004213 [0,2,0,0,0,0|1,0,0]=3 13129 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210210 [0,2,0,0,0,0|1,0,0]=3 13130 B15R0.81 CCCCSCCNCCCCC(=O)OC 2230a_100025743550_100000204269 [0,2,0,0,0,0|2,0,0]=4 13131 B15R0.81 CCCCSCCNCCOCC(=O)OC 2230a_100025743550_100000090808 [0,2,0,0,0,0|2,0,0]=4 13132 B15R0.81 CCCCSCCOCCCCC(=O)OC 34a_200000230436_100000204269 [0,2,0,0,0,0|2,0,0]=4 13133 B15R0.81 CCCCSCCOCCCCC(=O)OC 7a_200000230436_100000204269 [0,2,0,0,0,0|2,0,0]=4 13134 B15R0.81 CCCCSCCOCCOCC(=O)OC 34a_200000230436_100000090808 [0,2,0,0,0,0|2,0,0]=4 13135 B15R0.81 CCCCSCCOCCOCC(=O)OC 7a_200000230436_100000090808 [0,2,0,0,0,0|2,0,0]=4 13136 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210303 [0,2,0,0,0,0|1,0,0]=3 13137 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000210258_100010282707 [0,2,0,0,0,0|1,0,0]=3 13138 B15R0.81 CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210303 [0,2,0,0,0,0|1,0,0]=3 13139 B15R0.81 CCCOCCCNCCCCC(=O)OC 2230a_100011217757_100000204269 [0,2,0,0,0,0|2,0,0]=4 13140 B15R0.81 CCCOCCCNCCCCC(=O)OC 34a_100011217757_100000204269 [0,2,0,0,0,0|2,0,0]=4 13141 B15R0.81 CCCOCCCNCCOCC(=O)OC 2230a_100011217757_100000090808 [0,2,0,0,0,0|2,0,0]=4 13142 B15R0.81 CCCOCCCNCCOCC(=O)OC 34a_100011217757_100000090808 [0,2,0,0,0,0|2,0,0]=4 13143 B15R0.81 CCCOCCNCCCCCC(=O)OC 2230a_100161115042_100009816466 [0,2,0,0,0,0|2,0,0]=4 13144 B15R0.81 CCCOCCNCCCCCC(=O)OC 34a_100161115042_100009816466 [0,2,0,0,0,0|2,0,0]=4 13145 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000074720_100011215938 [0,2,0,0,0,0|2,0,0]=4 13146 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000752267_100009816466 [0,2,0,0,0,0|2,0,0]=4 13147 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000074720_100011215938 [0,2,0,0,0,0|2,0,0]=4 13148 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000752267_100009816466 [0,2,0,0,0,0|2,0,0]=4 13149 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100009816466_100011215938 [0,2,0,0,0,0|2,0,0]=4 13150 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100011215938_100009816466 [0,2,0,0,0,0|2,0,0]=4 13151 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100000210303_100010282707 [0,2,0,0,0,0|1,0,0]=3 13152 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210303 [0,2,0,0,0,0|1,0,0]=3 13153 B15R0.81 CCCSCCNCCCCCC(=O)OC 2230a_100020603323_100009816466 [0,2,0,0,0,0|2,0,0]=4 13154 B15R0.81 CCCSCCOCCCCCC(=O)OC 34a_200000230433_100009816466 [0,2,0,0,0,0|2,0,0]=4 13155 B15R0.81 CCCSCCOCCCCCC(=O)OC 7a_200000230433_100009816466 [0,2,0,0,0,0|2,0,0]=4 13156 B15R0.81 CCNCCCCCCCCCC(=O)OC 2230a_100015525214_100009813843 [0,2,0,0,0,0|1,0,0]=3 13157 B15R0.81 CCOCCCCCCCCCC(=O)OC 34a_100121572206_100009813843 [0,2,0,0,0,0|1,0,0]=3 13158 B15R0.81 CCOCCCNCCCCCC(=O)OC 2230a_100000210961_100009816466 [0,2,0,0,0,0|2,0,0]=4 13159 B15R0.81 CCOCCCNCCCCCC(=O)OC 34a_100000210961_100009816466 [0,2,0,0,0,0|2,0,0]=4 13160 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000074720_100012232248 [0,2,0,0,0,0|2,0,0]=4 13161 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000757476_100009816466 [0,2,0,0,0,0|2,0,0]=4 13162 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000074720_100012232248 [0,2,0,0,0,0|2,0,0]=4 13163 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000757476_100009816466 [0,2,0,0,0,0|2,0,0]=4 13164 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100009816466_100012232248 [0,2,0,0,0,0|2,0,0]=4 13165 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100012232248_100009816466 [0,2,0,0,0,0|2,0,0]=4 13166 B15R0.81 CCOCCNCCCCCCC(=O)OC 2230a_102516460346_100009815986 [0,2,0,0,0,0|2,0,0]=4 13167 B15R0.81 CCOCCNCCCCCCC(=O)OC 34a_102516460346_100009815986 [0,2,0,0,0,0|2,0,0]=4 13168 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100000210136_100009815986 [0,2,0,0,0,0|2,0,0]=4 13169 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100009863599_100000210147 [0,2,0,0,0,0|2,0,0]=4 13170 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100000210136_100009815986 [0,2,0,0,0,0|2,0,0]=4 13171 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215890 [0,2,0,0,0,0|2,0,0]=4 13172 B15R0.81 CCOCCOCCNCCOC(=O)NC 34a_100102712874_200011997002 [0,2,0,0,0,0|2,0,0]=4 13173 B15R0.81 CCOCCOCCOCCOC(=O)CC 7a_200000031056_100011211534 [0,2,0,0,0,0|2,0,0]=4 13174 B15R0.81 CCOCCOCCOCCOC(=O)NC 34a_100000210240_200011997002 [0,2,0,0,0,0|2,0,0]=4 13175 B15R0.81 CCOCCOCCOCCOC(=O)NC 7a_100000210240_200011997002 [0,2,0,0,0,0|2,0,0]=4 13176 B15R0.81 CCOCCOCCOCCOC(=O)OC 34a_100010262106_100011211534 [0,2,0,0,0,0|2,0,0]=4 13177 B15R0.81 CCOCCOCCSCCOC(=O)NC 62a_100011211534_200011997002 [0,2,0,0,0,0|2,0,0]=4 13178 B15R0.81 CCOCCOCCSCCOC(=O)NC 62a_200011997002_100011211534 [0,2,0,0,0,0|2,0,0]=4 13179 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100000210147_100009815986 [0,2,0,0,0,0|2,0,0]=4 13180 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215890 [0,2,0,0,0,0|2,0,0]=4 13181 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100000739092_100010004213 [0,2,0,0,0,0|2,0,0]=4 13182 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100010004213_100000739092 [0,2,0,0,0,0|2,0,0]=4 13183 B15R0.81 CCSCCCCCCCCCC(=O)OC 62a_100000210202_100009813843 [0,2,0,0,0,0|1,0,0]=3 13184 B15R0.81 CCSCCCOCCCCCC(=O)OC 34a_100011216438_100009816466 [0,2,0,0,0,0|2,0,0]=4 13185 B15R0.81 CCSCCCOCCCCCC(=O)OC 7a_100011216438_100009816466 [0,2,0,0,0,0|2,0,0]=4 13186 B15R0.81 CCSCCNCCCCCCC(=O)OC 2230a_100000106463_100009815986 [0,2,0,0,0,0|2,0,0]=4 13187 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100000212035_100009815986 [0,2,0,0,0,0|2,0,0]=4 13188 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100009863599_100000757381 [0,2,0,0,0,0|2,0,0]=4 13189 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100000212035_100009815986 [0,2,0,0,0,0|2,0,0]=4 13190 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100009863599_100000757381 [0,2,0,0,0,0|2,0,0]=4 13191 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100000757381_100009815986 [0,2,0,0,0,0|2,0,0]=4 13192 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100009815986_100000757381 [0,2,0,0,0,0|2,0,0]=4 13193 B15R0.81 CNC(=O)CCCCCCCCCCCO 240690a_100102657272_100000037981 [0,2,0,0,0,0|1,0,0]=3 13194 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100000740002_100000760002 [0,2,0,0,0,0|2,0,0]=4 13195 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100011996573_100000741757 [0,2,0,0,0,0|2,0,0]=4 13196 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100000740002_100000760002 [0,2,0,0,0,0|2,0,0]=4 13197 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100011996573_100000741757 [0,2,0,0,0,0|2,0,0]=4 13198 B15R0.81 CNC(=O)CCCNCCCCCCOC 2230a_100000740002_100011998445 [0,2,0,0,0,0|2,0,0]=4 13199 B15R0.81 CNC(=O)CCCNCCCCCCOC 34a_100000740002_100011998445 [0,2,0,0,0,0|2,0,0]=4 13200 B15R0.81 CNC(=O)CCCOCCCCCCCBr 34a_100000760002_100000741757 [0,2,0,0,0,0|2,0,0]=4 13201 B15R0.81 CNC(=O)CCCOCCCCCCCBr 7a_100000760002_100000741757 [0,2,0,0,0,0|2,0,0]=4 13202 B15R0.81 CNC(=O)CCCOCCCCCCCN 34a_100011996573_100000741757 [0,2,0,0,0,0|2,0,0]=4 13203 B15R0.81 CNC(=O)CCCOCCCCCCOC 34a_200012092642_100000741757 [0,2,0,0,0,0|2,0,0]=4 13204 B15R0.81 CNC(=O)CCCOCCCCCCOC 7a_200012092642_100000741757 [0,2,0,0,0,0|2,0,0]=4 13205 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000741757_100000760002 [0,2,0,0,0,0|2,0,0]=4 13206 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000760002_100000741757 [0,2,0,0,0,0|2,0,0]=4 13207 B15R0.81 CNC(=O)CCCSCCCCCCOC 62a_100000741757_100011998445 [0,2,0,0,0,0|2,0,0]=4 13208 B15R0.81 CNC(=O)CCCSCCCCCCOC 62a_100011998445_100000741757 [0,2,0,0,0,0|2,0,0]=4 13209 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_100000738227_100000033203 [0,2,0,0,0,0|2,0,0]=4 13210 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_102515433106_100000737683 [0,2,0,0,0,0|2,0,0]=4 13211 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_100000738227_100000033203 [0,2,0,0,0,0|2,0,0]=4 13212 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_102515433106_100012179268 [0,2,0,0,0,0|2,0,0]=4 13213 B15R0.81 CNC(=O)CCOCCCCCCCCBr 34a_100009813846_100012179268 [0,2,0,0,0,0|2,0,0]=4 13214 B15R0.81 CNC(=O)CCOCCCCCCCCBr 7a_100009813846_100000737683 [0,2,0,0,0,0|2,0,0]=4 13215 B15R0.81 CNC(=O)CCOCCCCCCCCCl 34a_100000033203_100012179268 [0,2,0,0,0,0|2,0,0]=4 13216 B15R0.81 CNC(=O)CCOCCCCCCCCCl 7a_100000033203_100000737683 [0,2,0,0,0,0|2,0,0]=4 13217 B15R0.81 CNC(=O)CCOCCCCCCCCN 34a_102515433106_100012179268 [0,2,0,0,0,0|2,0,0]=4 13218 B15R0.81 CNC(=O)CCOCCCCCCCCO 34a_100000754576_100000033203 [0,2,0,0,0,0|2,0,0]=4 13219 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000033203_100000737683 [0,2,0,0,0,0|2,0,0]=4 13220 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000737683_100000033203 [0,2,0,0,0,0|2,0,0]=4 13221 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183359 [0,2,0,0,0,0|2,0,0]=4 13222 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000693194_100009813782 [0,2,0,0,0,0|2,0,0]=4 13223 B15R0.81 CNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183359 [0,2,0,0,0,0|2,0,0]=4 13224 B15R0.81 CNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183359 [0,2,0,0,0,0|1,0,0]=3 13225 B15R0.81 CNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183359 [0,2,0,0,0,0|1,0,0]=3 13226 B15R0.81 CNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183359 [0,2,0,0,0,0|1,0,0]=3 13227 B15R0.81 CNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183359 [0,2,0,0,0,0|1,0,0]=3 13228 B15R0.81 CNC(=O)COCCCCCCCCCN 34a_100000078944_100000183359 [0,2,0,0,0,0|1,0,0]=3 13229 B15R0.81 CNC(=O)COCCCCCCCCCO 34a_100000750040_100009813782 [0,2,0,0,0,0|1,0,0]=3 13230 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100000183359_100009813782 [0,2,0,0,0,0|1,1,0]=4 13231 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183359 [0,2,0,0,0,0|1,1,0]=4 13232 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100000066964_106832991635 [0,2,0,0,0,0|1,0,0]=3 13233 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100102657272_100000066964 [0,2,0,0,0,0|1,0,0]=3 13234 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100000066964_100102657272 [0,2,0,0,0,0|1,0,0]=3 13235 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100102657272_100000066964 [0,2,0,0,0,0|1,0,0]=3 13236 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_100000066964_100102657272 [0,2,0,0,0,0|1,0,0]=3 13237 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_106832991638_100000066964 [0,2,0,0,0,0|1,0,0]=3 13238 B15R0.81 CNC(=O)NCCNCCCCCCCO 34a_100015205895_100000760002 [0,2,0,0,0,0|2,0,0]=4 13239 B15R0.81 CNC(=O)NCCNCCCCCCOC 34a_100015205895_100011998445 [0,2,0,0,0,0|2,0,0]=4 13240 B15R0.81 CNC(=O)OCCNCCCCCCCO 34a_100011996573_200011997002 [0,2,0,0,0,0|1,0,0]=3 13241 B15R0.81 CNC(=O)OCCNCCCOCCCO 34a_100011310245_200011997002 [0,2,0,0,0,0|2,0,0]=4 13242 B15R0.81 CNC(=O)OCCNCCCOCCOC 34a_100000206027_200011997002 [0,2,0,0,0,0|2,0,0]=4 13243 B15R0.81 CNC(=O)OCCOCCCCCCCBr 34a_100000760002_200011997002 [0,2,0,0,0,0|1,0,0]=3 13244 B15R0.81 CNC(=O)OCCOCCCCCCCBr 7a_100000760002_200011997002 [0,2,0,0,0,0|1,0,0]=3 13245 B15R0.81 CNC(=O)OCCOCCCCCCCN 34a_100011996573_200011997002 [0,2,0,0,0,0|1,0,0]=3 13246 B15R0.81 CNC(=O)OCCOCCCCCCOC 34a_200012092642_200011997002 [0,2,0,0,0,0|1,0,0]=3 13247 B15R0.81 CNC(=O)OCCOCCCCCCOC 7a_200012092642_200011997002 [0,2,0,0,0,0|1,0,0]=3 13248 B15R0.81 CNC(=O)OCCOCCCOCCCN 34a_100011310245_200011997002 [0,2,0,0,0,0|2,0,0]=4 13249 B15R0.81 CNC(=O)OCCSCCCCCCC#N 62a_100009813337_200011997002 [0,2,0,0,0,0|1,0,1]=4 13250 B15R0.81 CNC(=O)OCCSCCCCCCC#N 62a_200011997002_100009813337 [0,2,0,0,0,0|1,0,1]=4 13251 B15R0.81 CNC(=O)OCCSCCCCCCCO 62a_100000760002_200011997002 [0,2,0,0,0,0|1,0,0]=3 13252 B15R0.81 CNC(=O)OCCSCCCCCCCO 62a_200011997002_100000760002 [0,2,0,0,0,0|1,0,0]=3 13253 B15R0.81 CNC(=O)OCCSCCCCCCOC 62a_100011998445_200011997002 [0,2,0,0,0,0|1,0,0]=3 13254 B15R0.81 CNC(=O)OCCSCCCCCCOC 62a_200011997002_100011998445 [0,2,0,0,0,0|1,0,0]=3 13255 B15R0.81 CNC(=O)OCCSCCCOCCOC 62a_100011216529_200011997002 [0,2,0,0,0,0|2,0,0]=4 13256 B15R0.81 CNC(=O)OCCSCCCOCCOC 62a_200011997002_100011216529 [0,2,0,0,0,0|2,0,0]=4 13257 B15R0.81 CNCCCCCCCCCCC(=O)OC 2230a_106832991635_100009812566 [0,2,0,0,0,0|1,0,0]=3 13258 B15R0.81 CNCCCCCCCCCCC(=O)OC 34a_100102657272_100009812566 [0,2,0,0,0,0|1,0,0]=3 13259 B15R0.81 CNCCCCCCCCCCC(=O)OC 7a_106832991635_100009812566 [0,2,0,0,0,0|1,0,0]=3 13260 B15R0.81 CNCCCCCOCCCCC(=O)OC 34a_100000722520_100000204269 [0,2,0,0,0,0|2,0,0]=4 13261 B15R0.81 CNCCCCCOCCOCC(=O)OC 34a_100000722520_100000090808 [0,2,0,0,0,0|2,0,0]=4 13262 B15R0.81 CNCCCOCCCCCCC(=O)OC 34a_100000213112_100009815986 [0,2,0,0,0,0|2,0,0]=4 13263 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 34a_100011003013_200025704644 [0,2,0,0,0,0|1,0,0]=3 13264 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 7a_100011003013_200025704644 [0,2,0,0,0,0|1,0,0]=3 13265 B15R0.81 COC(=O)CCCCCCCCCCSC 62a_200000210301_100009812566 [0,2,0,0,0,0|1,0,0]=3 13266 B15R0.81 COC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009812566 [0,2,0,0,0,0|1,0,0]=3 13267 B15R0.81 COC(=O)CCCCCCCCCSCF 62a_100015361967_100009813843 [0,2,0,0,0,0|2,0,0]=4 13268 B15R0.81 COC(=O)CCCCCCCCNCCF 34a_100000724931_100010282707 [0,2,0,0,0,0|2,0,0]=4 13269 B15R0.81 COC(=O)CCCCCCCCNCCO 2230a_100016997473_100010282707 [0,2,0,0,0,0|2,0,0]=4 13270 B15R0.81 COC(=O)CCCCCCCCNCCO 34a_100016990907_100010282707 [0,2,0,0,0,0|2,0,0]=4 13271 B15R0.81 COC(=O)CCCCCCCCOCCBr 34a_100000211926_100010282707 [0,2,0,0,0,0|2,0,0]=4 13272 B15R0.81 COC(=O)CCCCCCCCOCCF 34a_100000035544_100011217306 [0,2,0,0,0,0|2,0,0]=4 13273 B15R0.81 COC(=O)CCCCCCCCOCCF 7a_100000035544_100011217306 [0,2,0,0,0,0|2,0,0]=4 13274 B15R0.81 COC(=O)CCCCCCCCOCCN 34a_100000210304_100010282707 [0,2,0,0,0,0|2,0,0]=4 13275 B15R0.81 COC(=O)CCCCCCCCOCCO 34a_100000035544_100000211926 [0,2,0,0,0,0|2,0,0]=4 13276 B15R0.81 COC(=O)CCCCCCCCOCCO 7a_100000035544_100000211926 [0,2,0,0,0,0|2,0,0]=4 13277 B15R0.81 COC(=O)CCCCCCCCOCSC 34a_100000035544_100011218213 [0,2,0,0,0,0|2,0,0]=4 13278 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100010282707_100011217306 [0,2,0,0,0,0|2,0,0]=4 13279 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100011217306_100010282707 [0,2,0,0,0,0|2,0,0]=4 13280 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100000211926_100010282707 [0,2,0,0,0,0|2,0,0]=4 13281 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100010282707_100000211926 [0,2,0,0,0,0|2,0,0]=4 13282 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100010282707_100011218213 [0,2,0,0,0,0|2,0,0]=4 13283 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100011218213_100010282707 [0,2,0,0,0,0|2,0,0]=4 13284 B15R0.81 COC(=O)CCCCCCCNCCCF 2230a_100015189416_100010004213 [0,2,0,0,0,0|2,0,0]=4 13285 B15R0.81 COC(=O)CCCCCCCNCCCF 34a_100015189416_100010004213 [0,2,0,0,0,0|2,0,0]=4 13286 B15R0.81 COC(=O)CCCCCCCNCCSC 2230a_100020590264_100010004213 [0,2,0,0,0,0|2,0,0]=4 13287 B15R0.81 COC(=O)CCCCCCCOCCCBr 34a_100011217188_100010004213 [0,2,0,0,0,0|2,0,0]=4 13288 B15R0.81 COC(=O)CCCCCCCOCCCCl 34a_100000230001_100010004213 [0,2,0,0,0,0|2,0,0]=4 13289 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100000759539_100010004213 [0,2,0,0,0,0|2,0,0]=4 13290 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100011022521_100011934791 [0,2,0,0,0,0|2,0,0]=4 13291 B15R0.81 COC(=O)CCCCCCCOCCCF 7a_100011022521_100011934791 [0,2,0,0,0,0|2,0,0]=4 13292 B15R0.81 COC(=O)CCCCCCCOCCCN 34a_100000182051_100010004213 [0,2,0,0,0,0|2,0,0]=4 13293 B15R0.81 COC(=O)CCCCCCCOCCCO 34a_100011022521_100000230001 [0,2,0,0,0,0|2,0,0]=4 13294 B15R0.81 COC(=O)CCCCCCCOCCCO 7a_100011022521_100011215043 [0,2,0,0,0,0|2,0,0]=4 13295 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100000230434_100010004213 [0,2,0,0,0,0|2,0,0]=4 13296 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100011022521_100000212216 [0,2,0,0,0,0|2,0,0]=4 13297 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100000230434_100010004213 [0,2,0,0,0,0|2,0,0]=4 13298 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100011022521_100000212216 [0,2,0,0,0,0|2,0,0]=4 13299 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100010004213_100011934791 [0,2,0,0,0,0|2,0,0]=4 13300 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100011934791_100010004213 [0,2,0,0,0,0|2,0,0]=4 13301 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100010004213_100011215043 [0,2,0,0,0,0|2,0,0]=4 13302 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100011215043_100010004213 [0,2,0,0,0,0|2,0,0]=4 13303 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100000212216_100010004213 [0,2,0,0,0,0|2,0,0]=4 13304 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100010004213_100000751147 [0,2,0,0,0,0|2,0,0]=4 13305 B15R0.81 COC(=O)CCCCCCNCCCCO 2230a_100000750430_100009815986 [0,2,0,0,0,0|2,0,0]=4 13306 B15R0.81 COC(=O)CCCCCCNCCCCO 34a_100000750430_100009815986 [0,2,0,0,0,0|2,0,0]=4 13307 B15R0.81 COC(=O)CCCCCCNCCCSC 2230a_100000749238_100009815986 [0,2,0,0,0,0|2,0,0]=4 13308 B15R0.81 COC(=O)CCCCCCOCCCCBr 34a_100011216708_100009815986 [0,2,0,0,0,0|2,0,0]=4 13309 B15R0.81 COC(=O)CCCCCCOCCCCCl 34a_100000210776_100009815986 [0,2,0,0,0,0|2,0,0]=4 13310 B15R0.81 COC(=O)CCCCCCOCCCCCl 7a_100000210776_100009815986 [0,2,0,0,0,0|2,0,0]=4 13311 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100009863599_100000729493 [0,2,0,0,0,0|2,0,0]=4 13312 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100011995726_100009815986 [0,2,0,0,0,0|2,0,0]=4 13313 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100009863599_100000729493 [0,2,0,0,0,0|2,0,0]=4 13314 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100011995726_100009815986 [0,2,0,0,0,0|2,0,0]=4 13315 B15R0.81 COC(=O)CCCCCCOCCCCI 34a_200012148704_100009815986 [0,2,0,0,0,0|2,0,0]=4 13316 B15R0.81 COC(=O)CCCCCCOCCCCN 34a_100000750430_100009815986 [0,2,0,0,0,0|2,0,0]=4 13317 B15R0.81 COC(=O)CCCCCCOCCCCO 34a_100009863599_100011216708 [0,2,0,0,0,0|2,0,0]=4 13318 B15R0.81 COC(=O)CCCCCCOCCCCO 7a_100009863599_100000210776 [0,2,0,0,0,0|2,0,0]=4 13319 B15R0.81 COC(=O)CCCCCCOCCCSC 34a_100000690336_100009815986 [0,2,0,0,0,0|2,0,0]=4 13320 B15R0.81 COC(=O)CCCCCCOCCCSC 7a_100000690336_100009815986 [0,2,0,0,0,0|2,0,0]=4 13321 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100000729493_100009815986 [0,2,0,0,0,0|2,0,0]=4 13322 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100009815986_100000729493 [0,2,0,0,0,0|2,0,0]=4 13323 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100000210776_100009815986 [0,2,0,0,0,0|2,0,0]=4 13324 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100009815986_100000210776 [0,2,0,0,0,0|2,0,0]=4 13325 B15R0.81 COC(=O)CCCCCNCCCCCO 2230a_100000762737_100009816466 [0,2,0,0,0,0|2,0,0]=4 13326 B15R0.81 COC(=O)CCCCCNCCCCCO 34a_100000762737_100009816466 [0,2,0,0,0,0|2,0,0]=4 13327 B15R0.81 COC(=O)CCCCCOCCCCCBr 34a_100000746331_100009816466 [0,2,0,0,0,0|2,0,0]=4 13328 B15R0.81 COC(=O)CCCCCOCCCCCBr 7a_100000746331_100009816466 [0,2,0,0,0,0|2,0,0]=4 13329 B15R0.81 COC(=O)CCCCCOCCCCCCl 34a_100000746330_100009816466 [0,2,0,0,0,0|2,0,0]=4 13330 B15R0.81 COC(=O)CCCCCOCCCCCCl 7a_100000746330_100009816466 [0,2,0,0,0,0|2,0,0]=4 13331 B15R0.81 COC(=O)CCCCCOCCCCCF 34a_100000074720_100000729378 [0,2,0,0,0,0|2,0,0]=4 13332 B15R0.81 COC(=O)CCCCCOCCCCCF 7a_100000074720_100000729378 [0,2,0,0,0,0|2,0,0]=4 13333 B15R0.81 COC(=O)CCCCCOCCCCCI 34a_200012148887_100009816466 [0,2,0,0,0,0|2,0,0]=4 13334 B15R0.81 COC(=O)CCCCCOCCCCCI 7a_200012148887_100009816466 [0,2,0,0,0,0|2,0,0]=4 13335 B15R0.81 COC(=O)CCCCCOCCCCCN 34a_100000762737_100009816466 [0,2,0,0,0,0|2,0,0]=4 13336 B15R0.81 COC(=O)CCCCCOCCCCCO 34a_100000074720_100000746330 [0,2,0,0,0,0|2,0,0]=4 13337 B15R0.81 COC(=O)CCCCCOCCCCCO 7a_100000074720_100000746330 [0,2,0,0,0,0|2,0,0]=4 13338 B15R0.81 COC(=O)CCCCCOCCCCSC 34a_100011217163_100009816466 [0,2,0,0,0,0|2,0,0]=4 13339 B15R0.81 COC(=O)CCCCCOCCCCSC 7a_100011217163_100009816466 [0,2,0,0,0,0|2,0,0]=4 13340 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100000729378_100009816466 [0,2,0,0,0,0|2,0,0]=4 13341 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100009816466_100000729378 [0,2,0,0,0,0|2,0,0]=4 13342 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100000746330_100009816466 [0,2,0,0,0,0|2,0,0]=4 13343 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100009816466_100000746330 [0,2,0,0,0,0|2,0,0]=4 13344 B15R0.81 COC(=O)CCCCNCCCCCCO 2230a_100000686447_100000204269 [0,2,0,0,0,0|2,0,0]=4 13345 B15R0.81 COC(=O)CCCCNCCCCCCO 34a_100000686447_100000204269 [0,2,0,0,0,0|2,0,0]=4 13346 B15R0.81 COC(=O)CCCCOCCCCCCBr 34a_100011215345_100000204269 [0,2,0,0,0,0|2,0,0]=4 13347 B15R0.81 COC(=O)CCCCOCCCCCCBr 7a_100011215345_100000204269 [0,2,0,0,0,0|2,0,0]=4 13348 B15R0.81 COC(=O)CCCCOCCCCCCCl 34a_100000766143_100000204269 [0,2,0,0,0,0|2,0,0]=4 13349 B15R0.81 COC(=O)CCCCOCCCCCCCl 7a_100000766143_100000204269 [0,2,0,0,0,0|2,0,0]=4 13350 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000059025_100015922095 [0,2,0,0,0,0|2,0,0]=4 13351 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000732779_100000204269 [0,2,0,0,0,0|2,0,0]=4 13352 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000059025_100015922095 [0,2,0,0,0,0|2,0,0]=4 13353 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000732779_100000204269 [0,2,0,0,0,0|2,0,0]=4 13354 B15R0.81 COC(=O)CCCCOCCCCCCN 34a_100000686447_100000204269 [0,2,0,0,0,0|2,0,0]=4 13355 B15R0.81 COC(=O)CCCCOCCCCCCO 34a_100000059025_100000766143 [0,2,0,0,0,0|2,0,0]=4 13356 B15R0.81 COC(=O)CCCCOCCCCCCO 7a_100000059025_100000766143 [0,2,0,0,0,0|2,0,0]=4 13357 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100000204269_100015922095 [0,2,0,0,0,0|2,0,0]=4 13358 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100015922095_100000204269 [0,2,0,0,0,0|2,0,0]=4 13359 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000204269_100000766143 [0,2,0,0,0,0|2,0,0]=4 13360 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000766143_100000204269 [0,2,0,0,0,0|2,0,0]=4 13361 B15R0.81 COC(=O)CCCNCCCCCCCO 2230a_100011996573_100011218270 [0,2,0,0,0,0|2,0,0]=4 13362 B15R0.81 COC(=O)CCCNCCCCCCCO 34a_100011996573_100000742333 [0,2,0,0,0,0|2,0,0]=4 13363 B15R0.81 COC(=O)CCCOCCCCCCCBr 34a_100000760002_100000742333 [0,2,0,0,0,0|2,0,0]=4 13364 B15R0.81 COC(=O)CCCOCCCCCCCBr 7a_100000760002_100011218270 [0,2,0,0,0,0|2,0,0]=4 13365 B15R0.81 COC(=O)CCCOCCCCCCCN 34a_100011996573_100000742333 [0,2,0,0,0,0|2,0,0]=4 13366 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100000760002_100011218270 [0,2,0,0,0,0|2,0,0]=4 13367 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100011218270_100000760002 [0,2,0,0,0,0|2,0,0]=4 13368 B15R0.81 COC(=O)CCNCCCCCCCCO 2230a_102515433106_100000204255 [0,2,0,0,0,0|2,0,0]=4 13369 B15R0.81 COC(=O)CCNCCCCCCCCO 34a_102515433106_100000742370 [0,2,0,0,0,0|2,0,0]=4 13370 B15R0.81 COC(=O)CCOCCCCCCCCBr 34a_100009813846_100000742370 [0,2,0,0,0,0|2,0,0]=4 13371 B15R0.81 COC(=O)CCOCCCCCCCCBr 7a_100009813846_100000204255 [0,2,0,0,0,0|2,0,0]=4 13372 B15R0.81 COC(=O)CCOCCCCCCCCCl 34a_100000033203_100000742370 [0,2,0,0,0,0|2,0,0]=4 13373 B15R0.81 COC(=O)CCOCCCCCCCCCl 7a_100000033203_100000204255 [0,2,0,0,0,0|2,0,0]=4 13374 B15R0.81 COC(=O)CCOCCCCCCCCN 34a_102515433106_100000742370 [0,2,0,0,0,0|2,0,0]=4 13375 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000033203_100000204255 [0,2,0,0,0,0|2,0,0]=4 13376 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000204255_100000033203 [0,2,0,0,0,0|2,0,0]=4 13377 B15R0.81 COC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747449 [0,2,0,0,0,0|2,0,0]=4 13378 B15R0.81 COC(=O)CNCCCCCCCCCO 34a_100000078944_100000747449 [0,2,0,0,0,0|2,0,0]=4 13379 B15R0.81 COC(=O)COCCCCCCCCCBr 34a_100009813782_100000747449 [0,2,0,0,0,0|1,0,0]=3 13380 B15R0.81 COC(=O)COCCCCCCCCCBr 7a_100009813782_100000747449 [0,2,0,0,0,0|1,0,0]=3 13381 B15R0.81 COC(=O)COCCCCCCCCCCl 34a_100009868337_100000747449 [0,2,0,0,0,0|1,0,0]=3 13382 B15R0.81 COC(=O)COCCCCCCCCCCl 7a_100009868337_100000747449 [0,2,0,0,0,0|1,0,0]=3 13383 B15R0.81 COC(=O)COCCCCCCCCCN 34a_100000078944_100000747449 [0,2,0,0,0,0|1,0,0]=3 13384 B15R0.81 COC(=O)COCCNCCCCCCO 2230a_100000686447_100000090808 [0,2,0,0,0,0|2,0,0]=4 13385 B15R0.81 COC(=O)COCCNCCCCCCO 34a_100000686447_100000090808 [0,2,0,0,0,0|2,0,0]=4 13386 B15R0.81 COC(=O)COCCOCCCCCCBr 34a_100011215345_100000090808 [0,2,0,0,0,0|2,0,0]=4 13387 B15R0.81 COC(=O)COCCOCCCCCCBr 7a_100011215345_100000090808 [0,2,0,0,0,0|2,0,0]=4 13388 B15R0.81 COC(=O)COCCOCCCCCCCl 34a_100000766143_100000090808 [0,2,0,0,0,0|2,0,0]=4 13389 B15R0.81 COC(=O)COCCOCCCCCCCl 7a_100000766143_100000090808 [0,2,0,0,0,0|2,0,0]=4 13390 B15R0.81 COC(=O)COCCOCCCCCCF 34a_100000732779_100000090808 [0,2,0,0,0,0|2,0,0]=4 13391 B15R0.81 COC(=O)COCCOCCCCCCF 7a_100000732779_100000090808 [0,2,0,0,0,0|2,0,0]=4 13392 B15R0.81 COC(=O)COCCOCCCCCCN 34a_100000686447_100000090808 [0,2,0,0,0,0|2,0,0]=4 13393 B15R0.81 COC(=O)COCCSCCCCCCF 62a_100000090808_100015922095 [0,2,0,0,0,0|2,0,0]=4 13394 B15R0.81 COC(=O)COCCSCCCCCCF 62a_100015922095_100000090808 [0,2,0,0,0,0|2,0,0]=4 13395 B15R0.81 COC(=O)COCCSCCCCCCO 62a_100000090808_100000766143 [0,2,0,0,0,0|2,0,0]=4 13396 B15R0.81 COC(=O)COCCSCCCCCCO 62a_100000766143_100000090808 [0,2,0,0,0,0|2,0,0]=4 13397 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100000747449_100009813782 [0,2,0,0,0,0|1,1,0]=4 13398 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100009813782_100000747449 [0,2,0,0,0,0|1,1,0]=4 13399 B15R0.81 COC(=O)NCCOCCCCCCCO 34a_100000757965_100000760002 [0,2,0,0,0,0|2,0,0]=4 13400 B15R0.81 COC(=O)OCCOCCCCCCCO 34a_100010262106_100000760002 [0,2,0,0,0,0|1,0,0]=3 13401 B15R0.81 COC(=O)OCSCCCCCCCCO 62a_100000033203_100000139417 [0,2,0,0,0,0|1,0,0]=3 13402 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100011003013_200000210301 [0,2,0,0,0,0|1,0,0]=3 13403 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100138415774_100009812566 [0,2,0,0,0,0|1,0,0]=3 13404 B15R0.81 COCCCCCCCCCCC(=O)OC 7a_100011003013_200000210301 [0,2,0,0,0,0|1,0,0]=3 13405 B15R0.81 COCCCCCCOCCCC(=O)OC 34a_200012092642_100000742333 [0,2,0,0,0,0|2,0,0]=4 13406 B15R0.81 COCCCCCCOCCCC(=O)OC 7a_200012092642_100011218270 [0,2,0,0,0,0|2,0,0]=4 13407 B15R0.81 COCCCCCCOCCNC(=O)OC 34a_100000757965_100011998445 [0,2,0,0,0,0|2,0,0]=4 13408 B15R0.81 COCCCCCCOCCOC(=O)OC 34a_100010262106_100011998445 [0,2,0,0,0,0|1,0,0]=3 13409 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011218270_100011998445 [0,2,0,0,0,0|2,0,0]=4 13410 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011998445_100011218270 [0,2,0,0,0,0|2,0,0]=4 13411 B15R0.81 COCCCCCNCCCCC(=O)OC 2230a_100000747528_100000204269 [0,2,0,0,0,0|2,0,0]=4 13412 B15R0.81 COCCCCCNCCCCC(=O)OC 34a_100000747528_100000204269 [0,2,0,0,0,0|2,0,0]=4 13413 B15R0.81 COCCCCCNCCOCC(=O)OC 2230a_100000747528_100000090808 [0,2,0,0,0,0|2,0,0]=4 13414 B15R0.81 COCCCCCNCCOCC(=O)OC 34a_100000747528_100000090808 [0,2,0,0,0,0|2,0,0]=4 13415 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000074720_100000755781 [0,2,0,0,0,0|2,0,0]=4 13416 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000740925_100009816466 [0,2,0,0,0,0|2,0,0]=4 13417 B15R0.81 COCCCCOCCCCCC(=O)OC 7a_100000074720_100000730899 [0,2,0,0,0,0|2,0,0]=4 13418 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100000730899_100009816466 [0,2,0,0,0,0|2,0,0]=4 13419 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100009816466_100000730899 [0,2,0,0,0,0|2,0,0]=4 13420 B15R0.81 COCCCNCCCCCCC(=O)OC 34a_100150723488_100009815986 [0,2,0,0,0,0|2,0,0]=4 13421 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100000740835_100009815986 [0,2,0,0,0,0|2,0,0]=4 13422 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100009863599_100000740836 [0,2,0,0,0,0|2,0,0]=4 13423 B15R0.81 COCCCOCCCCCCC(=O)OC 7a_100009863599_100000740836 [0,2,0,0,0,0|2,0,0]=4 13424 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100000709357_100009815986 [0,2,0,0,0,0|2,0,0]=4 13425 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100009815986_100000709357 [0,2,0,0,0,0|2,0,0]=4 13426 B15R0.81 COCCNCCCCCCCC(=O)OC 2230a_100000209980_100010004213 [0,2,0,0,0,0|2,0,0]=4 13427 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100000210237_100010004213 [0,2,0,0,0,0|2,0,0]=4 13428 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100011022521_100011201679 [0,2,0,0,0,0|2,0,0]=4 13429 B15R0.81 COCCOCCCCCCCC(=O)OC 7a_100011022521_100000233755 [0,2,0,0,0,0|2,0,0]=4 13430 B15R0.81 COCCOCCCOCCOC(=O)OC 34a_100010262106_100011216529 [0,2,0,0,0,0|2,0,0]=4 13431 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100000233755_100010004213 [0,2,0,0,0,0|2,0,0]=4 13432 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100010004213_100000233755 [0,2,0,0,0,0|2,0,0]=4 13433 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100000766300_100010282707 [0,2,0,0,0,0|2,0,0]=4 13434 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100010282707_100000766300 [0,2,0,0,0,0|2,0,0]=4 13435 B15R0.81 O=C(CO)CCCCCCCCCCCO 1458a_100000210174_100009812471 [0,2,0,0,0,0|1,0,0]=3 13436 B15R0.81 O=C(CO)NCCCCCCCCCCO 240690a_100000066964_100000210174 [0,2,0,0,0,0|1,0,0]=3 13437 B15R0.84 C#CCCCCCCCCOC(C)C(=O)C 7a_100000065265_100000179758 [0,2,0,0,0,0|0,0,2]=4 13438 B15R0.84 C=C(Br)C(=O)NCCCCCCCCCC 11a_100000684558_100009813364 [0,2,0,0,0,0|1,0,1]=4 13439 B15R0.84 C=C(Br)C(=O)NCCCCCCCCCC 1626a_100000684558_100009813364 [0,2,0,0,0,0|1,0,1]=4 13440 B15R0.84 C=C(C)C(=O)CCCCCCCCCCC 1458a_100000185857_100011215454 [0,2,0,0,0,0|1,0,0]=3 13441 B15R0.84 C=C(C)C(=O)CCCCCCCCCCO 1458a_100000185857_100009813290 [0,2,0,0,0,0|2,0,0]=4 13442 B15R0.84 C=C(C)C(=O)NCCCCCCCCCC 11a_100000684558_100000185857 [0,2,0,0,0,0|1,0,0]=3 13443 B15R0.84 C=C(C)C(=O)NCCCCCCCCCC 1626a_100000684558_100000185857 [0,2,0,0,0,0|1,0,0]=3 13444 B15R0.84 C=C(C)C(=O)NCCCNCCCCCC 2230a_100016987756_100000210314 [0,2,0,0,0,0|2,0,0]=4 13445 B15R0.84 C=C(C)C(=O)NCCNCCCCCCC 2230a_100102636416_100000210681 [0,2,0,0,0,0|2,0,0]=4 13446 B15R0.84 C=C(C)C(=O)OCCCCCCNCCF 34a_100000724931_200010402237 [0,2,0,0,0,0|2,0,0]=4 13447 B15R0.84 C=C(C)C(=O)OCCCCCCNCCO 2230a_100016997473_200010402237 [0,2,0,0,0,0|2,0,0]=4 13448 B15R0.84 C=C(C)C(=O)OCCCCCCNCCO 34a_100016990907_200010402237 [0,2,0,0,0,0|2,0,0]=4 13449 B15R0.84 C=C(C)C(=O)OCCCCCCOCCBr 34a_100000211926_200010402237 [0,2,0,0,0,0|2,0,0]=4 13450 B15R0.84 C=C(C)C(=O)OCCCCCCOCCC 34a_100000210258_200010402237 [0,2,0,0,0,0|1,0,0]=3 13451 B15R0.84 C=C(C)C(=O)OCCCCCCOCCN 34a_100000210304_200010402237 [0,2,0,0,0,0|2,0,0]=4 13452 B15R0.84 C=C(C)C(=O)OCCCCCCSCCC 62a_100000210303_200010402237 [0,2,0,0,0,0|1,0,0]=3 13453 B15R0.84 C=C(C)C(=O)OCCCCCCSCCC 62a_200010402237_100000210303 [0,2,0,0,0,0|1,0,0]=3 13454 B15R0.84 C=C(C)C(=O)OCCCCCCSCCF 62a_100011217306_200010402237 [0,2,0,0,0,0|2,0,0]=4 13455 B15R0.84 C=C(C)C(=O)OCCCCCCSCCF 62a_200010402237_100011217306 [0,2,0,0,0,0|2,0,0]=4 13456 B15R0.84 C=C(C)C(=O)OCCCCCCSCCO 62a_100000211926_200010402237 [0,2,0,0,0,0|2,0,0]=4 13457 B15R0.84 C=C(C)C(=O)OCCCCCCSCCO 62a_200010402237_100000211926 [0,2,0,0,0,0|2,0,0]=4 13458 B15R0.84 C=C(C)C(=O)OCCCCCCSCOC 62a_100000766300_200010402237 [0,2,0,0,0,0|2,0,0]=4 13459 B15R0.84 C=C(C)C(=O)OCCCCCCSCOC 62a_200010402237_100000766300 [0,2,0,0,0,0|2,0,0]=4 13460 B15R0.84 C=C(C)C(=O)OCCCCCCSCSC 62a_100011218213_200010402237 [0,2,0,0,0,0|2,0,0]=4 13461 B15R0.84 C=C(C)C(=O)OCCCCCCSCSC 62a_200010402237_100011218213 [0,2,0,0,0,0|2,0,0]=4 13462 B15R0.84 C=C(C)C(=O)OCCCCOCCCCC 7a_100000065474_100000210326 [0,2,0,0,0,0|1,0,0]=3 13463 B15R0.84 C=C(C)C(=O)OCCCCOCCCCF 7a_100000065474_100000729493 [0,2,0,0,0,0|2,0,0]=4 13464 B15R0.84 C=C(C)C(=O)OCCCCOCCCCO 7a_100000065474_100000210776 [0,2,0,0,0,0|2,0,0]=4 13465 B15R0.84 C=C(C)C(=O)OCCCCOCCCOC 7a_100000065474_100000740836 [0,2,0,0,0,0|2,0,0]=4 13466 B15R0.84 C=C(C)C(=O)OCCCCOCCOCC 7a_100000065474_100011215890 [0,2,0,0,0,0|2,0,0]=4 13467 B15R0.84 C=C(C)C(=O)OCCCCOCCSCC 7a_100000065474_100000757381 [0,2,0,0,0,0|2,0,0]=4 13468 B15R0.84 C=C(C)C(=O)OCCCOCCCCCC 7a_100000032641_100000210314 [0,2,0,0,0,0|1,0,0]=3 13469 B15R0.84 C=C(C)C(=O)OCCCOCCCCCF 7a_100000032641_100000729378 [0,2,0,0,0,0|2,0,0]=4 13470 B15R0.84 C=C(C)C(=O)OCCCOCCCCCO 7a_100000032641_100000746330 [0,2,0,0,0,0|2,0,0]=4 13471 B15R0.84 C=C(C)C(=O)OCCCOCCCCOC 7a_100000032641_100000730899 [0,2,0,0,0,0|2,0,0]=4 13472 B15R0.84 C=C(C)C(=O)OCCCOCCCOCC 7a_100000032641_100012232248 [0,2,0,0,0,0|2,0,0]=4 13473 B15R0.84 C=C(C)C(=O)OCCCOCCOCCC 7a_100000032641_100011215938 [0,2,0,0,0,0|2,0,0]=4 13474 B15R0.84 C=C(C)C(=O)OCCNCCCCCCC 2230a_100000229938_100009816335 [0,2,0,0,0,0|1,0,0]=3 13475 B15R0.84 C=C(C)C(=O)OCCNCCCCCCO 2230a_100000686447_100009816335 [0,2,0,0,0,0|2,0,0]=4 13476 B15R0.84 C=C(C)C(=O)OCCNCCCCCCO 34a_100000686447_100009816335 [0,2,0,0,0,0|2,0,0]=4 13477 B15R0.84 C=C(C)C(=O)OCCNCCCCCOC 2230a_100000747528_100009816335 [0,2,0,0,0,0|2,0,0]=4 13478 B15R0.84 C=C(C)C(=O)OCCNCCCCCOC 34a_100000747528_100009816335 [0,2,0,0,0,0|2,0,0]=4 13479 B15R0.84 C=C(C)C(=O)OCCNCCCOCCC 2230a_100011217757_100009816335 [0,2,0,0,0,0|2,0,0]=4 13480 B15R0.84 C=C(C)C(=O)OCCNCCCOCCC 34a_100011217757_100009816335 [0,2,0,0,0,0|2,0,0]=4 13481 B15R0.84 C=C(C)C(=O)OCCNCCSCCCC 2230a_100025743550_100009816335 [0,2,0,0,0,0|2,0,0]=4 13482 B15R0.84 C=C(C)C(=O)OCCOCCCCCCBr 34a_100011215345_100009816335 [0,2,0,0,0,0|2,0,0]=4 13483 B15R0.84 C=C(C)C(=O)OCCOCCCCCCBr 7a_100011215345_100009816335 [0,2,0,0,0,0|2,0,0]=4 13484 B15R0.84 C=C(C)C(=O)OCCOCCCCCCC 34a_100000210272_100009816335 [0,2,0,0,0,0|1,0,0]=3 13485 B15R0.84 C=C(C)C(=O)OCCOCCCCCCC 7a_100000210272_100009816335 [0,2,0,0,0,0|1,0,0]=3 13486 B15R0.84 C=C(C)C(=O)OCCOCCCCCCCl 34a_100000766143_100009816335 [0,2,0,0,0,0|2,0,0]=4 13487 B15R0.84 C=C(C)C(=O)OCCOCCCCCCCl 7a_100000766143_100009816335 [0,2,0,0,0,0|2,0,0]=4 13488 B15R0.84 C=C(C)C(=O)OCCOCCCCCCF 34a_100000732779_100009816335 [0,2,0,0,0,0|2,0,0]=4 13489 B15R0.84 C=C(C)C(=O)OCCOCCCCCCF 7a_100000732779_100009816335 [0,2,0,0,0,0|2,0,0]=4 13490 B15R0.84 C=C(C)C(=O)OCCOCCCCCCN 34a_100000686447_100009816335 [0,2,0,0,0,0|2,0,0]=4 13491 B15R0.84 C=C(C)C(=O)OCCOCCCCCNC 34a_100000722520_100009816335 [0,2,0,0,0,0|2,0,0]=4 13492 B15R0.84 C=C(C)C(=O)OCCOCCOCCCC 34a_100000210238_100009816335 [0,2,0,0,0,0|2,0,0]=4 13493 B15R0.84 C=C(C)C(=O)OCCOCCOCCCC 7a_100000210238_100009816335 [0,2,0,0,0,0|2,0,0]=4 13494 B15R0.84 C=C(C)C(=O)OCCOCCSCCCC 34a_200000230436_100009816335 [0,2,0,0,0,0|2,0,0]=4 13495 B15R0.84 C=C(C)C(=O)OCCOCCSCCCC 7a_200000230436_100009816335 [0,2,0,0,0,0|2,0,0]=4 13496 B15R0.84 C=C(C)C(=O)OCCSCCCCCCC 62a_100000210614_100009816335 [0,2,0,0,0,0|1,0,0]=3 13497 B15R0.84 C=C(C)C(=O)OCCSCCCCCCC 62a_100009816335_100000210316 [0,2,0,0,0,0|1,0,0]=3 13498 B15R0.84 C=C(C)C(=O)OCCSCCCCCCF 62a_100009816335_100015922095 [0,2,0,0,0,0|2,0,0]=4 13499 B15R0.84 C=C(C)C(=O)OCCSCCCCCCF 62a_100015922095_100009816335 [0,2,0,0,0,0|2,0,0]=4 13500 B15R0.84 C=C(C)C(=O)OCCSCCCCCCO 62a_100000766143_100009816335 [0,2,0,0,0,0|2,0,0]=4 13501 B15R0.84 C=C(C)C(=O)OCCSCCCCCCO 62a_100009816335_100000766143 [0,2,0,0,0,0|2,0,0]=4 13502 B15R0.84 C=C(C)C(=O)OCCSCCOCCCC 62a_100000743108_100009816335 [0,2,0,0,0,0|2,0,0]=4 13503 B15R0.84 C=C(C)C(=O)OCCSCCOCCCC 62a_100009816335_100000743108 [0,2,0,0,0,0|2,0,0]=4 13504 B15R0.84 C=C(C)C(C)NCCCCCCCCCC 269862a_100000684558_100011216138 [0,2,0,0,0,0|2,0,0]=4 13505 B15R0.84 C=C(Cl)C(=O)NCCCCCCCCCC 11a_100000684558_100000039160 [0,2,0,0,0,0|1,0,1]=4 13506 B15R0.84 C=C(Cl)C(=O)NCCCCCCCCCC 1626a_100000684558_100000039160 [0,2,0,0,0,0|1,0,1]=4 13507 B15R0.84 C=C(F)C(=O)NCCCCCCCCCC 11a_100000684558_100000036797 [0,2,0,0,0,0|1,0,1]=4 13508 B15R0.84 C=C(F)C(=O)NCCCCCCCCCC 1626a_100000684558_100000036797 [0,2,0,0,0,0|1,0,1]=4 13509 B15R0.84 C=CCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011933949 [0,2,0,0,0,0|0,0,2]=4 13510 B15R0.84 C=CCCCCCCCCOC(C)C(=O)C 7a_100011215194_100000179758 [0,2,0,0,0,0|0,0,2]=4 13511 B15R0.84 CC(=O)C(=O)CNCCCCCCCCO 34a_102515433106_100011261029 [0,2,0,0,0,0|2,0,0]=4 13512 B15R0.84 CC(=O)C(=O)COCCCCCCCCBr 34a_100009813846_100011261029 [0,2,0,0,0,0|2,0,0]=4 13513 B15R0.84 CC(=O)C(=O)COCCCCCCCCCl 34a_100000033203_100011261029 [0,2,0,0,0,0|2,0,0]=4 13514 B15R0.84 CC(=O)C(=O)COCCCCCCCCN 34a_102515433106_100011261029 [0,2,0,0,0,0|2,0,0]=4 13515 B15R0.84 CC(=O)C(=O)CSCCCCCCCCO 62a_100000033203_100011261029 [0,2,0,0,0,0|2,0,0]=4 13516 B15R0.84 CC(=O)C(=O)CSCCCCCCCCO 62a_100011261029_100000033203 [0,2,0,0,0,0|2,0,0]=4 13517 B15R0.84 CC(=O)C(C)COCCCCCCCCO 34a_100000032740_100000033203 [0,2,0,0,0,0|2,0,0]=4 13518 B15R0.84 CC(=O)C(C)COCCCCCCCCO 7a_100000032740_100000033203 [0,2,0,0,0,0|2,0,0]=4 13519 B15R0.84 CC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100009814033 [0,2,0,0,0,0|2,0,0]=4 13520 B15R0.84 CC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000179758 [0,2,0,0,0,0|1,0,0]=3 13521 B15R0.84 CC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000179758 [0,2,0,0,0,0|1,0,0]=3 13522 B15R0.84 CC(=O)C(C)OCCCCCCCCCO 34a_100000212229_100009813782 [0,2,0,0,0,0|1,0,0]=3 13523 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100009814033 [0,2,0,0,0,0|1,1,0]=4 13524 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009814033_100009813782 [0,2,0,0,0,0|1,1,0]=4 13525 B15R0.84 CC(C)C(=O)CCCCCCCCCCO 1458a_100000210198_100009813290 [0,2,0,0,0,0|2,0,0]=4 13526 B15R0.84 CC(C)C(=O)NCCCCCCCCCO 240690a_100000078944_100000210198 [0,2,0,0,0,0|2,0,0]=4 13527 B15R0.84 CC(C)C(=O)OCSCCCCCCCO 62a_100000139345_100000760002 [0,2,0,0,0,0|2,0,0]=4 13528 B15R0.84 CC(C)C(=O)OCSCCCCCCCO 62a_100000760002_100000139345 [0,2,0,0,0,0|2,0,0]=4 13529 B15R0.84 CC(F)C(=O)CCCCCCCCCCO 1458a_100000062450_100009813290 [0,2,0,0,0,0|2,0,0]=4 13530 B15R0.84 CC(F)C(=O)NCCCCCCCCCO 240690a_100000078944_100000062450 [0,2,0,0,0,0|2,0,0]=4 13531 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 34a_100009813782_100000702099 [0,2,0,0,0,0|1,0,1]=4 13532 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 7a_100009813782_100000702099 [0,2,0,0,0,0|1,0,1]=4 13533 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 34a_100009868337_100000702099 [0,2,0,0,0,0|1,0,1]=4 13534 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 7a_100009868337_100000702099 [0,2,0,0,0,0|1,0,1]=4 13535 B15R0.84 CC(OCCCCCCCCCN)C(=O)N 34a_100000078944_100000702099 [0,2,0,0,0,0|1,0,1]=4 13536 B15R0.84 CCC#CCCCCCCOC(C)C(=O)C 34a_100000212229_200000036426 [0,2,0,0,0,0|0,0,2]=4 13537 B15R0.84 CCCC/C=C/CCCCOC(C)C(=O)C 7a_200020645093_100000179758 [0,2,0,0,0,0|0,0,2]=4 13538 B15R0.84 CCCCC#CCCCCOC(C)C(=O)C 7a_200000066234_100000179758 [0,2,0,0,0,0|0,0,2]=4 13539 B15R0.84 CCCCC/C=C\CCCOC(C)C(=O)C 7a_100020655193_100000179758 [0,2,0,0,0,0|0,0,2]=4 13540 B15R0.84 CCCCCCC#CCCOC(C)C(=O)C 7a_200000033163_100000179758 [0,2,0,0,0,0|0,0,2]=4 13541 B15R0.84 CCCCCCCC#CCOC(C)C(=O)C 7a_200000061759_100000179758 [0,2,0,0,0,0|0,0,2]=4 13542 B15R0.84 CCCCCCCCCC=CC(=O)C(C)C 1458a_200015352897_100000210206 [0,2,0,0,0,0|1,0,1]=4 13543 B15R0.84 CCCCCCCCCC=CC(=O)N(C)C 11a_100102631434_200015352897 [0,2,0,0,0,0|1,0,1]=4 13544 B15R0.84 CCCCCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015352897 [0,2,0,0,0,0|1,0,1]=4 13545 B15R0.84 CCCCCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015352897 [0,2,0,0,0,0|1,0,1]=4 13546 B15R0.84 CCCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100011215454 [0,2,0,0,0,0|1,0,0]=3 13547 B15R0.84 CCCCCCCCCCCC(=O)C(C)C 1458a_100000210736_100000210206 [0,2,0,0,0,0|1,0,0]=3 13548 B15R0.84 CCCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100011215454 [0,2,0,0,0,0|1,0,0]=3 13549 B15R0.84 CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011215454 [0,2,0,0,0,0|1,0,0]=3 13550 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210736 [0,2,0,0,0,0|1,0,0]=3 13551 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210736 [0,2,0,0,0,0|1,0,0]=3 13552 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210736 [0,2,0,0,0,0|1,0,0]=3 13553 B15R0.84 CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215454 [0,2,0,0,0,0|1,0,0]=3 13554 B15R0.84 CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215454 [0,2,0,0,0,0|1,0,0]=3 13555 B15R0.84 CCCCCCCCCCNC(=O)C(=O)N 240690a_100000684558_100011215815 [0,2,0,0,0,0|1,0,1]=4 13556 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 11a_100000684558_100000210198 [0,2,0,0,0,0|1,0,0]=3 13557 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 1626a_100000684558_100000210198 [0,2,0,0,0,0|1,0,0]=3 13558 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 240690a_100000684558_100000210198 [0,2,0,0,0,0|1,0,0]=3 13559 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 527a_100000684558_100000210198 [0,2,0,0,0,0|1,0,0]=3 13560 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 11a_100000684558_100000062450 [0,2,0,0,0,0|1,0,0]=3 13561 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 1626a_100000684558_100000062450 [0,2,0,0,0,0|1,0,0]=3 13562 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 240690a_100000684558_100000062450 [0,2,0,0,0,0|1,0,0]=3 13563 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 527a_100000684558_100000062450 [0,2,0,0,0,0|1,0,0]=3 13564 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 11a_100000684558_100000210393 [0,2,0,0,0,0|1,0,0]=3 13565 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 1626a_100000684558_100000210393 [0,2,0,0,0,0|1,0,0]=3 13566 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 240690a_100000684558_100000210393 [0,2,0,0,0,0|1,0,0]=3 13567 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 527a_100000684558_100000210393 [0,2,0,0,0,0|1,0,0]=3 13568 B15R0.84 CCCCCCCCCCNC(=O)C(O)O 240690a_100000684558_100000233687 [0,2,0,0,0,0|1,0,0]=3 13569 B15R0.84 CCCCCCCCCCNC(=O)N(C)C 2708a_100000684558_100102631434 [0,2,0,0,0,0|1,0,0]=3 13570 B15R0.84 CCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000684558_100000717761 [0,2,0,0,0,0|1,0,0]=3 13571 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 1626a_100000684558_217856618621 [0,2,0,0,0,0|1,0,0]=3 13572 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 240690a_100000684558_217856618621 [0,2,0,0,0,0|1,0,0]=3 13573 B15R0.84 CCCCCCCCCCNC(C)C(=O)C 2230a_100000684558_100009814033 [0,2,0,0,0,0|1,0,0]=3 13574 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 2230a_100000684558_100000702099 [0,2,0,0,0,0|1,0,1]=4 13575 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 34a_100000684558_100000702099 [0,2,0,0,0,0|1,0,1]=4 13576 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 2230a_100000684558_100009813875 [0,2,0,0,0,0|2,0,0]=4 13577 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 34a_100000684558_100009813875 [0,2,0,0,0,0|2,0,0]=4 13578 B15R0.84 CCCCCCCCCCNC(F)C(=O)[O-] 34a_100000684558_100020610796 [0,2,0,0,0,0|2,0,0]=4 13579 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [0,2,0,0,0,0|1,0,1]=4 13580 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210320 [0,2,0,0,0,0|1,0,1]=4 13581 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210320 [0,2,0,0,0,0|1,0,1]=4 13582 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210320 [0,2,0,0,0,0|0,0,0]=2 13583 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 7a_100000210711_100000179758 [0,2,0,0,0,0|0,0,0]=2 13584 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 34a_100000210711_100000702099 [0,2,0,0,0,0|0,0,1]=3 13585 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 7a_100000210711_100000702099 [0,2,0,0,0,0|0,0,1]=3 13586 B15R0.84 CCCCCCCCCCOC(C)C(C)C 7a_100000748068_100000210320 [0,2,0,0,0,0|1,0,1]=4 13587 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 34a_100000210711_100009813875 [0,2,0,0,0,0|1,0,0]=3 13588 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 7a_100000210711_100009813875 [0,2,0,0,0,0|1,0,0]=3 13589 B15R0.84 CCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210711_100020610796 [0,2,0,0,0,0|1,0,0]=3 13590 B15R0.84 CCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210320 [0,2,0,0,0,0|0,0,1]=3 13591 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210320 [0,2,0,0,0,0|0,0,1]=3 13592 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210320 [0,2,0,0,0,0|0,0,1]=3 13593 B15R0.84 CCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210320 [0,2,0,0,0,0|0,1,0]=3 13594 B15R0.84 CCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210320 [0,2,0,0,0,0|0,1,1]=4 13595 B15R0.84 CCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210320 [0,2,0,0,0,0|1,1,0]=4 13596 B15R0.84 CCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210320 [0,2,0,0,0,0|1,1,0]=4 13597 B15R0.84 CCCCCCCCCNCC(=O)C(=O)C 34a_100000212291_100011261029 [0,2,0,0,0,0|1,0,0]=3 13598 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 2230a_100000212291_100000753385 [0,2,0,0,0,0|2,0,0]=4 13599 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 34a_100000212291_100000753385 [0,2,0,0,0,0|2,0,0]=4 13600 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 2230a_100000212291_100000185267 [0,2,0,0,0,0|2,0,0]=4 13601 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011214924 [0,2,0,0,0,0|2,0,0]=4 13602 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 34a_100000212291_100000692301 [0,2,0,0,0,0|2,0,0]=4 13603 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [0,2,0,0,0,0|2,0,0]=4 13604 B15R0.84 CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210670 [0,2,0,0,0,0|2,0,0]=4 13605 B15R0.84 CCCCCCCCCOCC(=O)C(=O)C 34a_100000210712_100011261029 [0,2,0,0,0,0|1,0,0]=3 13606 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 34a_100000210712_100000753385 [0,2,0,0,0,0|2,0,0]=4 13607 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 7a_100000210712_100000753385 [0,2,0,0,0,0|2,0,0]=4 13608 B15R0.84 CCCCCCCCCOCC(=O)N(C)C 34a_100000210712_100000692301 [0,2,0,0,0,0|2,0,0]=4 13609 B15R0.84 CCCCCCCCCOCC(=O)N(C)C 7a_100000210712_100000692301 [0,2,0,0,0,0|2,0,0]=4 13610 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011214924 [0,2,0,0,0,0|1,0,0]=3 13611 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210328 [0,2,0,0,0,0|1,0,0]=3 13612 B15R0.84 CCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011214924 [0,2,0,0,0,0|2,0,0]=4 13613 B15R0.84 CCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210670 [0,2,0,0,0,0|1,0,0]=3 13614 B15R0.84 CCCCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210670 [0,2,0,0,0,0|2,0,0]=4 13615 B15R0.84 CCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210670 [0,2,0,0,0,0|2,0,0]=4 13616 B15R0.84 CCCCCCCCNCCC(=O)N(C)C 2230a_100000229939_100000737620 [0,2,0,0,0,0|2,0,0]=4 13617 B15R0.84 CCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210759 [0,2,0,0,0,0|2,0,0]=4 13618 B15R0.84 CCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210759 [0,2,0,0,0,0|2,0,0]=4 13619 B15R0.84 CCCCCCCCOCCC(=O)N(C)C 7a_100000210232_100000737620 [0,2,0,0,0,0|2,0,0]=4 13620 B15R0.84 CCCCCCCCSCCC(=O)N(C)C 62a_100000210759_100000737620 [0,2,0,0,0,0|2,0,0]=4 13621 B15R0.84 CCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210317 [0,2,0,0,0,0|2,0,0]=4 13622 B15R0.84 CCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210317 [0,2,0,0,0,0|1,0,0]=3 13623 B15R0.84 CCCCCCCCSCOC(=O)C(C)C 62a_100000210759_100000139345 [0,2,0,0,0,0|1,0,0]=3 13624 B15R0.84 CCCCCCCNCCCC(=O)N(C)C 2230a_100000229938_100000737642 [0,2,0,0,0,0|2,0,0]=4 13625 B15R0.84 CCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210681 [0,2,0,0,0,0|2,0,0]=4 13626 B15R0.84 CCCCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210681 [0,2,0,0,0,0|2,0,0]=4 13627 B15R0.84 CCCCCCCNCCNC(=O)C(C)C 34a_100000752568_100000210614 [0,2,0,0,0,0|2,0,0]=4 13628 B15R0.84 CCCCCCCOCCCC(=O)N(C)C 7a_100000210272_100000737642 [0,2,0,0,0,0|2,0,0]=4 13629 B15R0.84 CCCCCCCSCCCC(=O)N(C)C 62a_100000210614_100000737642 [0,2,0,0,0,0|2,0,0]=4 13630 B15R0.84 CCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210316 [0,2,0,0,0,0|2,0,0]=4 13631 B15R0.84 CCCCCCOCCCCC(=O)N(C)C 34a_100000210259_100000752486 [0,2,0,0,0,0|2,0,0]=4 13632 B15R0.84 CCCCCCOCCCCC(=O)N(C)C 7a_100000210259_100000752486 [0,2,0,0,0,0|2,0,0]=4 13633 B15R0.84 CCCCCCOCCOCC(=O)C(=O)C 34a_100000691444_100011261029 [0,2,0,0,0,0|2,0,0]=4 13634 B15R0.84 CCCCCCSCCCCC(=O)N(C)C 62a_100000210314_100000752486 [0,2,0,0,0,0|2,0,0]=4 13635 B15R0.84 CCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210757 [0,2,0,0,0,0|2,0,0]=4 13636 B15R0.84 CCCCNCCCCOCC(=O)C(=O)C 34a_200011216965_100011261029 [0,2,0,0,0,0|2,0,0]=4 13637 B15R0.84 CCCCOCCCCOCC(=O)C(=O)C 34a_200000760531_100011261029 [0,2,0,0,0,0|2,0,0]=4 13638 B15R0.84 CCCCOCCOCCOC(C)C(=O)C 7a_100011215186_100000179758 [0,2,0,0,0,0|2,0,0]=4 13639 B15R0.84 CN(C)C(=O)CCCCCCCCCCO 240690a_100102631434_200000016029 [0,2,0,0,0,0|2,0,0]=4 13640 B15R0.84 CN(C)C(=O)NCCCCCCCCCO 2708a_100000078944_100102631434 [0,2,0,0,0,0|2,0,0]=4 13641 B15R0.84 COCCCCCCSCOC(=O)C(C)C 62a_100000139345_100011998445 [0,2,0,0,0,0|2,0,0]=4 13642 B15R0.84 COCCCCCCSCOC(=O)C(C)C 62a_100011998445_100000139345 [0,2,0,0,0,0|2,0,0]=4 13643 B15R0.84 C[C@@H](O)C(=O)CCCCCCCCCCO 1458a_100000717761_100009813290 [0,2,0,0,0,0|2,0,0]=4 13644 B15R0.84 C[C@@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_100000717761 [0,2,0,0,0,0|2,0,0]=4 13645 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 34a_100000731257_100009813782 [0,2,0,0,0,0|1,0,1]=4 13646 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 7a_100000731257_100009813782 [0,2,0,0,0,0|1,0,1]=4 13647 B15R0.84 C[C@H](O)C(=O)CCCCCCCCCCO 1458a_217856618621_100009813290 [0,2,0,0,0,0|2,0,0]=4 13648 B15R0.84 C[C@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_217856618621 [0,2,0,0,0,0|2,0,0]=4 13649 B15R0.84 C[C@H](OCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813782 [0,2,0,0,0,0|1,0,1]=4 13650 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 34a_100009813782_100009813875 [0,2,0,0,0,0|2,0,0]=4 13651 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 7a_100009813782_100009813875 [0,2,0,0,0,0|2,0,0]=4 13652 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 34a_100009868337_100009813875 [0,2,0,0,0,0|2,0,0]=4 13653 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 7a_100009868337_100009813875 [0,2,0,0,0,0|2,0,0]=4 13654 B15R0.84 NCCCCCCCCCOC(F)C(=O)N 34a_100000078944_100009813875 [0,2,0,0,0,0|2,0,0]=4 13655 B15R0.84 NCCCCCCCCCOC(F)C(=O)[O-] 34a_100000078944_100020610796 [0,2,0,0,0,0|2,0,0]=4 13656 B15R0.84 O=C(CCCCCCCCCCO)C(O)O 1458a_100000233687_100009813290 [0,2,0,0,0,0|2,0,0]=4 13657 B15R0.84 O=C(NCCCCCCCCCO)C(F)F 240690a_100000078944_100000210393 [0,2,0,0,0,0|2,0,0]=4 13658 B15R0.84 O=C(NCCCCCCCCCO)C(O)O 240690a_100000078944_100000233687 [0,2,0,0,0,0|2,0,0]=4 13659 B15R0.84 O=C([O-])C(F)OCCCCCCCCCBr 34a_100009813782_100020610796 [0,2,0,0,0,0|2,0,0]=4 13660 B15R0.84 O=C([O-])C(F)OCCCCCCCCCCl 34a_100009868337_100020610796 [0,2,0,0,0,0|2,0,0]=4 13661 B15R0.189 C=CC(=O)OCCNC(C)CCCCCC 2230a_100000210919_100009813456 [0,2,0,0,0,0|1,0,1]=4 13662 B15R0.189 C=CC(=O)OCCNC(C)CCCCCC 34a_100000210919_100009813456 [0,2,0,0,0,0|1,0,1]=4 13663 B15R0.189 C=CC(=O)OCCOC(C)CCCCCC 34a_100000210265_100009813456 [0,2,0,0,0,0|1,0,1]=4 13664 B15R0.189 C=CC(=O)OCCOC(C)CCCCCC 7a_100000210265_100009813456 [0,2,0,0,0,0|1,0,1]=4 13665 B15R0.189 C=CC(=O)OCCSC(C)CCCCCC 62a_100009813456_100011215978 [0,2,0,0,0,0|1,0,1]=4 13666 B15R0.189 C=CC(=O)OCCSC(C)CCCCCC 62a_100011215978_100009813456 [0,2,0,0,0,0|1,0,1]=4 13667 B15R0.189 CCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210757 [0,2,0,0,0,0|1,0,1]=4 13668 B15R0.189 CCCCCCC(=O)CCCCC(=O)OC 1458a_100102632555_100000204269 [0,2,0,0,0,0|1,0,1]=4 13669 B15R0.189 CCCCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210757 [0,2,0,0,0,0|1,0,1]=4 13670 B15R0.189 CCCCCCC(C)CCOCC(=O)CC 7a_200011024964_100000747405 [0,2,0,0,0,0|2,0,0]=4 13671 B15R0.189 CCCCCCC(C)CCOCC(=O)NC 34a_200011024964_100000183359 [0,2,0,0,0,0|2,0,0]=4 13672 B15R0.189 CCCCCCC(C)CCOCC(=O)NC 7a_200011024964_100000183359 [0,2,0,0,0,0|2,0,0]=4 13673 B15R0.189 CCCCCCC(C)CCOCC(=O)OC 34a_200011024964_100000747449 [0,2,0,0,0,0|2,0,0]=4 13674 B15R0.189 CCCCCCC(C)CCOCC(=O)OC 7a_200011024964_100000747449 [0,2,0,0,0,0|2,0,0]=4 13675 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 2230a_100000210919_100000741757 [0,2,0,0,0,0|2,0,0]=4 13676 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 2230a_100000740002_100011215978 [0,2,0,0,0,0|2,0,0]=4 13677 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 270004a_100000740002_100000210826 [0,2,0,0,0,0|2,0,0]=4 13678 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 34a_100000210919_100000741757 [0,2,0,0,0,0|2,0,0]=4 13679 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 34a_100000740002_100011215978 [0,2,0,0,0,0|2,0,0]=4 13680 B15R0.189 CCCCCCC(C)NCCCC(=O)OC 2230a_100000210919_100011218270 [0,2,0,0,0,0|2,0,0]=4 13681 B15R0.189 CCCCCCC(C)NCCCC(=O)OC 34a_100000210919_100000742333 [0,2,0,0,0,0|2,0,0]=4 13682 B15R0.189 CCCCCCC(C)NCCNC(=O)CC 270004a_100132302217_100000210826 [0,2,0,0,0,0|2,0,0]=4 13683 B15R0.189 CCCCCCC(C)NCCNC(=O)CC 34a_100132302217_100011215978 [0,2,0,0,0,0|2,0,0]=4 13684 B15R0.189 CCCCCCC(C)NCCNC(=O)NC 34a_100015205895_100011215978 [0,2,0,0,0,0|2,0,0]=4 13685 B15R0.189 CCCCCCC(C)NCCOC(=O)NC 34a_100000210919_200011997002 [0,2,0,0,0,0|1,0,0]=3 13686 B15R0.189 CCCCCCC(C)OCCCC(=O)NC 34a_100000210265_100000741757 [0,2,0,0,0,0|2,0,0]=4 13687 B15R0.189 CCCCCCC(C)OCCCC(=O)NC 7a_100000210265_100000741757 [0,2,0,0,0,0|2,0,0]=4 13688 B15R0.189 CCCCCCC(C)OCCCC(=O)OC 34a_100000210265_100000742333 [0,2,0,0,0,0|2,0,0]=4 13689 B15R0.189 CCCCCCC(C)OCCCC(=O)OC 7a_100000210265_100011218270 [0,2,0,0,0,0|2,0,0]=4 13690 B15R0.189 CCCCCCC(C)OCCNC(=O)CC 34a_200000158885_100011215978 [0,2,0,0,0,0|2,0,0]=4 13691 B15R0.189 CCCCCCC(C)OCCNC(=O)CC 7a_200000158885_100011215978 [0,2,0,0,0,0|2,0,0]=4 13692 B15R0.189 CCCCCCC(C)OCCNC(=O)OC 34a_100000757965_100011215978 [0,2,0,0,0,0|2,0,0]=4 13693 B15R0.189 CCCCCCC(C)OCCOC(=O)CC 7a_200000031056_100011215978 [0,2,0,0,0,0|1,0,0]=3 13694 B15R0.189 CCCCCCC(C)OCCOC(=O)NC 34a_100000210265_200011997002 [0,2,0,0,0,0|1,0,0]=3 13695 B15R0.189 CCCCCCC(C)OCCOC(=O)NC 7a_100000210265_200011997002 [0,2,0,0,0,0|1,0,0]=3 13696 B15R0.189 CCCCCCC(C)OCCOC(=O)OC 34a_100010262106_100011215978 [0,2,0,0,0,0|1,0,0]=3 13697 B15R0.189 CCCCCCC(C)SCCCC(=O)NC 62a_100000741757_100011215978 [0,2,0,0,0,0|2,0,0]=4 13698 B15R0.189 CCCCCCC(C)SCCCC(=O)NC 62a_100011215978_100000741757 [0,2,0,0,0,0|2,0,0]=4 13699 B15R0.189 CCCCCCC(C)SCCCC(=O)OC 62a_100011215978_100011218270 [0,2,0,0,0,0|2,0,0]=4 13700 B15R0.189 CCCCCCC(C)SCCCC(=O)OC 62a_100011218270_100011215978 [0,2,0,0,0,0|2,0,0]=4 13701 B15R0.189 CCCCCCC(C)SCCOC(=O)NC 62a_100011215978_200011997002 [0,2,0,0,0,0|1,0,0]=3 13702 B15R0.189 CCCCCCC(C)SCCOC(=O)NC 62a_200011997002_100011215978 [0,2,0,0,0,0|1,0,0]=3 13703 B15R0.189 CCCCCCN(C)CCCCC(=O)OC 2230a_106256046315_100000204269 [0,2,0,0,0,0|2,0,0]=4 13704 B15R0.189 CCCCCCN(C)CCCCC(=O)OC 269982a_106256046315_100000204269 [0,2,0,0,0,0|2,0,0]=4 13705 B15R0.189 CCCCOCC(C)OCCOC(=O)NC 34a_100011217071_200011997002 [0,2,0,0,0,0|2,0,0]=4 13706 B15R0.189 CCCCOCC(C)OCCOC(=O)NC 7a_100011217071_200011997002 [0,2,0,0,0,0|2,0,0]=4 13707 B15R0.253 C#CC(CC)OCCCCCCCCCC 34a_100000758843_100000210320 [0,2,0,0,0,0|1,0,1]=4 13708 B15R0.253 C#CC(CC)OCCCCCCCCCC 7a_100000758843_100000210320 [0,2,0,0,0,0|1,0,1]=4 13709 B15R0.253 C=CC(CC)OCCCCCCCCCC 34a_100000766422_100000210320 [0,2,0,0,0,0|1,0,1]=4 13710 B15R0.253 C=CC(CC)OCCCCCCCCCC 7a_100000766422_100000210320 [0,2,0,0,0,0|1,0,1]=4 13711 B15R0.253 CCCCCCCCCCOC(C=O)C=O 34a_100000210711_100000736813 [0,2,0,0,0,0|0,0,2]=4 13712 B15R0.253 CCCCCCCCCCOC(CC)CC 7a_100000210711_100000210505 [0,2,0,0,0,0|1,0,1]=4 13713 B15R0.253 CCCCCCCCCCOC(CC)CC 7a_100000688536_100000210320 [0,2,0,0,0,0|1,0,1]=4 13714 B15R0.253 CCCCCCCCCCOC(CCl)CCl 7a_100000737055_100000210320 [0,2,0,0,0,0|1,0,1]=4 13715 B15R0.253 CCCCCCCCCCOC(CF)CF 34a_100000032261_100000210320 [0,2,0,0,0,0|1,0,1]=4 13716 B15R0.253 CCCCCCCCCCOC(CF)CF 7a_100000032261_100000210320 [0,2,0,0,0,0|1,0,1]=4 13717 B15R0.253 CCCCCCCCCCOC(CN)CN 34a_100000031598_100000210320 [0,2,0,0,0,0|1,0,1]=4 13718 B15R0.253 CCCCCCCCCCO[C@@H](CF)CCl 34a_100015614560_100000210320 [0,2,0,0,0,0|1,0,1]=4 13719 B15R0.253 CCCCCCCCCCO[C@@H](CF)CCl 7a_100015614560_100000210320 [0,2,0,0,0,0|1,0,1]=4 13720 B15R0.324 C/C=C(\C)/C(=O)CCCCCCCCCC 1458a_100020587367_100000210319 [0,2,0,0,0,0|2,0,0]=4 13721 B15R0.324 C=C(CNCCCCCCCC)C(=O)OC 34a_100000229939_100009813391 [0,2,0,0,0,0|2,0,0]=4 13722 B15R0.324 C=C(COCCCCCCCC)C(=O)OC 34a_100000210232_100009813391 [0,2,0,0,0,0|2,0,0]=4 13723 B15R0.324 C=C(CSCCCCCCCC)C(=O)OC 62a_100000210759_100009813391 [0,2,0,0,0,0|2,0,0]=4 13724 B15R0.324 C=C(CSCCCCCCCC)C(=O)OC 62a_100009813391_100000210317 [0,2,0,0,0,0|2,0,0]=4 13725 B15R0.324 C=CC(=O)N(C)CCCCCCCCCC 1626a_100000207566_100000185746 [0,2,0,0,0,0|1,0,1]=4 13726 B15R0.324 C=CC(=O)N(C)CCCCCCCCCC 240690a_100000207566_200121576911 [0,2,0,0,0,0|1,0,1]=4 13727 B15R0.324 CCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210319 [0,2,0,0,0,0|1,0,0]=3 13728 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 11a_100000207566_100000210414 [0,2,0,0,0,0|1,0,0]=3 13729 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 1626a_100000207566_100000210414 [0,2,0,0,0,0|1,0,0]=3 13730 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 240690a_100000207566_100000210414 [0,2,0,0,0,0|1,0,0]=3 13731 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 527a_100000207566_100000210414 [0,2,0,0,0,0|1,0,0]=3 13732 B15R0.324 CCCCCCCCCCN(C)C(=O)CO 240690a_100000207566_100000210174 [0,2,0,0,0,0|1,0,0]=3 13733 B15R0.324 CCCCCCCCCCN(C)C(=O)CO 527a_100000207566_100000210174 [0,2,0,0,0,0|1,0,0]=3 13734 B15R0.324 CCCCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000207566 [0,2,0,0,0,0|1,0,0]=3 13735 B15R0.324 CCCCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000207566 [0,2,0,0,0,0|1,0,0]=3 13736 B15R0.324 CCCCCCCCCNC(=O)C(=O)NC 1626a_100000212291_100011218921 [0,2,0,0,0,0|2,0,0]=4 13737 B15R0.324 CCCCCCCCCNC(=O)C(=O)NC 240690a_100000212291_100011218921 [0,2,0,0,0,0|2,0,0]=4 13738 B15R0.324 CCCCCCCCCNC(=O)C(=O)NC 527a_100000212291_100011218921 [0,2,0,0,0,0|2,0,0]=4 13739 B15R0.324 CCCCCCCCCNC(=O)C(=O)OC 11a_100000212291_100000024059 [0,2,0,0,0,0|2,0,0]=4 13740 B15R0.324 CCCCCCCCCNC(=O)C(=O)OC 1626a_100000212291_100000024059 [0,2,0,0,0,0|2,0,0]=4 13741 B15R0.324 CCCCCCCCCNC(=O)C(=O)OC 240690a_100000212291_100000024059 [0,2,0,0,0,0|2,0,0]=4 13742 B15R0.324 CCCCCCCCCNC(=O)C(=O)OC 527a_100000212291_100000024059 [0,2,0,0,0,0|2,0,0]=4 13743 B15R0.324 CCCCCCCCCNC(C)C(=O)CC 2230a_100000212291_100000742827 [0,2,0,0,0,0|2,0,0]=4 13744 B15R0.324 CCCCCCCCCNC(C)C(=O)NC 2230a_100000212291_100000731044 [0,2,0,0,0,0|2,0,0]=4 13745 B15R0.324 CCCCCCCCCNC(C)C(=O)NC 34a_100000212291_100000731044 [0,2,0,0,0,0|2,0,0]=4 13746 B15R0.324 CCCCCCCCCNC(C)C(=O)OC 2230a_100000212291_100000211248 [0,2,0,0,0,0|2,0,0]=4 13747 B15R0.324 CCCCCCCCCNC(C)C(=O)OC 34a_100000212291_100000211248 [0,2,0,0,0,0|2,0,0]=4 13748 B15R0.324 CCCCCCCCCNC(F)C(=O)NC 2230a_100000212291_100009813575 [0,2,0,0,0,0|2,0,0]=4 13749 B15R0.324 CCCCCCCCCNC(F)C(=O)NC 34a_100000212291_100009813575 [0,2,0,0,0,0|2,0,0]=4 13750 B15R0.324 CCCCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100011214924 [0,2,0,0,0,0|2,0,0]=4 13751 B15R0.324 CCCCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100011214924 [0,2,0,0,0,0|2,0,0]=4 13752 B15R0.324 CCCCCCCCCOC(C)C(=O)CC 7a_100000210712_100000742827 [0,2,0,0,0,0|2,0,0]=4 13753 B15R0.324 CCCCCCCCCOC(C)C(=O)NC 34a_100000210712_100000731044 [0,2,0,0,0,0|2,0,0]=4 13754 B15R0.324 CCCCCCCCCOC(C)C(=O)NC 7a_100000210712_100000209862 [0,2,0,0,0,0|2,0,0]=4 13755 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 34a_100000210712_100000211248 [0,2,0,0,0,0|2,0,0]=4 13756 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100011214924 [0,2,0,0,0,0|2,0,0]=4 13757 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 7a_100000210712_100000211248 [0,2,0,0,0,0|2,0,0]=4 13758 B15R0.324 CCCCCCCCCOC(F)C(=O)NC 34a_100000210712_100009813575 [0,2,0,0,0,0|2,0,0]=4 13759 B15R0.324 CCCCCCCCCOC(F)C(=O)NC 7a_100000210712_100009813575 [0,2,0,0,0,0|2,0,0]=4 13760 B15R0.324 CCCCCCCCCSC(C)C(=O)CC 62a_100000742827_100000210670 [0,2,0,0,0,0|2,0,0]=4 13761 B15R0.324 CCCCCCCCCSC(C)C(=O)NC 62a_100000209862_100000210670 [0,2,0,0,0,0|2,0,0]=4 13762 B15R0.324 CCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210670 [0,2,0,0,0,0|2,0,0]=4 13763 B15R0.324 CCCCCCCCCSC(F)C(=O)NC 62a_100009813575_100000210670 [0,2,0,0,0,0|2,0,0]=4 13764 B15R0.324 CCCCCCCCNCC(=O)C(=O)OC 34a_100000229939_100011610305 [0,2,0,0,0,0|2,0,0]=4 13765 B15R0.324 CCCCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210759 [0,2,0,0,0,0|2,0,0]=4 13766 B15R0.324 CCCCCCCCNCC(C)C(=O)NC 34a_100015187722_100000210759 [0,2,0,0,0,0|2,0,0]=4 13767 B15R0.324 CCCCCCCCNCC(C)C(=O)OC 34a_100000229939_100000698445 [0,2,0,0,0,0|2,0,0]=4 13768 B15R0.324 CCCCCCCCOCC(=O)C(=O)OC 34a_100000210232_100011610305 [0,2,0,0,0,0|2,0,0]=4 13769 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 34a_100000210232_100000698445 [0,2,0,0,0,0|2,0,0]=4 13770 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210759 [0,2,0,0,0,0|2,0,0]=4 13771 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210759 [0,2,0,0,0,0|2,0,0]=4 13772 B15R0.324 CCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210759 [0,2,0,0,0,0|2,0,0]=4 13773 B15R0.324 CCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210759 [0,2,0,0,0,0|2,0,0]=4 13774 B15R0.324 CCCCCCCCSCC(=O)C(=O)OC 62a_100000210759_100011610305 [0,2,0,0,0,0|2,0,0]=4 13775 B15R0.324 CCCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210317 [0,2,0,0,0,0|2,0,0]=4 13776 B15R0.324 CCCCCCCCSCC(C)C(=O)OC 62a_100000210759_100000698445 [0,2,0,0,0,0|2,0,0]=4 13777 B15R0.324 CCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210317 [0,2,0,0,0,0|2,0,0]=4 13778 B15R0.324 CCCCCCCNCCC(C)C(=O)OC 2230a_100000229938_100000034942 [0,2,0,0,0,0|2,0,0]=4 13779 B15R0.324 CCCCCCCOCCC(C)C(=O)OC 34a_100000210272_100000034942 [0,2,0,0,0,0|2,0,0]=4 13780 B15R0.324 CCCCCCCOCCC(C)C(=O)OC 7a_100000210272_100000034942 [0,2,0,0,0,0|2,0,0]=4 13781 B15R0.324 CCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210316 [0,2,0,0,0,0|2,0,0]=4 13782 B15R0.324 CCCCCCCSCCC(C)C(=O)OC 62a_100000210614_100000034942 [0,2,0,0,0,0|2,0,0]=4 13783 B15R0.324 CNC(=O)C(=O)CCCCCCCCCO 1458a_100011218921_100009813782 [0,2,0,0,0,0|2,0,0]=4 13784 B15R0.366 C#CCC(=O)C=CCCCCCCCCC 1458a_200015352897_100000184674 [0,2,0,0,0,0|1,0,1]=4 13785 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000184674 [0,2,0,0,0,0|1,0,0]=3 13786 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100011220946_100011215454 [0,2,0,0,0,0|1,0,0]=3 13787 B15R0.366 C#CCC(=O)CCCCCCCCCCO 1458a_100011220946_100009813290 [0,2,0,0,0,0|2,0,0]=4 13788 B15R0.366 C#CCC(=O)NCCCCCCCCCC 1626a_100000684558_100011220946 [0,2,0,0,0,0|1,0,0]=3 13789 B15R0.366 C#CCC(=O)NCCCCCCCCCC 527a_100000684558_100011220946 [0,2,0,0,0,0|1,0,0]=3 13790 B15R0.366 C#CCC(C)OCCCCCCCCCC 34a_100000685586_100000210320 [0,2,0,0,0,0|1,0,1]=4 13791 B15R0.366 C#CCC(C)OCCCCCCCCCC 7a_100000685586_100000210320 [0,2,0,0,0,0|1,0,1]=4 13792 B15R0.366 C/C=C/C(C)OCCCCCCCCCC 34a_200102604097_100000210320 [0,2,0,0,0,0|1,0,1]=4 13793 B15R0.366 C=CCC(=O)C=CCCCCCCCCC 1458a_200015352897_100000210623 [0,2,0,0,0,0|1,0,1]=4 13794 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210193_100011215454 [0,2,0,0,0,0|1,0,0]=3 13795 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000210623 [0,2,0,0,0,0|1,0,0]=3 13796 B15R0.366 C=CCC(=O)CCCCCCCCCCO 1458a_100000210193_100009813290 [0,2,0,0,0,0|2,0,0]=4 13797 B15R0.366 C=CCC(=O)NCCCCCCCCCC 11a_100000684558_100000210193 [0,2,0,0,0,0|1,0,0]=3 13798 B15R0.366 C=CCC(=O)NCCCCCCCCCC 1626a_100000684558_100000210193 [0,2,0,0,0,0|1,0,0]=3 13799 B15R0.366 C=CCC(=O)NCCCCCCCCCC 240690a_100000684558_100000210193 [0,2,0,0,0,0|1,0,0]=3 13800 B15R0.366 C=CCC(=O)NCCCCCCCCCC 527a_100000684558_100000210193 [0,2,0,0,0,0|1,0,0]=3 13801 B15R0.366 C=CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210193 [0,2,0,0,0,0|2,0,0]=4 13802 B15R0.366 C=CC[C@@H](C)OCCCCCCCCCC 34a_100000731007_100000210320 [0,2,0,0,0,0|1,0,1]=4 13803 B15R0.366 C=CC[C@@H](C)OCCCCCCCCCC 7a_100000731007_100000210320 [0,2,0,0,0,0|1,0,1]=4 13804 B15R0.366 CC#CC(=O)CCCCCCCCCCC 1458a_100000763181_100011215454 [0,2,0,0,0,0|1,0,0]=3 13805 B15R0.366 CC#CC(=O)CCCCCCCCCCO 1458a_100000763181_100009813290 [0,2,0,0,0,0|2,0,0]=4 13806 B15R0.366 CC#CC(C)OCCCCCCCCCC 34a_100011216543_100000210320 [0,2,0,0,0,0|1,0,1]=4 13807 B15R0.366 CC=CC(=O)CCCCCCCCCCC 1458a_100000210699_100011215454 [0,2,0,0,0,0|1,0,0]=3 13808 B15R0.366 CC=CC(=O)CCCCCCCCCCO 1458a_100000210699_100009813290 [0,2,0,0,0,0|2,0,0]=4 13809 B15R0.366 CC=CC(=O)NCCCCCCCCCC 11a_100000684558_100000210699 [0,2,0,0,0,0|1,0,0]=3 13810 B15R0.366 CC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000210699 [0,2,0,0,0,0|1,0,0]=3 13811 B15R0.366 CC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100000210699 [0,2,0,0,0,0|1,0,0]=3 13812 B15R0.366 CC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100000210699 [0,2,0,0,0,0|2,0,0]=4 13813 B15R0.366 CCCC(=O)CCCCCCCCCCO 1458a_100000211992_100009813290 [0,2,0,0,0,0|2,0,0]=4 13814 B15R0.366 CCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000211992 [0,2,0,0,0,0|2,0,0]=4 13815 B15R0.366 CCCC(=O)OCNCCCCCCCO 2230a_100011996573_100000034017 [0,2,0,0,0,0|2,0,0]=4 13816 B15R0.366 CCCC(=O)OCNCCCCCCCO 34a_100011996573_100000034017 [0,2,0,0,0,0|2,0,0]=4 13817 B15R0.366 CCCC(=O)OCOCCCCCCCBr 34a_100000760002_100000034017 [0,2,0,0,0,0|2,0,0]=4 13818 B15R0.366 CCCC(=O)OCOCCCCCCCN 34a_100011996573_100000034017 [0,2,0,0,0,0|2,0,0]=4 13819 B15R0.366 CCCC(=O)OCOCCCCCCOC 34a_200012092642_100000034017 [0,2,0,0,0,0|2,0,0]=4 13820 B15R0.366 CCCC(=O)OCSCCCCCCCO 62a_100000760002_100000034017 [0,2,0,0,0,0|2,0,0]=4 13821 B15R0.366 CCCC(=O)OCSCCCCCCOC 62a_100011998445_100000034017 [0,2,0,0,0,0|2,0,0]=4 13822 B15R0.366 CCCCCCCCCC=CC(=O)CC#N 1458a_200015352897_100011214920 [0,2,0,0,0,0|1,0,1]=4 13823 B15R0.366 CCCCCCCCCC=CC(=O)CCC 1458a_200015352897_100000210303 [0,2,0,0,0,0|1,0,1]=4 13824 B15R0.366 CCCCCCCCCC=CC(=O)CCF 1458a_200015352897_100011217306 [0,2,0,0,0,0|1,0,1]=4 13825 B15R0.366 CCCCCCCCCC=CC(=O)CCO 1458a_200015352897_100000211926 [0,2,0,0,0,0|1,0,1]=4 13826 B15R0.366 CCCCCCCCCC=CC(=O)NCC 11a_100015525214_200015352897 [0,2,0,0,0,0|1,0,1]=4 13827 B15R0.366 CCCCCCCCCC=CC(=O)NCC 240690a_100015525214_200015352897 [0,2,0,0,0,0|1,0,1]=4 13828 B15R0.366 CCCCCCCCCC=CC(=O)NNC 22a_100016993582_200015352897 [0,2,0,0,0,0|1,0,1]=4 13829 B15R0.366 CCCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100011215454 [0,2,0,0,0,0|1,0,1]=4 13830 B15R0.366 CCCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100011215454 [0,2,0,0,0,0|1,0,1]=4 13831 B15R0.366 CCCCCCCCCCCC(=O)C=CI 1458a_100016256311_100011215454 [0,2,0,0,0,0|1,0,1]=4 13832 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100000210736_100011214920 [0,2,0,0,0,0|1,0,0]=3 13833 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100011215454 [0,2,0,0,0,0|1,0,0]=3 13834 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000210736_100000210303 [0,2,0,0,0,0|1,0,0]=3 13835 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011215454 [0,2,0,0,0,0|1,0,0]=3 13836 B15R0.366 CCCCCCCCCCCC(=O)CCF 1458a_100000210736_100011217306 [0,2,0,0,0,0|1,0,0]=3 13837 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100000210736_100000211926 [0,2,0,0,0,0|1,0,0]=3 13838 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011215454 [0,2,0,0,0,0|1,0,0]=3 13839 B15R0.366 CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011215454 [0,2,0,0,0,0|1,0,0]=3 13840 B15R0.366 CCCCCCCCCCCC(=O)CSC 1458a_100000184570_100011215454 [0,2,0,0,0,0|1,0,0]=3 13841 B15R0.366 CCCCCCCCCCCC(=O)NCC 11a_100015525214_100000210736 [0,2,0,0,0,0|1,0,0]=3 13842 B15R0.366 CCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210736 [0,2,0,0,0,0|1,0,0]=3 13843 B15R0.366 CCCCCCCCCCCC(=O)NNC 22a_100016993582_100000210736 [0,2,0,0,0,0|1,0,0]=3 13844 B15R0.366 CCCCCCCCCCNC(=O)C=CBr 1626a_100000684558_100016273825 [0,2,0,0,0,0|1,0,1]=4 13845 B15R0.366 CCCCCCCCCCNC(=O)C=CBr 240690a_100000684558_100016273825 [0,2,0,0,0,0|1,0,1]=4 13846 B15R0.366 CCCCCCCCCCNC(=O)C=CCl 11a_100000684558_200016279998 [0,2,0,0,0,0|1,0,1]=4 13847 B15R0.366 CCCCCCCCCCNC(=O)C=CCl 1626a_100000684558_200016279998 [0,2,0,0,0,0|1,0,1]=4 13848 B15R0.366 CCCCCCCCCCNC(=O)C=CCl 240690a_100000684558_200016279998 [0,2,0,0,0,0|1,0,1]=4 13849 B15R0.366 CCCCCCCCCCNC(=O)C=CI 1626a_100000684558_100016256311 [0,2,0,0,0,0|1,0,1]=4 13850 B15R0.366 CCCCCCCCCCNC(=O)CC#N 1626a_100000684558_100051588842 [0,2,0,0,0,0|1,0,0]=3 13851 B15R0.366 CCCCCCCCCCNC(=O)CC#N 240690a_100000684558_100051588842 [0,2,0,0,0,0|1,0,0]=3 13852 B15R0.366 CCCCCCCCCCNC(=O)CCC 11a_100000684558_100000211992 [0,2,0,0,0,0|1,0,0]=3 13853 B15R0.366 CCCCCCCCCCNC(=O)CCC 1626a_100000684558_100000211992 [0,2,0,0,0,0|1,0,0]=3 13854 B15R0.366 CCCCCCCCCCNC(=O)CCC 240690a_100000684558_100000211992 [0,2,0,0,0,0|1,0,0]=3 13855 B15R0.366 CCCCCCCCCCNC(=O)CCC 527a_100000684558_100000211992 [0,2,0,0,0,0|1,0,0]=3 13856 B15R0.366 CCCCCCCCCCNC(=O)CCO 240690a_100000684558_100011216618 [0,2,0,0,0,0|1,0,0]=3 13857 B15R0.366 CCCCCCCCCCNC(=O)COC 11a_100000684558_100000210968 [0,2,0,0,0,0|1,0,0]=3 13858 B15R0.366 CCCCCCCCCCNC(=O)COC 1626a_100000684558_100000210968 [0,2,0,0,0,0|1,0,0]=3 13859 B15R0.366 CCCCCCCCCCNC(=O)COC 240690a_100000684558_100000210968 [0,2,0,0,0,0|1,0,0]=3 13860 B15R0.366 CCCCCCCCCCNC(=O)COC 527a_100000684558_100000210968 [0,2,0,0,0,0|1,0,0]=3 13861 B15R0.366 CCCCCCCCCCNC(=O)CSC 11a_100000684558_100000184570 [0,2,0,0,0,0|1,0,0]=3 13862 B15R0.366 CCCCCCCCCCNC(=O)CSC 1626a_100000684558_100000184570 [0,2,0,0,0,0|1,0,0]=3 13863 B15R0.366 CCCCCCCCCCNC(=O)CSC 240690a_100000684558_100000184570 [0,2,0,0,0,0|1,0,0]=3 13864 B15R0.366 CCCCCCCCCCNC(=O)CSC 527a_100000684558_100000184570 [0,2,0,0,0,0|1,0,0]=3 13865 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100000684558_100015525214 [0,2,0,0,0,0|1,0,0]=3 13866 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000684558 [0,2,0,0,0,0|1,0,0]=3 13867 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100000684558_100015525214 [0,2,0,0,0,0|1,0,0]=3 13868 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000684558 [0,2,0,0,0,0|1,0,0]=3 13869 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100000684558_100015525214 [0,2,0,0,0,0|1,0,0]=3 13870 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100015525214_100000684558 [0,2,0,0,0,0|1,0,0]=3 13871 B15R0.366 CCCCCCCCCCNC(=O)NNC 273464a_100000684558_100016993582 [0,2,0,0,0,0|1,0,0]=3 13872 B15R0.366 CCCCCCCCCCNC(=O)NNC 512a_100000684558_100016993582 [0,2,0,0,0,0|1,0,0]=3 13873 B15R0.366 CCCCCCCCCCNC(=O)NNC 512a_100016993582_100000684558 [0,2,0,0,0,0|1,0,0]=3 13874 B15R0.366 CCCCCCCCCCOC(=O)CNC 2230a_106832991635_100000210668 [0,2,0,0,0,0|0,0,0]=2 13875 B15R0.366 CCCCCCCCCCOC(=O)CNC 34a_100102657272_100000210668 [0,2,0,0,0,0|0,0,0]=2 13876 B15R0.366 CCCCCCCCCCOC(=O)CNC 7a_106832991635_100000210668 [0,2,0,0,0,0|0,0,0]=2 13877 B15R0.366 CCCCCCCCCCOC(=O)COC 34a_100138415774_100000210668 [0,2,0,0,0,0|0,0,0]=2 13878 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_100000680656_200000210301 [0,2,0,0,0,0|0,0,0]=2 13879 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_200000210301_100000680656 [0,2,0,0,0,0|0,0,0]=2 13880 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_100000680656_200025704644 [0,2,0,0,0,0|0,0,0]=2 13881 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_200025704644_100000680656 [0,2,0,0,0,0|0,0,0]=2 13882 B15R0.366 CCCCCCCCCCOC(C)CC#N 7a_100000210711_100009813641 [0,2,0,0,0,0|1,0,1]=4 13883 B15R0.366 CCCCCCCCCCOC(C)CCBr 34a_100012276601_100000210320 [0,2,0,0,0,0|1,0,1]=4 13884 B15R0.366 CCCCCCCCCCOC(C)CCC 34a_100000210711_100000766640 [0,2,0,0,0,0|1,0,1]=4 13885 B15R0.366 CCCCCCCCCCOC(C)CCC 34a_100000764384_100000210320 [0,2,0,0,0,0|1,0,1]=4 13886 B15R0.366 CCCCCCCCCCOC(C)CCC 7a_100000210711_100000766640 [0,2,0,0,0,0|1,0,1]=4 13887 B15R0.366 CCCCCCCCCCOC(C)CCC 7a_100000764384_100000210320 [0,2,0,0,0,0|1,0,1]=4 13888 B15R0.366 CCCCCCCCCCOC(C)CCO 34a_100000210711_100009893172 [0,2,0,0,0,0|0,0,2]=4 13889 B15R0.366 CCCCCCCCCCOC(C)CCO 7a_100000210711_100009893172 [0,2,0,0,0,0|0,0,2]=4 13890 B15R0.366 CCCCCCCCCCOC(C)COC 34a_100000210711_100000765312 [0,2,0,0,0,0|0,0,2]=4 13891 B15R0.366 CCCCCCCCCCOC(C)COC 7a_100000210711_100000765312 [0,2,0,0,0,0|0,0,2]=4 13892 B15R0.366 CCCCCCCCCCO[C@H](C)COC 34a_100011934205_100000210320 [0,2,0,0,0,0|0,0,2]=4 13893 B15R0.366 CCCCCCCCCNCC(=O)CCC 2230a_100000212291_100000747444 [0,2,0,0,0,0|2,0,0]=4 13894 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100000212291_100000183381 [0,2,0,0,0,0|2,0,0]=4 13895 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011214924 [0,2,0,0,0,0|2,0,0]=4 13896 B15R0.366 CCCCCCCCCNCC(=O)NCC 34a_100000212291_100000183381 [0,2,0,0,0,0|2,0,0]=4 13897 B15R0.366 CCCCCCCCCNCC(=O)NCO 2230a_100000212291_100000185155 [0,2,0,0,0,0|2,0,0]=4 13898 B15R0.366 CCCCCCCCCNCC(=O)NCO 34a_100000212291_100000185155 [0,2,0,0,0,0|2,0,0]=4 13899 B15R0.366 CCCCCCCCCNCC(=O)OCC 2230a_100000212291_100000188475 [0,2,0,0,0,0|2,0,0]=4 13900 B15R0.366 CCCCCCCCCNCC(=O)OCC 34a_100000212291_100000188475 [0,2,0,0,0,0|2,0,0]=4 13901 B15R0.366 CCCCCCCCCOCC(=O)CCC 7a_100000210712_100000747444 [0,2,0,0,0,0|2,0,0]=4 13902 B15R0.366 CCCCCCCCCOCC(=O)NCC 34a_100000210712_100000183381 [0,2,0,0,0,0|2,0,0]=4 13903 B15R0.366 CCCCCCCCCOCC(=O)NCC 7a_100000210712_100000183381 [0,2,0,0,0,0|2,0,0]=4 13904 B15R0.366 CCCCCCCCCOCC(=O)NCO 34a_100000210712_100000185155 [0,2,0,0,0,0|2,0,0]=4 13905 B15R0.366 CCCCCCCCCOCC(=O)NCO 7a_100000210712_100000185155 [0,2,0,0,0,0|2,0,0]=4 13906 B15R0.366 CCCCCCCCCOCC(=O)OCC 34a_100000210712_100000188475 [0,2,0,0,0,0|2,0,0]=4 13907 B15R0.366 CCCCCCCCCOCC(=O)OCC 7a_100000210712_100000188475 [0,2,0,0,0,0|2,0,0]=4 13908 B15R0.366 CCCCCCCCCSCC(=O)CCC 62a_100000747444_100000210670 [0,2,0,0,0,0|2,0,0]=4 13909 B15R0.366 CCCCCCCCCSCC(=O)NCC 62a_100000183381_100000210670 [0,2,0,0,0,0|2,0,0]=4 13910 B15R0.366 CCCCCCCCCSCC(=O)NCO 62a_100000185155_100000210670 [0,2,0,0,0,0|2,0,0]=4 13911 B15R0.366 CCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210670 [0,2,0,0,0,0|2,0,0]=4 13912 B15R0.366 CCCCCCCCNCCC(=O)NCC 2230a_100000229939_100000737597 [0,2,0,0,0,0|2,0,0]=4 13913 B15R0.366 CCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210759 [0,2,0,0,0,0|2,0,0]=4 13914 B15R0.366 CCCCCCCCNCCC(=O)OCC 2230a_100000229939_100011206558 [0,2,0,0,0,0|2,0,0]=4 13915 B15R0.366 CCCCCCCCNCCC(=O)OCC 34a_100000229939_100000765890 [0,2,0,0,0,0|2,0,0]=4 13916 B15R0.366 CCCCCCCCNCOC(=O)CCC 2230a_100000229939_100000034017 [0,2,0,0,0,0|1,0,0]=3 13917 B15R0.366 CCCCCCCCNCOC(=O)CCC 34a_100000229939_100000034017 [0,2,0,0,0,0|1,0,0]=3 13918 B15R0.366 CCCCCCCCOCCC(=O)NCC 7a_100000210232_100000737597 [0,2,0,0,0,0|2,0,0]=4 13919 B15R0.366 CCCCCCCCOCCC(=O)OCC 34a_100000210232_100000765890 [0,2,0,0,0,0|2,0,0]=4 13920 B15R0.366 CCCCCCCCOCCC(=O)OCC 7a_100000210232_100011206558 [0,2,0,0,0,0|2,0,0]=4 13921 B15R0.366 CCCCCCCCOCOC(=O)CCC 34a_100000210232_100000034017 [0,2,0,0,0,0|1,0,0]=3 13922 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000210759_100000737597 [0,2,0,0,0,0|2,0,0]=4 13923 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210317 [0,2,0,0,0,0|2,0,0]=4 13924 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000210759_100000765890 [0,2,0,0,0,0|2,0,0]=4 13925 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210317 [0,2,0,0,0,0|2,0,0]=4 13926 B15R0.366 CCCCCCCCSCOC(=O)CCC 62a_100000210759_100000034017 [0,2,0,0,0,0|1,0,0]=3 13927 B15R0.366 CCCCCCCCSCOC(=O)OCC 62a_100000210759_100000075025 [0,2,0,0,0,0|1,0,0]=3 13928 B15R0.366 CCCCCCCNCCCC(=O)OCC 2230a_100000229938_100009991533 [0,2,0,0,0,0|2,0,0]=4 13929 B15R0.366 CCCCCCCOCCCC(=O)OCC 34a_100000210272_100009991533 [0,2,0,0,0,0|2,0,0]=4 13930 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100000210272_100011215271 [0,2,0,0,0,0|2,0,0]=4 13931 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210614 [0,2,0,0,0,0|2,0,0]=4 13932 B15R0.366 CCCCCCCOCCNC(=O)OCC 34a_100000158857_100000210614 [0,2,0,0,0,0|2,0,0]=4 13933 B15R0.366 CCCCCCCOCCNC(=O)OCC 7a_100000210272_200011445536 [0,2,0,0,0,0|2,0,0]=4 13934 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100000210614_100009991533 [0,2,0,0,0,0|2,0,0]=4 13935 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210316 [0,2,0,0,0,0|2,0,0]=4 13936 B15R0.366 CCCCCCCSCCNC(=O)OCC 62a_100000210614_200011445536 [0,2,0,0,0,0|2,0,0]=4 13937 B15R0.366 CCCCCCNCCCCC(=O)OCC 2230a_100000210581_100000750268 [0,2,0,0,0,0|2,0,0]=4 13938 B15R0.366 CCCCCCOCCCCC(=O)OCC 34a_100000210259_100000750268 [0,2,0,0,0,0|2,0,0]=4 13939 B15R0.366 CCCCCCOCCCCC(=O)OCC 7a_100000210259_100000750268 [0,2,0,0,0,0|2,0,0]=4 13940 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000210314_100000750268 [0,2,0,0,0,0|2,0,0]=4 13941 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210757 [0,2,0,0,0,0|2,0,0]=4 13942 B15R0.366 CCCCCNCCCCCC(=O)OCC 2230a_100000209983_100000755133 [0,2,0,0,0,0|2,0,0]=4 13943 B15R0.366 CCCCCNCCOCOC(=O)CCC 34a_100000224656_100000034017 [0,2,0,0,0,0|2,0,0]=4 13944 B15R0.366 CCCCCOCCCCCC(=O)OCC 34a_100000210253_100000755133 [0,2,0,0,0,0|2,0,0]=4 13945 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100000210253_100000755133 [0,2,0,0,0,0|2,0,0]=4 13946 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210326 [0,2,0,0,0,0|2,0,0]=4 13947 B15R0.366 CCCCCOCCOCOC(=O)CCC 34a_100011215259_100000034017 [0,2,0,0,0,0|2,0,0]=4 13948 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000210326_100000755133 [0,2,0,0,0,0|2,0,0]=4 13949 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210326 [0,2,0,0,0,0|2,0,0]=4 13950 B15R0.366 CCCCNCCCCCCC(=O)OCC 2230a_100000102301_100009814379 [0,2,0,0,0,0|2,0,0]=4 13951 B15R0.366 CCCCNCCCCCCC(=O)OCC 7a_106832991798_100009814379 [0,2,0,0,0,0|2,0,0]=4 13952 B15R0.366 CCCCOCCCCCCC(=O)OCC 34a_100000210227_100009814379 [0,2,0,0,0,0|2,0,0]=4 13953 B15R0.366 CCCCOCCCCCCC(=O)OCC 7a_100000210227_100009814379 [0,2,0,0,0,0|2,0,0]=4 13954 B15R0.366 CCCCOCCCNCOC(=O)CCC 2230a_200000211371_100000034017 [0,2,0,0,0,0|2,0,0]=4 13955 B15R0.366 CCCCOCCCNCOC(=O)CCC 34a_200000211371_100000034017 [0,2,0,0,0,0|2,0,0]=4 13956 B15R0.366 CCCCOCCCOCOC(=O)CCC 34a_200011215613_100000034017 [0,2,0,0,0,0|2,0,0]=4 13957 B15R0.366 CCCCSCCCCCCC(=O)OCC 62a_100000210211_100009814379 [0,2,0,0,0,0|2,0,0]=4 13958 B15R0.366 CCCOCCCCCCCC(=O)OCC 34a_100000210258_100009991516 [0,2,0,0,0,0|2,0,0]=4 13959 B15R0.366 CCCSCCCCCCCC(=O)OCC 62a_100000210303_100009991516 [0,2,0,0,0,0|2,0,0]=4 13960 B15R0.366 CCNC(=O)CCCCCCCCCCO 240690a_100015525214_200000016029 [0,2,0,0,0,0|2,0,0]=4 13961 B15R0.366 CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100015525214 [0,2,0,0,0,0|2,0,0]=4 13962 B15R0.366 CCNC(=O)NCCCCCCCCCO 2708a_100015525214_100000078944 [0,2,0,0,0,0|2,0,0]=4 13963 B15R0.366 CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100015525214 [0,2,0,0,0,0|2,0,0]=4 13964 B15R0.366 CCNC(=O)NCCCCCCCCCO 273464a_100015525214_100000078944 [0,2,0,0,0,0|2,0,0]=4 13965 B15R0.366 CCNC(=O)NCCCCCCCCCO 512a_100000078944_100015525214 [0,2,0,0,0,0|2,0,0]=4 13966 B15R0.366 CCNC(=O)NCCCCCCCCCO 512a_100015525214_100000078944 [0,2,0,0,0,0|2,0,0]=4 13967 B15R0.366 CCNCCCCCCCCC(=O)OCC 2230a_100015525214_100010175975 [0,2,0,0,0,0|2,0,0]=4 13968 B15R0.366 CCOC(=O)CCCCCCCCCNC 2230a_106832991635_100009828014 [0,2,0,0,0,0|2,0,0]=4 13969 B15R0.366 CCOC(=O)CCCCCCCCCNC 34a_100102657272_100009828014 [0,2,0,0,0,0|2,0,0]=4 13970 B15R0.366 CCOC(=O)CCCCCCCCCNC 7a_106832991635_100009828014 [0,2,0,0,0,0|2,0,0]=4 13971 B15R0.366 CCOC(=O)CCCCCCCCCOC 34a_100138415774_100009828014 [0,2,0,0,0,0|2,0,0]=4 13972 B15R0.366 CCOC(=O)CCCCCCCCCSC 62a_200000210301_100009828014 [0,2,0,0,0,0|2,0,0]=4 13973 B15R0.366 CCOC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009828014 [0,2,0,0,0,0|2,0,0]=4 13974 B15R0.366 CCOC(=O)CCCCCCCCSCC 62a_100000210202_100010175975 [0,2,0,0,0,0|2,0,0]=4 13975 B15R0.366 CCOC(=O)OCSCCCCCCCO 62a_100000760002_100000075025 [0,2,0,0,0,0|2,0,0]=4 13976 B15R0.366 CCOC(=O)OCSCCCCCCOC 62a_100011998445_100000075025 [0,2,0,0,0,0|2,0,0]=4 13977 B15R0.366 CCOCCCCCCCCC(=O)OCC 34a_100121572206_100010175975 [0,2,0,0,0,0|2,0,0]=4 13978 B15R0.366 CNNC(=O)CCCCCCCCCCO 22a_100016993582_200000016029 [0,2,0,0,0,0|2,0,0]=4 13979 B15R0.366 CNNC(=O)NCCCCCCCCCO 273464a_100000078944_100016993582 [0,2,0,0,0,0|2,0,0]=4 13980 B15R0.366 CNNC(=O)NCCCCCCCCCO 512a_100000078944_100016993582 [0,2,0,0,0,0|2,0,0]=4 13981 B15R0.366 CNNC(=O)NCCCCCCCCCO 512a_100016993582_100000078944 [0,2,0,0,0,0|2,0,0]=4 13982 B15R0.366 COCC(=O)CCCCCCCCCCO 1458a_100000210968_100009813290 [0,2,0,0,0,0|2,0,0]=4 13983 B15R0.366 COCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210968 [0,2,0,0,0,0|2,0,0]=4 13984 B15R0.366 CSCC(=O)CCCCCCCCCCO 1458a_100000184570_100009813290 [0,2,0,0,0,0|2,0,0]=4 13985 B15R0.366 CSCC(=O)NCCCCCCCCCO 240690a_100000078944_100000184570 [0,2,0,0,0,0|2,0,0]=4 13986 B15R0.366 N#CCC(=O)CCCCCCCCCCO 1458a_100051588842_100009813290 [0,2,0,0,0,0|2,0,0]=4 13987 B15R0.366 N#CCC(=O)NCCCCCCCCCO 240690a_100000078944_100051588842 [0,2,0,0,0,0|2,0,0]=4 13988 B15R0.366 O=C(CCO)CCCCCCCCCCO 1458a_100011216618_100009813290 [0,2,0,0,0,0|2,0,0]=4 13989 B15R0.366 O=C(CCO)NCCCCCCCCCO 240690a_100000078944_100011216618 [0,2,0,0,0,0|2,0,0]=4 13990 B15R0.384 C=CC(=O)OCCCCCCC(=O)CCC 1458a_100000211992_100009894100 [0,2,0,0,0,0|0,0,2]=4 13991 B15R0.384 C=CC(=O)OCCCCCCN(C)CCC 2230a_100000747261_100009894100 [0,2,0,0,0,0|1,0,1]=4 13992 B15R0.384 C=CC(=O)OCCCCCCN(C)CCC 269982a_100000747261_100009894100 [0,2,0,0,0,0|1,0,1]=4 13993 B15R0.384 C=CC(=O)OCCCCCOC(C)CCC 7a_200011023508_100000766640 [0,2,0,0,0,0|1,0,1]=4 13994 B15R0.384 C=CC(=O)OCCOCCCC(C)CCC 34a_100011713154_100009813456 [0,2,0,0,0,0|1,0,1]=4 13995 B15R0.384 C=CC(=O)OCCOCCCC(C)CCC 7a_100011713154_100009813456 [0,2,0,0,0,0|1,0,1]=4 13996 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210303 [0,2,0,0,0,0|1,0,1]=4 13997 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000211992_100010004213 [0,2,0,0,0,0|1,0,1]=4 13998 B15R0.384 CCCC(C)CCCOCCCC(=O)NC 34a_100011713154_100000741757 [0,2,0,0,0,0|2,0,0]=4 13999 B15R0.384 CCCC(C)CCCOCCCC(=O)NC 7a_100011713154_100000741757 [0,2,0,0,0,0|2,0,0]=4 14000 B15R0.384 CCCC(C)CCCOCCCC(=O)OC 34a_100011713154_100000742333 [0,2,0,0,0,0|2,0,0]=4 14001 B15R0.384 CCCC(C)CCCOCCCC(=O)OC 7a_100011713154_100011218270 [0,2,0,0,0,0|2,0,0]=4 14002 B15R0.384 CCCC(C)CCCOCCOC(=O)NC 34a_100011713154_200011997002 [0,2,0,0,0,0|1,0,0]=3 14003 B15R0.384 CCCC(C)CCCOCCOC(=O)NC 7a_100011713154_200011997002 [0,2,0,0,0,0|1,0,0]=3 14004 B15R0.384 CCCC(C)CCOCCCCC(=O)OC 34a_100011217855_100000204269 [0,2,0,0,0,0|2,0,0]=4 14005 B15R0.384 CCCC(C)CCOCCCCC(=O)OC 7a_100011217855_100000204269 [0,2,0,0,0,0|2,0,0]=4 14006 B15R0.384 CCCC(C)COCCCCCC(=O)OC 34a_100000074720_100011216630 [0,2,0,0,0,0|2,0,0]=4 14007 B15R0.384 CCCC(C)COCCCCCC(=O)OC 34a_100000688023_100009816466 [0,2,0,0,0,0|2,0,0]=4 14008 B15R0.384 CCCC(C)COCCCCCC(=O)OC 7a_100000074720_100011216630 [0,2,0,0,0,0|2,0,0]=4 14009 B15R0.384 CCCC(C)COCCCCCC(=O)OC 7a_100000688023_100009816466 [0,2,0,0,0,0|2,0,0]=4 14010 B15R0.384 CCCC(C)CSCCCCCC(=O)OC 62a_100009816466_100011216630 [0,2,0,0,0,0|2,0,0]=4 14011 B15R0.384 CCCC(C)CSCCCCCC(=O)OC 62a_100011216630_100009816466 [0,2,0,0,0,0|2,0,0]=4 14012 B15R0.384 CCCC(C)NCCCCCCC(=O)OC 2230a_100000741246_100009815986 [0,2,0,0,0,0|2,0,0]=4 14013 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 34a_100000764384_100009815986 [0,2,0,0,0,0|2,0,0]=4 14014 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 34a_100009863599_100000766640 [0,2,0,0,0,0|2,0,0]=4 14015 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 7a_100000764384_100009815986 [0,2,0,0,0,0|2,0,0]=4 14016 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 7a_100009863599_100000766640 [0,2,0,0,0,0|2,0,0]=4 14017 B15R0.384 CCCC(C)SCCCCCCC(=O)OC 62a_100000766640_100009815986 [0,2,0,0,0,0|2,0,0]=4 14018 B15R0.384 CCCC(C)SCCCCCCC(=O)OC 62a_100009815986_100000766640 [0,2,0,0,0,0|2,0,0]=4 14019 B15R0.384 CCCN(C)CCCCCCCC(=O)OC 2230a_100000747261_100010004213 [0,2,0,0,0,0|2,0,0]=4 14020 B15R0.384 CCCN(C)CCCCCCCC(=O)OC 269982a_100000747261_100010004213 [0,2,0,0,0,0|2,0,0]=4 14021 B15R0.384 CCC[C@H](N)CCOCCCCC(=O)OC 34a_100015193777_100000204269 [0,2,0,0,0,0|2,0,0]=4 14022 B15R0.384 CCC[C@H](N)COCCCCCC(=O)OC 34a_100000732646_100009816466 [0,2,0,0,0,0|2,0,0]=4 14023 B15R0.2405 C#CC(C)OCC(C)CCCCCCCC 34a_200012125181_200000035995 [0,2,0,0,0,0|1,0,1]=4 14024 B15R0.2405 CCCCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210759 [0,2,0,0,0,0|1,0,1]=4 14025 B15R0.2405 CCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210759 [0,2,0,0,0,0|1,0,1]=4 14026 B15R0.2405 CCCCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210759 [0,2,0,0,0,0|1,0,1]=4 14027 B15R0.2405 CCCCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210759 [0,2,0,0,0,0|1,0,1]=4 14028 B15R0.2405 CCCCCCCCC(C)COC(C)C#N 7a_200012125181_100000703298 [0,2,0,0,0,0|1,0,1]=4 14029 B15R0.2405 CCCCCCCCC(C)COC(C)CC 34a_200012125181_100011215416 [0,2,0,0,0,0|1,0,1]=4 14030 B15R0.2405 CCCCCCCCC(C)COC(C)CC 7a_200012125181_100000758301 [0,2,0,0,0,0|1,0,1]=4 14031 B15R0.2405 CCCCCCCCC(C)COC(C)CO 34a_200012125181_100012180447 [0,2,0,0,0,0|0,0,2]=4 14032 B15R0.2405 CCCCCCCCC(C)COC(C)CO 7a_200012125181_100012180447 [0,2,0,0,0,0|0,0,2]=4 14033 B15R0.2405 CCCCCCCCC(C)NCC(=O)NC 270004a_100000693194_100011216694 [0,2,0,0,0,0|2,0,0]=4 14034 B15R0.2405 CCCCCCCCC(C)OCC(=O)CC 7a_100000210740_100000747405 [0,2,0,0,0,0|2,0,0]=4 14035 B15R0.2405 CCCCCCCCC(C)OCC(=O)NC 34a_100000210740_100000183359 [0,2,0,0,0,0|2,0,0]=4 14036 B15R0.2405 CCCCCCCCC(C)OCC(=O)NC 7a_100000210740_100000183359 [0,2,0,0,0,0|2,0,0]=4 14037 B15R0.2405 CCCCCCCCC(C)OCC(=O)OC 34a_100000210740_100000747449 [0,2,0,0,0,0|2,0,0]=4 14038 B15R0.2405 CCCCCCCCC(C)OCC(=O)OC 7a_100000210740_100000747449 [0,2,0,0,0,0|2,0,0]=4 14039 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 2230a_100000207567_100000737683 [0,2,0,0,0,0|2,0,0]=4 14040 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210759 [0,2,0,0,0,0|2,0,0]=4 14041 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 269982a_100000207567_100000737683 [0,2,0,0,0,0|2,0,0]=4 14042 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210759 [0,2,0,0,0,0|2,0,0]=4 14043 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 2230a_100000207567_100000204255 [0,2,0,0,0,0|2,0,0]=4 14044 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 269982a_100000207567_100000204255 [0,2,0,0,0,0|2,0,0]=4 14045 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210759 [0,2,0,0,0,0|2,0,0]=4 14046 B15R0.3221 C#CC(C)OC(C)CCCCCCCCC 34a_100011218016_200000035995 [0,2,0,0,0,0|1,0,1]=4 14047 B15R0.3221 CCCCCCCCCC(=O)CC(=O)CC 1458a_100000210558_100000747405 [0,2,0,0,0,0|1,0,1]=4 14048 B15R0.3221 CCCCCCCCCC(=O)CC(=O)NC 1458a_100000210558_100000183359 [0,2,0,0,0,0|1,0,1]=4 14049 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000210558_100000747449 [0,2,0,0,0,0|1,0,1]=4 14050 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210670 [0,2,0,0,0,0|1,0,1]=4 14051 B15R0.3221 CCCCCCCCCC(C)OC(C)C#N 7a_100011218016_100000703298 [0,2,0,0,0,0|1,0,1]=4 14052 B15R0.3221 CCCCCCCCCC(C)OC(C)CC 34a_100011218016_100011215416 [0,2,0,0,0,0|1,0,1]=4 14053 B15R0.3221 CCCCCCCCCC(C)OC(C)CC 7a_100011218016_100000758301 [0,2,0,0,0,0|1,0,1]=4 14054 B15R0.3221 CCCCCCCCCC(C)OC(C)CO 34a_100011218016_100012180447 [0,2,0,0,0,0|0,0,2]=4 14055 B15R0.3221 CCCCCCCCCC(C)OC(C)CO 7a_100011218016_100012180447 [0,2,0,0,0,0|0,0,2]=4 14056 B15R0.3221 CCCCCCCCCC(O)CC(=O)NC 1626a_100102657272_200012339438 [0,2,0,0,0,0|1,0,0]=3 14057 B15R0.3221 CCCCCCCCCC(O)CC(=O)NC 240690a_100102657272_200012339438 [0,2,0,0,0,0|1,0,0]=3 14058 B15R0.3221 CCCCCCCCCN(C)CC(=O)CC 269982a_100000232482_100000747405 [0,2,0,0,0,0|2,0,0]=4 14059 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011214924 [0,2,0,0,0,0|2,0,0]=4 14060 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 2230a_100000232482_100000183359 [0,2,0,0,0,0|2,0,0]=4 14061 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 269982a_100000232482_100000183359 [0,2,0,0,0,0|2,0,0]=4 14062 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011214924 [0,2,0,0,0,0|2,0,0]=4 14063 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000232482_100000747449 [0,2,0,0,0,0|2,0,0]=4 14064 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 269982a_100000232482_100000747449 [0,2,0,0,0,0|2,0,0]=4 14065 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 2230a_100000229939_100009817358 [0,2,0,0,0,0|2,0,0]=4 14066 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 34a_100000229939_100009817358 [0,2,0,0,0,0|2,0,0]=4 14067 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 34a_100000210232_100009817358 [0,2,0,0,0,0|2,0,0]=4 14068 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 7a_100000210232_100009817358 [0,2,0,0,0,0|2,0,0]=4 14069 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100000210759_100009817358 [0,2,0,0,0,0|2,0,0]=4 14070 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210317 [0,2,0,0,0,0|2,0,0]=4 14071 B15R0.3221 CCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210272_100000754131 [0,2,0,0,0,0|2,0,0]=4 14072 B15R0.3221 CCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210272_100000754131 [0,2,0,0,0,0|2,0,0]=4 14073 B15R0.3221 CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000210614_100000754131 [0,2,0,0,0,0|2,0,0]=4 14074 B15R0.3221 CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210316 [0,2,0,0,0,0|2,0,0]=4 14075 B15R0.195 CCCCCCC(C)CCOC(C)C(=O)C 7a_200011024964_100000179758 [0,2,0,0,0,0|2,0,0]=4 14076 B15R0.321 CCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210558_100000179758 [0,2,0,0,0,0|1,0,1]=4 14077 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)C 2230a_100000232482_100009814033 [0,2,0,0,0,0|2,0,0]=4 14078 B15R0.321 CCCCCCCCCN(C)C(C)C(=O)C 269982a_100000232482_100009814033 [0,2,0,0,0,0|2,0,0]=4 14079 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100011214924 [0,2,0,0,0,0|2,0,0]=4 14080 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)C 7a_100000210712_100000075568 [0,2,0,0,0,0|2,0,0]=4 14081 B15R0.1626 CCCCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210328 [0,2,0,0,0,0|2,0,0]=4 14082 B15R0.1626 CCCCCCCCCSC(C)(C)C(=O)C 62a_100000075568_100000210670 [0,2,0,0,0,0|2,0,0]=4 14083 B15R0.3230 CCCCCCCCC(=O)CC(=O)C(=O)C 1458a_100000210188_100011261029 [0,2,0,0,0,0|1,0,1]=4 14084 B15R0.3230 CCCCCCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210759 [0,2,0,0,0,0|1,0,1]=4 14085 B15R0.3230 CCCCCCCCC(C)OC(C)C(=O)C 7a_100000210740_100000179758 [0,2,0,0,0,0|2,0,0]=4 14086 B15R0.3230 CCCCCCCCN(C)CC(=O)C(=O)C 269982a_100000207567_100011261029 [0,2,0,0,0,0|2,0,0]=4 14087 B15R0.88 C#CCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100153394163 [0,2,0,0,0,0|0,0,2]=4 14088 B15R0.88 C#CCCCCCOCC(O)COC(=O)C 34a_100000766912_200000139349 [0,2,0,0,0,0|0,0,2]=4 14089 B15R0.88 C#CCCCCCOCC(O)COC(=O)C 7a_100000766912_200000139349 [0,2,0,0,0,0|0,0,2]=4 14090 B15R0.88 C#CCCCCCSCC(O)COC(=O)C 62a_100012094781_200000139349 [0,2,0,0,0,0|0,0,2]=4 14091 B15R0.88 C#CCCCCCSCC(O)COC(=O)C 62a_200000139349_100012094781 [0,2,0,0,0,0|0,0,2]=4 14092 B15R0.88 C=C(C)CCC(=O)CCCCCCCCC 1458a_100000210558_100000730704 [0,2,0,0,0,0|2,0,0]=4 14093 B15R0.88 C=C(C)CCC(=O)CCCCCCCCC 1458a_200000688413_100000210670 [0,2,0,0,0,0|2,0,0]=4 14094 B15R0.88 C=C(C)CCC(C)NCCCCCCCC 270004a_100000229939_100011215600 [0,2,0,0,0,0|2,0,0]=4 14095 B15R0.88 C=C(C)CCN(C)CCCCCCCCC 2230a_100000232482_100000730704 [0,2,0,0,0,0|2,0,0]=4 14096 B15R0.88 C=C(C)CCN(C)CCCCCCCCC 269982a_100000232482_100000730704 [0,2,0,0,0,0|2,0,0]=4 14097 B15R0.88 C=C(C)COC(C)CCCCCCCCC 34a_100011218016_100000748629 [0,2,0,0,0,0|1,0,0]=3 14098 B15R0.88 C=C(C)COC(C)CCCCCCCCC 7a_100011218016_100000748629 [0,2,0,0,0,0|1,0,0]=3 14099 B15R0.88 C=C(F)COC(C)CCCCCCCCC 34a_100011218016_100009893438 [0,2,0,0,0,0|1,0,1]=4 14100 B15R0.88 C=C(F)COC(C)CCCCCCCCC 7a_100011218016_100000042424 [0,2,0,0,0,0|1,0,1]=4 14101 B15R0.88 C=CCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100012355270 [0,2,0,0,0,0|0,0,2]=4 14102 B15R0.88 C=CCCCCCOCC(O)COC(=O)C 34a_100011216702_200000139349 [0,2,0,0,0,0|0,0,2]=4 14103 B15R0.88 C=CCCCCCOCC(O)COC(=O)C 7a_100011216702_200000139349 [0,2,0,0,0,0|0,0,2]=4 14104 B15R0.88 C=CCCCCCSCC(O)COC(=O)C 62a_100000700193_200000139349 [0,2,0,0,0,0|0,0,2]=4 14105 B15R0.88 C=CCCCCCSCC(O)COC(=O)C 62a_200000139349_100000700193 [0,2,0,0,0,0|0,0,2]=4 14106 B15R0.88 CC(=O)NCC(=O)CCCCCCCCO 1458a_100000194580_100000033203 [0,2,0,0,0,0|1,0,1]=4 14107 B15R0.88 CC(=O)OCC(=O)CCCCCCCCO 1458a_100000183556_100000033203 [0,2,0,0,0,0|0,0,1]=3 14108 B15R0.88 CC(=O)OCC(=O)CNCCCCCCO 34a_100000686447_100000036994 [0,2,0,0,0,0|1,0,1]=4 14109 B15R0.88 CC(=O)OCC(=O)COCCCCCCBr 34a_100011215345_100000036994 [0,2,0,0,0,0|1,0,1]=4 14110 B15R0.88 CC(=O)OCC(=O)COCCCCCCCl 34a_100000766143_100000036994 [0,2,0,0,0,0|1,0,1]=4 14111 B15R0.88 CC(=O)OCC(=O)COCCCCCCF 34a_100000732779_100000036994 [0,2,0,0,0,0|1,0,1]=4 14112 B15R0.88 CC(=O)OCC(=O)COCCCCCCN 34a_100000686447_100000036994 [0,2,0,0,0,0|1,0,1]=4 14113 B15R0.88 CC(=O)OCC(=O)CSCCCCCCF 62a_100000036994_100015922095 [0,2,0,0,0,0|1,0,1]=4 14114 B15R0.88 CC(=O)OCC(=O)CSCCCCCCF 62a_100015922095_100000036994 [0,2,0,0,0,0|1,0,1]=4 14115 B15R0.88 CC(=O)OCC(=O)CSCCCCCCO 62a_100000036994_100000766143 [0,2,0,0,0,0|1,0,1]=4 14116 B15R0.88 CC(=O)OCC(=O)CSCCCCCCO 62a_100000766143_100000036994 [0,2,0,0,0,0|1,0,1]=4 14117 B15R0.88 CC(=O)OCC(=O)NCCCCCCCO 240690a_100011996573_100000183556 [0,2,0,0,0,0|1,0,1]=4 14118 B15R0.88 CC(=O)OCC(C)NCCCCCCCO 270004a_100011996573_100000000629 [0,2,0,0,0,0|1,0,0]=3 14119 B15R0.88 CC(=O)OCC(C)NCCCOCCCO 270004a_100011310245_100000000629 [0,2,0,0,0,0|2,0,0]=4 14120 B15R0.88 CC(=O)OCC(O)CNCCCCCCO 34a_100000686447_200000139349 [0,2,0,0,0,0|1,0,0]=3 14121 B15R0.88 CC(=O)OCC(O)COCCCCCCBr 34a_100011215345_200000139349 [0,2,0,0,0,0|1,0,0]=3 14122 B15R0.88 CC(=O)OCC(O)COCCCCCCBr 7a_100011215345_200000139349 [0,2,0,0,0,0|1,0,0]=3 14123 B15R0.88 CC(=O)OCC(O)COCCCCCCCl 34a_100000766143_200000139349 [0,2,0,0,0,0|1,0,0]=3 14124 B15R0.88 CC(=O)OCC(O)COCCCCCCCl 7a_100000766143_200000139349 [0,2,0,0,0,0|1,0,0]=3 14125 B15R0.88 CC(=O)OCC(O)COCCCCCCF 34a_100000732779_200000139349 [0,2,0,0,0,0|1,0,0]=3 14126 B15R0.88 CC(=O)OCC(O)COCCCCCCF 7a_100000732779_200000139349 [0,2,0,0,0,0|1,0,0]=3 14127 B15R0.88 CC(=O)OCC(O)COCCCCCCN 34a_100000686447_200000139349 [0,2,0,0,0,0|1,0,0]=3 14128 B15R0.88 CC(=O)OCC(O)CSCCCCCC#N 62a_100009813376_200000139349 [0,2,0,0,0,0|1,0,1]=4 14129 B15R0.88 CC(=O)OCC(O)CSCCCCCC#N 62a_200000139349_100009813376 [0,2,0,0,0,0|1,0,1]=4 14130 B15R0.88 CC(=O)OCC(O)CSCCCCCC=O 62a_100000139337_200000139349 [0,2,0,0,0,0|1,0,1]=4 14131 B15R0.88 CC(=O)OCC(O)CSCCCCCC=O 62a_200000139349_100000139337 [0,2,0,0,0,0|1,0,1]=4 14132 B15R0.88 CC(=O)OCC(O)CSCCCCCCF 62a_100015922095_200000139349 [0,2,0,0,0,0|1,0,0]=3 14133 B15R0.88 CC(=O)OCC(O)CSCCCCCCF 62a_200000139349_100015922095 [0,2,0,0,0,0|1,0,0]=3 14134 B15R0.88 CC(=O)OCC(O)CSCCCCCCO 62a_100000766143_200000139349 [0,2,0,0,0,0|1,0,0]=3 14135 B15R0.88 CC(=O)OCC(O)CSCCCCCCO 62a_200000139349_100000766143 [0,2,0,0,0,0|1,0,0]=3 14136 B15R0.88 CC(=O)SCC(=O)CCCCCCCCO 1458a_100000049016_100000033203 [0,2,0,0,0,0|0,1,1]=4 14137 B15R0.88 CC(=O)SCC(C)CNCCCCCCO 2230a_100000686447_200000116872 [0,2,0,0,0,0|1,1,0]=4 14138 B15R0.88 CC(=O)SCC(C)CNCCCCCCO 34a_100000686447_200000116872 [0,2,0,0,0,0|1,1,0]=4 14139 B15R0.88 CC(=O)SCC(C)COCCCCCCBr 34a_100011215345_200000116872 [0,2,0,0,0,0|1,1,0]=4 14140 B15R0.88 CC(=O)SCC(C)COCCCCCCBr 7a_100011215345_200000116872 [0,2,0,0,0,0|1,1,0]=4 14141 B15R0.88 CC(=O)SCC(C)COCCCCCCCl 34a_100000766143_200000116872 [0,2,0,0,0,0|1,1,0]=4 14142 B15R0.88 CC(=O)SCC(C)COCCCCCCCl 7a_100000766143_200000116872 [0,2,0,0,0,0|1,1,0]=4 14143 B15R0.88 CC(=O)SCC(C)COCCCCCCF 34a_100000732779_200000116872 [0,2,0,0,0,0|1,1,0]=4 14144 B15R0.88 CC(=O)SCC(C)COCCCCCCF 7a_100000732779_200000116872 [0,2,0,0,0,0|1,1,0]=4 14145 B15R0.88 CC(=O)SCC(C)COCCCCCCN 34a_100000686447_200000116872 [0,2,0,0,0,0|1,1,0]=4 14146 B15R0.88 CC(=O)SCC(C)CSCCCCCCF 62a_100015922095_200000116872 [0,2,0,0,0,0|1,1,0]=4 14147 B15R0.88 CC(=O)SCC(C)CSCCCCCCF 62a_200000116872_100015922095 [0,2,0,0,0,0|1,1,0]=4 14148 B15R0.88 CC(=O)SCC(C)CSCCCCCCO 62a_100000766143_200000116872 [0,2,0,0,0,0|1,1,0]=4 14149 B15R0.88 CC(=O)SCC(C)CSCCCCCCO 62a_200000116872_100000766143 [0,2,0,0,0,0|1,1,0]=4 14150 B15R0.88 CC/C=C/CCCOCC(O)COC(=O)C 34a_100016287902_200000139349 [0,2,0,0,0,0|0,0,2]=4 14151 B15R0.88 CC/C=C/CCCOCC(O)COC(=O)C 7a_100016287902_200000139349 [0,2,0,0,0,0|0,0,2]=4 14152 B15R0.88 CCCC#CCCOCC(O)COC(=O)C 34a_100000042726_200000139349 [0,2,0,0,0,0|0,0,2]=4 14153 B15R0.88 CCCC#CCCOCC(O)COC(=O)C 7a_100000042726_200000139349 [0,2,0,0,0,0|0,0,2]=4 14154 B15R0.88 CCCC/C=C/COCC(O)COC(=O)C 34a_200016272032_200000139349 [0,2,0,0,0,0|0,0,2]=4 14155 B15R0.88 CCCC/C=C/COCC(O)COC(=O)C 7a_200016272032_200000139349 [0,2,0,0,0,0|0,0,2]=4 14156 B15R0.88 CCCCC#CCCCC(=O)COC(=O)C 1458a_100000183556_200000047210 [0,2,0,0,0,0|0,0,2]=4 14157 B15R0.88 CCCCC#CCOCC(O)COC(=O)C 34a_200000034558_200000139349 [0,2,0,0,0,0|0,0,2]=4 14158 B15R0.88 CCCCC#CCOCC(O)COC(=O)C 7a_200000034558_200000139349 [0,2,0,0,0,0|0,0,2]=4 14159 B15R0.88 CCCCCCCCCC(=NNC(=O)C)C 4a_100000189765_100011215753 [0,2,0,0,0,0|1,0,1]=4 14160 B15R0.88 CCCCCCCCCC(=O)CC=C(C)C 1458a_100000210558_100000761012 [0,2,0,0,0,0|2,0,0]=4 14161 B15R0.88 CCCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210670 [0,2,0,0,0,0|2,0,0]=4 14162 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [0,2,0,0,0,0|2,0,0]=4 14163 B15R0.88 CCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210670 [0,2,0,0,0,0|1,0,0]=3 14164 B15R0.88 CCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210670 [0,2,0,0,0,0|2,0,0]=4 14165 B15R0.88 CCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210670 [0,2,0,0,0,0|0,0,0]=2 14166 B15R0.88 CCCCCCCCCC(=O)COC(C)C 1458a_100000745533_100000210670 [0,2,0,0,0,0|1,0,1]=4 14167 B15R0.88 CCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210670 [0,2,0,0,0,0|0,1,0]=3 14168 B15R0.88 CCCCCCCCCC(=O)NNC(=O)C 22a_100000189765_100000210558 [0,2,0,0,0,0|1,0,1]=4 14169 B15R0.88 CCCCCCCCCC(=O)NNC(=O)C 22a_100011221126_100000070787 [0,2,0,0,0,0|1,0,1]=4 14170 B15R0.88 CCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_200010990708 [0,2,0,0,0,0|0,0,1]=3 14171 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 34a_100011218016_100000187820 [0,2,0,0,0,0|1,0,0]=3 14172 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 7a_100011218016_100000187820 [0,2,0,0,0,0|1,0,0]=3 14173 B15R0.88 CCCCCCCCCC(C)OCC(=O)[O-] 34a_100011218016_100020667443 [0,2,0,0,0,0|1,0,0]=3 14174 B15R0.88 CCCCCCCCCC(C)OCC(C)C 34a_100011218016_100000210624 [0,2,0,0,0,0|1,0,1]=4 14175 B15R0.88 CCCCCCCCCC(C)OCC(C)C 7a_100011218016_100000210760 [0,2,0,0,0,0|1,0,1]=4 14176 B15R0.88 CCCCCCCCCC(C)OCC(C)O 34a_100011218016_100011218427 [0,2,0,0,0,0|0,0,2]=4 14177 B15R0.88 CCCCCCCCCC(C)OCC(C)O 7a_100011218016_100011218427 [0,2,0,0,0,0|0,0,2]=4 14178 B15R0.88 CCCCCCCCCC(C)OC[C@@H](C)O 34a_100011218016_100009817552 [0,2,0,0,0,0|0,0,2]=4 14179 B15R0.88 CCCCCCCCCC(C)OC[C@@H](C)O 7a_100011218016_100009817552 [0,2,0,0,0,0|0,0,2]=4 14180 B15R0.88 CCCCCCCCCC(C)OC[N+](=O)[O-] 34a_100011218016_100000761209 [0,2,0,0,0,0|2,0,0]=4 14181 B15R0.88 CCCCCCCCCN(C)CC=C(C)C 2230a_100000232482_100000761012 [0,2,0,0,0,0|2,0,0]=4 14182 B15R0.88 CCCCCCCCCN(C)CC=C(C)C 269982a_100000232482_100000761012 [0,2,0,0,0,0|2,0,0]=4 14183 B15R0.88 CCCCCCCCCN(C)CCC(=O)C 269982a_100000232482_100000053229 [0,2,0,0,0,0|1,0,0]=3 14184 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000232482_100000744528 [0,2,0,0,0,0|2,0,0]=4 14185 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011214924 [0,2,0,0,0,0|2,0,0]=4 14186 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 269982a_100000232482_100000744528 [0,2,0,0,0,0|2,0,0]=4 14187 B15R0.88 CCCCCCCCCN(C)COC(=O)C 269982a_100000232482_100000076356 [0,2,0,0,0,0|0,0,0]=2 14188 B15R0.88 CCCCCCCCCN(C)COC(C)C 2230a_100000232482_100000709892 [0,2,0,0,0,0|1,0,1]=4 14189 B15R0.88 CCCCCCCCCN(C)COC(C)C 269982a_100000232482_100000709892 [0,2,0,0,0,0|1,0,1]=4 14190 B15R0.88 CCCCCCCCNC(=O)CNC(=O)C 11a_100000229939_100000194580 [0,2,0,0,0,0|1,0,1]=4 14191 B15R0.88 CCCCCCCCNC(=O)CNC(=O)C 1626a_100000229939_100000194580 [0,2,0,0,0,0|1,0,1]=4 14192 B15R0.88 CCCCCCCCNC(=O)CNC(=O)C 240690a_100000229939_100000194580 [0,2,0,0,0,0|1,0,1]=4 14193 B15R0.88 CCCCCCCCNC(=O)CNC(=O)C 527a_100000229939_100000194580 [0,2,0,0,0,0|1,0,1]=4 14194 B15R0.88 CCCCCCCCNC(=O)COC(=O)C 1626a_100000229939_100000183556 [0,2,0,0,0,0|0,0,1]=3 14195 B15R0.88 CCCCCCCCNC(=O)COC(=O)C 240690a_100000229939_100000183556 [0,2,0,0,0,0|0,0,1]=3 14196 B15R0.88 CCCCCCCCNC(=O)COC(=O)C 527a_100000229939_100000183556 [0,2,0,0,0,0|0,0,1]=3 14197 B15R0.88 CCCCCCCCNC(=O)CSC(=O)C 11a_100000229939_100000049016 [0,2,0,0,0,0|0,1,1]=4 14198 B15R0.88 CCCCCCCCNC(=O)CSC(=O)C 1626a_100000229939_100000049016 [0,2,0,0,0,0|0,1,1]=4 14199 B15R0.88 CCCCCCCCNC(=O)CSC(=O)C 240690a_100000229939_100000049016 [0,2,0,0,0,0|0,1,1]=4 14200 B15R0.88 CCCCCCCCNC(C)COC(=O)C 270004a_100000229939_100000000629 [0,2,0,0,0,0|0,0,0]=2 14201 B15R0.88 CCCCCCCNCC(C)CSC(=O)C 2230a_100000229938_200000116872 [0,2,0,0,0,0|0,1,0]=3 14202 B15R0.88 CCCCCCCOCC(=O)COC(=O)C 34a_100000210272_100000036994 [0,2,0,0,0,0|0,0,1]=3 14203 B15R0.88 CCCCCCCOCC(C)CSC(=O)C 34a_100000210272_200000116872 [0,2,0,0,0,0|0,1,0]=3 14204 B15R0.88 CCCCCCCOCC(C)CSC(=O)C 7a_100000210272_200000116872 [0,2,0,0,0,0|0,1,0]=3 14205 B15R0.88 CCCCCCCOCC(O)COC(=O)C 34a_100000210272_200000139349 [0,2,0,0,0,0|0,0,0]=2 14206 B15R0.88 CCCCCCCOCC(O)COC(=O)C 7a_100000210272_200000139349 [0,2,0,0,0,0|0,0,0]=2 14207 B15R0.88 CCCCCCCSCC(=O)COC(=O)C 62a_100000036994_100000210316 [0,2,0,0,0,0|0,0,1]=3 14208 B15R0.88 CCCCCCCSCC(=O)COC(=O)C 62a_100000210614_100000036994 [0,2,0,0,0,0|0,0,1]=3 14209 B15R0.88 CCCCCCCSCC(C)CSC(=O)C 62a_100000210614_200000116872 [0,2,0,0,0,0|0,1,0]=3 14210 B15R0.88 CCCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210316 [0,2,0,0,0,0|0,1,0]=3 14211 B15R0.88 CCCCCCCSCC(O)COC(=O)C 62a_100000210614_200000139349 [0,2,0,0,0,0|0,0,0]=2 14212 B15R0.88 CCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210316 [0,2,0,0,0,0|0,0,0]=2 14213 B15R0.88 CCCCOCCCNC(=O)COC(=O)C 1626a_200000211371_100000183556 [0,2,0,0,0,0|1,0,1]=4 14214 B15R0.88 CCCCOCCCNC(=O)COC(=O)C 240690a_200000211371_100000183556 [0,2,0,0,0,0|1,0,1]=4 14215 B15R0.88 CCCCOCCCNC(=O)COC(=O)C 527a_200000211371_100000183556 [0,2,0,0,0,0|1,0,1]=4 14216 B15R0.88 CCCCOCCCNC(C)COC(=O)C 270004a_200000211371_100000000629 [0,2,0,0,0,0|1,0,0]=3 14217 B15R0.88 CCCCOCCOCC(=O)COC(=O)C 34a_100000210238_100000036994 [0,2,0,0,0,0|1,0,1]=4 14218 B15R0.88 CCCCOCCOCC(C)CSC(=O)C 34a_100000210238_200000116872 [0,2,0,0,0,0|1,1,0]=4 14219 B15R0.88 CCCCOCCOCC(C)CSC(=O)C 7a_100000210238_200000116872 [0,2,0,0,0,0|1,1,0]=4 14220 B15R0.88 CCCCOCCOCC(O)COC(=O)C 34a_100000210238_200000139349 [0,2,0,0,0,0|1,0,0]=3 14221 B15R0.88 CCCCOCCOCC(O)COC(=O)C 7a_100000210238_200000139349 [0,2,0,0,0,0|1,0,0]=3 14222 B15R0.88 CCCCOCCSCC(=O)COC(=O)C 62a_100000036994_100000743108 [0,2,0,0,0,0|1,0,1]=4 14223 B15R0.88 CCCCOCCSCC(=O)COC(=O)C 62a_100000743108_100000036994 [0,2,0,0,0,0|1,0,1]=4 14224 B15R0.88 CCCCOCCSCC(C)CSC(=O)C 62a_100000743108_200000116872 [0,2,0,0,0,0|1,1,0]=4 14225 B15R0.88 CCCCOCCSCC(C)CSC(=O)C 62a_200000116872_100000743108 [0,2,0,0,0,0|1,1,0]=4 14226 B15R0.88 CCCCOCCSCC(O)COC(=O)C 62a_100000743108_200000139349 [0,2,0,0,0,0|1,0,0]=3 14227 B15R0.88 CCCCOCCSCC(O)COC(=O)C 62a_200000139349_100000743108 [0,2,0,0,0,0|1,0,0]=3 14228 B15R0.88 CCCCSCCNCC(C)CSC(=O)C 2230a_100025743550_200000116872 [0,2,0,0,0,0|1,1,0]=4 14229 B15R0.88 CCCCSCCOCC(=O)COC(=O)C 34a_200000230436_100000036994 [0,2,0,0,0,0|1,0,1]=4 14230 B15R0.88 CCCCSCCOCC(C)CSC(=O)C 34a_200000230436_200000116872 [0,2,0,0,0,0|1,1,0]=4 14231 B15R0.88 CCCCSCCOCC(C)CSC(=O)C 7a_200000230436_200000116872 [0,2,0,0,0,0|1,1,0]=4 14232 B15R0.88 CCCCSCCOCC(O)COC(=O)C 34a_200000230436_200000139349 [0,2,0,0,0,0|1,0,0]=3 14233 B15R0.88 CCCCSCCOCC(O)COC(=O)C 7a_200000230436_200000139349 [0,2,0,0,0,0|1,0,0]=3 14234 B15R0.88 CCCOCCCNCC(=O)COC(=O)C 34a_100011217757_100000036994 [0,2,0,0,0,0|1,0,1]=4 14235 B15R0.88 CCCOCCCNCC(C)CSC(=O)C 2230a_100011217757_200000116872 [0,2,0,0,0,0|1,1,0]=4 14236 B15R0.88 CCCOCCCNCC(C)CSC(=O)C 34a_100011217757_200000116872 [0,2,0,0,0,0|1,1,0]=4 14237 B15R0.88 CCCOCCCNCC(O)COC(=O)C 34a_100011217757_200000139349 [0,2,0,0,0,0|1,0,0]=3 14238 B15R0.88 CCOCCOCCNC(C)COC(=O)C 270004a_100102712874_100000000629 [0,2,0,0,0,0|2,0,0]=4 14239 B15R0.88 CNCCCCCOCC(=O)COC(=O)C 34a_100000722520_100000036994 [0,2,0,0,0,0|1,0,1]=4 14240 B15R0.88 CNCCCCCOCC(C)CSC(=O)C 34a_100000722520_200000116872 [0,2,0,0,0,0|1,1,0]=4 14241 B15R0.88 CNCCCCCOCC(O)COC(=O)C 34a_100000722520_200000139349 [0,2,0,0,0,0|1,0,0]=3 14242 B15R0.88 CNCCOCCOCC(O)COC(=O)C 34a_100000228057_200000139349 [0,2,0,0,0,0|2,0,0]=4 14243 B15R0.88 COCCCCCNCC(=O)COC(=O)C 34a_100000747528_100000036994 [0,2,0,0,0,0|1,0,1]=4 14244 B15R0.88 COCCCCCNCC(C)CSC(=O)C 2230a_100000747528_200000116872 [0,2,0,0,0,0|1,1,0]=4 14245 B15R0.88 COCCCCCNCC(C)CSC(=O)C 34a_100000747528_200000116872 [0,2,0,0,0,0|1,1,0]=4 14246 B15R0.88 COCCCCCNCC(O)COC(=O)C 34a_100000747528_200000139349 [0,2,0,0,0,0|1,0,0]=3 14247 B15R0.88 COCCOCCCNC(C)COC(=O)C 270004a_100000206027_100000000629 [0,2,0,0,0,0|2,0,0]=4 14248 B15R0.88 COCCOCCNCC(O)COC(=O)C 34a_100000745349_200000139349 [0,2,0,0,0,0|2,0,0]=4 14249 B15R0.88 COCCOCCOCC(O)COC(=O)C 34a_100011215163_200000139349 [0,2,0,0,0,0|2,0,0]=4 14250 B15R0.88 COCCOCCOCC(O)COC(=O)C 7a_100011215163_200000139349 [0,2,0,0,0,0|2,0,0]=4 14251 B15R0.88 COCCOCCSCC(O)COC(=O)C 62a_100000695917_200000139349 [0,2,0,0,0,0|2,0,0]=4 14252 B15R0.88 COCCOCCSCC(O)COC(=O)C 62a_200000139349_100000695917 [0,2,0,0,0,0|2,0,0]=4 14253 B15R0.390 CCCC(C)CCOCC(=O)COC(=O)C 34a_100011217855_100000036994 [0,2,0,0,0,0|1,0,1]=4 14254 B15R0.390 CCCC(C)CCOCC(C)CSC(=O)C 34a_100011217855_200000116872 [0,2,0,0,0,0|1,1,0]=4 14255 B15R0.390 CCCC(C)CCOCC(C)CSC(=O)C 7a_100011217855_200000116872 [0,2,0,0,0,0|1,1,0]=4 14256 B15R0.390 CCCC(C)CCOCC(O)COC(=O)C 34a_100011217855_200000139349 [0,2,0,0,0,0|1,0,0]=3 14257 B15R0.390 CCCC(C)CCOCC(O)COC(=O)C 7a_100011217855_200000139349 [0,2,0,0,0,0|1,0,0]=3 14258 B15R0.390 CCC[C@H](N)CCOCC(=O)COC(=O)C 34a_100015193777_100000036994 [0,2,0,0,0,0|1,0,1]=4 14259 B15R0.390 CCC[C@H](N)CCOCC(C)CSC(=O)C 34a_100015193777_200000116872 [0,2,0,0,0,0|1,1,0]=4 14260 B15R0.390 CCC[C@H](N)CCOCC(O)COC(=O)C 34a_100015193777_200000139349 [0,2,0,0,0,0|1,0,0]=3 14261 B15R0.1927 CC(=O)OCC(O)CN(C)CCCCCO 269982a_100000722520_200000139349 [0,2,0,0,0,0|2,0,0]=4 14262 B15R0.1927 CCCCCCC(=O)CC(C)CSC(=O)C 1458a_100102632555_200000116872 [0,2,0,0,0,0|0,1,1]=4 14263 B15R0.1927 CCCCCCC(C)NC(=O)COC(=O)C 1626a_100000210919_100000183556 [0,2,0,0,0,0|1,0,1]=4 14264 B15R0.1927 CCCCCCC(C)NC(=O)COC(=O)C 240690a_100000210919_100000183556 [0,2,0,0,0,0|1,0,1]=4 14265 B15R0.1927 CCCCCCC(C)NC(=O)COC(=O)C 527a_100000210919_100000183556 [0,2,0,0,0,0|1,0,1]=4 14266 B15R0.1927 CCCCCCC(C)NC(C)COC(=O)C 270004a_100000210919_100000000629 [0,2,0,0,0,0|1,0,0]=3 14267 B15R0.1927 CCCCCCN(C)CC(=O)COC(=O)C 269982a_106256046315_100000036994 [0,2,0,0,0,0|1,0,1]=4 14268 B15R0.1927 CCCCCCN(C)CC(C)CSC(=O)C 2230a_106256046315_200000116872 [0,2,0,0,0,0|1,1,0]=4 14269 B15R0.1927 CCCCCCN(C)CC(C)CSC(=O)C 269982a_106256046315_200000116872 [0,2,0,0,0,0|1,1,0]=4 14270 B15R0.1927 CCCCCCN(C)CC(O)COC(=O)C 269982a_106256046315_200000139349 [0,2,0,0,0,0|1,0,0]=3 14271 B15R0.3231 CC(=O)OCC(CCl)OCCCCCCF 7a_200000139349_100015922095 [0,2,0,0,0,0|2,0,0]=4 14272 B15R0.3231 CC(=O)OCC(CCl)OCCCCCCO 7a_200000139349_100000766143 [0,2,0,0,0,0|2,0,0]=4 14273 B15R0.3231 CCCCCCCOC(CCl)COC(=O)C 7a_200000139349_100000210614 [0,2,0,0,0,0|1,0,0]=3 14274 B15R0.3231 CCCCOCCOC(CCl)COC(=O)C 7a_200000139349_100000743108 [0,2,0,0,0,0|2,0,0]=4 14275 B15R0.3245 CC(=O)OC(C)C(=O)CCCCCCCO 1458a_100011219782_100009818208 [0,2,0,0,0,0|1,0,1]=4 14276 B15R0.3245 CC(=O)O[C@@H](C)C(=O)CCCCCCCO 1458a_100009816467_100000760002 [0,2,0,0,0,0|1,0,1]=4 14277 B15R0.3245 CCCCCCCCC(=O)C(C)OC(=O)C 1458a_100000210188_100009818208 [0,2,0,0,0,0|0,0,1]=3 14278 B15R0.3245 CCCCCCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210759 [0,2,0,0,0,0|1,0,1]=4 14279 B15R0.3245 CCCCCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210759 [0,2,0,0,0,0|0,0,1]=3 14280 B15R0.3245 CCCCCCCCN(C)C(C)OC(=O)C 269982a_100000207567_100009818208 [0,2,0,0,0,0|1,0,0]=3 14281 B15R0.3245 CCCCCCCNC(=O)[C@H](C)OC(=O)C 11a_100000229938_100009816467 [0,2,0,0,0,0|1,0,1]=4 14282 B15R0.3245 CCCCCCCNC(=O)[C@H](C)OC(=O)C 1626a_100000229938_100009816467 [0,2,0,0,0,0|1,0,1]=4 14283 B15R0.3245 CCCCCCCNC(=O)[C@H](C)OC(=O)C 240690a_100000229938_100009816467 [0,2,0,0,0,0|1,0,1]=4 14284 B15R0.3245 CCCCCCCNC(=O)[C@H](C)OC(=O)C 527a_100000229938_100009816467 [0,2,0,0,0,0|1,0,1]=4 14285 B15R0.3245 COCCCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100011998445 [0,2,0,0,0,0|1,0,1]=4 14286 B15R0.69 C#CCCCCCCCSC(C)OC(=O)C 62a_100009818208_100153394163 [0,2,0,0,0,0|0,0,2]=4 14287 B15R0.69 C#CCCCCCCCSC(C)OC(=O)C 62a_100153394163_100009818208 [0,2,0,0,0,0|0,0,2]=4 14288 B15R0.69 C=C(C)CC(=O)CCCCCCCCCC 1458a_100000210375_100000748629 [0,2,0,0,0,0|2,0,0]=4 14289 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 2230a_100000207566_100000748629 [0,2,0,0,0,0|2,0,0]=4 14290 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 2230a_100000225649_100000210320 [0,2,0,0,0,0|2,0,0]=4 14291 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 269982a_100000207566_100000748629 [0,2,0,0,0,0|2,0,0]=4 14292 B15R0.69 C=C(C)CN(C)CCCCCCCCCC 269982a_100000225649_100000210320 [0,2,0,0,0,0|2,0,0]=4 14293 B15R0.69 C=CCCCCCCCSC(C)OC(=O)C 62a_100009818208_100012355270 [0,2,0,0,0,0|0,0,2]=4 14294 B15R0.69 C=CCCCCCCCSC(C)OC(=O)C 62a_100012355270_100009818208 [0,2,0,0,0,0|0,0,2]=4 14295 B15R0.69 CC(=O)OC(C)SCCCCCCCCO 62a_100000033203_100009818208 [0,2,0,0,0,0|1,0,0]=3 14296 B15R0.69 CC(=O)OC(C)SCCCCCCCCO 62a_100009818208_100000033203 [0,2,0,0,0,0|1,0,0]=3 14297 B15R0.69 CCCCC#CCCCSC(C)OC(=O)C 62a_100009818208_200000047210 [0,2,0,0,0,0|0,0,2]=4 14298 B15R0.69 CCCCC#CCCCSC(C)OC(=O)C 62a_200000047210_100009818208 [0,2,0,0,0,0|0,0,2]=4 14299 B15R0.69 CCCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210319 [0,2,0,0,0,0|2,0,0]=4 14300 B15R0.69 CCCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210319 [0,2,0,0,0,0|2,0,0]=4 14301 B15R0.69 CCCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210319 [0,2,0,0,0,0|2,0,0]=4 14302 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100000210375_100000187820 [0,2,0,0,0,0|2,0,0]=4 14303 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210319 [0,2,0,0,0,0|2,0,0]=4 14304 B15R0.69 CCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210375_100020667443 [0,2,0,0,0,0|2,0,0]=4 14305 B15R0.69 CCCCCCCCCCC(C)OC(C)C 34a_100011215000_100000210206 [0,2,0,0,0,0|1,0,1]=4 14306 B15R0.69 CCCCCCCCCCC(C)OC(C)C 7a_100011215000_100000210206 [0,2,0,0,0,0|1,0,1]=4 14307 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000207566_100000747473 [0,2,0,0,0,0|2,0,0]=4 14308 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210320 [0,2,0,0,0,0|2,0,0]=4 14309 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 269982a_100000207566_100000187820 [0,2,0,0,0,0|2,0,0]=4 14310 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [0,2,0,0,0,0|2,0,0]=4 14311 B15R0.69 CCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000207566_100020667443 [0,2,0,0,0,0|2,0,0]=4 14312 B15R0.69 CCCCCCCCCOC(C)C=C(C)C 34a_100000717055_100011214924 [0,2,0,0,0,0|2,0,0]=4 14313 B15R0.69 CCCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210670 [0,2,0,0,0,0|0,0,0]=2 14314 B15R0.69 CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210759 [0,2,0,0,0,0|2,0,0]=4 14315 B15R0.69 CCCCCCCCOCC(=O)NC(=O)C 7a_100000210232_100000183797 [0,2,0,0,0,0|1,0,1]=4 14316 B15R0.69 CCCCCCCCSCC(=O)NC(=O)C 62a_100000210759_100000183797 [0,2,0,0,0,0|1,0,1]=4 14317 B15R0.5055 CCCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210759 [0,2,0,0,0,0|2,0,0]=4 14318 B15R0.129 C#CCCCCCC(=O)CCCOC(=O)C 1458a_100000694772_100000042594 [0,2,0,0,0,0|0,0,2]=4 14319 B15R0.129 C=CCCCCCC(=O)CCCOC(=O)C 1458a_100011934241_100000042594 [0,2,0,0,0,0|0,0,2]=4 14320 B15R0.129 CC(=O)CCCCC(=O)CCCCCCO 1458a_100011996774_100000735457 [0,2,0,0,0,0|1,0,1]=4 14321 B15R0.129 CC(=O)NCCCC(=O)CCCCCCF 1458a_100000194741_100015922095 [0,2,0,0,0,0|1,0,1]=4 14322 B15R0.129 CC(=O)NCCCC(=O)CCCCCCO 1458a_100000194741_100000766143 [0,2,0,0,0,0|1,0,1]=4 14323 B15R0.129 CC(=O)OCCCC(=O)CCCCCCO 1458a_100011996774_100000042594 [0,2,0,0,0,0|0,0,1]=3 14324 B15R0.129 CC(=O)OCCNC(=O)CCCCCCO 240690a_100000724843_100011996774 [0,2,0,0,0,0|1,0,1]=4 14325 B15R0.129 CC(=O)SCCCC(=O)CCCCCCO 1458a_100011996774_100000038929 [0,2,0,0,0,0|0,1,1]=4 14326 B15R0.129 CC(=S)OCCCC(=O)CCCCCCO 1458a_100011996774_200135323944 [0,2,0,0,0,0|0,1,1]=4 14327 B15R0.129 CCCC/C=C/CC(=O)CCCOC(=O)C 1458a_200016282684_100000042594 [0,2,0,0,0,0|0,0,2]=4 14328 B15R0.129 CCCCCC#CC(=O)CCCOC(=O)C 1458a_100011215388_100000042594 [0,2,0,0,0,0|0,0,2]=4 14329 B15R0.129 CCCCCC=CC(=O)CCCOC(=O)C 1458a_100016263427_100000042594 [0,2,0,0,0,0|0,0,2]=4 14330 B15R0.129 CCCCCCCC(=O)CCCCC(=O)C 1458a_100000211969_100000735457 [0,2,0,0,0,0|1,0,0]=3 14331 B15R0.129 CCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210614 [0,2,0,0,0,0|1,0,0]=3 14332 B15R0.129 CCCCCCCC(=O)CCCOC(=O)C 1458a_100000211969_100000042594 [0,2,0,0,0,0|0,0,0]=2 14333 B15R0.129 CCCCCCCC(=O)CCCOC(=S)C 1458a_100000211969_200135323944 [0,2,0,0,0,0|0,1,0]=3 14334 B15R0.129 CCCCCCCC(=O)CCCSC(=O)C 1458a_100000211969_100000038929 [0,2,0,0,0,0|0,1,0]=3 14335 B15R0.129 CCCCCCCC(=O)CCOCC(=O)N 1458a_100000211969_100000076697 [0,2,0,0,0,0|1,0,1]=4 14336 B15R0.129 CCCCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211969 [0,2,0,0,0,0|1,0,1]=4 14337 B15R0.129 CCCCCCCC(=O)NCCNC(=O)C 527a_100000209853_100000211969 [0,2,0,0,0,0|1,0,1]=4 14338 B15R0.129 CCCCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000211969 [0,2,0,0,0,0|0,0,1]=3 14339 B15R0.129 CCCCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211969 [0,2,0,0,0,0|0,0,1]=3 14340 B15R0.129 CCCCCCCC(=O)NCCOC(=O)C 527a_100000724843_100000211969 [0,2,0,0,0,0|0,0,1]=3 14341 B15R0.129 CCCCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000211969 [0,2,0,0,0,0|0,1,1]=4 14342 B15R0.129 CCCCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000211969 [0,2,0,0,0,0|0,1,1]=4 14343 B15R0.129 CCCCCCCC(=O)NCCSC(=O)C 527a_100020647217_100000211969 [0,2,0,0,0,0|0,1,1]=4 14344 B15R0.129 CCCCCCCC(=O)OCOCC(=O)C 34a_100000211253_100009852258 [0,2,0,0,0,0|1,0,1]=4 14345 B15R0.129 CCCCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218727 [0,2,0,0,0,0|2,0,0]=4 14346 B15R0.129 CCCCCCCC(C)NCCCS(=O)C 2230a_200000753449_200011218727 [0,2,0,0,0,0|2,0,0]=4 14347 B15R0.129 CCCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210596 [0,2,0,0,0,0|2,0,0]=4 14348 B15R0.129 CCCCCCCC(C)NCCNC(=O)C 2230a_100000209853_200011218727 [0,2,0,0,0,0|1,0,0]=3 14349 B15R0.129 CCCCCCCC(C)NCCNC(=O)N 34a_100020590234_200011218727 [0,2,0,0,0,0|2,0,0]=4 14350 B15R0.129 CCCCCCCC(C)NCCOC(C)C 2230a_100000701111_200011218727 [0,2,0,0,0,0|1,0,1]=4 14351 B15R0.129 CCCCCCCC(C)NCCOC(C)C 270004a_100000701111_100000210596 [0,2,0,0,0,0|1,0,1]=4 14352 B15R0.129 CCCCCCCC(C)NCCOC(C)C 34a_100000701111_200011218727 [0,2,0,0,0,0|1,0,1]=4 14353 B15R0.129 CCCCCCCC(C)OCCC=C(C)C 34a_200011215852_100011217483 [0,2,0,0,0,0|2,0,0]=4 14354 B15R0.129 CCCCCCCC(C)OCCC=C(C)C 7a_200011215852_100011217483 [0,2,0,0,0,0|2,0,0]=4 14355 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218727 [0,2,0,0,0,0|1,0,0]=3 14356 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_200011215852_100000685027 [0,2,0,0,0,0|1,0,0]=3 14357 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218727 [0,2,0,0,0,0|1,0,0]=3 14358 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_200011215852_100011215641 [0,2,0,0,0,0|1,0,0]=3 14359 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 34a_200011215852_100102525003 [0,2,0,0,0,0|2,0,0]=4 14360 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 7a_200011215852_100102525003 [0,2,0,0,0,0|2,0,0]=4 14361 B15R0.129 CCCCCCCC(C)OCCNC(=O)C 34a_100000158858_200011218727 [0,2,0,0,0,0|1,0,0]=3 14362 B15R0.129 CCCCCCCC(C)OCCNC(=O)C 7a_200011215852_100000189650 [0,2,0,0,0,0|1,0,0]=3 14363 B15R0.129 CCCCCCCC(C)OCCNC(=O)N 34a_100000181757_200011218727 [0,2,0,0,0,0|2,0,0]=4 14364 B15R0.129 CCCCCCCC(C)OCCNC(=O)N 7a_200011215852_200000034859 [0,2,0,0,0,0|2,0,0]=4 14365 B15R0.129 CCCCCCCC(C)OCCOC(=O)C 34a_200011215852_100009814007 [0,2,0,0,0,0|0,0,0]=2 14366 B15R0.129 CCCCCCCC(C)OCCOC(=O)C 7a_200011215852_100009814007 [0,2,0,0,0,0|0,0,0]=2 14367 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 34a_200011215852_200011214921 [0,2,0,0,0,0|1,0,0]=3 14368 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 7a_100000766696_200011218727 [0,2,0,0,0,0|1,0,0]=3 14369 B15R0.129 CCCCCCCC(C)OCCOC(=O)N 7a_200011215852_200011214921 [0,2,0,0,0,0|1,0,0]=3 14370 B15R0.129 CCCCCCCC(C)OCCOC(C)C 34a_100000211219_200011218727 [0,2,0,0,0,0|1,0,1]=4 14371 B15R0.129 CCCCCCCC(C)OCCOC(C)C 34a_200011215852_100000211751 [0,2,0,0,0,0|1,0,1]=4 14372 B15R0.129 CCCCCCCC(C)OCCOC(C)C 7a_100000211219_200011218727 [0,2,0,0,0,0|1,0,1]=4 14373 B15R0.129 CCCCCCCC(C)OCCOC(C)C 7a_200011215852_100000211751 [0,2,0,0,0,0|1,0,1]=4 14374 B15R0.129 CCCCCCCC(C)SCCC=C(C)C 62a_100011217483_200011218727 [0,2,0,0,0,0|2,0,0]=4 14375 B15R0.129 CCCCCCCC(C)SCCC=C(C)C 62a_200011218727_100011217483 [0,2,0,0,0,0|2,0,0]=4 14376 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218727 [0,2,0,0,0,0|1,0,0]=3 14377 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_200011218727_100011215641 [0,2,0,0,0,0|1,0,0]=3 14378 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218727 [0,2,0,0,0,0|2,0,0]=4 14379 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_200011218727_100102525003 [0,2,0,0,0,0|2,0,0]=4 14380 B15R0.129 CCCCCCCC(C)SCCNC(=O)C 62a_100000189650_200011218727 [0,2,0,0,0,0|1,0,0]=3 14381 B15R0.129 CCCCCCCC(C)SCCNC(=O)C 62a_200011218727_100000189650 [0,2,0,0,0,0|1,0,0]=3 14382 B15R0.129 CCCCCCCC(C)SCCNC(=O)N 62a_200000034859_200011218727 [0,2,0,0,0,0|2,0,0]=4 14383 B15R0.129 CCCCCCCC(C)SCCNC(=O)N 62a_200011218727_200000034859 [0,2,0,0,0,0|2,0,0]=4 14384 B15R0.129 CCCCCCCC(C)SCCOC(=O)C 62a_100009814007_200011218727 [0,2,0,0,0,0|0,0,0]=2 14385 B15R0.129 CCCCCCCC(C)SCCOC(=O)C 62a_200011218727_100009814007 [0,2,0,0,0,0|0,0,0]=2 14386 B15R0.129 CCCCCCCC(C)SCCOC(=O)N 62a_200011214921_200011218727 [0,2,0,0,0,0|1,0,0]=3 14387 B15R0.129 CCCCCCCC(C)SCCOC(=O)N 62a_200011218727_200011214921 [0,2,0,0,0,0|1,0,0]=3 14388 B15R0.129 CCCCCCCC(C)SCCOC(C)C 62a_100000211751_200011218727 [0,2,0,0,0,0|1,0,1]=4 14389 B15R0.129 CCCCCCCC(C)SCCOC(C)C 62a_200011218727_100000211751 [0,2,0,0,0,0|1,0,1]=4 14390 B15R0.129 CCCCCCCN(C)CCCCC(=O)C 269982a_100000228206_100000735457 [0,2,0,0,0,0|1,0,0]=3 14391 B15R0.129 CCCCCCCN(C)CCCOC(=O)C 269982a_100000228206_100000042594 [0,2,0,0,0,0|0,0,0]=2 14392 B15R0.129 CCCCCCCN(C)CCCOC(=S)C 2230a_100000228206_200135323944 [0,2,0,0,0,0|0,1,0]=3 14393 B15R0.129 CCCCCCCN(C)CCCOC(=S)C 269982a_100000228206_200135323944 [0,2,0,0,0,0|0,1,0]=3 14394 B15R0.129 CCCCCCCN(C)CCCSC(=O)C 2230a_100000228206_100000038929 [0,2,0,0,0,0|0,1,0]=3 14395 B15R0.129 CCCCCCCN(C)CCCSC(=O)C 269982a_100000228206_100000038929 [0,2,0,0,0,0|0,1,0]=3 14396 B15R0.129 CCCCCCCN(C)CCOCC(=O)N 2230a_100000228206_100000076697 [0,2,0,0,0,0|2,0,0]=4 14397 B15R0.129 CCCCCCCN(C)CCOCC(=O)N 269982a_100000228206_100000076697 [0,2,0,0,0,0|2,0,0]=4 14398 B15R0.129 CCCCCCNC(=O)CCCNC(=O)C 11a_100000210581_100000194741 [0,2,0,0,0,0|1,0,1]=4 14399 B15R0.129 CCCCCCNC(=O)CCCNC(=O)C 1626a_100000210581_100000194741 [0,2,0,0,0,0|1,0,1]=4 14400 B15R0.129 CCCCCCNC(=O)CCCNC(=O)C 240690a_100000210581_100000194741 [0,2,0,0,0,0|1,0,1]=4 14401 B15R0.129 CCCCCCNC(=O)CCCNC(=O)C 527a_100000210581_100000194741 [0,2,0,0,0,0|1,0,1]=4 14402 B15R0.129 CCCCCCNC(=O)CSCOC(=O)C 62a_100000230325_100000076356 [0,2,0,0,0,0|1,0,1]=4 14403 B15R0.129 CCCCCCNC(=O)NCCOC(=O)C 2708a_100000210581_100000724843 [0,2,0,0,0,0|1,0,1]=4 14404 B15R0.129 CCCCCCNC(=O)NCCOC(=O)C 273464a_100000210581_100000724843 [0,2,0,0,0,0|1,0,1]=4 14405 B15R0.129 CCCCCCNC(=O)NCCOC(=O)C 273464a_100000724843_100000210581 [0,2,0,0,0,0|1,0,1]=4 14406 B15R0.129 CCCCCCNC(=O)NCCOC(=O)C 512a_100000210581_100000724843 [0,2,0,0,0,0|1,0,1]=4 14407 B15R0.129 CCCCCCNC(=O)NCCOC(=O)C 512a_100000724843_100000210581 [0,2,0,0,0,0|1,0,1]=4 14408 B15R0.129 CCCCCNN=C(C)CCCOC(=O)C 4a_100000694160_100000031019 [0,2,0,0,0,0|1,0,1]=4 14409 B15R0.129 CCCCOCCC(=O)CCCNC(=O)C 1458a_100000194741_100000743108 [0,2,0,0,0,0|1,0,1]=4 14410 B15R0.129 COCCCCCC(=O)CCCCC(=O)C 1458a_100011935119_100000735457 [0,2,0,0,0,0|1,0,1]=4 14411 B15R0.129 COCCCCCC(=O)CCCOC(=O)C 1458a_100011935119_100000042594 [0,2,0,0,0,0|0,0,1]=3 14412 B15R0.129 COCCCCCC(=O)CCCOC(=S)C 1458a_100011935119_200135323944 [0,2,0,0,0,0|0,1,1]=4 14413 B15R0.129 COCCCCCC(=O)CCCSC(=O)C 1458a_100011935119_100000038929 [0,2,0,0,0,0|0,1,1]=4 14414 B15R0.129 COCCCCCC(=O)NCCOC(=O)C 11a_100000724843_100011935119 [0,2,0,0,0,0|1,0,1]=4 14415 B15R0.129 COCCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100011935119 [0,2,0,0,0,0|1,0,1]=4 14416 B15R0.129 COCCCCCC(=O)NCCOC(=O)C 527a_100000724843_100011935119 [0,2,0,0,0,0|1,0,1]=4 14417 B15R0.129 COCCOCCC(=O)CCCOC(=O)C 1458a_100000745395_100000042594 [0,2,0,0,0,0|1,0,1]=4 14418 B15R0.164 C#CCCCCCCCCCCOC(C)C 34a_100000054667_100000210206 [0,2,0,0,0,0|1,0,1]=4 14419 B15R0.164 C#CCCCCCCCCCCOC(C)C 7a_100000054667_100000210206 [0,2,0,0,0,0|1,0,1]=4 14420 B15R0.164 C#CCCCCCCCCCOCC(=C)C 34a_100000034437_100000748629 [0,2,0,0,0,0|1,0,1]=4 14421 B15R0.164 C#CCCCCCCCCCOCC(=C)C 7a_100000034437_100000748629 [0,2,0,0,0,0|1,0,1]=4 14422 B15R0.164 C#CCCCCCCCCCOCC(=O)N 34a_100000034437_100000187820 [0,2,0,0,0,0|1,0,1]=4 14423 B15R0.164 C#CCCCCCCCCCOCC(=O)N 7a_100000034437_100000187820 [0,2,0,0,0,0|1,0,1]=4 14424 B15R0.164 C#CCCCCCCCCCOCC(=O)[O-] 34a_100000034437_100020667443 [0,2,0,0,0,0|1,0,1]=4 14425 B15R0.164 C#CCCCCCCCCOCCC(=O)C 7a_100000065265_100000053229 [0,2,0,0,0,0|0,0,2]=4 14426 B15R0.164 C#CCCCCCCCCOCOC(=O)C 34a_100000065265_100009813279 [0,2,0,0,0,0|0,0,1]=3 14427 B15R0.164 C#CCCCCCCCNCCNC(=O)C 2230a_100000209853_100153394163 [0,2,0,0,0,0|1,0,1]=4 14428 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000054614_100000685027 [0,2,0,0,0,0|1,0,1]=4 14429 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000759063_100153394163 [0,2,0,0,0,0|1,0,1]=4 14430 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000054614_100011215641 [0,2,0,0,0,0|1,0,1]=4 14431 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000759063_100153394163 [0,2,0,0,0,0|1,0,1]=4 14432 B15R0.164 C#CCCCCCCCOCCNC(=O)C 34a_100000158858_100153394163 [0,2,0,0,0,0|1,0,1]=4 14433 B15R0.164 C#CCCCCCCCOCCNC(=O)C 7a_100000054614_100000189650 [0,2,0,0,0,0|1,0,1]=4 14434 B15R0.164 C#CCCCCCCCOCCOC(=O)C 34a_100000054614_100009814007 [0,2,0,0,0,0|0,0,1]=3 14435 B15R0.164 C#CCCCCCCCOCCOC(=O)C 7a_100000054614_100009814007 [0,2,0,0,0,0|0,0,1]=3 14436 B15R0.164 C#CCCCCCCCOCCOC(=O)N 34a_100000054614_200011214921 [0,2,0,0,0,0|1,0,1]=4 14437 B15R0.164 C#CCCCCCCCOCCOC(=O)N 7a_100000054614_200011214921 [0,2,0,0,0,0|1,0,1]=4 14438 B15R0.164 C#CCCCCCCCOCCOC(=O)N 7a_100000766696_100153394163 [0,2,0,0,0,0|1,0,1]=4 14439 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100011215641_100153394163 [0,2,0,0,0,0|1,0,1]=4 14440 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100153394163_100011215641 [0,2,0,0,0,0|1,0,1]=4 14441 B15R0.164 C#CCCCCCCCSCCNC(=O)C 62a_100000189650_100153394163 [0,2,0,0,0,0|1,0,1]=4 14442 B15R0.164 C#CCCCCCCCSCCNC(=O)C 62a_100153394163_100000189650 [0,2,0,0,0,0|1,0,1]=4 14443 B15R0.164 C#CCCCCCCCSCCOC(=O)C 62a_100009814007_100153394163 [0,2,0,0,0,0|0,0,1]=3 14444 B15R0.164 C#CCCCCCCCSCCOC(=O)C 62a_100153394163_100009814007 [0,2,0,0,0,0|0,0,1]=3 14445 B15R0.164 C#CCCCCCCCSCCOC(=O)N 62a_100153394163_200011214921 [0,2,0,0,0,0|1,0,1]=4 14446 B15R0.164 C#CCCCCCCCSCCOC(=O)N 62a_200011214921_100153394163 [0,2,0,0,0,0|1,0,1]=4 14447 B15R0.164 C#CCCCCCCNCCCNC(=O)C 34a_100000736810_100012276617 [0,2,0,0,0,0|1,0,1]=4 14448 B15R0.164 C#CCCCCCCOCCCCC(=O)C 34a_100011217361_100009817362 [0,2,0,0,0,0|1,0,1]=4 14449 B15R0.164 C#CCCCCCCOCCCCC(=O)C 7a_100011217361_100000735457 [0,2,0,0,0,0|1,0,1]=4 14450 B15R0.164 C#CCCCCCCOCCCNC(=O)C 34a_100000752032_100012276617 [0,2,0,0,0,0|1,0,1]=4 14451 B15R0.164 C#CCCCCCCOCCCOC(=O)C 34a_100011217361_100000042594 [0,2,0,0,0,0|0,0,1]=3 14452 B15R0.164 C#CCCCCCCOCCCOC(=O)C 7a_100011217361_100000042594 [0,2,0,0,0,0|0,0,1]=3 14453 B15R0.164 C#CCCCCCCOCCCOC(=S)C 34a_100011217361_200135323944 [0,2,0,0,0,0|0,1,1]=4 14454 B15R0.164 C#CCCCCCCOCCCOC(=S)C 7a_100011217361_200135323944 [0,2,0,0,0,0|0,1,1]=4 14455 B15R0.164 C#CCCCCCCOCCCSC(=O)C 34a_100011217361_100000038929 [0,2,0,0,0,0|0,1,1]=4 14456 B15R0.164 C#CCCCCCCOCCCSC(=O)C 7a_100011217361_100000038929 [0,2,0,0,0,0|0,1,1]=4 14457 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100000735457_100012276617 [0,2,0,0,0,0|1,0,1]=4 14458 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100012276617_100000735457 [0,2,0,0,0,0|1,0,1]=4 14459 B15R0.164 C#CCCCCCCSCCCOC(=O)C 62a_100000042594_100012276617 [0,2,0,0,0,0|0,0,1]=3 14460 B15R0.164 C#CCCCCCCSCCCOC(=O)C 62a_100012276617_100000042594 [0,2,0,0,0,0|0,0,1]=3 14461 B15R0.164 C#CCCCCCCSCCCOC(=S)C 62a_100012276617_200135323944 [0,2,0,0,0,0|0,1,1]=4 14462 B15R0.164 C#CCCCCCCSCCCOC(=S)C 62a_200135323944_100012276617 [0,2,0,0,0,0|0,1,1]=4 14463 B15R0.164 C#CCCCCCCSCCCSC(=O)C 62a_100000038929_100012276617 [0,2,0,0,0,0|0,1,1]=4 14464 B15R0.164 C#CCCCCCCSCCCSC(=O)C 62a_100012276617_100000038929 [0,2,0,0,0,0|0,1,1]=4 14465 B15R0.164 C#CCCCCCNCCCCNC(=O)C 2230a_200011368371_100012094781 [0,2,0,0,0,0|1,0,1]=4 14466 B15R0.164 C#CCCCCCNCCCCNC(=O)C 34a_200011368371_100012094781 [0,2,0,0,0,0|1,0,1]=4 14467 B15R0.164 C#CCCCCCOCCCCOC(=O)C 34a_100000073216_100012094781 [0,2,0,0,0,0|0,0,1]=3 14468 B15R0.164 C#CCCCCCOCCCCOC(=O)C 34a_100000766912_100000033659 [0,2,0,0,0,0|0,0,1]=3 14469 B15R0.164 C#CCCCCCOCCCCOC(=O)C 7a_100000073216_100012094781 [0,2,0,0,0,0|0,0,1]=3 14470 B15R0.164 C#CCCCCCOCCCCOC(=O)C 7a_100000766912_100000033659 [0,2,0,0,0,0|0,0,1]=3 14471 B15R0.164 C#CCCCCCOCCCCSC(=O)C 34a_100000766912_200010402107 [0,2,0,0,0,0|0,1,1]=4 14472 B15R0.164 C#CCCCCCOCCCCSC(=O)C 7a_100000766912_200010402107 [0,2,0,0,0,0|0,1,1]=4 14473 B15R0.164 C#CCCCCCOCOCCOC(=O)C 34a_100000766912_100000076355 [0,2,0,0,0,0|0,0,2]=4 14474 B15R0.164 C#CCCCCCSCCCCOC(=O)C 62a_100000033659_100012094781 [0,2,0,0,0,0|0,0,1]=3 14475 B15R0.164 C#CCCCCCSCCCCOC(=O)C 62a_100012094781_100000033659 [0,2,0,0,0,0|0,0,1]=3 14476 B15R0.164 C#CCCCCCSCCCCSC(=O)C 62a_100012094781_200010402107 [0,2,0,0,0,0|0,1,1]=4 14477 B15R0.164 C#CCCCCCSCCCCSC(=O)C 62a_200010402107_100012094781 [0,2,0,0,0,0|0,1,1]=4 14478 B15R0.164 C#CCCCCCSCOCCOC(=O)C 62a_100000076355_100012094781 [0,2,0,0,0,0|0,0,2]=4 14479 B15R0.164 C#CCCCCCSCOCCOC(=O)C 62a_100012094781_100000076355 [0,2,0,0,0,0|0,0,2]=4 14480 B15R0.164 C#CCCCCNCCCCCNC(=O)C 2230a_200012022750_100010269958 [0,2,0,0,0,0|1,0,1]=4 14481 B15R0.164 C#CCCCCNCCCCCNC(=O)C 34a_200012022750_100010269958 [0,2,0,0,0,0|1,0,1]=4 14482 B15R0.164 C#CCCCCNCCCCCOC(=O)C 2230a_100000706060_100009813381 [0,2,0,0,0,0|0,0,1]=3 14483 B15R0.164 C#CCCCCNCCCCCOC(=O)C 34a_100000706060_100000033007 [0,2,0,0,0,0|0,0,1]=3 14484 B15R0.164 C#CCCCCNCCOCCOC(=O)C 2230a_100000706060_200000083610 [0,2,0,0,0,0|0,0,2]=4 14485 B15R0.164 C#CCCCCNCCOCCOC(=O)C 34a_100000706060_200000083610 [0,2,0,0,0,0|0,0,2]=4 14486 B15R0.164 C#CCCCCOCCCCCOC(=O)C 34a_100000766709_100000033007 [0,2,0,0,0,0|0,0,1]=3 14487 B15R0.164 C#CCCCCOCCCCCOC(=O)C 7a_100000766709_100000033007 [0,2,0,0,0,0|0,0,1]=3 14488 B15R0.164 C#CCCCCOCCOCCOC(=O)C 34a_100000766709_200000083610 [0,2,0,0,0,0|0,0,2]=4 14489 B15R0.164 C#CCCCCOCCOCCOC(=O)C 7a_100000766709_200000083610 [0,2,0,0,0,0|0,0,2]=4 14490 B15R0.164 C#CCCCCSCCCCCOC(=O)C 62a_100000033007_100010269958 [0,2,0,0,0,0|0,0,1]=3 14491 B15R0.164 C#CCCCCSCCCCCOC(=O)C 62a_100010269958_100000033007 [0,2,0,0,0,0|0,0,1]=3 14492 B15R0.164 C#CCCCCSCCOCCOC(=O)C 62a_100010269958_200000083610 [0,2,0,0,0,0|0,0,2]=4 14493 B15R0.164 C#CCCCCSCCOCCOC(=O)C 62a_200000083610_100010269958 [0,2,0,0,0,0|0,0,2]=4 14494 B15R0.164 C#CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000731252 [0,2,0,0,0,0|1,0,1]=4 14495 B15R0.164 C#CCCCNCCCCCCNC(=O)C 34a_200011996284_100000695029 [0,2,0,0,0,0|1,0,1]=4 14496 B15R0.164 C#CCOCCCCCCOCOC(=O)C 34a_200011021349_100009813279 [0,2,0,0,0,0|0,0,2]=4 14497 B15R0.164 C#CCOCCNCCCCCOC(=O)C 2230a_100000700922_100009813381 [0,2,0,0,0,0|0,0,2]=4 14498 B15R0.164 C#CCOCCNCCCCCOC(=O)C 34a_100000700922_100000033007 [0,2,0,0,0,0|0,0,2]=4 14499 B15R0.164 C#CCOCCOCCCCCOC(=O)C 34a_100000054580_100000033007 [0,2,0,0,0,0|0,0,2]=4 14500 B15R0.164 C#CCOCCOCCCCCOC(=O)C 7a_100000054580_100000033007 [0,2,0,0,0,0|0,0,2]=4 14501 B15R0.164 C#CCOCCSCCCCCOC(=O)C 62a_100000033007_100010402529 [0,2,0,0,0,0|0,0,2]=4 14502 B15R0.164 C#CCOCCSCCCCCOC(=O)C 62a_100010402529_100000033007 [0,2,0,0,0,0|0,0,2]=4 14503 B15R0.164 C=C(Br)CCOCCCCCCCCCC 34a_100009813270_100000210320 [0,2,0,0,0,0|1,0,1]=4 14504 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [0,2,0,0,0,0|2,0,0]=4 14505 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [0,2,0,0,0,0|2,0,0]=4 14506 B15R0.164 C=C(C)CCNCCCCCCCCCO 2230a_100000078944_100000730704 [0,2,0,0,0,0|2,0,0]=4 14507 B15R0.164 C=C(C)CCNCCCCCCCCCO 34a_100000078944_100000730704 [0,2,0,0,0,0|2,0,0]=4 14508 B15R0.164 C=C(C)CCOCCCCCCCCCBr 34a_100009813782_100000730704 [0,2,0,0,0,0|2,0,0]=4 14509 B15R0.164 C=C(C)CCOCCCCCCCCCBr 7a_100009813782_100000730704 [0,2,0,0,0,0|2,0,0]=4 14510 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000210711_100000730704 [0,2,0,0,0,0|1,0,0]=3 14511 B15R0.164 C=C(C)CCOCCCCCCCCCC 34a_100000764851_100000210320 [0,2,0,0,0,0|1,0,0]=3 14512 B15R0.164 C=C(C)CCOCCCCCCCCCC 7a_100000210711_100000730704 [0,2,0,0,0,0|1,0,0]=3 14513 B15R0.164 C=C(C)CCOCCCCCCCCCCl 34a_100009868337_100000730704 [0,2,0,0,0,0|2,0,0]=4 14514 B15R0.164 C=C(C)CCOCCCCCCCCCCl 7a_100009868337_100000730704 [0,2,0,0,0,0|2,0,0]=4 14515 B15R0.164 C=C(C)CCOCCCCCCCCCN 34a_100000078944_100000730704 [0,2,0,0,0,0|2,0,0]=4 14516 B15R0.164 C=C(C)CCOCCCCCCCCCO 34a_100000764851_100009813782 [0,2,0,0,0,0|2,0,0]=4 14517 B15R0.164 C=C(C)CCSCCCCCCCCCC 62a_100000730704_100000210320 [0,2,0,0,0,0|1,1,0]=4 14518 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100000730704_100009813782 [0,2,0,0,0,0|2,0,0]=4 14519 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100009813782_100000730704 [0,2,0,0,0,0|2,0,0]=4 14520 B15R0.164 C=C(C)CNCCCCCCCCCCC 2230a_200011215754_100000748629 [0,2,0,0,0,0|2,0,0]=4 14521 B15R0.164 C=C(C)CNCCCCCCCCCCC 34a_200011215754_100000748629 [0,2,0,0,0,0|2,0,0]=4 14522 B15R0.164 C=C(C)CNCCCCCCCCCCO 2230a_100000066964_100000748629 [0,2,0,0,0,0|2,0,0]=4 14523 B15R0.164 C=C(C)CNCCCCCCCCCCO 34a_100000066964_100000748629 [0,2,0,0,0,0|2,0,0]=4 14524 B15R0.164 C=C(C)COC/C=C/CCCCCCCC 34a_200020667288_100000748629 [0,2,0,0,0,0|1,0,1]=4 14525 B15R0.164 C=C(C)COC/C=C/CCCCCCCC 7a_200020667288_100000748629 [0,2,0,0,0,0|1,0,1]=4 14526 B15R0.164 C=C(C)COCCCCCCCCCCBr 34a_100009813290_100000748629 [0,2,0,0,0,0|1,0,0]=3 14527 B15R0.164 C=C(C)COCCCCCCCCCCBr 7a_100009813290_100000748629 [0,2,0,0,0,0|1,0,0]=3 14528 B15R0.164 C=C(C)COCCCCCCCCCCC 34a_100000210245_100011215454 [0,2,0,0,0,0|1,0,0]=3 14529 B15R0.164 C=C(C)COCCCCCCCCCCC 34a_100000210809_100000748629 [0,2,0,0,0,0|1,0,0]=3 14530 B15R0.164 C=C(C)COCCCCCCCCCCC 7a_100000210809_100000748629 [0,2,0,0,0,0|1,0,0]=3 14531 B15R0.164 C=C(C)COCCCCCCCCCCCl 34a_200000033068_100000748629 [0,2,0,0,0,0|1,0,0]=3 14532 B15R0.164 C=C(C)COCCCCCCCCCCCl 7a_200000033068_100000748629 [0,2,0,0,0,0|1,0,0]=3 14533 B15R0.164 C=C(C)COCCCCCCCCCCN 34a_100000066964_100000748629 [0,2,0,0,0,0|1,0,0]=3 14534 B15R0.164 C=C(C)COCCCCCCCCCCO 34a_100000210245_100009813290 [0,2,0,0,0,0|1,0,0]=3 14535 B15R0.164 C=C(C)CSCCCCCCCCCCC 62a_100000748629_100011215454 [0,2,0,0,0,0|1,1,0]=4 14536 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100000748629_200000033068 [0,2,0,0,0,0|1,1,0]=4 14537 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100009813290_100000211660 [0,2,0,0,0,0|1,1,0]=4 14538 B15R0.164 C=C(F)COCCCCCCCCCCBr 34a_100009813290_100009893438 [0,2,0,0,0,0|1,0,1]=4 14539 B15R0.164 C=C(F)COCCCCCCCCCCBr 7a_100009813290_100000042424 [0,2,0,0,0,0|1,0,1]=4 14540 B15R0.164 C=C(F)COCCCCCCCCCCC 34a_100000210809_100009893438 [0,2,0,0,0,0|1,0,1]=4 14541 B15R0.164 C=C(F)COCCCCCCCCCCC 34a_200010262243_100011215454 [0,2,0,0,0,0|1,0,1]=4 14542 B15R0.164 C=C(F)COCCCCCCCCCCC 7a_100000210809_100000042424 [0,2,0,0,0,0|1,0,1]=4 14543 B15R0.164 C=C(F)COCCCCCCCCCCCl 34a_200000033068_100009893438 [0,2,0,0,0,0|1,0,1]=4 14544 B15R0.164 C=C(F)COCCCCCCCCCCCl 7a_200000033068_100000042424 [0,2,0,0,0,0|1,0,1]=4 14545 B15R0.164 C=C(F)COCCCCCCCCCCN 34a_100000066964_100009893438 [0,2,0,0,0,0|1,0,1]=4 14546 B15R0.164 C=C(F)COCCCCCCCCCCO 34a_200010262243_100009813290 [0,2,0,0,0,0|1,0,1]=4 14547 B15R0.164 C=CCCCCCCCCCCCC(=O)C 1458a_100000070787_102130925996 [0,2,0,0,0,0|1,0,0]=3 14548 B15R0.164 C=CCCCCCCCCCCOC(C)C 34a_100000212225_100011093070 [0,2,0,0,0,0|1,0,1]=4 14549 B15R0.164 C=CCCCCCCCCCOCC(=C)C 34a_100000038209_100000748629 [0,2,0,0,0,0|1,0,1]=4 14550 B15R0.164 C=CCCCCCCCCCOCC(=C)C 34a_100000210245_100009814027 [0,2,0,0,0,0|1,0,1]=4 14551 B15R0.164 C=CCCCCCCCCCOCC(=C)C 7a_100000038209_100000748629 [0,2,0,0,0,0|1,0,1]=4 14552 B15R0.164 C=CCCCCCCCCCOCC(=O)C 34a_100000211253_100009814027 [0,2,0,0,0,0|0,0,1]=3 14553 B15R0.164 C=CCCCCCCCCCOCC(=O)N 34a_100000038209_100000187820 [0,2,0,0,0,0|1,0,1]=4 14554 B15R0.164 C=CCCCCCCCCCOCC(=O)N 7a_100000038209_100000187820 [0,2,0,0,0,0|1,0,1]=4 14555 B15R0.164 C=CCCCCCCCCCOCC(=O)[O-] 34a_100000038209_100020667443 [0,2,0,0,0,0|1,0,1]=4 14556 B15R0.164 C=CCCCCCCCCOCCC(=O)C 34a_100000759926_100011933949 [0,2,0,0,0,0|0,0,2]=4 14557 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100000759926_100011933949 [0,2,0,0,0,0|0,0,2]=4 14558 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100011215194_100000053229 [0,2,0,0,0,0|0,0,2]=4 14559 B15R0.164 C=CCCCCCCCCOCOC(=O)C 34a_100011215194_100009813279 [0,2,0,0,0,0|0,0,1]=3 14560 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100000053229_100011933949 [0,2,0,0,0,0|1,0,1]=4 14561 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100011933949_100000053229 [0,2,0,0,0,0|1,0,1]=4 14562 B15R0.164 C=CCCCCCCCCSCOC(=O)C 62a_100000076356_100011933949 [0,2,0,0,0,0|0,0,1]=3 14563 B15R0.164 C=CCCCCCCCCSCOC(=O)C 62a_100011933949_100000076356 [0,2,0,0,0,0|0,0,1]=3 14564 B15R0.164 C=CCCCCCCCNCCNC(=O)C 2230a_100000209853_100012355270 [0,2,0,0,0,0|1,0,1]=4 14565 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000730831_100000685027 [0,2,0,0,0,0|1,0,1]=4 14566 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000759063_100012355270 [0,2,0,0,0,0|1,0,1]=4 14567 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000730831_100011215641 [0,2,0,0,0,0|1,0,1]=4 14568 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000759063_100012355270 [0,2,0,0,0,0|1,0,1]=4 14569 B15R0.164 C=CCCCCCCCOCCNC(=O)C 34a_100000158858_100012355270 [0,2,0,0,0,0|1,0,1]=4 14570 B15R0.164 C=CCCCCCCCOCCNC(=O)C 7a_100000730831_100000189650 [0,2,0,0,0,0|1,0,1]=4 14571 B15R0.164 C=CCCCCCCCOCCOC(=O)C 34a_100000730831_100009814007 [0,2,0,0,0,0|0,0,1]=3 14572 B15R0.164 C=CCCCCCCCOCCOC(=O)C 7a_100000730831_100009814007 [0,2,0,0,0,0|0,0,1]=3 14573 B15R0.164 C=CCCCCCCCOCCOC(=O)N 34a_100000730831_200011214921 [0,2,0,0,0,0|1,0,1]=4 14574 B15R0.164 C=CCCCCCCCOCCOC(=O)N 7a_100000730831_200011214921 [0,2,0,0,0,0|1,0,1]=4 14575 B15R0.164 C=CCCCCCCCOCCOC(=O)N 7a_100000766696_100012355270 [0,2,0,0,0,0|1,0,1]=4 14576 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100011215641_100012355270 [0,2,0,0,0,0|1,0,1]=4 14577 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100012355270_100011215641 [0,2,0,0,0,0|1,0,1]=4 14578 B15R0.164 C=CCCCCCCCSCCNC(=O)C 62a_100000189650_100012355270 [0,2,0,0,0,0|1,0,1]=4 14579 B15R0.164 C=CCCCCCCCSCCNC(=O)C 62a_100012355270_100000189650 [0,2,0,0,0,0|1,0,1]=4 14580 B15R0.164 C=CCCCCCCCSCCOC(=O)C 62a_100009814007_100012355270 [0,2,0,0,0,0|0,0,1]=3 14581 B15R0.164 C=CCCCCCCCSCCOC(=O)C 62a_100012355270_100009814007 [0,2,0,0,0,0|0,0,1]=3 14582 B15R0.164 C=CCCCCCCCSCCOC(=O)N 62a_100012355270_200011214921 [0,2,0,0,0,0|1,0,1]=4 14583 B15R0.164 C=CCCCCCCCSCCOC(=O)N 62a_200011214921_100012355270 [0,2,0,0,0,0|1,0,1]=4 14584 B15R0.164 C=CCCCCCCNCCCNC(=O)C 34a_100000736810_100011215473 [0,2,0,0,0,0|1,0,1]=4 14585 B15R0.164 C=CCCCCCCOCCCCC(=O)C 34a_200011216477_100009817362 [0,2,0,0,0,0|1,0,1]=4 14586 B15R0.164 C=CCCCCCCOCCCCC(=O)C 7a_200011216477_100000735457 [0,2,0,0,0,0|1,0,1]=4 14587 B15R0.164 C=CCCCCCCOCCCNC(=O)C 34a_100000752032_100011215473 [0,2,0,0,0,0|1,0,1]=4 14588 B15R0.164 C=CCCCCCCOCCCOC(=O)C 34a_200011216477_100000042594 [0,2,0,0,0,0|0,0,1]=3 14589 B15R0.164 C=CCCCCCCOCCCOC(=O)C 7a_200011216477_100000042594 [0,2,0,0,0,0|0,0,1]=3 14590 B15R0.164 C=CCCCCCCOCCCOC(=S)C 34a_200011216477_200135323944 [0,2,0,0,0,0|0,1,1]=4 14591 B15R0.164 C=CCCCCCCOCCCOC(=S)C 7a_200011216477_200135323944 [0,2,0,0,0,0|0,1,1]=4 14592 B15R0.164 C=CCCCCCCOCCCSC(=O)C 34a_200011216477_100000038929 [0,2,0,0,0,0|0,1,1]=4 14593 B15R0.164 C=CCCCCCCOCCCSC(=O)C 7a_200011216477_100000038929 [0,2,0,0,0,0|0,1,1]=4 14594 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100000735457_100011215473 [0,2,0,0,0,0|1,0,1]=4 14595 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100011215473_100000735457 [0,2,0,0,0,0|1,0,1]=4 14596 B15R0.164 C=CCCCCCCSCCCOC(=O)C 62a_100000042594_100011215473 [0,2,0,0,0,0|0,0,1]=3 14597 B15R0.164 C=CCCCCCCSCCCOC(=O)C 62a_100011215473_100000042594 [0,2,0,0,0,0|0,0,1]=3 14598 B15R0.164 C=CCCCCCCSCCCOC(=S)C 62a_100011215473_200135323944 [0,2,0,0,0,0|0,1,1]=4 14599 B15R0.164 C=CCCCCCCSCCCOC(=S)C 62a_200135323944_100011215473 [0,2,0,0,0,0|0,1,1]=4 14600 B15R0.164 C=CCCCCCCSCCCSC(=O)C 62a_100000038929_100011215473 [0,2,0,0,0,0|0,1,1]=4 14601 B15R0.164 C=CCCCCCCSCCCSC(=O)C 62a_100011215473_100000038929 [0,2,0,0,0,0|0,1,1]=4 14602 B15R0.164 C=CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000700193 [0,2,0,0,0,0|1,0,1]=4 14603 B15R0.164 C=CCCCCCNCCCCNC(=O)C 34a_200011368371_100000700193 [0,2,0,0,0,0|1,0,1]=4 14604 B15R0.164 C=CCCCCCOCCCCOC(=O)C 34a_100000073216_100000700193 [0,2,0,0,0,0|0,0,1]=3 14605 B15R0.164 C=CCCCCCOCCCCOC(=O)C 34a_100011216702_100000033659 [0,2,0,0,0,0|0,0,1]=3 14606 B15R0.164 C=CCCCCCOCCCCOC(=O)C 7a_100000073216_100000700193 [0,2,0,0,0,0|0,0,1]=3 14607 B15R0.164 C=CCCCCCOCCCCOC(=O)C 7a_100011216702_100000033659 [0,2,0,0,0,0|0,0,1]=3 14608 B15R0.164 C=CCCCCCOCCCCSC(=O)C 34a_100011216702_200010402107 [0,2,0,0,0,0|0,1,1]=4 14609 B15R0.164 C=CCCCCCOCCCCSC(=O)C 7a_100011216702_200010402107 [0,2,0,0,0,0|0,1,1]=4 14610 B15R0.164 C=CCCCCCOCOCCOC(=O)C 34a_100011216702_100000076355 [0,2,0,0,0,0|0,0,2]=4 14611 B15R0.164 C=CCCCCCSCCCCOC(=O)C 62a_100000033659_100000700193 [0,2,0,0,0,0|0,0,1]=3 14612 B15R0.164 C=CCCCCCSCCCCOC(=O)C 62a_100000700193_100000033659 [0,2,0,0,0,0|0,0,1]=3 14613 B15R0.164 C=CCCCCCSCCCCSC(=O)C 62a_100000700193_200010402107 [0,2,0,0,0,0|0,1,1]=4 14614 B15R0.164 C=CCCCCCSCCCCSC(=O)C 62a_200010402107_100000700193 [0,2,0,0,0,0|0,1,1]=4 14615 B15R0.164 C=CCCCCCSCOCCOC(=O)C 62a_100000076355_100000700193 [0,2,0,0,0,0|0,0,2]=4 14616 B15R0.164 C=CCCCCCSCOCCOC(=O)C 62a_100000700193_100000076355 [0,2,0,0,0,0|0,0,2]=4 14617 B15R0.164 C=CCCCCNCCCCCNC(=O)C 2230a_200012022750_100011215482 [0,2,0,0,0,0|1,0,1]=4 14618 B15R0.164 C=CCCCCNCCCCCNC(=O)C 34a_200012022750_100011215482 [0,2,0,0,0,0|1,0,1]=4 14619 B15R0.164 C=CCCCCNCCCCCOC(=O)C 2230a_100000703577_100009813381 [0,2,0,0,0,0|0,0,1]=3 14620 B15R0.164 C=CCCCCNCCCCCOC(=O)C 34a_100000703577_100000033007 [0,2,0,0,0,0|0,0,1]=3 14621 B15R0.164 C=CCCCCNCCOCCOC(=O)C 2230a_100000703577_200000083610 [0,2,0,0,0,0|0,0,2]=4 14622 B15R0.164 C=CCCCCNCCOCCOC(=O)C 34a_100000703577_200000083610 [0,2,0,0,0,0|0,0,2]=4 14623 B15R0.164 C=CCCCCOCCCCCOC(=O)C 34a_100000766645_100000033007 [0,2,0,0,0,0|0,0,1]=3 14624 B15R0.164 C=CCCCCOCCCCCOC(=O)C 7a_100000766645_100000033007 [0,2,0,0,0,0|0,0,1]=3 14625 B15R0.164 C=CCCCCOCCOCCOC(=O)C 34a_100000766645_200000083610 [0,2,0,0,0,0|0,0,2]=4 14626 B15R0.164 C=CCCCCOCCOCCOC(=O)C 7a_100000766645_200000083610 [0,2,0,0,0,0|0,0,2]=4 14627 B15R0.164 C=CCCCCSCCCCCOC(=O)C 62a_100000033007_100011215482 [0,2,0,0,0,0|0,0,1]=3 14628 B15R0.164 C=CCCCCSCCCCCOC(=O)C 62a_100011215482_100000033007 [0,2,0,0,0,0|0,0,1]=3 14629 B15R0.164 C=CCCCCSCCOCCOC(=O)C 62a_100011215482_200000083610 [0,2,0,0,0,0|0,0,2]=4 14630 B15R0.164 C=CCCCCSCCOCCOC(=O)C 62a_200000083610_100011215482 [0,2,0,0,0,0|0,0,2]=4 14631 B15R0.164 C=CCCCNCCCCCCNC(=O)C 2230a_200011996284_100011713584 [0,2,0,0,0,0|1,0,1]=4 14632 B15R0.164 C=CCCCNCCCCCCNC(=O)C 34a_200011996284_100000757094 [0,2,0,0,0,0|1,0,1]=4 14633 B15R0.164 C=CCOCCOCCCCCOC(=O)C 34a_100000037705_100000033007 [0,2,0,0,0,0|0,0,2]=4 14634 B15R0.164 C=CCOCCOCCCCCOC(=O)C 7a_100000037705_100000033007 [0,2,0,0,0,0|0,0,2]=4 14635 B15R0.164 C=COCCCCOCCCCOC(=O)C 34a_100000031558_100000033659 [0,2,0,0,0,0|0,0,2]=4 14636 B15R0.164 C=COCCCCOCCCCOC(=O)C 7a_100000031558_100000033659 [0,2,0,0,0,0|0,0,2]=4 14637 B15R0.164 C=COCCCNCCCCCOC(=O)C 2230a_100000210767_100009813381 [0,2,0,0,0,0|0,0,2]=4 14638 B15R0.164 C=COCCCNCCCCCOC(=O)C 34a_100000210767_100000033007 [0,2,0,0,0,0|0,0,2]=4 14639 B15R0.164 CC(=CCCNCCCCCCCCO)C 2230a_102515433106_100011217483 [0,2,0,0,0,0|2,0,0]=4 14640 B15R0.164 CC(=CCCNCCCCCCCCO)C 34a_102515433106_100011217483 [0,2,0,0,0,0|2,0,0]=4 14641 B15R0.164 CC(=CCCOCCCCCCCCBr)C 34a_100009813846_100011217483 [0,2,0,0,0,0|2,0,0]=4 14642 B15R0.164 CC(=CCCOCCCCCCCCBr)C 7a_100009813846_100011217483 [0,2,0,0,0,0|2,0,0]=4 14643 B15R0.164 CC(=CCCOCCCCCCCCCl)C 34a_100000033203_100011217483 [0,2,0,0,0,0|2,0,0]=4 14644 B15R0.164 CC(=CCCOCCCCCCCCCl)C 7a_100000033203_100011217483 [0,2,0,0,0,0|2,0,0]=4 14645 B15R0.164 CC(=CCCOCCCCCCCCN)C 34a_102515433106_100011217483 [0,2,0,0,0,0|2,0,0]=4 14646 B15R0.164 CC(=CCCSCCCCCCCCO)C 62a_100000033203_100011217483 [0,2,0,0,0,0|2,0,0]=4 14647 B15R0.164 CC(=CCCSCCCCCCCCO)C 62a_100011217483_100000033203 [0,2,0,0,0,0|2,0,0]=4 14648 B15R0.164 CC(=CCNCCCCCCCCCO)C 2230a_100000078944_100000761012 [0,2,0,0,0,0|2,0,0]=4 14649 B15R0.164 CC(=CCNCCCCCCCCCO)C 34a_100000078944_100000761012 [0,2,0,0,0,0|2,0,0]=4 14650 B15R0.164 CC(=CCNCCCCCCCCCO)C 34a_100000718196_100009813782 [0,2,0,0,0,0|2,0,0]=4 14651 B15R0.164 CC(=CCOCCCCCCCCCBr)C 34a_100009813782_100000761012 [0,2,0,0,0,0|2,0,0]=4 14652 B15R0.164 CC(=CCOCCCCCCCCCBr)C 7a_100009813782_100000761012 [0,2,0,0,0,0|2,0,0]=4 14653 B15R0.164 CC(=CCOCCCCCCCCCCl)C 34a_100009868337_100000761012 [0,2,0,0,0,0|2,0,0]=4 14654 B15R0.164 CC(=CCOCCCCCCCCCCl)C 7a_100009868337_100000761012 [0,2,0,0,0,0|2,0,0]=4 14655 B15R0.164 CC(=CCOCCCCCCCCCN)C 34a_100000078944_100000761012 [0,2,0,0,0,0|2,0,0]=4 14656 B15R0.164 CC(=CCOCCCCCCCCCO)C 34a_100000753907_100009813782 [0,2,0,0,0,0|2,0,0]=4 14657 B15R0.164 CC(=CCSCCCCCCCCCO)C 62a_100000761012_100009813782 [0,2,0,0,0,0|2,0,0]=4 14658 B15R0.164 CC(=CCSCCCCCCCCCO)C 62a_100009813782_100000761012 [0,2,0,0,0,0|2,0,0]=4 14659 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [0,2,0,0,0,0|1,0,0]=3 14660 B15R0.164 CC(=O)CCCCCCOCCCCCO 1458a_100000070787_200132310570 [0,2,0,0,0,0|1,0,0]=3 14661 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [0,2,0,0,0,0|1,0,0]=3 14662 B15R0.164 CC(=O)CCCCNCCCOCCCO 34a_100011310245_100009817362 [0,2,0,0,0,0|2,0,0]=4 14663 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [0,2,0,0,0,0|1,0,0]=3 14664 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [0,2,0,0,0,0|1,0,0]=3 14665 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [0,2,0,0,0,0|1,0,0]=3 14666 B15R0.164 CC(=O)CCCCOCCCOCCCN 34a_100011310245_100009817362 [0,2,0,0,0,0|2,0,0]=4 14667 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100000735457_100009813337 [0,2,0,0,0,0|1,0,1]=4 14668 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000735457 [0,2,0,0,0,0|1,0,1]=4 14669 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [0,2,0,0,0,0|1,0,0]=3 14670 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [0,2,0,0,0,0|1,0,0]=3 14671 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [0,2,0,0,0,0|1,0,0]=3 14672 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [0,2,0,0,0,0|1,0,0]=3 14673 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [0,2,0,0,0,0|1,0,0]=3 14674 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [0,2,0,0,0,0|1,0,0]=3 14675 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [0,2,0,0,0,0|1,0,0]=3 14676 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [0,2,0,0,0,0|1,0,0]=3 14677 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [0,2,0,0,0,0|1,0,0]=3 14678 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [0,2,0,0,0,0|1,0,0]=3 14679 B15R0.164 CC(=O)CCCOCCCCCNCCN 34a_103619048469_100000685027 [0,2,0,0,0,0|2,0,0]=4 14680 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [0,2,0,0,0,0|1,0,0]=3 14681 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [0,2,0,0,0,0|1,0,0]=3 14682 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [0,2,0,0,0,0|1,0,0]=3 14683 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [0,2,0,0,0,0|1,0,0]=3 14684 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [0,2,0,0,0,0|1,0,0]=3 14685 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [0,2,0,0,0,0|1,0,0]=3 14686 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [0,2,0,0,0,0|1,0,0]=3 14687 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [0,2,0,0,0,0|1,0,0]=3 14688 B15R0.164 CC(=O)COCCCCCCCCCCO 34a_100000211253_100009813290 [0,2,0,0,0,0|0,0,0]=2 14689 B15R0.164 CC(=O)NCCCCCCNCCCC#N 2230a_200011996284_100000687738 [0,2,0,0,0,0|1,0,1]=4 14690 B15R0.164 CC(=O)NCCCCCCNCCCC=O 2230a_200011996284_200011292268 [0,2,0,0,0,0|1,0,1]=4 14691 B15R0.164 CC(=O)NCCCCCCNCCCCF 2230a_200011996284_100000729493 [0,2,0,0,0,0|1,0,0]=3 14692 B15R0.164 CC(=O)NCCCCCCNCCCCF 34a_200011996284_100000729493 [0,2,0,0,0,0|1,0,0]=3 14693 B15R0.164 CC(=O)NCCCCCCNCCCCO 2230a_200011996284_100000210776 [0,2,0,0,0,0|1,0,0]=3 14694 B15R0.164 CC(=O)NCCCCCCNCCCCO 34a_200011996284_100011216708 [0,2,0,0,0,0|1,0,0]=3 14695 B15R0.164 CC(=O)NCCCCCNCCCCC#N 2230a_200012022750_100000211819 [0,2,0,0,0,0|1,0,1]=4 14696 B15R0.164 CC(=O)NCCCCCNCCCCC=O 2230a_200012022750_100000139335 [0,2,0,0,0,0|1,0,1]=4 14697 B15R0.164 CC(=O)NCCCCCNCCCCCF 2230a_200012022750_100000729378 [0,2,0,0,0,0|1,0,0]=3 14698 B15R0.164 CC(=O)NCCCCCNCCCCCF 34a_200012022750_100000729378 [0,2,0,0,0,0|1,0,0]=3 14699 B15R0.164 CC(=O)NCCCCCNCCCCCO 2230a_200012022750_100000746330 [0,2,0,0,0,0|1,0,0]=3 14700 B15R0.164 CC(=O)NCCCCCNCCCCCO 34a_200012022750_100000746330 [0,2,0,0,0,0|1,0,0]=3 14701 B15R0.164 CC(=O)NCCCCCNCCOCCO 2230a_200012022750_100011215305 [0,2,0,0,0,0|2,0,0]=4 14702 B15R0.164 CC(=O)NCCCCCNCCOCCO 34a_200012022750_100000692535 [0,2,0,0,0,0|2,0,0]=4 14703 B15R0.164 CC(=O)NCCCCNCCCCCC#N 2230a_200011368371_100009813376 [0,2,0,0,0,0|1,0,1]=4 14704 B15R0.164 CC(=O)NCCCCNCCCCCC=O 2230a_200011368371_100000139337 [0,2,0,0,0,0|1,0,1]=4 14705 B15R0.164 CC(=O)NCCCCNCCCCCCF 2230a_200011368371_100015922095 [0,2,0,0,0,0|1,0,0]=3 14706 B15R0.164 CC(=O)NCCCCNCCCCCCF 34a_200011368371_100015922095 [0,2,0,0,0,0|1,0,0]=3 14707 B15R0.164 CC(=O)NCCCCNCCCCCCO 2230a_200011368371_100000766143 [0,2,0,0,0,0|1,0,0]=3 14708 B15R0.164 CC(=O)NCCCCNCCCCCCO 34a_200011368371_100000766143 [0,2,0,0,0,0|1,0,0]=3 14709 B15R0.164 CC(=O)NCCCNCCCCCCCO 34a_100000736810_100000760002 [0,2,0,0,0,0|1,0,0]=3 14710 B15R0.164 CC(=O)NCCCOCCCCCCCO 34a_100000752032_100000760002 [0,2,0,0,0,0|1,0,0]=3 14711 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_100000209853_100000033203 [0,2,0,0,0,0|1,0,0]=3 14712 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_102515433106_100000189650 [0,2,0,0,0,0|1,0,0]=3 14713 B15R0.164 CC(=O)NCCOCCCCCCCCBr 7a_100009813846_100000189650 [0,2,0,0,0,0|1,0,0]=3 14714 B15R0.164 CC(=O)NCCOCCCCCCCCCl 7a_100000033203_100000189650 [0,2,0,0,0,0|1,0,0]=3 14715 B15R0.164 CC(=O)NCCOCCCCCCCCO 34a_100000158858_100000033203 [0,2,0,0,0,0|1,0,0]=3 14716 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000033203_100000189650 [0,2,0,0,0,0|1,0,0]=3 14717 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000189650_100000033203 [0,2,0,0,0,0|1,0,0]=3 14718 B15R0.164 CC(=O)OCCCCCNCCCCCO 2230a_100000762737_100009813381 [0,2,0,0,0,0|0,0,0]=2 14719 B15R0.164 CC(=O)OCCCCCNCCCCCO 34a_100000762737_100000033007 [0,2,0,0,0,0|0,0,0]=2 14720 B15R0.164 CC(=O)OCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100009813381 [0,2,0,0,0,0|2,0,0]=4 14721 B15R0.164 CC(=O)OCCCCCNCCOCCO 2230a_100000211614_100009813381 [0,2,0,0,0,0|1,0,0]=3 14722 B15R0.164 CC(=O)OCCCCCNCCOCCO 34a_100000211614_100000033007 [0,2,0,0,0,0|1,0,0]=3 14723 B15R0.164 CC(=O)OCCCCCNCCSCCO 2230a_100011219999_100009813381 [0,2,0,0,0,0|1,0,0]=3 14724 B15R0.164 CC(=O)OCCCCCOCCCCCBr 34a_100000746331_100000033007 [0,2,0,0,0,0|0,0,0]=2 14725 B15R0.164 CC(=O)OCCCCCOCCCCCBr 7a_100000746331_100000033007 [0,2,0,0,0,0|0,0,0]=2 14726 B15R0.164 CC(=O)OCCCCCOCCCCCCl 34a_100000746330_100000033007 [0,2,0,0,0,0|0,0,0]=2 14727 B15R0.164 CC(=O)OCCCCCOCCCCCCl 7a_100000746330_100000033007 [0,2,0,0,0,0|0,0,0]=2 14728 B15R0.164 CC(=O)OCCCCCOCCCCCI 34a_200012148887_100000033007 [0,2,0,0,0,0|0,0,0]=2 14729 B15R0.164 CC(=O)OCCCCCOCCCCCI 7a_200012148887_100000033007 [0,2,0,0,0,0|0,0,0]=2 14730 B15R0.164 CC(=O)OCCCCCOCCCCCN 34a_100000762737_100000033007 [0,2,0,0,0,0|0,0,0]=2 14731 B15R0.164 CC(=O)OCCCCCOCCOCCBr 34a_100000692535_100000033007 [0,2,0,0,0,0|1,0,0]=3 14732 B15R0.164 CC(=O)OCCCCCOCCOCCBr 7a_100000692535_100000033007 [0,2,0,0,0,0|1,0,0]=3 14733 B15R0.164 CC(=O)OCCCCCOCCOCCCl 34a_100011215305_100000033007 [0,2,0,0,0,0|1,0,0]=3 14734 B15R0.164 CC(=O)OCCCCCOCCOCCCl 7a_100011215305_100000033007 [0,2,0,0,0,0|1,0,0]=3 14735 B15R0.164 CC(=O)OCCCCCOCCOCCF 34a_200015357709_100000033007 [0,2,0,0,0,0|1,0,0]=3 14736 B15R0.164 CC(=O)OCCCCCOCCOCCF 7a_200015357709_100000033007 [0,2,0,0,0,0|1,0,0]=3 14737 B15R0.164 CC(=O)OCCCCCOCCOCCI 34a_100012149058_100000033007 [0,2,0,0,0,0|1,0,0]=3 14738 B15R0.164 CC(=O)OCCCCCOCCOCCI 7a_100012149058_100000033007 [0,2,0,0,0,0|1,0,0]=3 14739 B15R0.164 CC(=O)OCCCCCOCCOCCN 34a_100000211614_100000033007 [0,2,0,0,0,0|1,0,0]=3 14740 B15R0.164 CC(=O)OCCCCCSCCCCC#N 62a_100000033007_100000211819 [0,2,0,0,0,0|0,0,1]=3 14741 B15R0.164 CC(=O)OCCCCCSCCCCC#N 62a_100011219923_100000033007 [0,2,0,0,0,0|0,0,1]=3 14742 B15R0.164 CC(=O)OCCCCCSCCCCC=O 62a_100000033007_100000139335 [0,2,0,0,0,0|0,0,1]=3 14743 B15R0.164 CC(=O)OCCCCCSCCCCC=O 62a_100000139335_100000033007 [0,2,0,0,0,0|0,0,1]=3 14744 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000033007_100000729378 [0,2,0,0,0,0|0,0,0]=2 14745 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000729378_100000033007 [0,2,0,0,0,0|0,0,0]=2 14746 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000033007_100000746330 [0,2,0,0,0,0|0,0,0]=2 14747 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000746330_100000033007 [0,2,0,0,0,0|0,0,0]=2 14748 B15R0.164 CC(=O)OCCCCCSCCOCC#N 62a_100000033007_200000047693 [0,2,0,0,0,0|1,0,1]=4 14749 B15R0.164 CC(=O)OCCCCCSCCOCC#N 62a_200000047693_100000033007 [0,2,0,0,0,0|1,0,1]=4 14750 B15R0.164 CC(=O)OCCCCCSCCOCCO 62a_100000033007_100011215305 [0,2,0,0,0,0|1,0,0]=3 14751 B15R0.164 CC(=O)OCCCCCSCCOCCO 62a_100011215305_100000033007 [0,2,0,0,0,0|1,0,0]=3 14752 B15R0.164 CC(=O)OCCCCNCCCCCCO 34a_100000686447_100000033659 [0,2,0,0,0,0|0,0,0]=2 14753 B15R0.164 CC(=O)OCCCCOCCCCCC#N 7a_100000073216_100009813376 [0,2,0,0,0,0|0,0,1]=3 14754 B15R0.164 CC(=O)OCCCCOCCCCCC=O 7a_100000073216_100000139337 [0,2,0,0,0,0|0,0,1]=3 14755 B15R0.164 CC(=O)OCCCCOCCCCCCBr 34a_100011215345_100000033659 [0,2,0,0,0,0|0,0,0]=2 14756 B15R0.164 CC(=O)OCCCCOCCCCCCBr 7a_100011215345_100000033659 [0,2,0,0,0,0|0,0,0]=2 14757 B15R0.164 CC(=O)OCCCCOCCCCCCCl 34a_100000766143_100000033659 [0,2,0,0,0,0|0,0,0]=2 14758 B15R0.164 CC(=O)OCCCCOCCCCCCCl 7a_100000766143_100000033659 [0,2,0,0,0,0|0,0,0]=2 14759 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000073216_100015922095 [0,2,0,0,0,0|0,0,0]=2 14760 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000732779_100000033659 [0,2,0,0,0,0|0,0,0]=2 14761 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000073216_100015922095 [0,2,0,0,0,0|0,0,0]=2 14762 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000732779_100000033659 [0,2,0,0,0,0|0,0,0]=2 14763 B15R0.164 CC(=O)OCCCCOCCCCCCN 34a_100000686447_100000033659 [0,2,0,0,0,0|0,0,0]=2 14764 B15R0.164 CC(=O)OCCCCOCCCCCCO 34a_100000073216_100000766143 [0,2,0,0,0,0|0,0,0]=2 14765 B15R0.164 CC(=O)OCCCCOCCCCCCO 7a_100000073216_100000766143 [0,2,0,0,0,0|0,0,0]=2 14766 B15R0.164 CC(=O)OCCCCSCCCCCC#N 62a_100000033659_100009813376 [0,2,0,0,0,0|0,0,1]=3 14767 B15R0.164 CC(=O)OCCCCSCCCCCC#N 62a_100009813376_100000033659 [0,2,0,0,0,0|0,0,1]=3 14768 B15R0.164 CC(=O)OCCCCSCCCCCC=O 62a_100000033659_100000139337 [0,2,0,0,0,0|0,0,1]=3 14769 B15R0.164 CC(=O)OCCCCSCCCCCC=O 62a_100000139337_100000033659 [0,2,0,0,0,0|0,0,1]=3 14770 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100000033659_100015922095 [0,2,0,0,0,0|0,0,0]=2 14771 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100015922095_100000033659 [0,2,0,0,0,0|0,0,0]=2 14772 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000033659_100000766143 [0,2,0,0,0,0|0,0,0]=2 14773 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000766143_100000033659 [0,2,0,0,0,0|0,0,0]=2 14774 B15R0.164 CC(=O)OCCCNCCCCCCCO 34a_100011996573_100000042594 [0,2,0,0,0,0|0,0,0]=2 14775 B15R0.164 CC(=O)OCCCNCCCOCCCO 34a_100011310245_100000042594 [0,2,0,0,0,0|1,0,0]=3 14776 B15R0.164 CC(=O)OCCCOCCCCCCCBr 34a_100000760002_100000042594 [0,2,0,0,0,0|0,0,0]=2 14777 B15R0.164 CC(=O)OCCCOCCCCCCCBr 7a_100000760002_100000042594 [0,2,0,0,0,0|0,0,0]=2 14778 B15R0.164 CC(=O)OCCCOCCCCCCCN 34a_100011996573_100000042594 [0,2,0,0,0,0|0,0,0]=2 14779 B15R0.164 CC(=O)OCCCOCCCOCCCN 34a_100011310245_100000042594 [0,2,0,0,0,0|1,0,0]=3 14780 B15R0.164 CC(=O)OCCCSCCCCCCC#N 62a_100000042594_100009813337 [0,2,0,0,0,0|0,0,1]=3 14781 B15R0.164 CC(=O)OCCCSCCCCCCC#N 62a_100009813337_100000042594 [0,2,0,0,0,0|0,0,1]=3 14782 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000042594_100000760002 [0,2,0,0,0,0|0,0,0]=2 14783 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000760002_100000042594 [0,2,0,0,0,0|0,0,0]=2 14784 B15R0.164 CC(=O)OCCNCCCCCCCCO 34a_102515433106_100009814007 [0,2,0,0,0,0|0,0,0]=2 14785 B15R0.164 CC(=O)OCCNCCOCCOCCO 34a_100011998139_100009814007 [0,2,0,0,0,0|2,0,0]=4 14786 B15R0.164 CC(=O)OCCOCCCCCCCCBr 34a_100009813846_100009814007 [0,2,0,0,0,0|0,0,0]=2 14787 B15R0.164 CC(=O)OCCOCCCCCCCCBr 7a_100009813846_100009814007 [0,2,0,0,0,0|0,0,0]=2 14788 B15R0.164 CC(=O)OCCOCCCCCCCCCl 34a_100000033203_100009814007 [0,2,0,0,0,0|0,0,0]=2 14789 B15R0.164 CC(=O)OCCOCCCCCCCCCl 7a_100000033203_100009814007 [0,2,0,0,0,0|0,0,0]=2 14790 B15R0.164 CC(=O)OCCOCCCCCCCCN 34a_102515433106_100009814007 [0,2,0,0,0,0|0,0,0]=2 14791 B15R0.164 CC(=O)OCCOCCCCCNCCN 34a_103619048469_100009814007 [0,2,0,0,0,0|1,0,0]=3 14792 B15R0.164 CC(=O)OCCOCCNCCCCCO 2230a_100000762737_200000083610 [0,2,0,0,0,0|1,0,0]=3 14793 B15R0.164 CC(=O)OCCOCCNCCCCCO 34a_100000762737_200000083610 [0,2,0,0,0,0|1,0,0]=3 14794 B15R0.164 CC(=O)OCCOCCNCCOCCO 2230a_100000211614_200000083610 [0,2,0,0,0,0|2,0,0]=4 14795 B15R0.164 CC(=O)OCCOCCNCCOCCO 34a_100000211614_200000083610 [0,2,0,0,0,0|2,0,0]=4 14796 B15R0.164 CC(=O)OCCOCCNCCSCCO 2230a_100011219999_200000083610 [0,2,0,0,0,0|2,0,0]=4 14797 B15R0.164 CC(=O)OCCOCCOCCCCCBr 34a_100000746331_200000083610 [0,2,0,0,0,0|1,0,0]=3 14798 B15R0.164 CC(=O)OCCOCCOCCCCCBr 7a_100000746331_200000083610 [0,2,0,0,0,0|1,0,0]=3 14799 B15R0.164 CC(=O)OCCOCCOCCCCCCl 34a_100000746330_200000083610 [0,2,0,0,0,0|1,0,0]=3 14800 B15R0.164 CC(=O)OCCOCCOCCCCCCl 7a_100000746330_200000083610 [0,2,0,0,0,0|1,0,0]=3 14801 B15R0.164 CC(=O)OCCOCCOCCCCCI 34a_200012148887_200000083610 [0,2,0,0,0,0|1,0,0]=3 14802 B15R0.164 CC(=O)OCCOCCOCCCCCI 7a_200012148887_200000083610 [0,2,0,0,0,0|1,0,0]=3 14803 B15R0.164 CC(=O)OCCOCCOCCCCCN 34a_100000762737_200000083610 [0,2,0,0,0,0|1,0,0]=3 14804 B15R0.164 CC(=O)OCCOCCOCCOCCBr 34a_100000692535_200000083610 [0,2,0,0,0,0|2,0,0]=4 14805 B15R0.164 CC(=O)OCCOCCOCCOCCBr 34a_100010132937_100009814007 [0,2,0,0,0,0|2,0,0]=4 14806 B15R0.164 CC(=O)OCCOCCOCCOCCBr 7a_100000692535_200000083610 [0,2,0,0,0,0|2,0,0]=4 14807 B15R0.164 CC(=O)OCCOCCOCCOCCBr 7a_100010132937_100009814007 [0,2,0,0,0,0|2,0,0]=4 14808 B15R0.164 CC(=O)OCCOCCOCCOCCCl 34a_100000032323_100009814007 [0,2,0,0,0,0|2,0,0]=4 14809 B15R0.164 CC(=O)OCCOCCOCCOCCCl 34a_100011215305_200000083610 [0,2,0,0,0,0|2,0,0]=4 14810 B15R0.164 CC(=O)OCCOCCOCCOCCCl 7a_100000032323_100009814007 [0,2,0,0,0,0|2,0,0]=4 14811 B15R0.164 CC(=O)OCCOCCOCCOCCCl 7a_100011215305_200000083610 [0,2,0,0,0,0|2,0,0]=4 14812 B15R0.164 CC(=O)OCCOCCOCCOCCF 34a_200015357709_200000083610 [0,2,0,0,0,0|2,0,0]=4 14813 B15R0.164 CC(=O)OCCOCCOCCOCCF 7a_200015357709_200000083610 [0,2,0,0,0,0|2,0,0]=4 14814 B15R0.164 CC(=O)OCCOCCOCCOCCI 34a_100012149058_200000083610 [0,2,0,0,0,0|2,0,0]=4 14815 B15R0.164 CC(=O)OCCOCCOCCOCCI 7a_100012149058_200000083610 [0,2,0,0,0,0|2,0,0]=4 14816 B15R0.164 CC(=O)OCCOCCOCCOCCN 34a_100000211614_200000083610 [0,2,0,0,0,0|2,0,0]=4 14817 B15R0.164 CC(=O)OCCOCCOCCOCCN 34a_100011998139_100009814007 [0,2,0,0,0,0|2,0,0]=4 14818 B15R0.164 CC(=O)OCCOCCSCCCCC#N 62a_100011219923_200000083610 [0,2,0,0,0,0|1,0,1]=4 14819 B15R0.164 CC(=O)OCCOCCSCCCCC#N 62a_200000083610_100000211819 [0,2,0,0,0,0|1,0,1]=4 14820 B15R0.164 CC(=O)OCCOCCSCCCCC=O 62a_100000139335_200000083610 [0,2,0,0,0,0|1,0,1]=4 14821 B15R0.164 CC(=O)OCCOCCSCCCCC=O 62a_200000083610_100000139335 [0,2,0,0,0,0|1,0,1]=4 14822 B15R0.164 CC(=O)OCCOCCSCCCCCF 62a_100000729378_200000083610 [0,2,0,0,0,0|1,0,0]=3 14823 B15R0.164 CC(=O)OCCOCCSCCCCCF 62a_200000083610_100000729378 [0,2,0,0,0,0|1,0,0]=3 14824 B15R0.164 CC(=O)OCCOCCSCCCCCO 62a_100000746330_200000083610 [0,2,0,0,0,0|1,0,0]=3 14825 B15R0.164 CC(=O)OCCOCCSCCCCCO 62a_200000083610_100000746330 [0,2,0,0,0,0|1,0,0]=3 14826 B15R0.164 CC(=O)OCCOCCSCCOCCO 62a_100011215305_200000083610 [0,2,0,0,0,0|2,0,0]=4 14827 B15R0.164 CC(=O)OCCOCCSCCOCCO 62a_200000083610_100011215305 [0,2,0,0,0,0|2,0,0]=4 14828 B15R0.164 CC(=O)OCCOCNCCCCCCO 34a_100000686447_100000076355 [0,2,0,0,0,0|1,0,0]=3 14829 B15R0.164 CC(=O)OCCOCOCCCCCCBr 34a_100011215345_100000076355 [0,2,0,0,0,0|1,0,0]=3 14830 B15R0.164 CC(=O)OCCOCOCCCCCCCl 34a_100000766143_100000076355 [0,2,0,0,0,0|1,0,0]=3 14831 B15R0.164 CC(=O)OCCOCOCCCCCCF 34a_100000732779_100000076355 [0,2,0,0,0,0|1,0,0]=3 14832 B15R0.164 CC(=O)OCCOCOCCCCCCN 34a_100000686447_100000076355 [0,2,0,0,0,0|1,0,0]=3 14833 B15R0.164 CC(=O)OCCOCSCCCCCC#N 62a_100000076355_100009813376 [0,2,0,0,0,0|1,0,1]=4 14834 B15R0.164 CC(=O)OCCOCSCCCCCC#N 62a_100009813376_100000076355 [0,2,0,0,0,0|1,0,1]=4 14835 B15R0.164 CC(=O)OCCOCSCCCCCC=O 62a_100000076355_100000139337 [0,2,0,0,0,0|1,0,1]=4 14836 B15R0.164 CC(=O)OCCOCSCCCCCC=O 62a_100000139337_100000076355 [0,2,0,0,0,0|1,0,1]=4 14837 B15R0.164 CC(=O)OCCOCSCCCCCCF 62a_100000076355_100015922095 [0,2,0,0,0,0|1,0,0]=3 14838 B15R0.164 CC(=O)OCCOCSCCCCCCF 62a_100015922095_100000076355 [0,2,0,0,0,0|1,0,0]=3 14839 B15R0.164 CC(=O)OCCOCSCCCCCCO 62a_100000076355_100000766143 [0,2,0,0,0,0|1,0,0]=3 14840 B15R0.164 CC(=O)OCCOCSCCCCCCO 62a_100000766143_100000076355 [0,2,0,0,0,0|1,0,0]=3 14841 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100000033203_100009814007 [0,2,0,0,0,0|0,0,0]=2 14842 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100009814007_100000033203 [0,2,0,0,0,0|0,0,0]=2 14843 B15R0.164 CC(=O)OCCSCCOCCOCCO 62a_100000032323_100009814007 [0,2,0,0,0,0|2,0,0]=4 14844 B15R0.164 CC(=O)OCCSCCOCCOCCO 62a_100009814007_100000032323 [0,2,0,0,0,0|2,0,0]=4 14845 B15R0.164 CC(=O)OCNCCCCCCCCCO 34a_100000078944_100009813279 [0,2,0,0,0,0|0,0,0]=2 14846 B15R0.164 CC(=O)OCNCCCOCCOCCO 34a_100011996194_100009813279 [0,2,0,0,0,0|2,0,0]=4 14847 B15R0.164 CC(=O)OCOCCCCCCCCCBr 34a_100009813782_100009813279 [0,2,0,0,0,0|0,0,0]=2 14848 B15R0.164 CC(=O)OCOCCCCCCCCCCl 34a_100009868337_100009813279 [0,2,0,0,0,0|0,0,0]=2 14849 B15R0.164 CC(=O)OCOCCCCCCCCCN 34a_100000078944_100009813279 [0,2,0,0,0,0|0,0,0]=2 14850 B15R0.164 CC(=O)OCOCCOCCOCCCN 34a_100011996194_100009813279 [0,2,0,0,0,0|2,0,0]=4 14851 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100000076356_100009813782 [0,2,0,0,0,0|0,0,0]=2 14852 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100009813782_100000076356 [0,2,0,0,0,0|0,0,0]=2 14853 B15R0.164 CC(=O)SCCCCNCCCCCCO 2230a_100000686447_200010402107 [0,2,0,0,0,0|0,1,0]=3 14854 B15R0.164 CC(=O)SCCCCNCCCCCCO 34a_100000686447_200010402107 [0,2,0,0,0,0|0,1,0]=3 14855 B15R0.164 CC(=O)SCCCCOCCCCCCBr 34a_100011215345_200010402107 [0,2,0,0,0,0|0,1,0]=3 14856 B15R0.164 CC(=O)SCCCCOCCCCCCBr 7a_100011215345_200010402107 [0,2,0,0,0,0|0,1,0]=3 14857 B15R0.164 CC(=O)SCCCCOCCCCCCCl 34a_100000766143_200010402107 [0,2,0,0,0,0|0,1,0]=3 14858 B15R0.164 CC(=O)SCCCCOCCCCCCCl 7a_100000766143_200010402107 [0,2,0,0,0,0|0,1,0]=3 14859 B15R0.164 CC(=O)SCCCCOCCCCCCF 34a_100000732779_200010402107 [0,2,0,0,0,0|0,1,0]=3 14860 B15R0.164 CC(=O)SCCCCOCCCCCCF 7a_100000732779_200010402107 [0,2,0,0,0,0|0,1,0]=3 14861 B15R0.164 CC(=O)SCCCCOCCCCCCN 34a_100000686447_200010402107 [0,2,0,0,0,0|0,1,0]=3 14862 B15R0.164 CC(=O)SCCCCSCCCCCC#N 62a_100009813376_200010402107 [0,2,0,0,0,0|0,1,1]=4 14863 B15R0.164 CC(=O)SCCCCSCCCCCC#N 62a_200010402107_100009813376 [0,2,0,0,0,0|0,1,1]=4 14864 B15R0.164 CC(=O)SCCCCSCCCCCC=O 62a_100000139337_200010402107 [0,2,0,0,0,0|0,1,1]=4 14865 B15R0.164 CC(=O)SCCCCSCCCCCC=O 62a_200010402107_100000139337 [0,2,0,0,0,0|0,1,1]=4 14866 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_100015922095_200010402107 [0,2,0,0,0,0|0,1,0]=3 14867 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_200010402107_100015922095 [0,2,0,0,0,0|0,1,0]=3 14868 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_100000766143_200010402107 [0,2,0,0,0,0|0,1,0]=3 14869 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_200010402107_100000766143 [0,2,0,0,0,0|0,1,0]=3 14870 B15R0.164 CC(=O)SCCCNCCCCCCCO 2230a_100011996573_100000038929 [0,2,0,0,0,0|0,1,0]=3 14871 B15R0.164 CC(=O)SCCCNCCCCCCCO 34a_100011996573_100000038929 [0,2,0,0,0,0|0,1,0]=3 14872 B15R0.164 CC(=O)SCCCNCCCOCCCO 2230a_100011310245_100000038929 [0,2,0,0,0,0|1,1,0]=4 14873 B15R0.164 CC(=O)SCCCNCCCOCCCO 34a_100011310245_100000038929 [0,2,0,0,0,0|1,1,0]=4 14874 B15R0.164 CC(=O)SCCCOCCCCCCCBr 34a_100000760002_100000038929 [0,2,0,0,0,0|0,1,0]=3 14875 B15R0.164 CC(=O)SCCCOCCCCCCCBr 7a_100000760002_100000038929 [0,2,0,0,0,0|0,1,0]=3 14876 B15R0.164 CC(=O)SCCCOCCCCCCCN 34a_100011996573_100000038929 [0,2,0,0,0,0|0,1,0]=3 14877 B15R0.164 CC(=O)SCCCOCCCOCCCN 34a_100011310245_100000038929 [0,2,0,0,0,0|1,1,0]=4 14878 B15R0.164 CC(=O)SCCCSCCCCCCC#N 62a_100000038929_100009813337 [0,2,0,0,0,0|0,1,1]=4 14879 B15R0.164 CC(=O)SCCCSCCCCCCC#N 62a_100009813337_100000038929 [0,2,0,0,0,0|0,1,1]=4 14880 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000038929_100000760002 [0,2,0,0,0,0|0,1,0]=3 14881 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000760002_100000038929 [0,2,0,0,0,0|0,1,0]=3 14882 B15R0.164 CC(=S)OCCCNCCCCCCCO 2230a_100011996573_200135323944 [0,2,0,0,0,0|0,1,0]=3 14883 B15R0.164 CC(=S)OCCCNCCCCCCCO 34a_100011996573_200135323944 [0,2,0,0,0,0|0,1,0]=3 14884 B15R0.164 CC(=S)OCCCNCCCOCCCO 2230a_100011310245_200135323944 [0,2,0,0,0,0|1,1,0]=4 14885 B15R0.164 CC(=S)OCCCNCCCOCCCO 34a_100011310245_200135323944 [0,2,0,0,0,0|1,1,0]=4 14886 B15R0.164 CC(=S)OCCCOCCCCCCCBr 34a_100000760002_200135323944 [0,2,0,0,0,0|0,1,0]=3 14887 B15R0.164 CC(=S)OCCCOCCCCCCCBr 7a_100000760002_200135323944 [0,2,0,0,0,0|0,1,0]=3 14888 B15R0.164 CC(=S)OCCCOCCCCCCCN 34a_100011996573_200135323944 [0,2,0,0,0,0|0,1,0]=3 14889 B15R0.164 CC(=S)OCCCOCCCOCCCN 34a_100011310245_200135323944 [0,2,0,0,0,0|1,1,0]=4 14890 B15R0.164 CC(=S)OCCCSCCCCCCC#N 62a_100009813337_200135323944 [0,2,0,0,0,0|0,1,1]=4 14891 B15R0.164 CC(=S)OCCCSCCCCCCC#N 62a_200135323944_100009813337 [0,2,0,0,0,0|0,1,1]=4 14892 B15R0.164 CC(=S)OCCCSCCCCCCCO 62a_100000760002_200135323944 [0,2,0,0,0,0|0,1,0]=3 14893 B15R0.164 CC(=S)OCCCSCCCCCCCO 62a_200135323944_100000760002 [0,2,0,0,0,0|0,1,0]=3 14894 B15R0.164 CC(Br)COCCCCCCCCCCO 34a_100012180447_100009813290 [0,2,0,0,0,0|1,0,1]=4 14895 B15R0.164 CC(C)COCCCCCCCCCCBr 34a_100009813290_100000210624 [0,2,0,0,0,0|1,0,1]=4 14896 B15R0.164 CC(C)COCCCCCCCCCCBr 7a_100009813290_100000210760 [0,2,0,0,0,0|1,0,1]=4 14897 B15R0.164 CC(C)COCCCCCCCCCCCl 34a_200000033068_100000210624 [0,2,0,0,0,0|1,0,1]=4 14898 B15R0.164 CC(C)COCCCCCCCCCCCl 7a_200000033068_100000210760 [0,2,0,0,0,0|1,0,1]=4 14899 B15R0.164 CC(C)COCCCCCCCCCCN 34a_100000066964_100000210624 [0,2,0,0,0,0|1,0,1]=4 14900 B15R0.164 CC(C)COCCCCCCCCCCO 34a_100000210257_100009813290 [0,2,0,0,0,0|1,0,1]=4 14901 B15R0.164 CC(C)OCCCCCCCCCCCBr 34a_100009812471_100000210206 [0,2,0,0,0,0|1,0,1]=4 14902 B15R0.164 CC(C)OCCCCCCCCCCCBr 7a_100009812471_100000210206 [0,2,0,0,0,0|1,0,1]=4 14903 B15R0.164 CC(C)OCCCCCCCCCCCO 34a_100000212225_100009812471 [0,2,0,0,0,0|1,0,1]=4 14904 B15R0.164 CC(C)OCCCNCCCCCCCO 2230a_100000737246_100000760002 [0,2,0,0,0,0|1,0,1]=4 14905 B15R0.164 CC(C)OCCCNCCCCCCCO 34a_100000737246_100000760002 [0,2,0,0,0,0|1,0,1]=4 14906 B15R0.164 CC(C)OCCNCCCCCCCCO 2230a_100000701111_100000033203 [0,2,0,0,0,0|1,0,1]=4 14907 B15R0.164 CC(C)OCCNCCCCCCCCO 2230a_102515433106_100000211751 [0,2,0,0,0,0|1,0,1]=4 14908 B15R0.164 CC(C)OCCNCCCCCCCCO 34a_100000701111_100000033203 [0,2,0,0,0,0|1,0,1]=4 14909 B15R0.164 CC(C)OCCNCCCCCCCCO 34a_102515433106_100000211751 [0,2,0,0,0,0|1,0,1]=4 14910 B15R0.164 CC(C)OCCOCCCCCCCCBr 34a_100009813846_100000211751 [0,2,0,0,0,0|1,0,1]=4 14911 B15R0.164 CC(C)OCCOCCCCCCCCBr 7a_100009813846_100000211751 [0,2,0,0,0,0|1,0,1]=4 14912 B15R0.164 CC(C)OCCOCCCCCCCCCl 34a_100000033203_100000211751 [0,2,0,0,0,0|1,0,1]=4 14913 B15R0.164 CC(C)OCCOCCCCCCCCCl 7a_100000033203_100000211751 [0,2,0,0,0,0|1,0,1]=4 14914 B15R0.164 CC(C)OCCOCCCCCCCCN 34a_102515433106_100000211751 [0,2,0,0,0,0|1,0,1]=4 14915 B15R0.164 CC(C)OCCOCCCCCCCCO 34a_100000211219_100000033203 [0,2,0,0,0,0|1,0,1]=4 14916 B15R0.164 CC(C)OCCOCCCCCCCCO 7a_100000211219_100000033203 [0,2,0,0,0,0|1,0,1]=4 14917 B15R0.164 CC(C)OCCSCCCCCCCCO 62a_100000033203_100000211751 [0,2,0,0,0,0|1,0,1]=4 14918 B15R0.164 CC(C)OCCSCCCCCCCCO 62a_100000211751_100000033203 [0,2,0,0,0,0|1,0,1]=4 14919 B15R0.164 CC(C)OCNCCCCCCCCCO 2230a_100000078944_100000709892 [0,2,0,0,0,0|1,0,1]=4 14920 B15R0.164 CC(C)OCNCCCCCCCCCO 34a_100000078944_100000709892 [0,2,0,0,0,0|1,0,1]=4 14921 B15R0.164 CC(C)OCOCCCCCCCCCBr 34a_100009813782_100000709892 [0,2,0,0,0,0|1,0,1]=4 14922 B15R0.164 CC(C)OCOCCCCCCCCCCl 34a_100009868337_100000709892 [0,2,0,0,0,0|1,0,1]=4 14923 B15R0.164 CC(C)OCOCCCCCCCCCN 34a_100000078944_100000709892 [0,2,0,0,0,0|1,0,1]=4 14924 B15R0.164 CC(C)OCSCCCCCCCCCO 62a_100000709892_100009813782 [0,2,0,0,0,0|1,0,1]=4 14925 B15R0.164 CC(C)OCSCCCCCCCCCO 62a_100009813782_100000709892 [0,2,0,0,0,0|1,0,1]=4 14926 B15R0.164 CC(F)COCCCCCCCCCCO 34a_100015925927_100009813290 [0,2,0,0,0,0|1,0,1]=4 14927 B15R0.164 CC(O)COCCCCCCCCCCBr 34a_100009813290_100011218427 [0,2,0,0,0,0|0,0,2]=4 14928 B15R0.164 CC(O)COCCCCCCCCCCBr 7a_100009813290_100011218427 [0,2,0,0,0,0|0,0,2]=4 14929 B15R0.164 CC(O)COCCCCCCCCCCCl 34a_200000033068_100011218427 [0,2,0,0,0,0|0,0,2]=4 14930 B15R0.164 CC(O)COCCCCCCCCCCCl 7a_200000033068_100011218427 [0,2,0,0,0,0|0,0,2]=4 14931 B15R0.164 CC(O)COCCCCCCCCCCN 34a_100000066964_100011218427 [0,2,0,0,0,0|0,0,2]=4 14932 B15R0.164 CC/C=C/CCCOCCCCOC(=O)C 34a_100016287902_100000033659 [0,2,0,0,0,0|0,0,1]=3 14933 B15R0.164 CC/C=C/CCCOCCCCOC(=O)C 7a_100016287902_100000033659 [0,2,0,0,0,0|0,0,1]=3 14934 B15R0.164 CC/C=C/CCCOCCCCSC(=O)C 34a_100016287902_200010402107 [0,2,0,0,0,0|0,1,1]=4 14935 B15R0.164 CC/C=C/CCCOCCCCSC(=O)C 7a_100016287902_200010402107 [0,2,0,0,0,0|0,1,1]=4 14936 B15R0.164 CC/C=C/CCCOCOCCOC(=O)C 34a_100016287902_100000076355 [0,2,0,0,0,0|0,0,2]=4 14937 B15R0.164 CC/C=C\CCCCCNCCNC(=O)C 269862a_100000209853_100016288537 [0,2,0,0,0,0|1,0,1]=4 14938 B15R0.164 CC/C=C\CCCCCNCCSC(=O)C 269862a_100020647217_100016288537 [0,2,0,0,0,0|0,1,1]=4 14939 B15R0.164 CC/C=C\CCCCCOCCCC(=O)C 34a_100016268722_100000685027 [0,2,0,0,0,0|1,0,1]=4 14940 B15R0.164 CC/C=C\CCCCCOCCCC(=O)C 7a_100016268722_100011215641 [0,2,0,0,0,0|1,0,1]=4 14941 B15R0.164 CC/C=C\CCCCCOCCNC(=O)C 7a_100016268722_100000189650 [0,2,0,0,0,0|1,0,1]=4 14942 B15R0.164 CC/C=C\CCCCCOCCOC(=O)C 34a_100016268722_100009814007 [0,2,0,0,0,0|0,0,1]=3 14943 B15R0.164 CC/C=C\CCCCCOCCOC(=O)C 7a_100016268722_100009814007 [0,2,0,0,0,0|0,0,1]=3 14944 B15R0.164 CC/C=C\CCCCCOCCOC(=O)N 34a_100016268722_200011214921 [0,2,0,0,0,0|1,0,1]=4 14945 B15R0.164 CC/C=C\CCCCCOCCOC(=O)N 7a_100016268722_200011214921 [0,2,0,0,0,0|1,0,1]=4 14946 B15R0.164 CC/C=C\CCCCOCCCCC(=O)C 34a_100016287862_100009817362 [0,2,0,0,0,0|1,0,1]=4 14947 B15R0.164 CC/C=C\CCCCOCCCCC(=O)C 7a_100016287862_100000735457 [0,2,0,0,0,0|1,0,1]=4 14948 B15R0.164 CC/C=C\CCCCOCCCOC(=O)C 34a_100016287862_100000042594 [0,2,0,0,0,0|0,0,1]=3 14949 B15R0.164 CC/C=C\CCCCOCCCOC(=O)C 7a_100016287862_100000042594 [0,2,0,0,0,0|0,0,1]=3 14950 B15R0.164 CC/C=C\CCCCOCCCOC(=S)C 34a_100016287862_200135323944 [0,2,0,0,0,0|0,1,1]=4 14951 B15R0.164 CC/C=C\CCCCOCCCOC(=S)C 7a_100016287862_200135323944 [0,2,0,0,0,0|0,1,1]=4 14952 B15R0.164 CC/C=C\CCCCOCCCSC(=O)C 34a_100016287862_100000038929 [0,2,0,0,0,0|0,1,1]=4 14953 B15R0.164 CC/C=C\CCCCOCCCSC(=O)C 7a_100016287862_100000038929 [0,2,0,0,0,0|0,1,1]=4 14954 B15R0.164 CC/C=C\CCNCCCCCNC(=O)C 2230a_200012022750_100015370543 [0,2,0,0,0,0|1,0,1]=4 14955 B15R0.164 CC/C=C\CCNCCCCCNC(=O)C 34a_200012022750_100015370543 [0,2,0,0,0,0|1,0,1]=4 14956 B15R0.164 CC/C=C\CCOCCCCCOC(=O)C 34a_100016288707_100000033007 [0,2,0,0,0,0|0,0,1]=3 14957 B15R0.164 CC/C=C\CCOCCCCCOC(=O)C 7a_100016288707_100000033007 [0,2,0,0,0,0|0,0,1]=3 14958 B15R0.164 CC/C=C\CCOCCOCCOC(=O)C 34a_100016288707_200000083610 [0,2,0,0,0,0|0,0,2]=4 14959 B15R0.164 CC/C=C\CCOCCOCCOC(=O)C 7a_100016288707_200000083610 [0,2,0,0,0,0|0,0,2]=4 14960 B15R0.164 CC/C=C\CCSCCCCCOC(=O)C 62a_100000033007_100015370543 [0,2,0,0,0,0|0,0,1]=3 14961 B15R0.164 CC/C=C\CCSCCCCCOC(=O)C 62a_100015370543_100000033007 [0,2,0,0,0,0|0,0,1]=3 14962 B15R0.164 CC/C=C\CCSCCOCCOC(=O)C 62a_100015370543_200000083610 [0,2,0,0,0,0|0,0,2]=4 14963 B15R0.164 CC/C=C\CCSCCOCCOC(=O)C 62a_200000083610_100015370543 [0,2,0,0,0,0|0,0,2]=4 14964 B15R0.164 CC/C=C\CNCCCCCCNC(=O)C 2230a_200011996284_100103147603 [0,2,0,0,0,0|1,0,1]=4 14965 B15R0.164 CC/C=C\CNCCCCCCNC(=O)C 34a_200011996284_100103147603 [0,2,0,0,0,0|1,0,1]=4 14966 B15R0.164 CC=C=CCCOCCCCCOC(=O)C 34a_100011020354_100000033007 [0,2,0,0,0,0|0,0,2]=4 14967 B15R0.164 CC=CCCCOCCCCCOC(=O)C 34a_100020645299_100000033007 [0,2,0,0,0,0|0,0,1]=3 14968 B15R0.164 CC=CCCCOCCOCCOC(=O)C 34a_100020645299_200000083610 [0,2,0,0,0,0|0,0,2]=4 14969 B15R0.164 CCC#CCCCCCCCCOC(C)C 34a_200000031908_100000210206 [0,2,0,0,0,0|1,0,1]=4 14970 B15R0.164 CCC#CCCCCCCCCOC(C)C 7a_200000031908_100000210206 [0,2,0,0,0,0|1,0,1]=4 14971 B15R0.164 CCC#CCCCCCCOCCC(=O)C 34a_100000759926_200000036426 [0,2,0,0,0,0|0,0,2]=4 14972 B15R0.164 CCC#CCCCCCCOCCC(=O)C 7a_100000759926_200000036426 [0,2,0,0,0,0|0,0,2]=4 14973 B15R0.164 CCC#CCCCCCCSCCC(=O)C 62a_100000053229_200000036426 [0,2,0,0,0,0|1,0,1]=4 14974 B15R0.164 CCC#CCCCCCCSCCC(=O)C 62a_200000036426_100000053229 [0,2,0,0,0,0|1,0,1]=4 14975 B15R0.164 CCC#CCCCCCCSCOC(=O)C 62a_100000076356_200000036426 [0,2,0,0,0,0|0,0,1]=3 14976 B15R0.164 CCC#CCCCCCCSCOC(=O)C 62a_200000036426_100000076356 [0,2,0,0,0,0|0,0,1]=3 14977 B15R0.164 CCC#CCCOCCCCCOC(=O)C 34a_100000036655_100000033007 [0,2,0,0,0,0|0,0,1]=3 14978 B15R0.164 CCC#CCCOCCCCCOC(=O)C 7a_100000036655_100000033007 [0,2,0,0,0,0|0,0,1]=3 14979 B15R0.164 CCC#CCCOCCOCCOC(=O)C 34a_100000036655_200000083610 [0,2,0,0,0,0|0,0,2]=4 14980 B15R0.164 CCC#CCCOCCOCCOC(=O)C 7a_100000036655_200000083610 [0,2,0,0,0,0|0,0,2]=4 14981 B15R0.164 CCC#CCNCCCCCCNC(=O)C 2230a_200011996284_100009813939 [0,2,0,0,0,0|1,0,1]=4 14982 B15R0.164 CCC#CCNCCCCCCNC(=O)C 34a_200011996284_100009813939 [0,2,0,0,0,0|1,0,1]=4 14983 B15R0.164 CCC/C=C/COCCCCCOC(=O)C 34a_100016278788_100000033007 [0,2,0,0,0,0|0,0,1]=3 14984 B15R0.164 CCC/C=C/COCCCCCOC(=O)C 7a_100016278788_100000033007 [0,2,0,0,0,0|0,0,1]=3 14985 B15R0.164 CCC/C=C/COCCOCCOC(=O)C 34a_100016278788_200000083610 [0,2,0,0,0,0|0,0,2]=4 14986 B15R0.164 CCC/C=C/COCCOCCOC(=O)C 7a_100016278788_200000083610 [0,2,0,0,0,0|0,0,2]=4 14987 B15R0.164 CCCC#CCCOCCCCOC(=O)C 34a_100000042726_100000033659 [0,2,0,0,0,0|0,0,1]=3 14988 B15R0.164 CCCC#CCCOCCCCOC(=O)C 7a_100000042726_100000033659 [0,2,0,0,0,0|0,0,1]=3 14989 B15R0.164 CCCC#CCCOCCCCSC(=O)C 34a_100000042726_200010402107 [0,2,0,0,0,0|0,1,1]=4 14990 B15R0.164 CCCC#CCCOCCCCSC(=O)C 7a_100000042726_200010402107 [0,2,0,0,0,0|0,1,1]=4 14991 B15R0.164 CCCC#CCCOCOCCOC(=O)C 34a_100000042726_100000076355 [0,2,0,0,0,0|0,0,2]=4 14992 B15R0.164 CCCC#CCOCCCCCOC(=O)C 34a_100000034806_100000033007 [0,2,0,0,0,0|0,0,1]=3 14993 B15R0.164 CCCC#CCOCCCCCOC(=O)C 7a_100000034806_100000033007 [0,2,0,0,0,0|0,0,1]=3 14994 B15R0.164 CCCC#CCOCCOCCOC(=O)C 34a_100000034806_200000083610 [0,2,0,0,0,0|0,0,2]=4 14995 B15R0.164 CCCC#CCOCCOCCOC(=O)C 7a_100000034806_200000083610 [0,2,0,0,0,0|0,0,2]=4 14996 B15R0.164 CCCC/C=C/CCCCOCCC(=O)C 7a_200020645093_100000053229 [0,2,0,0,0,0|0,0,2]=4 14997 B15R0.164 CCCC/C=C/CCCCOCOC(=O)C 34a_200020645093_100009813279 [0,2,0,0,0,0|0,0,1]=3 14998 B15R0.164 CCCC/C=C/COCCCCOC(=O)C 34a_200016272032_100000033659 [0,2,0,0,0,0|0,0,1]=3 14999 B15R0.164 CCCC/C=C/COCCCCOC(=O)C 7a_200016272032_100000033659 [0,2,0,0,0,0|0,0,1]=3 15000 B15R0.164 CCCC/C=C/COCCCCSC(=O)C 34a_200016272032_200010402107 [0,2,0,0,0,0|0,1,1]=4 15001 B15R0.164 CCCC/C=C/COCCCCSC(=O)C 7a_200016272032_200010402107 [0,2,0,0,0,0|0,1,1]=4 15002 B15R0.164 CCCC/C=C/COCOCCOC(=O)C 34a_200016272032_100000076355 [0,2,0,0,0,0|0,0,2]=4 15003 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 34a_200016286491_100009817362 [0,2,0,0,0,0|1,0,1]=4 15004 B15R0.164 CCCC/C=C\CCOCCCCC(=O)C 7a_200016286491_100000735457 [0,2,0,0,0,0|1,0,1]=4 15005 B15R0.164 CCCC/C=C\CCOCCCOC(=O)C 34a_200016286491_100000042594 [0,2,0,0,0,0|0,0,1]=3 15006 B15R0.164 CCCC/C=C\CCOCCCOC(=O)C 7a_200016286491_100000042594 [0,2,0,0,0,0|0,0,1]=3 15007 B15R0.164 CCCC/C=C\CCOCCCOC(=S)C 34a_200016286491_200135323944 [0,2,0,0,0,0|0,1,1]=4 15008 B15R0.164 CCCC/C=C\CCOCCCOC(=S)C 7a_200016286491_200135323944 [0,2,0,0,0,0|0,1,1]=4 15009 B15R0.164 CCCC/C=C\CCOCCCSC(=O)C 34a_200016286491_100000038929 [0,2,0,0,0,0|0,1,1]=4 15010 B15R0.164 CCCC/C=C\CCOCCCSC(=O)C 7a_200016286491_100000038929 [0,2,0,0,0,0|0,1,1]=4 15011 B15R0.164 CCCCC#CCCCCCCOC(C)C 34a_100000212225_200000043322 [0,2,0,0,0,0|1,0,1]=4 15012 B15R0.164 CCCCC#CCCCCOCCC(=O)C 7a_200000066234_100000053229 [0,2,0,0,0,0|0,0,2]=4 15013 B15R0.164 CCCCC#CCCCCOCOC(=O)C 34a_200000066234_100009813279 [0,2,0,0,0,0|0,0,1]=3 15014 B15R0.164 CCCCC#CCCCNCCNC(=O)C 2230a_100000209853_200000047210 [0,2,0,0,0,0|1,0,1]=4 15015 B15R0.164 CCCCC#CCCCOCCCC(=O)C 34a_100000759063_200000047210 [0,2,0,0,0,0|1,0,1]=4 15016 B15R0.164 CCCCC#CCCCOCCCC(=O)C 7a_100000759063_200000047210 [0,2,0,0,0,0|1,0,1]=4 15017 B15R0.164 CCCCC#CCCCOCCNC(=O)C 34a_100000158858_200000047210 [0,2,0,0,0,0|1,0,1]=4 15018 B15R0.164 CCCCC#CCCCOCCOC(=O)N 7a_100000766696_200000047210 [0,2,0,0,0,0|1,0,1]=4 15019 B15R0.164 CCCCC#CCCCSCCCC(=O)C 62a_100011215641_200000047210 [0,2,0,0,0,0|1,0,1]=4 15020 B15R0.164 CCCCC#CCCCSCCCC(=O)C 62a_200000047210_100011215641 [0,2,0,0,0,0|1,0,1]=4 15021 B15R0.164 CCCCC#CCCCSCCNC(=O)C 62a_100000189650_200000047210 [0,2,0,0,0,0|1,0,1]=4 15022 B15R0.164 CCCCC#CCCCSCCNC(=O)C 62a_200000047210_100000189650 [0,2,0,0,0,0|1,0,1]=4 15023 B15R0.164 CCCCC#CCCCSCCOC(=O)C 62a_100009814007_200000047210 [0,2,0,0,0,0|0,0,1]=3 15024 B15R0.164 CCCCC#CCCCSCCOC(=O)C 62a_200000047210_100009814007 [0,2,0,0,0,0|0,0,1]=3 15025 B15R0.164 CCCCC#CCCCSCCOC(=O)N 62a_200000047210_200011214921 [0,2,0,0,0,0|1,0,1]=4 15026 B15R0.164 CCCCC#CCCCSCCOC(=O)N 62a_200011214921_200000047210 [0,2,0,0,0,0|1,0,1]=4 15027 B15R0.164 CCCCC#CCCOCCCCC(=O)C 34a_100000037610_100009817362 [0,2,0,0,0,0|1,0,1]=4 15028 B15R0.164 CCCCC#CCCOCCCCC(=O)C 7a_100000037610_100000735457 [0,2,0,0,0,0|1,0,1]=4 15029 B15R0.164 CCCCC#CCCOCCCOC(=O)C 34a_100000037610_100000042594 [0,2,0,0,0,0|0,0,1]=3 15030 B15R0.164 CCCCC#CCCOCCCOC(=O)C 7a_100000037610_100000042594 [0,2,0,0,0,0|0,0,1]=3 15031 B15R0.164 CCCCC#CCCOCCCOC(=S)C 34a_100000037610_200135323944 [0,2,0,0,0,0|0,1,1]=4 15032 B15R0.164 CCCCC#CCCOCCCOC(=S)C 7a_100000037610_200135323944 [0,2,0,0,0,0|0,1,1]=4 15033 B15R0.164 CCCCC#CCCOCCCSC(=O)C 34a_100000037610_100000038929 [0,2,0,0,0,0|0,1,1]=4 15034 B15R0.164 CCCCC#CCCOCCCSC(=O)C 7a_100000037610_100000038929 [0,2,0,0,0,0|0,1,1]=4 15035 B15R0.164 CCCCC#CCOCCCCOC(=O)C 34a_200000034558_100000033659 [0,2,0,0,0,0|0,0,1]=3 15036 B15R0.164 CCCCC#CCOCCCCOC(=O)C 7a_200000034558_100000033659 [0,2,0,0,0,0|0,0,1]=3 15037 B15R0.164 CCCCC#CCOCCCCSC(=O)C 34a_200000034558_200010402107 [0,2,0,0,0,0|0,1,1]=4 15038 B15R0.164 CCCCC#CCOCCCCSC(=O)C 7a_200000034558_200010402107 [0,2,0,0,0,0|0,1,1]=4 15039 B15R0.164 CCCCC#CCOCOCCOC(=O)C 34a_200000034558_100000076355 [0,2,0,0,0,0|0,0,2]=4 15040 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 34a_100016258190_100009817362 [0,2,0,0,0,0|1,0,1]=4 15041 B15R0.164 CCCCC/C=C/COCCCCC(=O)C 7a_100016258190_100000735457 [0,2,0,0,0,0|1,0,1]=4 15042 B15R0.164 CCCCC/C=C/COCCCOC(=O)C 34a_100016258190_100000042594 [0,2,0,0,0,0|0,0,1]=3 15043 B15R0.164 CCCCC/C=C/COCCCOC(=O)C 7a_100016258190_100000042594 [0,2,0,0,0,0|0,0,1]=3 15044 B15R0.164 CCCCC/C=C/COCCCOC(=S)C 34a_100016258190_200135323944 [0,2,0,0,0,0|0,1,1]=4 15045 B15R0.164 CCCCC/C=C/COCCCOC(=S)C 7a_100016258190_200135323944 [0,2,0,0,0,0|0,1,1]=4 15046 B15R0.164 CCCCC/C=C/COCCCSC(=O)C 34a_100016258190_100000038929 [0,2,0,0,0,0|0,1,1]=4 15047 B15R0.164 CCCCC/C=C/COCCCSC(=O)C 7a_100016258190_100000038929 [0,2,0,0,0,0|0,1,1]=4 15048 B15R0.164 CCCCC/C=C\CCCOCCC(=O)C 7a_100020655193_100000053229 [0,2,0,0,0,0|0,0,2]=4 15049 B15R0.164 CCCCC/C=C\CCCOCOC(=O)C 34a_100020655193_100009813279 [0,2,0,0,0,0|0,0,1]=3 15050 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 34a_100016277358_100000685027 [0,2,0,0,0,0|1,0,1]=4 15051 B15R0.164 CCCCC/C=C\CCOCCCC(=O)C 7a_100016277358_100011215641 [0,2,0,0,0,0|1,0,1]=4 15052 B15R0.164 CCCCC/C=C\CCOCCNC(=O)C 7a_100016277358_100000189650 [0,2,0,0,0,0|1,0,1]=4 15053 B15R0.164 CCCCC/C=C\CCOCCOC(=O)C 34a_100016277358_100009814007 [0,2,0,0,0,0|0,0,1]=3 15054 B15R0.164 CCCCC/C=C\CCOCCOC(=O)C 7a_100016277358_100009814007 [0,2,0,0,0,0|0,0,1]=3 15055 B15R0.164 CCCCC/C=C\CCOCCOC(=O)N 34a_100016277358_200011214921 [0,2,0,0,0,0|1,0,1]=4 15056 B15R0.164 CCCCC/C=C\CCOCCOC(=O)N 7a_100016277358_200011214921 [0,2,0,0,0,0|1,0,1]=4 15057 B15R0.164 CCCCCC#CCCOCCCC(=O)C 34a_200000042877_100000685027 [0,2,0,0,0,0|1,0,1]=4 15058 B15R0.164 CCCCCC#CCCOCCCC(=O)C 7a_200000042877_100011215641 [0,2,0,0,0,0|1,0,1]=4 15059 B15R0.164 CCCCCC#CCCOCCNC(=O)C 7a_200000042877_100000189650 [0,2,0,0,0,0|1,0,1]=4 15060 B15R0.164 CCCCCC#CCCOCCOC(=O)C 34a_200000042877_100009814007 [0,2,0,0,0,0|0,0,1]=3 15061 B15R0.164 CCCCCC#CCCOCCOC(=O)C 7a_200000042877_100009814007 [0,2,0,0,0,0|0,0,1]=3 15062 B15R0.164 CCCCCC#CCCOCCOC(=O)N 34a_200000042877_200011214921 [0,2,0,0,0,0|1,0,1]=4 15063 B15R0.164 CCCCCC#CCCOCCOC(=O)N 7a_200000042877_200011214921 [0,2,0,0,0,0|1,0,1]=4 15064 B15R0.164 CCCCCC#CCNCCCNC(=O)C 34a_100000736810_100009816472 [0,2,0,0,0,0|1,0,1]=4 15065 B15R0.164 CCCCCC#CCOCCCCC(=O)C 34a_200000033628_100009817362 [0,2,0,0,0,0|1,0,1]=4 15066 B15R0.164 CCCCCC#CCOCCCCC(=O)C 7a_200000033628_100000735457 [0,2,0,0,0,0|1,0,1]=4 15067 B15R0.164 CCCCCC#CCOCCCNC(=O)C 34a_100000752032_100009816472 [0,2,0,0,0,0|1,0,1]=4 15068 B15R0.164 CCCCCC#CCOCCCOC(=O)C 34a_200000033628_100000042594 [0,2,0,0,0,0|0,0,1]=3 15069 B15R0.164 CCCCCC#CCOCCCOC(=O)C 7a_200000033628_100000042594 [0,2,0,0,0,0|0,0,1]=3 15070 B15R0.164 CCCCCC#CCOCCCOC(=S)C 34a_200000033628_200135323944 [0,2,0,0,0,0|0,1,1]=4 15071 B15R0.164 CCCCCC#CCOCCCOC(=S)C 7a_200000033628_200135323944 [0,2,0,0,0,0|0,1,1]=4 15072 B15R0.164 CCCCCC#CCOCCCSC(=O)C 34a_200000033628_100000038929 [0,2,0,0,0,0|0,1,1]=4 15073 B15R0.164 CCCCCC#CCOCCCSC(=O)C 7a_200000033628_100000038929 [0,2,0,0,0,0|0,1,1]=4 15074 B15R0.164 CCCCCC#CCSCCCCC(=O)C 62a_100000735457_100009816472 [0,2,0,0,0,0|1,0,1]=4 15075 B15R0.164 CCCCCC#CCSCCCCC(=O)C 62a_100009816472_100000735457 [0,2,0,0,0,0|1,0,1]=4 15076 B15R0.164 CCCCCC#CCSCCCOC(=O)C 62a_100000042594_100009816472 [0,2,0,0,0,0|0,0,1]=3 15077 B15R0.164 CCCCCC#CCSCCCOC(=O)C 62a_100009816472_100000042594 [0,2,0,0,0,0|0,0,1]=3 15078 B15R0.164 CCCCCC#CCSCCCOC(=S)C 62a_100009816472_200135323944 [0,2,0,0,0,0|0,1,1]=4 15079 B15R0.164 CCCCCC#CCSCCCOC(=S)C 62a_200135323944_100009816472 [0,2,0,0,0,0|0,1,1]=4 15080 B15R0.164 CCCCCC#CCSCCCSC(=O)C 62a_100000038929_100009816472 [0,2,0,0,0,0|0,1,1]=4 15081 B15R0.164 CCCCCC#CCSCCCSC(=O)C 62a_100009816472_100000038929 [0,2,0,0,0,0|0,1,1]=4 15082 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 34a_200016276170_100000685027 [0,2,0,0,0,0|1,0,1]=4 15083 B15R0.164 CCCCCC/C=C/COCCCC(=O)C 7a_200016276170_100011215641 [0,2,0,0,0,0|1,0,1]=4 15084 B15R0.164 CCCCCC/C=C/COCCNC(=O)C 7a_200016276170_100000189650 [0,2,0,0,0,0|1,0,1]=4 15085 B15R0.164 CCCCCC/C=C/COCCOC(=O)C 34a_200016276170_100009814007 [0,2,0,0,0,0|0,0,1]=3 15086 B15R0.164 CCCCCC/C=C/COCCOC(=O)C 7a_200016276170_100009814007 [0,2,0,0,0,0|0,0,1]=3 15087 B15R0.164 CCCCCC/C=C/COCCOC(=O)N 34a_200016276170_200011214921 [0,2,0,0,0,0|1,0,1]=4 15088 B15R0.164 CCCCCC/C=C/COCCOC(=O)N 7a_200016276170_200011214921 [0,2,0,0,0,0|1,0,1]=4 15089 B15R0.164 CCCCCCC#CCCOCCC(=O)C 7a_200000033163_100000053229 [0,2,0,0,0,0|0,0,2]=4 15090 B15R0.164 CCCCCCC#CCCOCOC(=O)C 34a_200000033163_100009813279 [0,2,0,0,0,0|0,0,1]=3 15091 B15R0.164 CCCCCCC#CCOCCCC(=O)C 34a_200000037284_100000685027 [0,2,0,0,0,0|1,0,1]=4 15092 B15R0.164 CCCCCCC#CCOCCCC(=O)C 7a_200000037284_100011215641 [0,2,0,0,0,0|1,0,1]=4 15093 B15R0.164 CCCCCCC#CCOCCNC(=O)C 7a_200000037284_100000189650 [0,2,0,0,0,0|1,0,1]=4 15094 B15R0.164 CCCCCCC#CCOCCOC(=O)C 34a_200000037284_100009814007 [0,2,0,0,0,0|0,0,1]=3 15095 B15R0.164 CCCCCCC#CCOCCOC(=O)C 7a_200000037284_100009814007 [0,2,0,0,0,0|0,0,1]=3 15096 B15R0.164 CCCCCCC#CCOCCOC(=O)N 34a_200000037284_200011214921 [0,2,0,0,0,0|1,0,1]=4 15097 B15R0.164 CCCCCCC#CCOCCOC(=O)N 7a_200000037284_200011214921 [0,2,0,0,0,0|1,0,1]=4 15098 B15R0.164 CCCCCCCC#CCOCCC(=O)C 7a_200000061759_100000053229 [0,2,0,0,0,0|0,0,2]=4 15099 B15R0.164 CCCCCCCC#CCOCOC(=O)C 34a_200000061759_100009813279 [0,2,0,0,0,0|0,0,1]=3 15100 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 34a_200020667288_100000187820 [0,2,0,0,0,0|1,0,1]=4 15101 B15R0.164 CCCCCCCC/C=C/COCC(=O)N 7a_200020667288_100000187820 [0,2,0,0,0,0|1,0,1]=4 15102 B15R0.164 CCCCCCCC/C=C/COCC(=O)[O-] 34a_200020667288_100020667443 [0,2,0,0,0,0|1,0,1]=4 15103 B15R0.164 CCCCCCCCC/C=C/COC(C)C 34a_100015232335_100000210206 [0,2,0,0,0,0|1,0,1]=4 15104 B15R0.164 CCCCCCCCC/C=C/COC(C)C 7a_100015232335_100000210206 [0,2,0,0,0,0|1,0,1]=4 15105 B15R0.164 CCCCCCCCCCC=NNC(=O)C 4a_100000189765_100011218819 [0,2,0,0,0,0|1,0,0]=3 15106 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000070787_100000210684 [0,2,0,0,0,0|1,0,0]=3 15107 B15R0.164 CCCCCCCCCCCCCC(=O)C 1458a_100000756256_200000210301 [0,2,0,0,0,0|1,0,0]=3 15108 B15R0.164 CCCCCCCCCCCCCC(=O)[13CH3] 1458a_100000756256_200025704644 [0,2,0,0,0,0|1,0,0]=3 15109 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [0,2,0,0,0,0|1,0,0]=3 15110 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [0,2,0,0,0,0|1,0,0]=3 15111 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [0,2,0,0,0,0|1,0,0]=3 15112 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [0,2,0,0,0,0|1,0,0]=3 15113 B15R0.164 CCCCCCCCCCCCOC(C)C 34a_100000210810_100000210206 [0,2,0,0,0,0|1,0,1]=4 15114 B15R0.164 CCCCCCCCCCCCOC(C)C 34a_100000212225_100000759014 [0,2,0,0,0,0|1,0,1]=4 15115 B15R0.164 CCCCCCCCCCCCOC(C)C 7a_100000210810_100000210206 [0,2,0,0,0,0|1,0,1]=4 15116 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [0,2,0,0,0,0|2,0,0]=4 15117 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [0,2,0,0,0,0|2,0,0]=4 15118 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [0,2,0,0,0,0|2,0,0]=4 15119 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [0,2,0,0,0,0|2,0,0]=4 15120 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [0,2,0,0,0,0|2,0,0]=4 15121 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [0,2,0,0,0,0|0,0,0]=2 15122 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [0,2,0,0,0,0|1,0,0]=3 15123 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [0,2,0,0,0,0|1,0,0]=3 15124 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [0,2,0,0,0,0|1,0,0]=3 15125 B15R0.164 CCCCCCCCCCCOCC(C)Br 34a_100012180447_100011215454 [0,2,0,0,0,0|1,0,1]=4 15126 B15R0.164 CCCCCCCCCCCOCC(C)C 34a_100000210257_100011215454 [0,2,0,0,0,0|1,0,1]=4 15127 B15R0.164 CCCCCCCCCCCOCC(C)C 34a_100000210809_100000210624 [0,2,0,0,0,0|1,0,1]=4 15128 B15R0.164 CCCCCCCCCCCOCC(C)C 7a_100000210809_100000210760 [0,2,0,0,0,0|1,0,1]=4 15129 B15R0.164 CCCCCCCCCCCOCC(C)F 34a_100015925927_100011215454 [0,2,0,0,0,0|1,0,1]=4 15130 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [0,2,0,0,0,0|0,0,2]=4 15131 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [0,2,0,0,0,0|0,0,2]=4 15132 B15R0.164 CCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215454 [0,2,0,0,0,0|1,0,1]=4 15133 B15R0.164 CCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011215454 [0,2,0,0,0,0|1,0,1]=4 15134 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [0,2,0,0,0,0|0,0,2]=4 15135 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [0,2,0,0,0,0|0,0,2]=4 15136 B15R0.164 CCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210809_100000761209 [0,2,0,0,0,0|2,0,0]=4 15137 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [0,2,0,0,0,0|1,1,0]=4 15138 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [0,2,0,0,0,0|1,1,0]=4 15139 B15R0.164 CCCCCCCCCCNCC=C(C)C 2230a_100000684558_100000761012 [0,2,0,0,0,0|2,0,0]=4 15140 B15R0.164 CCCCCCCCCCNCC=C(C)C 34a_100000684558_100000761012 [0,2,0,0,0,0|2,0,0]=4 15141 B15R0.164 CCCCCCCCCCNCC=C(C)C 34a_100000718196_100000210320 [0,2,0,0,0,0|2,0,0]=4 15142 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [0,2,0,0,0,0|2,0,0]=4 15143 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [0,2,0,0,0,0|2,0,0]=4 15144 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [0,2,0,0,0,0|0,0,0]=2 15145 B15R0.164 CCCCCCCCCCNCOC(C)C 2230a_100000684558_100000709892 [0,2,0,0,0,0|1,0,1]=4 15146 B15R0.164 CCCCCCCCCCNCOC(C)C 34a_100000684558_100000709892 [0,2,0,0,0,0|1,0,1]=4 15147 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [0,2,0,0,0,0|1,0,0]=3 15148 B15R0.164 CCCCCCCCCCOCC=C(C)C 34a_100000210711_100000761012 [0,2,0,0,0,0|1,0,0]=3 15149 B15R0.164 CCCCCCCCCCOCC=C(C)C 34a_100000753907_100000210320 [0,2,0,0,0,0|1,0,0]=3 15150 B15R0.164 CCCCCCCCCCOCC=C(C)C 7a_100000210711_100000761012 [0,2,0,0,0,0|1,0,0]=3 15151 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [0,2,0,0,0,0|0,0,0]=2 15152 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [0,2,0,0,0,0|0,0,0]=2 15153 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [0,2,0,0,0,0|0,0,0]=2 15154 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [0,2,0,0,0,0|1,0,0]=3 15155 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [0,2,0,0,0,0|1,0,0]=3 15156 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [0,2,0,0,0,0|1,0,0]=3 15157 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [0,2,0,0,0,0|1,0,0]=3 15158 B15R0.164 CCCCCCCCCCOCCC(C)Br 34a_100009893172_100000210320 [0,2,0,0,0,0|1,0,1]=4 15159 B15R0.164 CCCCCCCCCCOCCC(C)C 34a_100000210254_100000210320 [0,2,0,0,0,0|1,0,1]=4 15160 B15R0.164 CCCCCCCCCCOCCC(C)C 34a_100000210711_100000210312 [0,2,0,0,0,0|1,0,1]=4 15161 B15R0.164 CCCCCCCCCCOCCC(C)C 7a_100000210254_100000210320 [0,2,0,0,0,0|1,0,1]=4 15162 B15R0.164 CCCCCCCCCCOCCC(C)C 7a_100000210711_100000210626 [0,2,0,0,0,0|1,0,1]=4 15163 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [0,2,0,0,0,0|0,0,2]=4 15164 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [0,2,0,0,0,0|0,0,2]=4 15165 B15R0.164 CCCCCCCCCCOCCN(C)C 7a_100000210711_100000755713 [0,2,0,0,0,0|2,0,0]=4 15166 B15R0.164 CCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210320 [0,2,0,0,0,0|1,0,1]=4 15167 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [0,2,0,0,0,0|0,0,0]=2 15168 B15R0.164 CCCCCCCCCCOCOC(C)C 34a_100000210711_100000709892 [0,2,0,0,0,0|1,0,1]=4 15169 B15R0.164 CCCCCCCCCCSCC=C(C)C 62a_100000761012_100000210320 [0,2,0,0,0,0|1,1,0]=4 15170 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [0,2,0,0,0,0|0,1,0]=3 15171 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [0,2,0,0,0,0|1,1,0]=4 15172 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [0,2,0,0,0,0|0,0,0]=2 15173 B15R0.164 CCCCCCCCCCSCOC(C)C 62a_100000709892_100000210320 [0,2,0,0,0,0|1,0,1]=4 15174 B15R0.164 CCCCCCCCCNCCC=C(C)C 2230a_100000212291_100011217483 [0,2,0,0,0,0|2,0,0]=4 15175 B15R0.164 CCCCCCCCCNCCC=C(C)C 34a_100000212291_100011217483 [0,2,0,0,0,0|2,0,0]=4 15176 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [0,2,0,0,0,0|1,0,0]=3 15177 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [0,2,0,0,0,0|2,0,0]=4 15178 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [0,2,0,0,0,0|2,0,0]=4 15179 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [0,2,0,0,0,0|2,0,0]=4 15180 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [0,2,0,0,0,0|1,0,0]=3 15181 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [0,2,0,0,0,0|1,0,0]=3 15182 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [0,2,0,0,0,0|2,0,0]=4 15183 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [0,2,0,0,0,0|2,0,0]=4 15184 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [0,2,0,0,0,0|0,0,0]=2 15185 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [0,2,0,0,0,0|1,0,0]=3 15186 B15R0.164 CCCCCCCCCNCCOC(C)C 2230a_100000212291_100000211751 [0,2,0,0,0,0|1,0,1]=4 15187 B15R0.164 CCCCCCCCCNCCOC(C)C 2230a_100000701111_100011214924 [0,2,0,0,0,0|1,0,1]=4 15188 B15R0.164 CCCCCCCCCNCCOC(C)C 34a_100000212291_100000211751 [0,2,0,0,0,0|1,0,1]=4 15189 B15R0.164 CCCCCCCCCNCCOC(C)C 34a_100000701111_100011214924 [0,2,0,0,0,0|1,0,1]=4 15190 B15R0.164 CCCCCCCCCOCCC=C(C)C 34a_100000210712_100011217483 [0,2,0,0,0,0|2,0,0]=4 15191 B15R0.164 CCCCCCCCCOCCC=C(C)C 7a_100000210712_100011217483 [0,2,0,0,0,0|2,0,0]=4 15192 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [0,2,0,0,0,0|1,0,0]=3 15193 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [0,2,0,0,0,0|1,0,0]=3 15194 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [0,2,0,0,0,0|1,0,0]=3 15195 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [0,2,0,0,0,0|1,0,0]=3 15196 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [0,2,0,0,0,0|2,0,0]=4 15197 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [0,2,0,0,0,0|2,0,0]=4 15198 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [0,2,0,0,0,0|1,0,0]=3 15199 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [0,2,0,0,0,0|1,0,0]=3 15200 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [0,2,0,0,0,0|2,0,0]=4 15201 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [0,2,0,0,0,0|2,0,0]=4 15202 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [0,2,0,0,0,0|0,0,0]=2 15203 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [0,2,0,0,0,0|0,0,0]=2 15204 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [0,2,0,0,0,0|1,0,0]=3 15205 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [0,2,0,0,0,0|1,0,0]=3 15206 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [0,2,0,0,0,0|1,0,0]=3 15207 B15R0.164 CCCCCCCCCOCCOC(C)C 34a_100000210712_100000211751 [0,2,0,0,0,0|1,0,1]=4 15208 B15R0.164 CCCCCCCCCOCCOC(C)C 34a_100000211219_100011214924 [0,2,0,0,0,0|1,0,1]=4 15209 B15R0.164 CCCCCCCCCOCCOC(C)C 7a_100000210712_100000211751 [0,2,0,0,0,0|1,0,1]=4 15210 B15R0.164 CCCCCCCCCOCCOC(C)C 7a_100000211219_100000210328 [0,2,0,0,0,0|1,0,1]=4 15211 B15R0.164 CCCCCCCCCSCCC=C(C)C 62a_100011217483_100000210670 [0,2,0,0,0,0|2,0,0]=4 15212 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [0,2,0,0,0,0|1,0,0]=3 15213 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [0,2,0,0,0,0|2,0,0]=4 15214 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [0,2,0,0,0,0|1,0,0]=3 15215 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [0,2,0,0,0,0|2,0,0]=4 15216 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [0,2,0,0,0,0|0,0,0]=2 15217 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [0,2,0,0,0,0|1,0,0]=3 15218 B15R0.164 CCCCCCCCCSCCOC(C)C 62a_100000211751_100000210670 [0,2,0,0,0,0|1,0,1]=4 15219 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [0,2,0,0,0,0|1,0,0]=3 15220 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [0,2,0,0,0,0|2,0,0]=4 15221 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [0,2,0,0,0,0|1,0,0]=3 15222 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [0,2,0,0,0,0|0,0,0]=2 15223 B15R0.164 CCCCCCCCNCCCOC(=S)C 2230a_100000229939_200135323944 [0,2,0,0,0,0|0,1,0]=3 15224 B15R0.164 CCCCCCCCNCCCOC(=S)C 34a_100000229939_200135323944 [0,2,0,0,0,0|0,1,0]=3 15225 B15R0.164 CCCCCCCCNCCCOC(C)C 2230a_100000737246_100000210759 [0,2,0,0,0,0|1,0,1]=4 15226 B15R0.164 CCCCCCCCNCCCOC(C)C 34a_100000737246_100000210759 [0,2,0,0,0,0|1,0,1]=4 15227 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [0,2,0,0,0,0|0,1,0]=3 15228 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [0,2,0,0,0,0|0,1,0]=3 15229 B15R0.164 CCCCCCCCNCCOCC(=O)N 2230a_100000229939_100000076697 [0,2,0,0,0,0|1,0,0]=3 15230 B15R0.164 CCCCCCCCNCCOCC(=O)N 34a_100000229939_100000076697 [0,2,0,0,0,0|1,0,0]=3 15231 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [0,2,0,0,0,0|1,0,0]=3 15232 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [0,2,0,0,0,0|1,0,0]=3 15233 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [0,2,0,0,0,0|1,0,0]=3 15234 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [0,2,0,0,0,0|2,0,0]=4 15235 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [0,2,0,0,0,0|2,0,0]=4 15236 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [0,2,0,0,0,0|1,0,0]=3 15237 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [0,2,0,0,0,0|0,0,0]=2 15238 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [0,2,0,0,0,0|0,0,0]=2 15239 B15R0.164 CCCCCCCCOCCCOC(=S)C 34a_100000210232_200135323944 [0,2,0,0,0,0|0,1,0]=3 15240 B15R0.164 CCCCCCCCOCCCOC(=S)C 7a_100000210232_200135323944 [0,2,0,0,0,0|0,1,0]=3 15241 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [0,2,0,0,0,0|0,1,0]=3 15242 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [0,2,0,0,0,0|0,1,0]=3 15243 B15R0.164 CCCCCCCCOCCOCC(=O)N 34a_100000210232_100000076697 [0,2,0,0,0,0|1,0,0]=3 15244 B15R0.164 CCCCCCCCOCCOCC(=O)N 7a_100000210232_100000076697 [0,2,0,0,0,0|1,0,0]=3 15245 B15R0.164 CCCCCCCCOCCOCC(C)C 34a_100000703358_100000210759 [0,2,0,0,0,0|1,0,1]=4 15246 B15R0.164 CCCCCCCCOCCOCC(C)C 7a_100000703358_100000210759 [0,2,0,0,0,0|1,0,1]=4 15247 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [0,2,0,0,0,0|1,0,0]=3 15248 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [0,2,0,0,0,0|1,0,0]=3 15249 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [0,2,0,0,0,0|0,0,0]=2 15250 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [0,2,0,0,0,0|0,0,0]=2 15251 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_100000210759_200135323944 [0,2,0,0,0,0|0,1,0]=3 15252 B15R0.164 CCCCCCCCSCCCOC(=S)C 62a_200135323944_100000210317 [0,2,0,0,0,0|0,1,0]=3 15253 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [0,2,0,0,0,0|0,1,0]=3 15254 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [0,2,0,0,0,0|0,1,0]=3 15255 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210317 [0,2,0,0,0,0|1,0,0]=3 15256 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000210759_100000076697 [0,2,0,0,0,0|1,0,0]=3 15257 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [0,2,0,0,0,0|2,0,0]=4 15258 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [0,2,0,0,0,0|1,0,0]=3 15259 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [0,2,0,0,0,0|1,0,0]=3 15260 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [0,2,0,0,0,0|0,1,0]=3 15261 B15R0.164 CCCCCCCNCCCOCC(C)C 2230a_100000205972_100000210681 [0,2,0,0,0,0|1,0,1]=4 15262 B15R0.164 CCCCCCCNCCCOCC(C)C 34a_100000205972_100000210614 [0,2,0,0,0,0|1,0,1]=4 15263 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [0,2,0,0,0,0|2,0,0]=4 15264 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [0,2,0,0,0,0|2,0,0]=4 15265 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [0,2,0,0,0,0|2,0,0]=4 15266 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [0,2,0,0,0,0|2,0,0]=4 15267 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [0,2,0,0,0,0|2,0,0]=4 15268 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [0,2,0,0,0,0|0,0,0]=2 15269 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [0,2,0,0,0,0|0,0,0]=2 15270 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [0,2,0,0,0,0|0,0,0]=2 15271 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [0,2,0,0,0,0|0,0,0]=2 15272 B15R0.164 CCCCCCCOCCCCO[N+](=O)[O-] 34a_100000210272_100015694321 [0,2,0,0,0,0|2,0,0]=4 15273 B15R0.164 CCCCCCCOCCCCO[N+](=O)[O-] 7a_100000210272_100015694321 [0,2,0,0,0,0|2,0,0]=4 15274 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [0,2,0,0,0,0|0,1,0]=3 15275 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [0,2,0,0,0,0|0,1,0]=3 15276 B15R0.164 CCCCCCCOCOCCOC(=O)C 34a_100000210272_100000076355 [0,2,0,0,0,0|0,0,0]=2 15277 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [0,2,0,0,0,0|2,0,0]=4 15278 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [0,2,0,0,0,0|2,0,0]=4 15279 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [0,2,0,0,0,0|0,0,0]=2 15280 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [0,2,0,0,0,0|0,0,0]=2 15281 B15R0.164 CCCCCCCSCCCCO[N+](=O)[O-] 62a_100000210614_100015694321 [0,2,0,0,0,0|2,0,0]=4 15282 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [0,2,0,0,0,0|0,1,0]=3 15283 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [0,2,0,0,0,0|0,1,0]=3 15284 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210316 [0,2,0,0,0,0|0,0,0]=2 15285 B15R0.164 CCCCCCCSCOCCOC(=O)C 62a_100000210614_100000076355 [0,2,0,0,0,0|0,0,0]=2 15286 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [0,2,0,0,0,0|1,0,0]=3 15287 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [0,2,0,0,0,0|1,0,0]=3 15288 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [0,2,0,0,0,0|0,0,0]=2 15289 B15R0.164 CCCCCCNCCOCCOC(=O)C 2230a_100000210581_200000083610 [0,2,0,0,0,0|0,0,0]=2 15290 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [0,2,0,0,0,0|0,0,0]=2 15291 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [0,2,0,0,0,0|0,0,0]=2 15292 B15R0.164 CCCCCCOCCOCCC=C(C)C 34a_100000691444_100011217483 [0,2,0,0,0,0|2,0,0]=4 15293 B15R0.164 CCCCCCOCCOCCC=C(C)C 7a_100000691444_100011217483 [0,2,0,0,0,0|2,0,0]=4 15294 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [0,2,0,0,0,0|1,0,0]=3 15295 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [0,2,0,0,0,0|1,0,0]=3 15296 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [0,2,0,0,0,0|2,0,0]=4 15297 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [0,2,0,0,0,0|2,0,0]=4 15298 B15R0.164 CCCCCCOCCOCCNC(=O)C 7a_100000691444_100000189650 [0,2,0,0,0,0|1,0,0]=3 15299 B15R0.164 CCCCCCOCCOCCNC(=O)N 7a_100000691444_200000034859 [0,2,0,0,0,0|2,0,0]=4 15300 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000210259_200000083610 [0,2,0,0,0,0|0,0,0]=2 15301 B15R0.164 CCCCCCOCCOCCOC(=O)C 34a_100000691444_100009814007 [0,2,0,0,0,0|0,0,0]=2 15302 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000210259_200000083610 [0,2,0,0,0,0|0,0,0]=2 15303 B15R0.164 CCCCCCOCCOCCOC(=O)C 7a_100000691444_100009814007 [0,2,0,0,0,0|0,0,0]=2 15304 B15R0.164 CCCCCCOCCOCCOC(=O)N 34a_100000691444_200011214921 [0,2,0,0,0,0|1,0,0]=3 15305 B15R0.164 CCCCCCOCCOCCOC(=O)N 7a_100000691444_200011214921 [0,2,0,0,0,0|1,0,0]=3 15306 B15R0.164 CCCCCCOCCOCCOC(C)C 34a_100000032842_100000210206 [0,2,0,0,0,0|1,0,1]=4 15307 B15R0.164 CCCCCCOCCOCCOC(C)C 34a_100000691444_100000211751 [0,2,0,0,0,0|1,0,1]=4 15308 B15R0.164 CCCCCCOCCOCCOC(C)C 7a_100000032842_100000210206 [0,2,0,0,0,0|1,0,1]=4 15309 B15R0.164 CCCCCCOCCOCCOC(C)C 7a_100000691444_100000211751 [0,2,0,0,0,0|1,0,1]=4 15310 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [0,2,0,0,0,0|0,0,0]=2 15311 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [0,2,0,0,0,0|0,0,0]=2 15312 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_100000210314_200000083610 [0,2,0,0,0,0|0,0,0]=2 15313 B15R0.164 CCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210757 [0,2,0,0,0,0|0,0,0]=2 15314 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [0,2,0,0,0,0|1,0,0]=3 15315 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [0,2,0,0,0,0|1,0,0]=3 15316 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [0,2,0,0,0,0|1,0,0]=3 15317 B15R0.164 CCCCCNCCOCCCOC(=O)C 34a_100000224656_100000042594 [0,2,0,0,0,0|0,0,0]=2 15318 B15R0.164 CCCCCNCCOCCCOC(=S)C 34a_100000224656_200135323944 [0,2,0,0,0,0|0,1,0]=3 15319 B15R0.164 CCCCCNCCOCCCSC(=O)C 34a_100000224656_100000038929 [0,2,0,0,0,0|0,1,0]=3 15320 B15R0.164 CCCCCNCCOCCOCC(=O)N 34a_100000224656_100000076697 [0,2,0,0,0,0|2,0,0]=4 15321 B15R0.164 CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210326 [0,2,0,0,0,0|2,0,0]=4 15322 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [0,2,0,0,0,0|1,0,0]=3 15323 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [0,2,0,0,0,0|1,0,0]=3 15324 B15R0.164 CCCCCOCCOCCCOC(=O)C 34a_100011215259_100000042594 [0,2,0,0,0,0|0,0,0]=2 15325 B15R0.164 CCCCCOCCOCCCOC(=O)C 7a_100011215259_100000042594 [0,2,0,0,0,0|0,0,0]=2 15326 B15R0.164 CCCCCOCCOCCCOC(=S)C 34a_100011215259_200135323944 [0,2,0,0,0,0|0,1,0]=3 15327 B15R0.164 CCCCCOCCOCCCOC(=S)C 7a_100011215259_200135323944 [0,2,0,0,0,0|0,1,0]=3 15328 B15R0.164 CCCCCOCCOCCCSC(=O)C 34a_100011215259_100000038929 [0,2,0,0,0,0|0,1,0]=3 15329 B15R0.164 CCCCCOCCOCCCSC(=O)C 7a_100011215259_100000038929 [0,2,0,0,0,0|0,1,0]=3 15330 B15R0.164 CCCCCOCCOCCOCC(=O)N 34a_100011215259_100000076697 [0,2,0,0,0,0|2,0,0]=4 15331 B15R0.164 CCCCCOCCOCCOCC(=O)N 7a_100011215259_100000076697 [0,2,0,0,0,0|2,0,0]=4 15332 B15R0.164 CCCCNCCCCOCCC=C(C)C 34a_200011216965_100011217483 [0,2,0,0,0,0|2,0,0]=4 15333 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [0,2,0,0,0,0|1,0,0]=3 15334 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [0,2,0,0,0,0|2,0,0]=4 15335 B15R0.164 CCCCNCCCCOCCOC(=O)C 34a_200011216965_100009814007 [0,2,0,0,0,0|0,0,0]=2 15336 B15R0.164 CCCCNCCCCOCCOC(=O)N 34a_200011216965_200011214921 [0,2,0,0,0,0|1,0,0]=3 15337 B15R0.164 CCCCNCCCCOCCOC(C)C 34a_200011216965_100000211751 [0,2,0,0,0,0|1,0,1]=4 15338 B15R0.164 CCCCOCCCCOCCC=C(C)C 34a_200000760531_100011217483 [0,2,0,0,0,0|2,0,0]=4 15339 B15R0.164 CCCCOCCCCOCCC=C(C)C 7a_200000760531_100011217483 [0,2,0,0,0,0|2,0,0]=4 15340 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [0,2,0,0,0,0|1,0,0]=3 15341 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [0,2,0,0,0,0|1,0,0]=3 15342 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [0,2,0,0,0,0|2,0,0]=4 15343 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [0,2,0,0,0,0|2,0,0]=4 15344 B15R0.164 CCCCOCCCCOCCNC(=O)C 7a_200000760531_100000189650 [0,2,0,0,0,0|1,0,0]=3 15345 B15R0.164 CCCCOCCCCOCCNC(=O)N 7a_200000760531_200000034859 [0,2,0,0,0,0|2,0,0]=4 15346 B15R0.164 CCCCOCCCCOCCOC(=O)C 34a_200000760531_100009814007 [0,2,0,0,0,0|0,0,0]=2 15347 B15R0.164 CCCCOCCCCOCCOC(=O)C 7a_200000760531_100009814007 [0,2,0,0,0,0|0,0,0]=2 15348 B15R0.164 CCCCOCCCCOCCOC(=O)N 34a_200000760531_200011214921 [0,2,0,0,0,0|1,0,0]=3 15349 B15R0.164 CCCCOCCCCOCCOC(=O)N 7a_200000760531_200011214921 [0,2,0,0,0,0|1,0,0]=3 15350 B15R0.164 CCCCOCCCCOCCOC(C)C 34a_200000760531_100000211751 [0,2,0,0,0,0|1,0,1]=4 15351 B15R0.164 CCCCOCCCCOCCOC(C)C 7a_200000760531_100000211751 [0,2,0,0,0,0|1,0,1]=4 15352 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [0,2,0,0,0,0|1,0,0]=3 15353 B15R0.164 CCCCOCCCNCCCOC(=O)C 34a_200000211371_100000042594 [0,2,0,0,0,0|0,0,0]=2 15354 B15R0.164 CCCCOCCCNCCCOC(=S)C 2230a_200000211371_200135323944 [0,2,0,0,0,0|0,1,0]=3 15355 B15R0.164 CCCCOCCCNCCCOC(=S)C 34a_200000211371_200135323944 [0,2,0,0,0,0|0,1,0]=3 15356 B15R0.164 CCCCOCCCNCCCSC(=O)C 2230a_200000211371_100000038929 [0,2,0,0,0,0|0,1,0]=3 15357 B15R0.164 CCCCOCCCNCCCSC(=O)C 34a_200000211371_100000038929 [0,2,0,0,0,0|0,1,0]=3 15358 B15R0.164 CCCCOCCCNCCOCC(=O)N 2230a_200000211371_100000076697 [0,2,0,0,0,0|2,0,0]=4 15359 B15R0.164 CCCCOCCCNCCOCC(=O)N 34a_200000211371_100000076697 [0,2,0,0,0,0|2,0,0]=4 15360 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [0,2,0,0,0,0|1,0,0]=3 15361 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [0,2,0,0,0,0|1,0,0]=3 15362 B15R0.164 CCCCOCCCOCCCOC(=O)C 34a_200011215613_100000042594 [0,2,0,0,0,0|0,0,0]=2 15363 B15R0.164 CCCCOCCCOCCCOC(=O)C 7a_200011215613_100000042594 [0,2,0,0,0,0|0,0,0]=2 15364 B15R0.164 CCCCOCCCOCCCOC(=S)C 34a_200011215613_200135323944 [0,2,0,0,0,0|0,1,0]=3 15365 B15R0.164 CCCCOCCCOCCCOC(=S)C 7a_200011215613_200135323944 [0,2,0,0,0,0|0,1,0]=3 15366 B15R0.164 CCCCOCCCOCCCSC(=O)C 34a_200011215613_100000038929 [0,2,0,0,0,0|0,1,0]=3 15367 B15R0.164 CCCCOCCCOCCCSC(=O)C 7a_200011215613_100000038929 [0,2,0,0,0,0|0,1,0]=3 15368 B15R0.164 CCCCOCCCOCCOCC(=O)N 34a_200011215613_100000076697 [0,2,0,0,0,0|2,0,0]=4 15369 B15R0.164 CCCCOCCCOCCOCC(=O)N 7a_200011215613_100000076697 [0,2,0,0,0,0|2,0,0]=4 15370 B15R0.164 CCCCOCCNCCCCNC(=O)C 2230a_200011368371_100000743108 [0,2,0,0,0,0|1,0,0]=3 15371 B15R0.164 CCCCOCCNCCCCNC(=O)C 34a_200011368371_100000743108 [0,2,0,0,0,0|1,0,0]=3 15372 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000123541_100000743108 [0,2,0,0,0,0|2,0,0]=4 15373 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000210238_100009817443 [0,2,0,0,0,0|2,0,0]=4 15374 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000123541_100000743108 [0,2,0,0,0,0|2,0,0]=4 15375 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000210238_100009817443 [0,2,0,0,0,0|2,0,0]=4 15376 B15R0.164 CCCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000743108 [0,2,0,0,0,0|2,0,0]=4 15377 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000073216_100000743108 [0,2,0,0,0,0|0,0,0]=2 15378 B15R0.164 CCCCOCCOCCCCOC(=O)C 34a_100000210238_100000033659 [0,2,0,0,0,0|0,0,0]=2 15379 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000073216_100000743108 [0,2,0,0,0,0|0,0,0]=2 15380 B15R0.164 CCCCOCCOCCCCOC(=O)C 7a_100000210238_100000033659 [0,2,0,0,0,0|0,0,0]=2 15381 B15R0.164 CCCCOCCOCCCCO[N+](=O)[O-] 34a_100000210238_100015694321 [0,2,0,0,0,0|2,0,0]=4 15382 B15R0.164 CCCCOCCOCCCCO[N+](=O)[O-] 7a_100000210238_100015694321 [0,2,0,0,0,0|2,0,0]=4 15383 B15R0.164 CCCCOCCOCCCCSC(=O)C 34a_100000210238_200010402107 [0,2,0,0,0,0|0,1,0]=3 15384 B15R0.164 CCCCOCCOCCCCSC(=O)C 7a_100000210238_200010402107 [0,2,0,0,0,0|0,1,0]=3 15385 B15R0.164 CCCCOCCOCCOCCC(=O)C 7a_100011215186_100000053229 [0,2,0,0,0,0|2,0,0]=4 15386 B15R0.164 CCCCOCCOCCOCOC(=O)C 34a_100011215186_100009813279 [0,2,0,0,0,0|1,0,0]=3 15387 B15R0.164 CCCCOCCOCOCCOC(=O)C 34a_100000210238_100000076355 [0,2,0,0,0,0|1,0,0]=3 15388 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100000743108_100009817443 [0,2,0,0,0,0|2,0,0]=4 15389 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100009817443_100000743108 [0,2,0,0,0,0|2,0,0]=4 15390 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000033659_100000743108 [0,2,0,0,0,0|0,0,0]=2 15391 B15R0.164 CCCCOCCSCCCCOC(=O)C 62a_100000743108_100000033659 [0,2,0,0,0,0|0,0,0]=2 15392 B15R0.164 CCCCOCCSCCCCO[N+](=O)[O-] 62a_100000743108_100015694321 [0,2,0,0,0,0|2,0,0]=4 15393 B15R0.164 CCCCOCCSCCCCSC(=O)C 62a_100000743108_200010402107 [0,2,0,0,0,0|0,1,0]=3 15394 B15R0.164 CCCCOCCSCCCCSC(=O)C 62a_200010402107_100000743108 [0,2,0,0,0,0|0,1,0]=3 15395 B15R0.164 CCCCOCCSCOCCOC(=O)C 62a_100000076355_100000743108 [0,2,0,0,0,0|1,0,0]=3 15396 B15R0.164 CCCCOCCSCOCCOC(=O)C 62a_100000743108_100000076355 [0,2,0,0,0,0|1,0,0]=3 15397 B15R0.164 CCCCOCNCCCCCNC(=O)C 2230a_200012022750_100011995733 [0,2,0,0,0,0|1,0,0]=3 15398 B15R0.164 CCCCOCNCCCCCNC(=O)C 34a_200012022750_100011995733 [0,2,0,0,0,0|1,0,0]=3 15399 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100000033007_100011995733 [0,2,0,0,0,0|0,0,0]=2 15400 B15R0.164 CCCCOCSCCCCCOC(=O)C 62a_100011995733_100000033007 [0,2,0,0,0,0|0,0,0]=2 15401 B15R0.164 CCCCOCSCCOCCOC(=O)C 62a_100011995733_200000083610 [0,2,0,0,0,0|1,0,0]=3 15402 B15R0.164 CCCCOCSCCOCCOC(=O)C 62a_200000083610_100011995733 [0,2,0,0,0,0|1,0,0]=3 15403 B15R0.164 CCCCSCCNCCCCCC(=O)N 2230a_100025743550_100009817443 [0,2,0,0,0,0|2,0,0]=4 15404 B15R0.164 CCCCSCCNCCCCSC(=O)C 2230a_100025743550_200010402107 [0,2,0,0,0,0|0,1,0]=3 15405 B15R0.164 CCCCSCCOCCCCCC(=O)N 34a_200000230436_100009817443 [0,2,0,0,0,0|2,0,0]=4 15406 B15R0.164 CCCCSCCOCCCCCC(=O)N 7a_200000230436_100009817443 [0,2,0,0,0,0|2,0,0]=4 15407 B15R0.164 CCCCSCCOCCCCOC(=O)C 34a_200000230436_100000033659 [0,2,0,0,0,0|0,0,0]=2 15408 B15R0.164 CCCCSCCOCCCCOC(=O)C 7a_200000230436_100000033659 [0,2,0,0,0,0|0,0,0]=2 15409 B15R0.164 CCCCSCCOCCCCO[N+](=O)[O-] 34a_200000230436_100015694321 [0,2,0,0,0,0|2,0,0]=4 15410 B15R0.164 CCCCSCCOCCCCO[N+](=O)[O-] 7a_200000230436_100015694321 [0,2,0,0,0,0|2,0,0]=4 15411 B15R0.164 CCCCSCCOCCCCSC(=O)C 34a_200000230436_200010402107 [0,2,0,0,0,0|0,1,0]=3 15412 B15R0.164 CCCCSCCOCCCCSC(=O)C 7a_200000230436_200010402107 [0,2,0,0,0,0|0,1,0]=3 15413 B15R0.164 CCCCSCCOCOCCOC(=O)C 34a_200000230436_100000076355 [0,2,0,0,0,0|1,0,0]=3 15414 B15R0.164 CCCOCCCNCCCCCC(=O)N 2230a_100011217757_100009817443 [0,2,0,0,0,0|2,0,0]=4 15415 B15R0.164 CCCOCCCNCCCCCC(=O)N 34a_100011217757_100009817443 [0,2,0,0,0,0|2,0,0]=4 15416 B15R0.164 CCCOCCCNCCCCOC(=O)C 34a_100011217757_100000033659 [0,2,0,0,0,0|0,0,0]=2 15417 B15R0.164 CCCOCCCNCCCCO[N+](=O)[O-] 34a_100011217757_100015694321 [0,2,0,0,0,0|2,0,0]=4 15418 B15R0.164 CCCOCCCNCCCCSC(=O)C 2230a_100011217757_200010402107 [0,2,0,0,0,0|0,1,0]=3 15419 B15R0.164 CCCOCCCNCCCCSC(=O)C 34a_100011217757_200010402107 [0,2,0,0,0,0|0,1,0]=3 15420 B15R0.164 CCCOCCCNCOCCOC(=O)C 34a_100011217757_100000076355 [0,2,0,0,0,0|1,0,0]=3 15421 B15R0.164 CCCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215938 [0,2,0,0,0,0|1,0,0]=3 15422 B15R0.164 CCCOCCNCCCCCNC(=O)C 34a_200012022750_100011215938 [0,2,0,0,0,0|1,0,0]=3 15423 B15R0.164 CCCOCCNCCCCCOC(=O)C 2230a_100161115042_100009813381 [0,2,0,0,0,0|0,0,0]=2 15424 B15R0.164 CCCOCCNCCCCCOC(=O)C 34a_100161115042_100000033007 [0,2,0,0,0,0|0,0,0]=2 15425 B15R0.164 CCCOCCNCCOCCOC(=O)C 2230a_100161115042_200000083610 [0,2,0,0,0,0|1,0,0]=3 15426 B15R0.164 CCCOCCNCCOCCOC(=O)C 34a_100161115042_200000083610 [0,2,0,0,0,0|1,0,0]=3 15427 B15R0.164 CCCOCCOCCCCCOC(=O)C 34a_100000752267_100000033007 [0,2,0,0,0,0|0,0,0]=2 15428 B15R0.164 CCCOCCOCCCCCOC(=O)C 7a_100000752267_100000033007 [0,2,0,0,0,0|0,0,0]=2 15429 B15R0.164 CCCOCCOCCNCCCC(=O)C 34a_200011904461_100000685027 [0,2,0,0,0,0|2,0,0]=4 15430 B15R0.164 CCCOCCOCCNCCNC(=O)C 2230a_200011904461_100000189650 [0,2,0,0,0,0|2,0,0]=4 15431 B15R0.164 CCCOCCOCCNCCOC(=O)C 34a_200011904461_100009814007 [0,2,0,0,0,0|1,0,0]=3 15432 B15R0.164 CCCOCCOCCNCCOC(=O)N 34a_200011904461_200011214921 [0,2,0,0,0,0|2,0,0]=4 15433 B15R0.164 CCCOCCOCCOCCOC(=O)C 34a_100000752267_200000083610 [0,2,0,0,0,0|1,0,0]=3 15434 B15R0.164 CCCOCCOCCOCCOC(=O)C 7a_100000752267_200000083610 [0,2,0,0,0,0|1,0,0]=3 15435 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100000033007_100011215938 [0,2,0,0,0,0|0,0,0]=2 15436 B15R0.164 CCCOCCSCCCCCOC(=O)C 62a_100011215938_100000033007 [0,2,0,0,0,0|0,0,0]=2 15437 B15R0.164 CCCOCCSCCOCCOC(=O)C 62a_100011215938_200000083610 [0,2,0,0,0,0|1,0,0]=3 15438 B15R0.164 CCCOCCSCCOCCOC(=O)C 62a_200000083610_100011215938 [0,2,0,0,0,0|1,0,0]=3 15439 B15R0.164 CCCSCCNCCCCCOC(=O)C 2230a_100020603323_100009813381 [0,2,0,0,0,0|0,0,0]=2 15440 B15R0.164 CCCSCCNCCOCCOC(=O)C 2230a_100020603323_200000083610 [0,2,0,0,0,0|1,0,0]=3 15441 B15R0.164 CCCSCCOCCCCCOC(=O)C 34a_200000230433_100000033007 [0,2,0,0,0,0|0,0,0]=2 15442 B15R0.164 CCCSCCOCCCCCOC(=O)C 7a_200000230433_100000033007 [0,2,0,0,0,0|0,0,0]=2 15443 B15R0.164 CCCSCCOCCOCCOC(=O)C 34a_200000230433_200000083610 [0,2,0,0,0,0|1,0,0]=3 15444 B15R0.164 CCCSCCOCCOCCOC(=O)C 7a_200000230433_200000083610 [0,2,0,0,0,0|1,0,0]=3 15445 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [0,2,0,0,0,0|2,0,0]=4 15446 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [0,2,0,0,0,0|2,0,0]=4 15447 B15R0.164 CCOCCCCCCCCCOC(C)C 34a_100009875440_100000210206 [0,2,0,0,0,0|1,0,1]=4 15448 B15R0.164 CCOCCCCCCCCCOC(C)C 7a_100009875440_100000210206 [0,2,0,0,0,0|1,0,1]=4 15449 B15R0.164 CCOCCCNCCCCCNC(=O)C 2230a_200012022750_100012232248 [0,2,0,0,0,0|1,0,0]=3 15450 B15R0.164 CCOCCCNCCCCCNC(=O)C 34a_200012022750_100012232248 [0,2,0,0,0,0|1,0,0]=3 15451 B15R0.164 CCOCCCNCCCCCOC(=O)C 2230a_100000210961_100009813381 [0,2,0,0,0,0|0,0,0]=2 15452 B15R0.164 CCOCCCNCCCCCOC(=O)C 34a_100000210961_100000033007 [0,2,0,0,0,0|0,0,0]=2 15453 B15R0.164 CCOCCCNCCOCCOC(=O)C 2230a_100000210961_200000083610 [0,2,0,0,0,0|1,0,0]=3 15454 B15R0.164 CCOCCCNCCOCCOC(=O)C 34a_100000210961_200000083610 [0,2,0,0,0,0|1,0,0]=3 15455 B15R0.164 CCOCCCOCCCCCOC(=O)C 34a_100000757476_100000033007 [0,2,0,0,0,0|0,0,0]=2 15456 B15R0.164 CCOCCCOCCCCCOC(=O)C 7a_100000757476_100000033007 [0,2,0,0,0,0|0,0,0]=2 15457 B15R0.164 CCOCCCOCCOCCOC(=O)C 34a_100000757476_200000083610 [0,2,0,0,0,0|1,0,0]=3 15458 B15R0.164 CCOCCCOCCOCCOC(=O)C 7a_100000757476_200000083610 [0,2,0,0,0,0|1,0,0]=3 15459 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100000033007_100012232248 [0,2,0,0,0,0|0,0,0]=2 15460 B15R0.164 CCOCCCSCCCCCOC(=O)C 62a_100012232248_100000033007 [0,2,0,0,0,0|0,0,0]=2 15461 B15R0.164 CCOCCCSCCOCCOC(=O)C 62a_100012232248_200000083610 [0,2,0,0,0,0|1,0,0]=3 15462 B15R0.164 CCOCCCSCCOCCOC(=O)C 62a_200000083610_100012232248 [0,2,0,0,0,0|1,0,0]=3 15463 B15R0.164 CCOCCNCCCCCCNC(=O)C 2230a_200011996284_100011215890 [0,2,0,0,0,0|1,0,0]=3 15464 B15R0.164 CCOCCNCCCCCCNC(=O)C 34a_200011996284_100000210147 [0,2,0,0,0,0|1,0,0]=3 15465 B15R0.164 CCOCCOCCNCCCCC(=O)C 34a_100102712874_100009817362 [0,2,0,0,0,0|2,0,0]=4 15466 B15R0.164 CCOCCOCCNCCCNC(=O)C 34a_100000736810_100011211534 [0,2,0,0,0,0|2,0,0]=4 15467 B15R0.164 CCOCCOCCNCCCOC(=O)C 34a_100102712874_100000042594 [0,2,0,0,0,0|1,0,0]=3 15468 B15R0.164 CCOCCOCCNCCCOC(=S)C 2230a_100102712874_200135323944 [0,2,0,0,0,0|1,1,0]=4 15469 B15R0.164 CCOCCOCCNCCCOC(=S)C 34a_100102712874_200135323944 [0,2,0,0,0,0|1,1,0]=4 15470 B15R0.164 CCOCCOCCNCCCSC(=O)C 2230a_100102712874_100000038929 [0,2,0,0,0,0|1,1,0]=4 15471 B15R0.164 CCOCCOCCNCCCSC(=O)C 34a_100102712874_100000038929 [0,2,0,0,0,0|1,1,0]=4 15472 B15R0.164 CCOCCOCCOCCCCC(=O)C 34a_100000210240_100009817362 [0,2,0,0,0,0|2,0,0]=4 15473 B15R0.164 CCOCCOCCOCCCCC(=O)C 7a_100000210240_100000735457 [0,2,0,0,0,0|2,0,0]=4 15474 B15R0.164 CCOCCOCCOCCCNC(=O)C 34a_100000752032_100011211534 [0,2,0,0,0,0|2,0,0]=4 15475 B15R0.164 CCOCCOCCOCCCOC(=O)C 34a_100000210240_100000042594 [0,2,0,0,0,0|1,0,0]=3 15476 B15R0.164 CCOCCOCCOCCCOC(=O)C 7a_100000210240_100000042594 [0,2,0,0,0,0|1,0,0]=3 15477 B15R0.164 CCOCCOCCOCCCOC(=S)C 34a_100000210240_200135323944 [0,2,0,0,0,0|1,1,0]=4 15478 B15R0.164 CCOCCOCCOCCCOC(=S)C 7a_100000210240_200135323944 [0,2,0,0,0,0|1,1,0]=4 15479 B15R0.164 CCOCCOCCOCCCSC(=O)C 34a_100000210240_100000038929 [0,2,0,0,0,0|1,1,0]=4 15480 B15R0.164 CCOCCOCCOCCCSC(=O)C 7a_100000210240_100000038929 [0,2,0,0,0,0|1,1,0]=4 15481 B15R0.164 CCOCCOCCSCCCCC(=O)C 62a_100000735457_100011211534 [0,2,0,0,0,0|2,0,0]=4 15482 B15R0.164 CCOCCOCCSCCCCC(=O)C 62a_100011211534_100000735457 [0,2,0,0,0,0|2,0,0]=4 15483 B15R0.164 CCOCCOCCSCCCOC(=O)C 62a_100000042594_100011211534 [0,2,0,0,0,0|1,0,0]=3 15484 B15R0.164 CCOCCOCCSCCCOC(=O)C 62a_100011211534_100000042594 [0,2,0,0,0,0|1,0,0]=3 15485 B15R0.164 CCOCCOCCSCCCOC(=S)C 62a_100011211534_200135323944 [0,2,0,0,0,0|1,1,0]=4 15486 B15R0.164 CCOCCOCCSCCCOC(=S)C 62a_200135323944_100011211534 [0,2,0,0,0,0|1,1,0]=4 15487 B15R0.164 CCOCCOCCSCCCSC(=O)C 62a_100000038929_100011211534 [0,2,0,0,0,0|1,1,0]=4 15488 B15R0.164 CCOCCOCCSCCCSC(=O)C 62a_100011211534_100000038929 [0,2,0,0,0,0|1,1,0]=4 15489 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [0,2,0,0,0,0|2,0,0]=4 15490 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [0,2,0,0,0,0|2,0,0]=4 15491 B15R0.164 CCSCCCOCCCCCOC(=O)C 34a_100011216438_100000033007 [0,2,0,0,0,0|0,0,0]=2 15492 B15R0.164 CCSCCCOCCCCCOC(=O)C 7a_100011216438_100000033007 [0,2,0,0,0,0|0,0,0]=2 15493 B15R0.164 CCSCCCOCCOCCOC(=O)C 34a_100011216438_200000083610 [0,2,0,0,0,0|1,0,0]=3 15494 B15R0.164 CCSCCCOCCOCCOC(=O)C 7a_100011216438_200000083610 [0,2,0,0,0,0|1,0,0]=3 15495 B15R0.164 CCSCCNCCCCCCNC(=O)C 2230a_200011996284_100000757381 [0,2,0,0,0,0|1,0,0]=3 15496 B15R0.164 CCSCCNCCCCCCNC(=O)C 34a_200011996284_100000757381 [0,2,0,0,0,0|1,0,0]=3 15497 B15R0.164 CNCCCCCOCCCCCC(=O)N 34a_100000722520_100009817443 [0,2,0,0,0,0|2,0,0]=4 15498 B15R0.164 CNCCCCCOCCCCOC(=O)C 34a_100000722520_100000033659 [0,2,0,0,0,0|0,0,0]=2 15499 B15R0.164 CNCCCCCOCCCCO[N+](=O)[O-] 34a_100000722520_100015694321 [0,2,0,0,0,0|2,0,0]=4 15500 B15R0.164 CNCCCCCOCCCCSC(=O)C 34a_100000722520_200010402107 [0,2,0,0,0,0|0,1,0]=3 15501 B15R0.164 CNCCCCCOCOCCOC(=O)C 34a_100000722520_100000076355 [0,2,0,0,0,0|1,0,0]=3 15502 B15R0.164 CNCCOCCOCCCCOC(=O)C 34a_100000228057_100000033659 [0,2,0,0,0,0|1,0,0]=3 15503 B15R0.164 CNCCOCCOCCCCSC(=O)C 34a_100000228057_200010402107 [0,2,0,0,0,0|1,1,0]=4 15504 B15R0.164 CNCCOCCOCCOCOC(=O)C 34a_200014138305_100009813279 [0,2,0,0,0,0|2,0,0]=4 15505 B15R0.164 CNCCOCCOCOCCOC(=O)C 34a_100000228057_100000076355 [0,2,0,0,0,0|2,0,0]=4 15506 B15R0.164 COCCCCCCNCCCCC(=O)N 34a_100000696515_100011998445 [0,2,0,0,0,0|2,0,0]=4 15507 B15R0.164 COCCCCCCNCCCNC(=O)C 34a_100000736810_100011998445 [0,2,0,0,0,0|1,0,0]=3 15508 B15R0.164 COCCCCCCNCCCOC(C)C 2230a_100000737246_100011998445 [0,2,0,0,0,0|1,0,1]=4 15509 B15R0.164 COCCCCCCNCCCOC(C)C 34a_100000737246_100011998445 [0,2,0,0,0,0|1,0,1]=4 15510 B15R0.164 COCCCCCCNCCOCC(=O)O 269956a_100000700818_100011998445 [0,2,0,0,0,0|2,0,0]=4 15511 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [0,2,0,0,0,0|1,0,0]=3 15512 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [0,2,0,0,0,0|1,0,0]=3 15513 B15R0.164 COCCCCCCOCCCCC(=O)N 34a_100012022536_100011998445 [0,2,0,0,0,0|2,0,0]=4 15514 B15R0.164 COCCCCCCOCCCCC(=O)N 7a_100012022536_100011998445 [0,2,0,0,0,0|2,0,0]=4 15515 B15R0.164 COCCCCCCOCCCNC(=O)C 34a_100000752032_100011998445 [0,2,0,0,0,0|1,0,0]=3 15516 B15R0.164 COCCCCCCOCCCOC(=O)C 34a_200012092642_100000042594 [0,2,0,0,0,0|0,0,0]=2 15517 B15R0.164 COCCCCCCOCCCOC(=O)C 7a_200012092642_100000042594 [0,2,0,0,0,0|0,0,0]=2 15518 B15R0.164 COCCCCCCOCCCOC(=S)C 34a_200012092642_200135323944 [0,2,0,0,0,0|0,1,0]=3 15519 B15R0.164 COCCCCCCOCCCOC(=S)C 7a_200012092642_200135323944 [0,2,0,0,0,0|0,1,0]=3 15520 B15R0.164 COCCCCCCOCCCSC(=O)C 34a_200012092642_100000038929 [0,2,0,0,0,0|0,1,0]=3 15521 B15R0.164 COCCCCCCOCCCSC(=O)C 7a_200012092642_100000038929 [0,2,0,0,0,0|0,1,0]=3 15522 B15R0.164 COCCCCCCOCCOCC(=O)N 34a_200012092642_100000076697 [0,2,0,0,0,0|2,0,0]=4 15523 B15R0.164 COCCCCCCOCCOCC(=O)N 7a_200012092642_100000076697 [0,2,0,0,0,0|2,0,0]=4 15524 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [0,2,0,0,0,0|1,0,0]=3 15525 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [0,2,0,0,0,0|1,0,0]=3 15526 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100000042594_100011998445 [0,2,0,0,0,0|0,0,0]=2 15527 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100011998445_100000042594 [0,2,0,0,0,0|0,0,0]=2 15528 B15R0.164 COCCCCCCSCCCOC(=S)C 62a_100011998445_200135323944 [0,2,0,0,0,0|0,1,0]=3 15529 B15R0.164 COCCCCCCSCCCOC(=S)C 62a_200135323944_100011998445 [0,2,0,0,0,0|0,1,0]=3 15530 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100000038929_100011998445 [0,2,0,0,0,0|0,1,0]=3 15531 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100011998445_100000038929 [0,2,0,0,0,0|0,1,0]=3 15532 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100000076697_100011998445 [0,2,0,0,0,0|2,0,0]=4 15533 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100011998445_100000076697 [0,2,0,0,0,0|2,0,0]=4 15534 B15R0.164 COCCCCCNCCCCCC(=O)N 2230a_100000747528_100009817443 [0,2,0,0,0,0|2,0,0]=4 15535 B15R0.164 COCCCCCNCCCCCC(=O)N 34a_100000747528_100009817443 [0,2,0,0,0,0|2,0,0]=4 15536 B15R0.164 COCCCCCNCCCCOC(=O)C 34a_100000747528_100000033659 [0,2,0,0,0,0|0,0,0]=2 15537 B15R0.164 COCCCCCNCCCCO[N+](=O)[O-] 34a_100000747528_100015694321 [0,2,0,0,0,0|2,0,0]=4 15538 B15R0.164 COCCCCCNCCCCSC(=O)C 2230a_100000747528_200010402107 [0,2,0,0,0,0|0,1,0]=3 15539 B15R0.164 COCCCCCNCCCCSC(=O)C 34a_100000747528_200010402107 [0,2,0,0,0,0|0,1,0]=3 15540 B15R0.164 COCCCCCNCOCCOC(=O)C 34a_100000747528_100000076355 [0,2,0,0,0,0|1,0,0]=3 15541 B15R0.164 COCCCCNCCCCCNC(=O)C 2230a_200012022750_100000730899 [0,2,0,0,0,0|1,0,0]=3 15542 B15R0.164 COCCCCNCCCCCNC(=O)C 34a_200012022750_100000755781 [0,2,0,0,0,0|1,0,0]=3 15543 B15R0.164 COCCCCOCCCCCOC(=O)C 34a_100000740925_100000033007 [0,2,0,0,0,0|0,0,0]=2 15544 B15R0.164 COCCCCOCCOCCOC(=O)C 34a_100000740925_200000083610 [0,2,0,0,0,0|1,0,0]=3 15545 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000033007_100000730899 [0,2,0,0,0,0|0,0,0]=2 15546 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000730899_100000033007 [0,2,0,0,0,0|0,0,0]=2 15547 B15R0.164 COCCCCSCCOCCOC(=O)C 62a_100000730899_200000083610 [0,2,0,0,0,0|1,0,0]=3 15548 B15R0.164 COCCCCSCCOCCOC(=O)C 62a_200000083610_100000730899 [0,2,0,0,0,0|1,0,0]=3 15549 B15R0.164 COCCCNCCCCCCNC(=O)C 2230a_200011996284_100000740836 [0,2,0,0,0,0|1,0,0]=3 15550 B15R0.164 COCCCNCCCCCCNC(=O)C 34a_200011996284_100000740836 [0,2,0,0,0,0|1,0,0]=3 15551 B15R0.164 COCCCOCCCOCCCC(=O)C 34a_200011215475_100000685027 [0,2,0,0,0,0|2,0,0]=4 15552 B15R0.164 COCCCOCCCOCCCC(=O)C 7a_200011215475_100011215641 [0,2,0,0,0,0|2,0,0]=4 15553 B15R0.164 COCCCOCCCOCCNC(=O)C 7a_200011215475_100000189650 [0,2,0,0,0,0|2,0,0]=4 15554 B15R0.164 COCCCOCCCOCCOC(=O)C 34a_200011215475_100009814007 [0,2,0,0,0,0|1,0,0]=3 15555 B15R0.164 COCCCOCCCOCCOC(=O)C 7a_200011215475_100009814007 [0,2,0,0,0,0|1,0,0]=3 15556 B15R0.164 COCCCOCCCOCCOC(=O)N 34a_200011215475_200011214921 [0,2,0,0,0,0|2,0,0]=4 15557 B15R0.164 COCCCOCCCOCCOC(=O)N 7a_200011215475_200011214921 [0,2,0,0,0,0|2,0,0]=4 15558 B15R0.164 COCCOCCCNCCCCC(=O)C 34a_100000206027_100009817362 [0,2,0,0,0,0|2,0,0]=4 15559 B15R0.164 COCCOCCCNCCCNC(=O)C 34a_100000736810_100011216529 [0,2,0,0,0,0|2,0,0]=4 15560 B15R0.164 COCCOCCCNCCCOC(=O)C 34a_100000206027_100000042594 [0,2,0,0,0,0|1,0,0]=3 15561 B15R0.164 COCCOCCCNCCCOC(=S)C 2230a_100000206027_200135323944 [0,2,0,0,0,0|1,1,0]=4 15562 B15R0.164 COCCOCCCNCCCOC(=S)C 34a_100000206027_200135323944 [0,2,0,0,0,0|1,1,0]=4 15563 B15R0.164 COCCOCCCNCCCSC(=O)C 2230a_100000206027_100000038929 [0,2,0,0,0,0|1,1,0]=4 15564 B15R0.164 COCCOCCCNCCCSC(=O)C 34a_100000206027_100000038929 [0,2,0,0,0,0|1,1,0]=4 15565 B15R0.164 COCCOCCCOCCCNC(=O)C 34a_100000752032_100011216529 [0,2,0,0,0,0|2,0,0]=4 15566 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100000735457_100011216529 [0,2,0,0,0,0|2,0,0]=4 15567 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100011216529_100000735457 [0,2,0,0,0,0|2,0,0]=4 15568 B15R0.164 COCCOCCCSCCCOC(=O)C 62a_100000042594_100011216529 [0,2,0,0,0,0|1,0,0]=3 15569 B15R0.164 COCCOCCCSCCCOC(=O)C 62a_100011216529_100000042594 [0,2,0,0,0,0|1,0,0]=3 15570 B15R0.164 COCCOCCCSCCCOC(=S)C 62a_100011216529_200135323944 [0,2,0,0,0,0|1,1,0]=4 15571 B15R0.164 COCCOCCCSCCCOC(=S)C 62a_200135323944_100011216529 [0,2,0,0,0,0|1,1,0]=4 15572 B15R0.164 COCCOCCCSCCCSC(=O)C 62a_100000038929_100011216529 [0,2,0,0,0,0|1,1,0]=4 15573 B15R0.164 COCCOCCCSCCCSC(=O)C 62a_100011216529_100000038929 [0,2,0,0,0,0|1,1,0]=4 15574 B15R0.164 COCCOCCNCCCCNC(=O)C 2230a_200011368371_100000695917 [0,2,0,0,0,0|2,0,0]=4 15575 B15R0.164 COCCOCCNCCCCNC(=O)C 34a_200011368371_100000695917 [0,2,0,0,0,0|2,0,0]=4 15576 B15R0.164 COCCOCCNCCCCOC(=O)C 34a_100000745349_100000033659 [0,2,0,0,0,0|1,0,0]=3 15577 B15R0.164 COCCOCCNCCCCSC(=O)C 2230a_100000745349_200010402107 [0,2,0,0,0,0|1,1,0]=4 15578 B15R0.164 COCCOCCNCCCCSC(=O)C 34a_100000745349_200010402107 [0,2,0,0,0,0|1,1,0]=4 15579 B15R0.164 COCCOCCNCOCCOC(=O)C 34a_100000745349_100000076355 [0,2,0,0,0,0|2,0,0]=4 15580 B15R0.164 COCCOCCOCCCCOC(=O)C 34a_100000073216_100000695917 [0,2,0,0,0,0|1,0,0]=3 15581 B15R0.164 COCCOCCOCCCCOC(=O)C 34a_100011215163_100000033659 [0,2,0,0,0,0|1,0,0]=3 15582 B15R0.164 COCCOCCOCCCCOC(=O)C 7a_100000073216_100000695917 [0,2,0,0,0,0|1,0,0]=3 15583 B15R0.164 COCCOCCOCCCCOC(=O)C 7a_100011215163_100000033659 [0,2,0,0,0,0|1,0,0]=3 15584 B15R0.164 COCCOCCOCCCCSC(=O)C 34a_100011215163_200010402107 [0,2,0,0,0,0|1,1,0]=4 15585 B15R0.164 COCCOCCOCCCCSC(=O)C 7a_100011215163_200010402107 [0,2,0,0,0,0|1,1,0]=4 15586 B15R0.164 COCCOCCOCCNCOC(=O)C 34a_100012028300_100009813279 [0,2,0,0,0,0|2,0,0]=4 15587 B15R0.164 COCCOCCOCCOCOC(=O)C 34a_100000688194_100009813279 [0,2,0,0,0,0|2,0,0]=4 15588 B15R0.164 COCCOCCOCCSCOC(=O)C 62a_100000076356_100013367474 [0,2,0,0,0,0|2,0,0]=4 15589 B15R0.164 COCCOCCOCCSCOC(=O)C 62a_100013367474_100000076356 [0,2,0,0,0,0|2,0,0]=4 15590 B15R0.164 COCCOCCOCOCCOC(=O)C 34a_100011215163_100000076355 [0,2,0,0,0,0|2,0,0]=4 15591 B15R0.164 COCCOCCSCCCCOC(=O)C 62a_100000033659_100000695917 [0,2,0,0,0,0|1,0,0]=3 15592 B15R0.164 COCCOCCSCCCCOC(=O)C 62a_100000695917_100000033659 [0,2,0,0,0,0|1,0,0]=3 15593 B15R0.164 COCCOCCSCCCCSC(=O)C 62a_100000695917_200010402107 [0,2,0,0,0,0|1,1,0]=4 15594 B15R0.164 COCCOCCSCCCCSC(=O)C 62a_200010402107_100000695917 [0,2,0,0,0,0|1,1,0]=4 15595 B15R0.164 COCCOCCSCOCCOC(=O)C 62a_100000076355_100000695917 [0,2,0,0,0,0|2,0,0]=4 15596 B15R0.164 COCCOCCSCOCCOC(=O)C 62a_100000695917_100000076355 [0,2,0,0,0,0|2,0,0]=4 15597 B15R0.164 COCCOCNCCCCCNC(=O)C 2230a_200012022750_100000231047 [0,2,0,0,0,0|2,0,0]=4 15598 B15R0.164 COCCOCSCCCCCOC(=O)C 62a_100000033007_100000231047 [0,2,0,0,0,0|1,0,0]=3 15599 B15R0.164 COCCOCSCCCCCOC(=O)C 62a_100000231047_100000033007 [0,2,0,0,0,0|1,0,0]=3 15600 B15R0.164 COCCOCSCCOCCOC(=O)C 62a_100000231047_200000083610 [0,2,0,0,0,0|2,0,0]=4 15601 B15R0.164 COCCOCSCCOCCOC(=O)C 62a_200000083610_100000231047 [0,2,0,0,0,0|2,0,0]=4 15602 B15R0.164 CS(=O)CCCNCCCCCCCCO 2230a_200000753449_100000033203 [0,2,0,0,0,0|2,0,0]=4 15603 B15R0.164 CSCCCCOCCCCCOC(=O)C 34a_100011217163_100000033007 [0,2,0,0,0,0|0,0,0]=2 15604 B15R0.164 CSCCCCOCCCCCOC(=O)C 7a_100011217163_100000033007 [0,2,0,0,0,0|0,0,0]=2 15605 B15R0.164 CSCCCCOCCOCCOC(=O)C 34a_100011217163_200000083610 [0,2,0,0,0,0|1,0,0]=3 15606 B15R0.164 CSCCCCOCCOCCOC(=O)C 7a_100011217163_200000083610 [0,2,0,0,0,0|1,0,0]=3 15607 B15R0.164 C[C@@H](Cl)COCCCCCCCCCCO 34a_100016084084_100009813290 [0,2,0,0,0,0|1,0,1]=4 15608 B15R0.164 C[C@@H](N)COCCCCCCCCCCO 34a_100000737577_100009813290 [0,2,0,0,0,0|1,0,1]=4 15609 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 34a_100009813290_100009817552 [0,2,0,0,0,0|0,0,2]=4 15610 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 7a_100009813290_100009817552 [0,2,0,0,0,0|0,0,2]=4 15611 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 34a_200000033068_100009817552 [0,2,0,0,0,0|0,0,2]=4 15612 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 7a_200000033068_100009817552 [0,2,0,0,0,0|0,0,2]=4 15613 B15R0.164 C[C@@H](O)COCCCCCCCCCCN 34a_100000066964_100009817552 [0,2,0,0,0,0|0,0,2]=4 15614 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_100015361967_200010167045 [0,2,0,0,0,0|2,0,0]=4 15615 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_200010167045_100015361967 [0,2,0,0,0,0|2,0,0]=4 15616 B15R0.164 NC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009817443 [0,2,0,0,0,0|2,0,0]=4 15617 B15R0.164 NC(=O)CCCCCNCCCCCCO 34a_100000686447_100009817443 [0,2,0,0,0,0|2,0,0]=4 15618 B15R0.164 NC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009817443 [0,2,0,0,0,0|2,0,0]=4 15619 B15R0.164 NC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009817443 [0,2,0,0,0,0|2,0,0]=4 15620 B15R0.164 NC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009817443 [0,2,0,0,0,0|2,0,0]=4 15621 B15R0.164 NC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009817443 [0,2,0,0,0,0|2,0,0]=4 15622 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000123541_100015922095 [0,2,0,0,0,0|2,0,0]=4 15623 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000732779_100009817443 [0,2,0,0,0,0|2,0,0]=4 15624 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000123541_100015922095 [0,2,0,0,0,0|2,0,0]=4 15625 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000732779_100009817443 [0,2,0,0,0,0|2,0,0]=4 15626 B15R0.164 NC(=O)CCCCCOCCCCCCO 34a_100000123541_100000766143 [0,2,0,0,0,0|2,0,0]=4 15627 B15R0.164 NC(=O)CCCCCOCCCCCCO 7a_100000123541_100000766143 [0,2,0,0,0,0|2,0,0]=4 15628 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100009817443_100015922095 [0,2,0,0,0,0|2,0,0]=4 15629 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100015922095_100009817443 [0,2,0,0,0,0|2,0,0]=4 15630 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100000766143_100009817443 [0,2,0,0,0,0|2,0,0]=4 15631 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100009817443_100000766143 [0,2,0,0,0,0|2,0,0]=4 15632 B15R0.164 NC(=O)CCCCNCCCCCCCO 34a_100000696515_100000760002 [0,2,0,0,0,0|2,0,0]=4 15633 B15R0.164 NC(=O)CCCCOCCCCCCCO 34a_100012022536_100000760002 [0,2,0,0,0,0|2,0,0]=4 15634 B15R0.164 NC(=O)CCCCOCCCCCCCO 7a_100012022536_100000760002 [0,2,0,0,0,0|2,0,0]=4 15635 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [0,2,0,0,0,0|2,0,0]=4 15636 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [0,2,0,0,0,0|2,0,0]=4 15637 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [0,2,0,0,0,0|2,0,0]=4 15638 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [0,2,0,0,0,0|2,0,0]=4 15639 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [0,2,0,0,0,0|2,0,0]=4 15640 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [0,2,0,0,0,0|2,0,0]=4 15641 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [0,2,0,0,0,0|2,0,0]=4 15642 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [0,2,0,0,0,0|2,0,0]=4 15643 B15R0.164 NC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000744528 [0,2,0,0,0,0|2,0,0]=4 15644 B15R0.164 NC(=O)CCNCCCCCCCCCO 34a_100000078944_100000731001 [0,2,0,0,0,0|2,0,0]=4 15645 B15R0.164 NC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731001 [0,2,0,0,0,0|2,0,0]=4 15646 B15R0.164 NC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000744528 [0,2,0,0,0,0|2,0,0]=4 15647 B15R0.164 NC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000731001 [0,2,0,0,0,0|2,0,0]=4 15648 B15R0.164 NC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000744528 [0,2,0,0,0,0|2,0,0]=4 15649 B15R0.164 NC(=O)CCOCCCCCCCCCO 34a_100000757172_100009813782 [0,2,0,0,0,0|2,0,0]=4 15650 B15R0.164 NC(=O)CCOCCCCCCCCCO 7a_100000757172_100009813782 [0,2,0,0,0,0|2,0,0]=4 15651 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100000744528_100009813782 [0,2,0,0,0,0|2,0,0]=4 15652 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100009813782_100000744528 [0,2,0,0,0,0|2,0,0]=4 15653 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747473 [0,2,0,0,0,0|2,0,0]=4 15654 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000711301_100009813290 [0,2,0,0,0,0|2,0,0]=4 15655 B15R0.164 NC(=O)CNCCCCCCCCCCO 34a_100000066964_100000187820 [0,2,0,0,0,0|2,0,0]=4 15656 B15R0.164 NC(=O)COCCCCCCCCCCBr 34a_100009813290_100000187820 [0,2,0,0,0,0|1,0,0]=3 15657 B15R0.164 NC(=O)COCCCCCCCCCCBr 7a_100009813290_100000187820 [0,2,0,0,0,0|1,0,0]=3 15658 B15R0.164 NC(=O)COCCCCCCCCCCCl 34a_200000033068_100000187820 [0,2,0,0,0,0|1,0,0]=3 15659 B15R0.164 NC(=O)COCCCCCCCCCCCl 7a_200000033068_100000187820 [0,2,0,0,0,0|1,0,0]=3 15660 B15R0.164 NC(=O)COCCNCCCCCCCO 2230a_100011996573_100000076697 [0,2,0,0,0,0|2,0,0]=4 15661 B15R0.164 NC(=O)COCCNCCCCCCCO 34a_100011996573_100000076697 [0,2,0,0,0,0|2,0,0]=4 15662 B15R0.164 NC(=O)COCCOCCCCCCCBr 34a_100000760002_100000076697 [0,2,0,0,0,0|2,0,0]=4 15663 B15R0.164 NC(=O)COCCOCCCCCCCBr 7a_100000760002_100000076697 [0,2,0,0,0,0|2,0,0]=4 15664 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000076697_100000760002 [0,2,0,0,0,0|2,0,0]=4 15665 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000760002_100000076697 [0,2,0,0,0,0|2,0,0]=4 15666 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100000747473_200000033068 [0,2,0,0,0,0|1,1,0]=4 15667 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747473 [0,2,0,0,0,0|1,1,0]=4 15668 B15R0.164 NC(=O)NCCNCCCCCCCCO 2230a_102515433106_200000034859 [0,2,0,0,0,0|2,0,0]=4 15669 B15R0.164 NC(=O)NCCNCCCCCCCCO 34a_100020590234_100000033203 [0,2,0,0,0,0|2,0,0]=4 15670 B15R0.164 NC(=O)NCCOCCCCCCCCBr 7a_100009813846_200000034859 [0,2,0,0,0,0|2,0,0]=4 15671 B15R0.164 NC(=O)NCCOCCCCCCCCCl 7a_100000033203_200000034859 [0,2,0,0,0,0|2,0,0]=4 15672 B15R0.164 NC(=O)NCCOCCCCCCCCO 34a_100000181757_100000033203 [0,2,0,0,0,0|2,0,0]=4 15673 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_100000033203_200000034859 [0,2,0,0,0,0|2,0,0]=4 15674 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_200000034859_100000033203 [0,2,0,0,0,0|2,0,0]=4 15675 B15R0.164 NC(=O)OCCNCCCCCCCCO 34a_102515433106_200011214921 [0,2,0,0,0,0|1,0,0]=3 15676 B15R0.164 NC(=O)OCCOCCCCCCCCBr 34a_100009813846_200011214921 [0,2,0,0,0,0|1,0,0]=3 15677 B15R0.164 NC(=O)OCCOCCCCCCCCBr 7a_100009813846_200011214921 [0,2,0,0,0,0|1,0,0]=3 15678 B15R0.164 NC(=O)OCCOCCCCCCCCCl 34a_100000033203_200011214921 [0,2,0,0,0,0|1,0,0]=3 15679 B15R0.164 NC(=O)OCCOCCCCCCCCCl 7a_100000033203_200011214921 [0,2,0,0,0,0|1,0,0]=3 15680 B15R0.164 NC(=O)OCCOCCCCCCCCO 7a_100000766696_100000033203 [0,2,0,0,0,0|1,0,0]=3 15681 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_100000033203_200011214921 [0,2,0,0,0,0|1,0,0]=3 15682 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_200011214921_100000033203 [0,2,0,0,0,0|1,0,0]=3 15683 B15R0.164 NCCCCCCCCCCOCC(=O)N 34a_100000066964_100000187820 [0,2,0,0,0,0|1,0,0]=3 15684 B15R0.164 NCCCCCCCCCCOCC(=O)[O-] 34a_100000066964_100020667443 [0,2,0,0,0,0|1,0,0]=3 15685 B15R0.164 NCCCCCCCCCCOC[N+](=O)[O-] 34a_100000066964_100000761209 [0,2,0,0,0,0|2,0,0]=4 15686 B15R0.164 NCCCCCCCCCOCCC(=O)N 34a_100000078944_100000731001 [0,2,0,0,0,0|2,0,0]=4 15687 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [0,2,0,0,0,0|2,0,0]=4 15688 B15R0.164 NCCCCCCCCOCCOC(=O)N 34a_102515433106_200011214921 [0,2,0,0,0,0|1,0,0]=3 15689 B15R0.164 NCCCCCCCOCCOCC(=O)N 34a_100011996573_100000076697 [0,2,0,0,0,0|2,0,0]=4 15690 B15R0.164 NCCCCCCOCCCCCC(=O)N 34a_100000686447_100009817443 [0,2,0,0,0,0|2,0,0]=4 15691 B15R0.164 NCCCCCCOCCCCO[N+](=O)[O-] 34a_100000686447_100015694321 [0,2,0,0,0,0|2,0,0]=4 15692 B15R0.164 NCCNCCCCCOCCOC(=O)N 34a_103619048469_200011214921 [0,2,0,0,0,0|2,0,0]=4 15693 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [0,2,0,0,0,0|2,0,0]=4 15694 B15R0.164 O=C(O)COCCNCCCCCCCO 269956a_100000700818_100000760002 [0,2,0,0,0,0|2,0,0]=4 15695 B15R0.164 O=C(O)CONCCCCCCCCCO 269956a_100000106656_100009813782 [0,2,0,0,0,0|2,0,0]=4 15696 B15R0.164 O=C([O-])CCCCCOCCCCCCF 7a_100102619762_100015922095 [0,2,0,0,0,0|2,0,0]=4 15697 B15R0.164 O=C([O-])CCCCCOCCCCCCO 7a_100102619762_100000766143 [0,2,0,0,0,0|2,0,0]=4 15698 B15R0.164 O=C([O-])CNCCCCCCCCCCO 34a_100000066964_100020667443 [0,2,0,0,0,0|2,0,0]=4 15699 B15R0.164 O=C([O-])COCCCCCCCCCCBr 34a_100009813290_100020667443 [0,2,0,0,0,0|1,0,0]=3 15700 B15R0.164 O=C([O-])COCCCCCCCCCCCl 34a_200000033068_100020667443 [0,2,0,0,0,0|1,0,0]=3 15701 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100009813290_100020667443 [0,2,0,0,0,0|1,1,0]=4 15702 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100020667443_200000033068 [0,2,0,0,0,0|1,1,0]=4 15703 B15R0.164 O=[N+]([O-])COCCCCCCCCCCBr 34a_100009813290_100000761209 [0,2,0,0,0,0|2,0,0]=4 15704 B15R0.164 O=[N+]([O-])COCCCCCCCCCCCl 34a_200000033068_100000761209 [0,2,0,0,0,0|2,0,0]=4 15705 B15R0.164 O=[N+]([O-])OCCCCNCCCCCCO 34a_100000686447_100015694321 [0,2,0,0,0,0|2,0,0]=4 15706 B15R0.164 O=[N+]([O-])OCCCCOCCCCCCBr 34a_100011215345_100015694321 [0,2,0,0,0,0|2,0,0]=4 15707 B15R0.164 O=[N+]([O-])OCCCCOCCCCCCBr 7a_100011215345_100015694321 [0,2,0,0,0,0|2,0,0]=4 15708 B15R0.164 O=[N+]([O-])OCCCCOCCCCCCCl 34a_100000766143_100015694321 [0,2,0,0,0,0|2,0,0]=4 15709 B15R0.164 O=[N+]([O-])OCCCCOCCCCCCCl 7a_100000766143_100015694321 [0,2,0,0,0,0|2,0,0]=4 15710 B15R0.164 O=[N+]([O-])OCCCCOCCCCCCF 34a_100000732779_100015694321 [0,2,0,0,0,0|2,0,0]=4 15711 B15R0.164 O=[N+]([O-])OCCCCOCCCCCCF 7a_100000732779_100015694321 [0,2,0,0,0,0|2,0,0]=4 15712 B15R0.164 O=[N+]([O-])OCCCCSCCCCCCF 62a_100015922095_100015694321 [0,2,0,0,0,0|2,0,0]=4 15713 B15R0.164 O=[N+]([O-])OCCCCSCCCCCCO 62a_100000766143_100015694321 [0,2,0,0,0,0|2,0,0]=4 15714 B15R0.210 C=C(C)CCOCCCCC(C)CCCC 34a_200011021034_100000730704 [0,2,0,0,0,0|2,0,0]=4 15715 B15R0.210 C=C(C)CCOCCCCC(C)CCCC 7a_200011021034_100000730704 [0,2,0,0,0,0|2,0,0]=4 15716 B15R0.210 C=CCCC(C)OCCCCCOC(=O)C 34a_100000765329_100000033007 [0,2,0,0,0,0|0,0,2]=4 15717 B15R0.210 C=CCCC(C)OCCCCCOC(=O)C 7a_100000765329_100000033007 [0,2,0,0,0,0|0,0,2]=4 15718 B15R0.210 CC(=O)OCCCCCOC(C)CCCCl 34a_200000718107_100000033007 [0,2,0,0,0,0|1,0,0]=3 15719 B15R0.210 CC(=O)OCCCCCOC(C)CCCCl 7a_200000718107_100000033007 [0,2,0,0,0,0|1,0,0]=3 15720 B15R0.210 CC(=O)OCCCCNC[C@H](C)CCCO 34a_100160569302_100000033659 [0,2,0,0,0,0|1,0,0]=3 15721 B15R0.210 CC(=O)OCCOCCOC(C)CCCCl 34a_200000718107_200000083610 [0,2,0,0,0,0|2,0,0]=4 15722 B15R0.210 CC(=O)OCCOCCOC(C)CCCCl 7a_200000718107_200000083610 [0,2,0,0,0,0|2,0,0]=4 15723 B15R0.210 CC(=O)OCCOCNC[C@H](C)CCCO 34a_100160569302_100000076355 [0,2,0,0,0,0|2,0,0]=4 15724 B15R0.210 CC(=O)SCCCCNC[C@H](C)CCCO 2230a_100160569302_200010402107 [0,2,0,0,0,0|1,1,0]=4 15725 B15R0.210 CC(=O)SCCCCNC[C@H](C)CCCO 34a_100160569302_200010402107 [0,2,0,0,0,0|1,1,0]=4 15726 B15R0.210 CCC#CC(C)OCCCCCOC(=O)C 34a_100000033903_100000033007 [0,2,0,0,0,0|0,0,2]=4 15727 B15R0.210 CCC#CC(C)OCCCCCOC(=O)C 7a_100000033903_100000033007 [0,2,0,0,0,0|0,0,2]=4 15728 B15R0.210 CCCCC(=O)NCCCCCNC(=O)C 1626a_200012022750_100000210183 [0,2,0,0,0,0|1,0,1]=4 15729 B15R0.210 CCCCC(=O)NCCCCCNC(=O)C 240690a_200012022750_100000210183 [0,2,0,0,0,0|1,0,1]=4 15730 B15R0.210 CCCCC(=O)NCCCCCNC(=O)C 527a_200012022750_100000210183 [0,2,0,0,0,0|1,0,1]=4 15731 B15R0.210 CCCCC(C)CCCCOCC=C(C)C 34a_200011021034_100000761012 [0,2,0,0,0,0|2,0,0]=4 15732 B15R0.210 CCCCC(C)CCCCOCC=C(C)C 7a_200011021034_100000761012 [0,2,0,0,0,0|2,0,0]=4 15733 B15R0.210 CCCCC(C)CCCCOCCC(=O)C 7a_200011021034_100000053229 [0,2,0,0,0,0|1,0,0]=3 15734 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 34a_200011021034_100000731001 [0,2,0,0,0,0|2,0,0]=4 15735 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 7a_200011021034_100000744528 [0,2,0,0,0,0|2,0,0]=4 15736 B15R0.210 CCCCC(C)CCCCOCOC(=O)C 34a_200011021034_100009813279 [0,2,0,0,0,0|0,0,0]=2 15737 B15R0.210 CCCCC(C)CCCCOCOC(C)C 34a_200011021034_100000709892 [0,2,0,0,0,0|1,0,1]=4 15738 B15R0.210 CCCCC(C)COCCCCCC(=O)N 34a_100011995851_100009817443 [0,2,0,0,0,0|2,0,0]=4 15739 B15R0.210 CCCCC(C)COCCCCCC(=O)N 7a_100011995851_100009817443 [0,2,0,0,0,0|2,0,0]=4 15740 B15R0.210 CCCCC(C)COCCCCOC(=O)C 34a_100011995851_100000033659 [0,2,0,0,0,0|0,0,0]=2 15741 B15R0.210 CCCCC(C)COCCCCOC(=O)C 7a_100011995851_100000033659 [0,2,0,0,0,0|0,0,0]=2 15742 B15R0.210 CCCCC(C)COCCCCO[N+](=O)[O-] 34a_100011995851_100015694321 [0,2,0,0,0,0|2,0,0]=4 15743 B15R0.210 CCCCC(C)COCCCCO[N+](=O)[O-] 7a_100011995851_100015694321 [0,2,0,0,0,0|2,0,0]=4 15744 B15R0.210 CCCCC(C)COCCCCSC(=O)C 34a_100011995851_200010402107 [0,2,0,0,0,0|0,1,0]=3 15745 B15R0.210 CCCCC(C)COCCCCSC(=O)C 7a_100011995851_200010402107 [0,2,0,0,0,0|0,1,0]=3 15746 B15R0.210 CCCCC(C)COCOCCOC(=O)C 34a_100011995851_100000076355 [0,2,0,0,0,0|1,0,0]=3 15747 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 2230a_200012022750_200011215066 [0,2,0,0,0,0|1,0,0]=3 15748 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000210087 [0,2,0,0,0,0|1,0,0]=3 15749 B15R0.210 CCCCC(C)NCCCCCNC(=O)C 34a_200012022750_200011215066 [0,2,0,0,0,0|1,0,0]=3 15750 B15R0.210 CCCCC(C)NCCCCCOC(=O)C 2230a_100000126638_100009813381 [0,2,0,0,0,0|0,0,0]=2 15751 B15R0.210 CCCCC(C)NCCOCCOC(=O)C 2230a_100000126638_200000083610 [0,2,0,0,0,0|1,0,0]=3 15752 B15R0.210 CCCCC(C)OCCCCCOC(=O)C 34a_100000687866_100000033007 [0,2,0,0,0,0|0,0,0]=2 15753 B15R0.210 CCCCC(C)OCCCCCOC(=O)C 7a_100000687866_100000033007 [0,2,0,0,0,0|0,0,0]=2 15754 B15R0.210 CCCCC(C)OCCOCCOC(=O)C 34a_100000687866_200000083610 [0,2,0,0,0,0|1,0,0]=3 15755 B15R0.210 CCCCC(C)OCCOCCOC(=O)C 7a_100000687866_200000083610 [0,2,0,0,0,0|1,0,0]=3 15756 B15R0.210 CCCCC(C)SCCCCCOC(=O)C 62a_100000033007_200011215066 [0,2,0,0,0,0|0,0,0]=2 15757 B15R0.210 CCCCC(C)SCCCCCOC(=O)C 62a_200011215066_100000033007 [0,2,0,0,0,0|0,0,0]=2 15758 B15R0.210 CCCCC(C)SCCOCCOC(=O)C 62a_200000083610_200011215066 [0,2,0,0,0,0|1,0,0]=3 15759 B15R0.210 CCCCC(C)SCCOCCOC(=O)C 62a_200011215066_200000083610 [0,2,0,0,0,0|1,0,0]=3 15760 B15R0.210 CCCC[C@H](N)COCCCCCC(=O)N 34a_100011934283_100009817443 [0,2,0,0,0,0|2,0,0]=4 15761 B15R0.210 CCCC[C@H](N)COCCCCOC(=O)C 34a_100011934283_100000033659 [0,2,0,0,0,0|0,0,0]=2 15762 B15R0.210 CCCC[C@H](N)COCCCCO[N+](=O)[O-] 34a_100011934283_100015694321 [0,2,0,0,0,0|2,0,0]=4 15763 B15R0.210 CCCC[C@H](N)COCCCCSC(=O)C 34a_100011934283_200010402107 [0,2,0,0,0,0|0,1,0]=3 15764 B15R0.210 CCCC[C@H](N)COCOCCOC(=O)C 34a_100011934283_100000076355 [0,2,0,0,0,0|1,0,0]=3 15765 B15R0.210 CCCNC(=O)CCCSCCOC(=O)C 62a_100009814007_100011194427 [0,2,0,0,0,0|1,0,1]=4 15766 B15R0.210 CCCNC(=O)CCCSCCOC(=O)C 62a_100011194427_100009814007 [0,2,0,0,0,0|1,0,1]=4 15767 B15R0.210 CCCNC(=O)COCCCCOC(=O)C 34a_100000073216_100000183358 [0,2,0,0,0,0|1,0,1]=4 15768 B15R0.210 CCCNC(=O)COCCCCOC(=O)C 7a_100000073216_100000183358 [0,2,0,0,0,0|1,0,1]=4 15769 B15R0.210 CCCNC(=O)CSCCCCOC(=O)C 62a_100000033659_100000183358 [0,2,0,0,0,0|1,0,1]=4 15770 B15R0.210 CCCNC(=O)CSCCCCOC(=O)C 62a_100000183358_100000033659 [0,2,0,0,0,0|1,0,1]=4 15771 B15R0.210 CCCOC(=O)COCCCCOC(=O)C 34a_100000073216_200011215008 [0,2,0,0,0,0|1,0,1]=4 15772 B15R0.210 CCCOC(=O)COCCCCOC(=O)C 7a_100000073216_200011215008 [0,2,0,0,0,0|1,0,1]=4 15773 B15R0.210 CCCOC(=O)CSCCCCOC(=O)C 62a_100000033659_200011215008 [0,2,0,0,0,0|1,0,1]=4 15774 B15R0.210 CCCOC(=O)CSCCCCOC(=O)C 62a_200011215008_100000033659 [0,2,0,0,0,0|1,0,1]=4 15775 B15R0.210 CCCOC(C)CNCCCCOC(=O)C 34a_100015185124_100000033659 [0,2,0,0,0,0|1,0,0]=3 15776 B15R0.210 CCCOC(C)CNCCCCSC(=O)C 2230a_100015185124_200010402107 [0,2,0,0,0,0|1,1,0]=4 15777 B15R0.210 CCCOC(C)CNCCCCSC(=O)C 34a_100015185124_200010402107 [0,2,0,0,0,0|1,1,0]=4 15778 B15R0.210 CCCOC(C)CNCOCCOC(=O)C 34a_100015185124_100000076355 [0,2,0,0,0,0|2,0,0]=4 15779 B15R0.210 CCOCC(C)OCCCCCOC(=O)C 34a_100000718985_100000033007 [0,2,0,0,0,0|1,0,0]=3 15780 B15R0.210 CCOCC(C)OCCCCCOC(=O)C 7a_100000718985_100000033007 [0,2,0,0,0,0|1,0,0]=3 15781 B15R0.210 CCOCC(C)OCCOCCOC(=O)C 34a_100000718985_200000083610 [0,2,0,0,0,0|2,0,0]=4 15782 B15R0.210 CCOCC(C)OCCOCCOC(=O)C 7a_100000718985_200000083610 [0,2,0,0,0,0|2,0,0]=4 15783 B15R0.210 CCOCC(O)CNCCCCOC(=O)C 34a_102515437182_100000033659 [0,2,0,0,0,0|1,0,0]=3 15784 B15R0.210 CCOCC(O)CNCCCCSC(=O)C 2230a_102515437182_200010402107 [0,2,0,0,0,0|1,1,0]=4 15785 B15R0.210 CCOCC(O)CNCCCCSC(=O)C 34a_102515437182_200010402107 [0,2,0,0,0,0|1,1,0]=4 15786 B15R0.210 CCOCC(O)CNCOCCOC(=O)C 34a_102515437182_100000076355 [0,2,0,0,0,0|2,0,0]=4 15787 B15R0.210 CCSCC(C)NCCCCCNC(=O)C 270004a_200012022750_200011216171 [0,2,0,0,0,0|2,0,0]=4 15788 B15R0.210 COCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000742357 [0,2,0,0,0,0|2,0,0]=4 15789 B15R0.210 COCO[C@H](C)COCCCCOC(=O)C 34a_100016172286_100000033659 [0,2,0,0,0,0|2,0,0]=4 15790 B15R0.210 COCO[C@H](C)COCCCCOC(=O)C 7a_100016172286_100000033659 [0,2,0,0,0,0|2,0,0]=4 15791 B15R0.210 CSCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100011217047 [0,2,0,0,0,0|2,0,0]=4 15792 B15R0.210 CSCC[C@H](N)COCCCCOC(=O)C 34a_100011827619_100000033659 [0,2,0,0,0,0|1,0,0]=3 15793 B15R0.210 CSCC[C@H](N)COCCCCSC(=O)C 34a_100011827619_200010402107 [0,2,0,0,0,0|1,1,0]=4 15794 B15R0.210 CSCC[C@H](N)COCOCCOC(=O)C 34a_100011827619_100000076355 [0,2,0,0,0,0|2,0,0]=4 15795 B15R0.222 C=C(C)CCNCCCCCCNC(=O)C 2230a_200011996284_100000730704 [0,2,0,0,0,0|1,0,1]=4 15796 B15R0.222 C=C(C)CCNCCCCCCNC(=O)C 34a_200011996284_100000730704 [0,2,0,0,0,0|1,0,1]=4 15797 B15R0.222 C=C(C)CCOCCCCCCCC(C)C 34a_200000210741_100000730704 [0,2,0,0,0,0|2,0,0]=4 15798 B15R0.222 C=C(C)CCOCCCCCCCC(C)C 7a_200000210741_100000730704 [0,2,0,0,0,0|2,0,0]=4 15799 B15R0.222 CC(=CCCNCCCCCCC(C)C)C 2230a_100000211014_100011217483 [0,2,0,0,0,0|2,0,0]=4 15800 B15R0.222 CC(=CCCNCCCCCCC(C)C)C 34a_100000211014_100011217483 [0,2,0,0,0,0|2,0,0]=4 15801 B15R0.222 CC(=CCOCCCCCCCC(C)C)C 34a_200000210741_100000761012 [0,2,0,0,0,0|2,0,0]=4 15802 B15R0.222 CC(=CCOCCCCCCCC(C)C)C 7a_200000210741_100000761012 [0,2,0,0,0,0|2,0,0]=4 15803 B15R0.222 CC(=O)CCCCCCCCCCC(=O)N 1458a_100000070787_200010167045 [0,2,0,0,0,0|1,0,1]=4 15804 B15R0.222 CC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100009817362 [0,2,0,0,0,0|1,0,0]=3 15805 B15R0.222 CC(=O)CCCCNCCCCNC(=O)C 34a_200011368371_100009817362 [0,2,0,0,0,0|1,0,1]=4 15806 B15R0.222 CC(=O)CCCCNCCCOCC(C)C 34a_100000205972_100009817362 [0,2,0,0,0,0|2,0,0]=4 15807 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100009817362 [0,2,0,0,0,0|1,0,0]=3 15808 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000735457 [0,2,0,0,0,0|1,0,0]=3 15809 B15R0.222 CC(=O)CCCCOCCCCNC(C)C 34a_100011521146_100009817362 [0,2,0,0,0,0|2,0,0]=4 15810 B15R0.222 CC(=O)CCCCOCCCCOC(=O)C 34a_100000073216_100009817362 [0,2,0,0,0,0|0,0,1]=3 15811 B15R0.222 CC(=O)CCCCOCCCCOC(=O)C 7a_100000073216_100000735457 [0,2,0,0,0,0|0,0,1]=3 15812 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000735457 [0,2,0,0,0,0|1,0,0]=3 15813 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000735457_100000210682 [0,2,0,0,0,0|1,0,0]=3 15814 B15R0.222 CC(=O)CCCCSCCCCOC(=O)C 62a_100000033659_100000735457 [0,2,0,0,0,0|0,0,1]=3 15815 B15R0.222 CC(=O)CCCCSCCCCOC(=O)C 62a_100000735457_100000033659 [0,2,0,0,0,0|0,0,1]=3 15816 B15R0.222 CC(=O)CCCCSCCCCSC(=O)C 62a_100000735457_200010402107 [0,2,0,0,0,0|0,1,1]=4 15817 B15R0.222 CC(=O)CCCCSCCCCSC(=O)C 62a_200010402107_100000735457 [0,2,0,0,0,0|0,1,1]=4 15818 B15R0.222 CC(=O)CCCCSCOCCOC(=O)C 62a_100000076355_100000735457 [0,2,0,0,0,0|1,0,1]=4 15819 B15R0.222 CC(=O)CCCCSCOCCOC(=O)C 62a_100000735457_100000076355 [0,2,0,0,0,0|1,0,1]=4 15820 B15R0.222 CC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000685027 [0,2,0,0,0,0|1,0,0]=3 15821 B15R0.222 CC(=O)CCCNCCCCCNC(=O)C 34a_200012022750_100000685027 [0,2,0,0,0,0|1,0,1]=4 15822 B15R0.222 CC(=O)CCCOCCCCCNC(C)C 34a_100011629493_100000685027 [0,2,0,0,0,0|2,0,0]=4 15823 B15R0.222 CC(=O)CCCOCCCCCOC(=O)C 34a_100000759063_100000033007 [0,2,0,0,0,0|0,0,1]=3 15824 B15R0.222 CC(=O)CCCOCCCCCOC(=O)C 7a_100000759063_100000033007 [0,2,0,0,0,0|0,0,1]=3 15825 B15R0.222 CC(=O)CCCOCCOCCOC(=O)C 34a_100000759063_200000083610 [0,2,0,0,0,0|1,0,1]=4 15826 B15R0.222 CC(=O)CCCOCCOCCOC(=O)C 7a_100000759063_200000083610 [0,2,0,0,0,0|1,0,1]=4 15827 B15R0.222 CC(=O)CCCSCCCCCOC(=O)C 62a_100000033007_100011215641 [0,2,0,0,0,0|0,0,1]=3 15828 B15R0.222 CC(=O)CCCSCCCCCOC(=O)C 62a_100011215641_100000033007 [0,2,0,0,0,0|0,0,1]=3 15829 B15R0.222 CC(=O)CCCSCCOCCOC(=O)C 62a_100011215641_200000083610 [0,2,0,0,0,0|1,0,1]=4 15830 B15R0.222 CC(=O)CCCSCCOCCOC(=O)C 62a_200000083610_100011215641 [0,2,0,0,0,0|1,0,1]=4 15831 B15R0.222 CC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000053229 [0,2,0,0,0,0|1,0,0]=3 15832 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 2230a_200011996284_100000210312 [0,2,0,0,0,0|1,0,0]=3 15833 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 269862a_200011996284_100000185833 [0,2,0,0,0,0|1,0,0]=3 15834 B15R0.222 CC(=O)NCCCCCCNCCC(C)C 34a_200011996284_100000210312 [0,2,0,0,0,0|1,0,0]=3 15835 B15R0.222 CC(=O)NCCCCCCNCCC(C)O 2230a_200011996284_100012276601 [0,2,0,0,0,0|1,0,0]=3 15836 B15R0.222 CC(=O)NCCCCCCNCCC(C)O 34a_200011996284_100012276601 [0,2,0,0,0,0|1,0,0]=3 15837 B15R0.222 CC(=O)NCCCCCCNCOC(=O)C 34a_200011996284_100009813279 [0,2,0,0,0,0|1,0,1]=4 15838 B15R0.222 CC(=O)NCCCCCCNCOC(C)C 2230a_200011996284_100000709892 [0,2,0,0,0,0|2,0,0]=4 15839 B15R0.222 CC(=O)NCCCCCCNCOC(C)C 34a_200011996284_100000709892 [0,2,0,0,0,0|2,0,0]=4 15840 B15R0.222 CC(=O)NCCCCCNCCCC(C)C 2230a_200012022750_100011214892 [0,2,0,0,0,0|1,0,0]=3 15841 B15R0.222 CC(=O)NCCCCCNCCCC(C)C 34a_200012022750_100011214892 [0,2,0,0,0,0|1,0,0]=3 15842 B15R0.222 CC(=O)NCCCCCNCCCC(C)O 2230a_200012022750_200000718107 [0,2,0,0,0,0|1,0,0]=3 15843 B15R0.222 CC(=O)NCCCCCNCCCC(C)O 34a_200012022750_200000718107 [0,2,0,0,0,0|1,0,0]=3 15844 B15R0.222 CC(=O)NCCCCCNCCOC(=O)C 34a_200012022750_100009814007 [0,2,0,0,0,0|1,0,1]=4 15845 B15R0.222 CC(=O)NCCCCCNCCOC(C)C 2230a_200012022750_100000211751 [0,2,0,0,0,0|2,0,0]=4 15846 B15R0.222 CC(=O)NCCCCCNCCOC(C)C 34a_200012022750_100000211751 [0,2,0,0,0,0|2,0,0]=4 15847 B15R0.222 CC(=O)NCCCCCNCCSC(C)C 2230a_200012022750_100000730970 [0,2,0,0,0,0|2,0,0]=4 15848 B15R0.222 CC(=O)NCCCCCNCCSC(C)C 34a_200012022750_100000730970 [0,2,0,0,0,0|2,0,0]=4 15849 B15R0.222 CC(=O)NCCCCNCCCCC(C)C 2230a_200011368371_100011216152 [0,2,0,0,0,0|1,0,0]=3 15850 B15R0.222 CC(=O)NCCCCNCCCCC(C)C 34a_200011368371_100011216152 [0,2,0,0,0,0|1,0,0]=3 15851 B15R0.222 CC(=O)NCCCCNCCCOC(=O)C 34a_200011368371_100000042594 [0,2,0,0,0,0|1,0,1]=4 15852 B15R0.222 CC(=O)NCCCNCCCCCC(C)C 34a_100000736810_100000210682 [0,2,0,0,0,0|1,0,0]=3 15853 B15R0.222 CC(=O)NCCCNCCCCOC(=O)C 34a_100000736810_100000033659 [0,2,0,0,0,0|1,0,1]=4 15854 B15R0.222 CC(=O)NCCCOCCCCCC(C)C 34a_100000752032_100000210682 [0,2,0,0,0,0|1,0,0]=3 15855 B15R0.222 CC(=O)NCCCOCCCCOC(=O)C 34a_100000752032_100000033659 [0,2,0,0,0,0|1,0,1]=4 15856 B15R0.222 CC(=O)NCCNCCCCCCC(C)C 2230a_100000211014_100000189650 [0,2,0,0,0,0|1,0,0]=3 15857 B15R0.222 CC(=O)NCCNCCCCCOC(=O)C 2230a_100000209853_100009813381 [0,2,0,0,0,0|1,0,1]=4 15858 B15R0.222 CC(=O)NCCOCCCCCOC(=O)C 34a_100000158858_100000033007 [0,2,0,0,0,0|1,0,1]=4 15859 B15R0.222 CC(=O)NCCSCCCCCOC(=O)C 62a_100000033007_100000189650 [0,2,0,0,0,0|1,0,1]=4 15860 B15R0.222 CC(=O)NCCSCCCCCOC(=O)C 62a_100000189650_100000033007 [0,2,0,0,0,0|1,0,1]=4 15861 B15R0.222 CC(=O)OCCCCCNCCCC(=O)N 34a_100000739312_100000033007 [0,2,0,0,0,0|1,0,1]=4 15862 B15R0.222 CC(=O)OCCCCCNCCCC(C)C 2230a_200000737386_100009813381 [0,2,0,0,0,0|0,0,0]=2 15863 B15R0.222 CC(=O)OCCCCCNCCCC(C)C 34a_200000737386_100000033007 [0,2,0,0,0,0|0,0,0]=2 15864 B15R0.222 CC(=O)OCCCCCNCCCS(=O)C 2230a_200000753449_100009813381 [0,2,0,0,0,0|1,0,0]=3 15865 B15R0.222 CC(=O)OCCCCCNCCOC(C)C 2230a_100000701111_100009813381 [0,2,0,0,0,0|1,0,0]=3 15866 B15R0.222 CC(=O)OCCCCCNCCOC(C)C 34a_100000701111_100000033007 [0,2,0,0,0,0|1,0,0]=3 15867 B15R0.222 CC(=O)OCCCCCNCCSC(C)C 2230a_100000731138_100009813381 [0,2,0,0,0,0|1,0,0]=3 15868 B15R0.222 CC(=O)OCCCCCNCCSC(C)C 34a_100000731138_100000033007 [0,2,0,0,0,0|1,0,0]=3 15869 B15R0.222 CC(=O)OCCCCCOCCCC(C)C 34a_100000210774_100000033007 [0,2,0,0,0,0|0,0,0]=2 15870 B15R0.222 CC(=O)OCCCCCOCCCC(C)C 7a_100000210774_100000033007 [0,2,0,0,0,0|0,0,0]=2 15871 B15R0.222 CC(=O)OCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000033007 [0,2,0,0,0,0|2,0,0]=4 15872 B15R0.222 CC(=O)OCCCCCOCCNC(C)C 34a_100000224655_100000033007 [0,2,0,0,0,0|1,0,0]=3 15873 B15R0.222 CC(=O)OCCCCCOCCOC(C)C 34a_100000211219_100000033007 [0,2,0,0,0,0|1,0,0]=3 15874 B15R0.222 CC(=O)OCCCCCOCCOC(C)C 7a_100000211219_100000033007 [0,2,0,0,0,0|1,0,0]=3 15875 B15R0.222 CC(=O)OCCCCCOCCSC(C)C 34a_200011212901_100000033007 [0,2,0,0,0,0|1,0,0]=3 15876 B15R0.222 CC(=O)OCCCCCOCCSC(C)C 7a_200011212901_100000033007 [0,2,0,0,0,0|1,0,0]=3 15877 B15R0.222 CC(=O)OCCCCCSCCC=C(C)C 62a_100000033007_100011217483 [0,2,0,0,0,0|0,0,2]=4 15878 B15R0.222 CC(=O)OCCCCCSCCC=C(C)C 62a_100011217483_100000033007 [0,2,0,0,0,0|0,0,2]=4 15879 B15R0.222 CC(=O)OCCCCCSCCCC(=O)N 62a_100000033007_100102525003 [0,2,0,0,0,0|1,0,1]=4 15880 B15R0.222 CC(=O)OCCCCCSCCCC(=O)N 62a_100102525003_100000033007 [0,2,0,0,0,0|1,0,1]=4 15881 B15R0.222 CC(=O)OCCCCCSCCCC(C)C 62a_100000033007_100011214892 [0,2,0,0,0,0|0,0,0]=2 15882 B15R0.222 CC(=O)OCCCCCSCCCC(C)C 62a_100011214892_100000033007 [0,2,0,0,0,0|0,0,0]=2 15883 B15R0.222 CC(=O)OCCCCCSCCCC(C)O 62a_100000033007_200000718107 [0,2,0,0,0,0|0,0,0]=2 15884 B15R0.222 CC(=O)OCCCCCSCCCC(C)O 62a_200000718107_100000033007 [0,2,0,0,0,0|0,0,0]=2 15885 B15R0.222 CC(=O)OCCCCCSCCCN(C)C 62a_100000033007_100000757444 [0,2,0,0,0,0|1,0,0]=3 15886 B15R0.222 CC(=O)OCCCCCSCCOC(=O)C 62a_100000033007_100009814007 [0,2,0,0,0,0|1,0,1]=4 15887 B15R0.222 CC(=O)OCCCCCSCCOC(=O)C 62a_100009814007_100000033007 [0,2,0,0,0,0|1,0,1]=4 15888 B15R0.222 CC(=O)OCCCCCSCCOC(C)C 62a_100000033007_100000211751 [0,2,0,0,0,0|1,0,0]=3 15889 B15R0.222 CC(=O)OCCCCCSCCOC(C)C 62a_100000211751_100000033007 [0,2,0,0,0,0|1,0,0]=3 15890 B15R0.222 CC(=O)OCCCCCSCCSC(C)C 62a_100000033007_100000730970 [0,2,0,0,0,0|1,0,0]=3 15891 B15R0.222 CC(=O)OCCCCCSCCSC(C)C 62a_100000730970_100000033007 [0,2,0,0,0,0|1,0,0]=3 15892 B15R0.222 CC(=O)OCCCCNCCCCC(=O)N 34a_100000696515_100000033659 [0,2,0,0,0,0|1,0,1]=4 15893 B15R0.222 CC(=O)OCCCCNCCCOC(C)C 34a_100000737246_100000033659 [0,2,0,0,0,0|1,0,0]=3 15894 B15R0.222 CC(=O)OCCCCOCCCCB(O)O 34a_100000073216_200009817182 [0,2,0,0,0,0|2,0,0]=4 15895 B15R0.222 CC(=O)OCCCCOCCCCB(O)O 7a_100000073216_200009817182 [0,2,0,0,0,0|2,0,0]=4 15896 B15R0.222 CC(=O)OCCCCOCCCCC(=O)N 34a_100012022536_100000033659 [0,2,0,0,0,0|1,0,1]=4 15897 B15R0.222 CC(=O)OCCCCOCCCCC(=O)N 7a_100012022536_100000033659 [0,2,0,0,0,0|1,0,1]=4 15898 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 34a_100000073216_100011216152 [0,2,0,0,0,0|0,0,0]=2 15899 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 34a_100011214890_100000033659 [0,2,0,0,0,0|0,0,0]=2 15900 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 7a_100000073216_100011216152 [0,2,0,0,0,0|0,0,0]=2 15901 B15R0.222 CC(=O)OCCCCOCCCCC(C)C 7a_100011214890_100000033659 [0,2,0,0,0,0|0,0,0]=2 15902 B15R0.222 CC(=O)OCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000033659 [0,2,0,0,0,0|2,0,0]=4 15903 B15R0.222 CC(=O)OCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000033659 [0,2,0,0,0,0|2,0,0]=4 15904 B15R0.222 CC(=O)OCCCCOCCCNC(C)C 34a_100000182298_100000033659 [0,2,0,0,0,0|1,0,0]=3 15905 B15R0.222 CC(=O)OCCCCOCCCOC(=O)C 34a_100000073216_100000042594 [0,2,0,0,0,0|1,0,1]=4 15906 B15R0.222 CC(=O)OCCCCOCCCOC(=O)C 7a_100000073216_100000042594 [0,2,0,0,0,0|1,0,1]=4 15907 B15R0.222 CC(=O)OCCCCOCCCOC(=S)C 34a_100000073216_200135323944 [0,2,0,0,0,0|1,0,1]=4 15908 B15R0.222 CC(=O)OCCCCOCCCOC(=S)C 7a_100000073216_200135323944 [0,2,0,0,0,0|1,0,1]=4 15909 B15R0.222 CC(=O)OCCCCOCCCSC(=O)C 34a_100000073216_100000038929 [0,2,0,0,0,0|1,0,1]=4 15910 B15R0.222 CC(=O)OCCCCOCCCSC(=O)C 7a_100000073216_100000038929 [0,2,0,0,0,0|1,0,1]=4 15911 B15R0.222 CC(=O)OCCCCOCCNCC(C)C 34a_100015185251_100000033659 [0,2,0,0,0,0|1,0,0]=3 15912 B15R0.222 CC(=O)OCCCCOCCOCC(C)C 34a_100000703358_100000033659 [0,2,0,0,0,0|1,0,0]=3 15913 B15R0.222 CC(=O)OCCCCOCCOCC(C)C 7a_100000703358_100000033659 [0,2,0,0,0,0|1,0,0]=3 15914 B15R0.222 CC(=O)OCCCCOCCOCC(F)F 34a_100000073216_200012177212 [0,2,0,0,0,0|2,0,0]=4 15915 B15R0.222 CC(=O)OCCCCOCCOCC(F)F 34a_100000704375_100000033659 [0,2,0,0,0,0|2,0,0]=4 15916 B15R0.222 CC(=O)OCCCCOCCOCC(F)F 7a_100000073216_200012177212 [0,2,0,0,0,0|2,0,0]=4 15917 B15R0.222 CC(=O)OCCCCOCCOCC(F)F 7a_100000704375_100000033659 [0,2,0,0,0,0|2,0,0]=4 15918 B15R0.222 CC(=O)OCCCCOCCSCC(C)C 34a_200000230437_100000033659 [0,2,0,0,0,0|1,0,0]=3 15919 B15R0.222 CC(=O)OCCCCOCCSCC(C)C 7a_200000230437_100000033659 [0,2,0,0,0,0|1,0,0]=3 15920 B15R0.222 CC(=O)OCCCCSCCCCB(O)O 62a_100000033659_200009817182 [0,2,0,0,0,0|2,0,0]=4 15921 B15R0.222 CC(=O)OCCCCSCCCCB(O)O 62a_200009817182_100000033659 [0,2,0,0,0,0|2,0,0]=4 15922 B15R0.222 CC(=O)OCCCCSCCCCC(C)C 62a_100000033659_100011216152 [0,2,0,0,0,0|0,0,0]=2 15923 B15R0.222 CC(=O)OCCCCSCCCCC(C)C 62a_100011216152_100000033659 [0,2,0,0,0,0|0,0,0]=2 15924 B15R0.222 CC(=O)OCCCCSCCCCN(C)C 62a_100000033659_100000690147 [0,2,0,0,0,0|1,0,0]=3 15925 B15R0.222 CC(=O)OCCCCSCCCOC(=O)C 62a_100000033659_100000042594 [0,2,0,0,0,0|1,0,1]=4 15926 B15R0.222 CC(=O)OCCCCSCCCOC(=O)C 62a_100000042594_100000033659 [0,2,0,0,0,0|1,0,1]=4 15927 B15R0.222 CC(=O)OCCCCSCCCOC(=S)C 62a_100000033659_200135323944 [0,2,0,0,0,0|1,0,1]=4 15928 B15R0.222 CC(=O)OCCCCSCCCOC(=S)C 62a_200135323944_100000033659 [0,2,0,0,0,0|1,0,1]=4 15929 B15R0.222 CC(=O)OCCCCSCCCSC(=O)C 62a_100000033659_100000038929 [0,2,0,0,0,0|1,0,1]=4 15930 B15R0.222 CC(=O)OCCCCSCCCSC(=O)C 62a_100000038929_100000033659 [0,2,0,0,0,0|1,0,1]=4 15931 B15R0.222 CC(=O)OCCCCSCCOCC(F)F 62a_100000033659_200012177212 [0,2,0,0,0,0|2,0,0]=4 15932 B15R0.222 CC(=O)OCCCCSCCOCC(F)F 62a_200012177212_100000033659 [0,2,0,0,0,0|2,0,0]=4 15933 B15R0.222 CC(=O)OCCCNCCCCCC(C)C 34a_100011290863_100000042594 [0,2,0,0,0,0|0,0,0]=2 15934 B15R0.222 CC(=O)OCCCNCCCOCC(C)C 34a_100000205972_100000042594 [0,2,0,0,0,0|1,0,0]=3 15935 B15R0.222 CC(=O)OCCCOCCCCCC(=O)N 34a_100000123541_100000042594 [0,2,0,0,0,0|1,0,1]=4 15936 B15R0.222 CC(=O)OCCCOCCCCCC(=O)N 7a_100000123541_100000042594 [0,2,0,0,0,0|1,0,1]=4 15937 B15R0.222 CC(=O)OCCCOCCCCCC(=O)[O-] 7a_100102619762_100000042594 [0,2,0,0,0,0|1,0,1]=4 15938 B15R0.222 CC(=O)OCCCOCCCCCC(C)C 34a_100011995859_100000042594 [0,2,0,0,0,0|0,0,0]=2 15939 B15R0.222 CC(=O)OCCCOCCCCCC(C)C 7a_100011995859_100000042594 [0,2,0,0,0,0|0,0,0]=2 15940 B15R0.222 CC(=O)OCCCOCCCCNC(C)C 34a_100011521146_100000042594 [0,2,0,0,0,0|1,0,0]=3 15941 B15R0.222 CC(=O)OCCCSCCCCCB(O)O 62a_100000042594_200009817188 [0,2,0,0,0,0|2,0,0]=4 15942 B15R0.222 CC(=O)OCCCSCCCCCB(O)O 62a_200009817188_100000042594 [0,2,0,0,0,0|2,0,0]=4 15943 B15R0.222 CC(=O)OCCCSCCCCCC(=O)N 62a_100000042594_100009817443 [0,2,0,0,0,0|1,0,1]=4 15944 B15R0.222 CC(=O)OCCCSCCCCCC(=O)N 62a_100009817443_100000042594 [0,2,0,0,0,0|1,0,1]=4 15945 B15R0.222 CC(=O)OCCCSCCCCCC(C)C 62a_100000042594_100000210682 [0,2,0,0,0,0|0,0,0]=2 15946 B15R0.222 CC(=O)OCCCSCCCCCC(C)C 62a_100000210682_100000042594 [0,2,0,0,0,0|0,0,0]=2 15947 B15R0.222 CC(=O)OCCCSCCCCSC(=O)C 62a_100000042594_200010402107 [0,2,0,0,0,0|1,0,1]=4 15948 B15R0.222 CC(=O)OCCCSCCCCSC(=O)C 62a_200010402107_100000042594 [0,2,0,0,0,0|1,0,1]=4 15949 B15R0.222 CC(=O)OCCNCCCCCCC(C)C 34a_100000211014_100009814007 [0,2,0,0,0,0|0,0,0]=2 15950 B15R0.222 CC(=O)OCCOCCCCCNC(C)C 34a_100011629493_100009814007 [0,2,0,0,0,0|1,0,0]=3 15951 B15R0.222 CC(=O)OCCOCCNCCCC(C)C 2230a_200000737386_200000083610 [0,2,0,0,0,0|1,0,0]=3 15952 B15R0.222 CC(=O)OCCOCCNCCCC(C)C 34a_200000737386_200000083610 [0,2,0,0,0,0|1,0,0]=3 15953 B15R0.222 CC(=O)OCCOCCNCCCS(=O)C 2230a_200000753449_200000083610 [0,2,0,0,0,0|2,0,0]=4 15954 B15R0.222 CC(=O)OCCOCCNCCOC(C)C 2230a_100000701111_200000083610 [0,2,0,0,0,0|2,0,0]=4 15955 B15R0.222 CC(=O)OCCOCCNCCOC(C)C 34a_100000701111_200000083610 [0,2,0,0,0,0|2,0,0]=4 15956 B15R0.222 CC(=O)OCCOCCNCCSC(C)C 2230a_100000731138_200000083610 [0,2,0,0,0,0|2,0,0]=4 15957 B15R0.222 CC(=O)OCCOCCNCCSC(C)C 34a_100000731138_200000083610 [0,2,0,0,0,0|2,0,0]=4 15958 B15R0.222 CC(=O)OCCOCCOCCCC(C)C 34a_100000210774_200000083610 [0,2,0,0,0,0|1,0,0]=3 15959 B15R0.222 CC(=O)OCCOCCOCCCC(C)C 7a_100000210774_200000083610 [0,2,0,0,0,0|1,0,0]=3 15960 B15R0.222 CC(=O)OCCOCCOCCNC(C)C 34a_100000224655_200000083610 [0,2,0,0,0,0|2,0,0]=4 15961 B15R0.222 CC(=O)OCCOCCOCCOC(C)C 34a_100000211219_200000083610 [0,2,0,0,0,0|2,0,0]=4 15962 B15R0.222 CC(=O)OCCOCCOCCOC(C)C 7a_100000211219_200000083610 [0,2,0,0,0,0|2,0,0]=4 15963 B15R0.222 CC(=O)OCCOCCOCCSC(C)C 34a_200011212901_200000083610 [0,2,0,0,0,0|2,0,0]=4 15964 B15R0.222 CC(=O)OCCOCCOCCSC(C)C 7a_200011212901_200000083610 [0,2,0,0,0,0|2,0,0]=4 15965 B15R0.222 CC(=O)OCCOCCSCCCC(C)C 62a_100011214892_200000083610 [0,2,0,0,0,0|1,0,0]=3 15966 B15R0.222 CC(=O)OCCOCCSCCCC(C)C 62a_200000083610_100011214892 [0,2,0,0,0,0|1,0,0]=3 15967 B15R0.222 CC(=O)OCCOCCSCCCC(C)O 62a_200000083610_200000718107 [0,2,0,0,0,0|1,0,0]=3 15968 B15R0.222 CC(=O)OCCOCCSCCCC(C)O 62a_200000718107_200000083610 [0,2,0,0,0,0|1,0,0]=3 15969 B15R0.222 CC(=O)OCCOCCSCCCN(C)C 62a_200000083610_100000757444 [0,2,0,0,0,0|2,0,0]=4 15970 B15R0.222 CC(=O)OCCOCCSCCOC(C)C 62a_100000211751_200000083610 [0,2,0,0,0,0|2,0,0]=4 15971 B15R0.222 CC(=O)OCCOCCSCCOC(C)C 62a_200000083610_100000211751 [0,2,0,0,0,0|2,0,0]=4 15972 B15R0.222 CC(=O)OCCOCCSCCSC(C)C 62a_100000730970_200000083610 [0,2,0,0,0,0|2,0,0]=4 15973 B15R0.222 CC(=O)OCCOCCSCCSC(C)C 62a_200000083610_100000730970 [0,2,0,0,0,0|2,0,0]=4 15974 B15R0.222 CC(=O)OCCOCNCCCOC(C)C 34a_100000737246_100000076355 [0,2,0,0,0,0|2,0,0]=4 15975 B15R0.222 CC(=O)OCCOCOCCCCC(C)C 34a_100011214890_100000076355 [0,2,0,0,0,0|1,0,0]=3 15976 B15R0.222 CC(=O)OCCOCOCCCNC(C)C 34a_100000182298_100000076355 [0,2,0,0,0,0|2,0,0]=4 15977 B15R0.222 CC(=O)OCCOCOCCNCC(C)C 34a_100015185251_100000076355 [0,2,0,0,0,0|2,0,0]=4 15978 B15R0.222 CC(=O)OCCOCOCCOCC(C)C 34a_100000703358_100000076355 [0,2,0,0,0,0|2,0,0]=4 15979 B15R0.222 CC(=O)OCCOCOCCSCC(C)C 34a_200000230437_100000076355 [0,2,0,0,0,0|2,0,0]=4 15980 B15R0.222 CC(=O)OCCOCSCCCCC(C)C 62a_100000076355_100011216152 [0,2,0,0,0,0|1,0,0]=3 15981 B15R0.222 CC(=O)OCCOCSCCCCC(C)C 62a_100011216152_100000076355 [0,2,0,0,0,0|1,0,0]=3 15982 B15R0.222 CC(=O)OCCOCSCCCCN(C)C 62a_100000076355_100000690147 [0,2,0,0,0,0|2,0,0]=4 15983 B15R0.222 CC(=O)OCCSCCCCCCB(O)O 62a_100009814007_100009817187 [0,2,0,0,0,0|2,0,0]=4 15984 B15R0.222 CC(=O)OCCSCCCCCCB(O)O 62a_100009817187_100009814007 [0,2,0,0,0,0|2,0,0]=4 15985 B15R0.222 CC(=O)OCOCCCCCCCC(C)C 34a_200000210741_100009813279 [0,2,0,0,0,0|0,0,0]=2 15986 B15R0.222 CC(=O)SCCCCCCNCCC(C)C 269862a_100000704104_100000185833 [0,2,0,0,0,0|0,1,0]=3 15987 B15R0.222 CC(=O)SCCCCNCCCOC(C)C 2230a_100000737246_200010402107 [0,2,0,0,0,0|1,1,0]=4 15988 B15R0.222 CC(=O)SCCCCNCCCOC(C)C 34a_100000737246_200010402107 [0,2,0,0,0,0|1,1,0]=4 15989 B15R0.222 CC(=O)SCCCCOCCCCC(C)C 34a_100011214890_200010402107 [0,2,0,0,0,0|0,1,0]=3 15990 B15R0.222 CC(=O)SCCCCOCCCCC(C)C 7a_100011214890_200010402107 [0,2,0,0,0,0|0,1,0]=3 15991 B15R0.222 CC(=O)SCCCCOCCCNC(C)C 34a_100000182298_200010402107 [0,2,0,0,0,0|1,1,0]=4 15992 B15R0.222 CC(=O)SCCCCOCCNCC(C)C 34a_100015185251_200010402107 [0,2,0,0,0,0|1,1,0]=4 15993 B15R0.222 CC(=O)SCCCCOCCOCC(C)C 34a_100000703358_200010402107 [0,2,0,0,0,0|1,1,0]=4 15994 B15R0.222 CC(=O)SCCCCOCCOCC(C)C 7a_100000703358_200010402107 [0,2,0,0,0,0|1,1,0]=4 15995 B15R0.222 CC(=O)SCCCCOCCSCC(C)C 34a_200000230437_200010402107 [0,2,0,0,0,0|1,1,0]=4 15996 B15R0.222 CC(=O)SCCCCOCCSCC(C)C 7a_200000230437_200010402107 [0,2,0,0,0,0|1,1,0]=4 15997 B15R0.222 CC(=O)SCCCCSCCCCC(C)C 62a_100011216152_200010402107 [0,2,0,0,0,0|0,1,0]=3 15998 B15R0.222 CC(=O)SCCCCSCCCCC(C)C 62a_200010402107_100011216152 [0,2,0,0,0,0|0,1,0]=3 15999 B15R0.222 CC(=O)SCCCCSCCCCN(C)C 62a_200010402107_100000690147 [0,2,0,0,0,0|1,1,0]=4 16000 B15R0.222 CC(=O)SCCCNCCCCCC(C)C 2230a_100011290863_100000038929 [0,2,0,0,0,0|0,1,0]=3 16001 B15R0.222 CC(=O)SCCCNCCCCCC(C)C 34a_100011290863_100000038929 [0,2,0,0,0,0|0,1,0]=3 16002 B15R0.222 CC(=O)SCCCNCCCOCC(C)C 2230a_100000205972_100000038929 [0,2,0,0,0,0|1,1,0]=4 16003 B15R0.222 CC(=O)SCCCNCCCOCC(C)C 34a_100000205972_100000038929 [0,2,0,0,0,0|1,1,0]=4 16004 B15R0.222 CC(=O)SCCCOCCCCCC(C)C 34a_100011995859_100000038929 [0,2,0,0,0,0|0,1,0]=3 16005 B15R0.222 CC(=O)SCCCOCCCCCC(C)C 7a_100011995859_100000038929 [0,2,0,0,0,0|0,1,0]=3 16006 B15R0.222 CC(=O)SCCCOCCCCNC(C)C 34a_100011521146_100000038929 [0,2,0,0,0,0|1,1,0]=4 16007 B15R0.222 CC(=O)SCCCSCCCCCC(C)C 62a_100000038929_100000210682 [0,2,0,0,0,0|0,1,0]=3 16008 B15R0.222 CC(=O)SCCCSCCCCCC(C)C 62a_100000210682_100000038929 [0,2,0,0,0,0|0,1,0]=3 16009 B15R0.222 CC(=S)OCCCNCCCCCC(C)C 2230a_100011290863_200135323944 [0,2,0,0,0,0|0,1,0]=3 16010 B15R0.222 CC(=S)OCCCNCCCCCC(C)C 34a_100011290863_200135323944 [0,2,0,0,0,0|0,1,0]=3 16011 B15R0.222 CC(=S)OCCCNCCCOCC(C)C 2230a_100000205972_200135323944 [0,2,0,0,0,0|1,1,0]=4 16012 B15R0.222 CC(=S)OCCCNCCCOCC(C)C 34a_100000205972_200135323944 [0,2,0,0,0,0|1,1,0]=4 16013 B15R0.222 CC(=S)OCCCOCCCCCC(C)C 34a_100011995859_200135323944 [0,2,0,0,0,0|0,1,0]=3 16014 B15R0.222 CC(=S)OCCCOCCCCCC(C)C 7a_100011995859_200135323944 [0,2,0,0,0,0|0,1,0]=3 16015 B15R0.222 CC(=S)OCCCOCCCCNC(C)C 34a_100011521146_200135323944 [0,2,0,0,0,0|1,1,0]=4 16016 B15R0.222 CC(=S)OCCCSCCCCCC(C)C 62a_100000210682_200135323944 [0,2,0,0,0,0|0,1,0]=3 16017 B15R0.222 CC(=S)OCCCSCCCCCC(C)C 62a_200135323944_100000210682 [0,2,0,0,0,0|0,1,0]=3 16018 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 34a_200000210741_100000731001 [0,2,0,0,0,0|2,0,0]=4 16019 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 7a_200000210741_100000744528 [0,2,0,0,0,0|2,0,0]=4 16020 B15R0.222 CC(C)CCCCCCCOCOC(C)C 34a_200000210741_100000709892 [0,2,0,0,0,0|1,0,1]=4 16021 B15R0.222 CC(C)CCCCCCNCCCC(=O)N 34a_100000211014_100102525003 [0,2,0,0,0,0|2,0,0]=4 16022 B15R0.222 CC(C)CCCCCCNCCNC(=O)N 2230a_100000211014_200000034859 [0,2,0,0,0,0|2,0,0]=4 16023 B15R0.222 CC(C)CCCCCCNCCOC(=O)N 34a_100000211014_200011214921 [0,2,0,0,0,0|1,0,0]=3 16024 B15R0.222 CC(C)CCCCCCNCCOC(C)C 2230a_100000211014_100000211751 [0,2,0,0,0,0|1,0,1]=4 16025 B15R0.222 CC(C)CCCCCCNCCOC(C)C 34a_100000211014_100000211751 [0,2,0,0,0,0|1,0,1]=4 16026 B15R0.222 CC(C)CCCCCNCCCCC(=O)N 34a_100000696515_100000210682 [0,2,0,0,0,0|2,0,0]=4 16027 B15R0.222 CC(C)CCCCCNCCCOC(C)C 2230a_100000737246_100000210682 [0,2,0,0,0,0|1,0,1]=4 16028 B15R0.222 CC(C)CCCCCNCCCOC(C)C 34a_100000737246_100000210682 [0,2,0,0,0,0|1,0,1]=4 16029 B15R0.222 CC(C)CCCCCNCCOCC(=O)N 2230a_100011290863_100000076697 [0,2,0,0,0,0|2,0,0]=4 16030 B15R0.222 CC(C)CCCCCNCCOCC(=O)N 34a_100011290863_100000076697 [0,2,0,0,0,0|2,0,0]=4 16031 B15R0.222 CC(C)CCCCCNCCOCC(=O)O 269956a_100000700818_100000210682 [0,2,0,0,0,0|2,0,0]=4 16032 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 34a_100012022536_100000210682 [0,2,0,0,0,0|2,0,0]=4 16033 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 7a_100012022536_100000210682 [0,2,0,0,0,0|2,0,0]=4 16034 B15R0.222 CC(C)CCCCCOCCOCC(=O)N 34a_100011995859_100000076697 [0,2,0,0,0,0|2,0,0]=4 16035 B15R0.222 CC(C)CCCCCOCCOCC(=O)N 7a_100011995859_100000076697 [0,2,0,0,0,0|2,0,0]=4 16036 B15R0.222 CC(C)CCCCCSCCOCC(=O)N 62a_100000076697_100000210682 [0,2,0,0,0,0|2,0,0]=4 16037 B15R0.222 CC(C)CCCCCSCCOCC(=O)N 62a_100000210682_100000076697 [0,2,0,0,0,0|2,0,0]=4 16038 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100000123541_100011216152 [0,2,0,0,0,0|2,0,0]=4 16039 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100011214890_100009817443 [0,2,0,0,0,0|2,0,0]=4 16040 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100000123541_100011216152 [0,2,0,0,0,0|2,0,0]=4 16041 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100011214890_100009817443 [0,2,0,0,0,0|2,0,0]=4 16042 B15R0.222 CC(C)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011216152 [0,2,0,0,0,0|2,0,0]=4 16043 B15R0.222 CC(C)CCCCOCCCCO[N+](=O)[O-] 34a_100011214890_100015694321 [0,2,0,0,0,0|2,0,0]=4 16044 B15R0.222 CC(C)CCCCOCCCCO[N+](=O)[O-] 7a_100011214890_100015694321 [0,2,0,0,0,0|2,0,0]=4 16045 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100009817443_100011216152 [0,2,0,0,0,0|2,0,0]=4 16046 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100011216152_100009817443 [0,2,0,0,0,0|2,0,0]=4 16047 B15R0.222 CC(C)CCCCSCCCCO[N+](=O)[O-] 62a_100011216152_100015694321 [0,2,0,0,0,0|2,0,0]=4 16048 B15R0.222 CC(C)NCCCCCOCCOC(=O)N 34a_100011629493_200011214921 [0,2,0,0,0,0|2,0,0]=4 16049 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 2230a_100102631434_200010167045 [0,2,0,0,0,0|2,0,0]=4 16050 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 269982a_100102631434_200010167045 [0,2,0,0,0,0|2,0,0]=4 16051 B15R0.3212 C#CC(CCC)OCCCCCOC(=O)C 34a_200011217317_100000033007 [0,2,0,0,0,0|1,0,0]=3 16052 B15R0.3212 C#CC(CCC)OCCCCCOC(=O)C 7a_200011217317_100000033007 [0,2,0,0,0,0|1,0,0]=3 16053 B15R0.3212 C#CC(CCC)OCCOCCOC(=O)C 34a_200011217317_200000083610 [0,2,0,0,0,0|2,0,0]=4 16054 B15R0.3212 C#CC(CCC)OCCOCCOC(=O)C 7a_200011217317_200000083610 [0,2,0,0,0,0|2,0,0]=4 16055 B15R0.3212 C=CC(CCC)OCCCCCOC(=O)C 34a_100011216692_100000033007 [0,2,0,0,0,0|1,0,0]=3 16056 B15R0.3212 C=CC(CCC)OCCCCCOC(=O)C 7a_100011216692_100000033007 [0,2,0,0,0,0|1,0,0]=3 16057 B15R0.3212 C=CC(CCC)OCCOCCOC(=O)C 34a_100011216692_200000083610 [0,2,0,0,0,0|2,0,0]=4 16058 B15R0.3212 C=CC(CCC)OCCOCCOC(=O)C 7a_100011216692_200000083610 [0,2,0,0,0,0|2,0,0]=4 16059 B15R0.3212 CCC(COC)NCCCCCOC(=O)C 2230a_100000757820_100009813381 [0,2,0,0,0,0|2,0,0]=4 16060 B15R0.3212 CCC(COC)OCCCCCOC(=O)C 7a_200011214946_100000033007 [0,2,0,0,0,0|2,0,0]=4 16061 B15R0.3212 CCCC(C#N)OCCCCCOC(=O)C 34a_100000686963_100000033007 [0,2,0,0,0,0|1,0,0]=3 16062 B15R0.3212 CCCC(C#N)OCCCCCOC(=O)C 7a_100000686963_100000033007 [0,2,0,0,0,0|1,0,0]=3 16063 B15R0.3212 CCCC(C#N)OCCOCCOC(=O)C 34a_100000686963_200000083610 [0,2,0,0,0,0|2,0,0]=4 16064 B15R0.3212 CCCC(C#N)OCCOCCOC(=O)C 7a_100000686963_200000083610 [0,2,0,0,0,0|2,0,0]=4 16065 B15R0.3212 CCCC(CC)NCCCCCNC(=O)C 270004a_200012022750_100000687865 [0,2,0,0,0,0|2,0,0]=4 16066 B15R0.3212 CCCC(CC)NCCCCCOC(=O)C 2230a_100000747048_100009813381 [0,2,0,0,0,0|1,0,0]=3 16067 B15R0.3212 CCCC(CC)NCCOCCOC(=O)C 2230a_100000747048_200000083610 [0,2,0,0,0,0|2,0,0]=4 16068 B15R0.3212 CCCC(CC)OCCCCCOC(=O)C 34a_100000687864_100000033007 [0,2,0,0,0,0|1,0,0]=3 16069 B15R0.3212 CCCC(CC)OCCCCCOC(=O)C 7a_100000687864_100000033007 [0,2,0,0,0,0|1,0,0]=3 16070 B15R0.3212 CCCC(CC)OCCOCCOC(=O)C 34a_100000687864_200000083610 [0,2,0,0,0,0|2,0,0]=4 16071 B15R0.3212 CCCC(CC)OCCOCCOC(=O)C 7a_100000687864_200000083610 [0,2,0,0,0,0|2,0,0]=4 16072 B15R0.3212 CCCC(CC)SCCCCCOC(=O)C 62a_100000033007_100011219200 [0,2,0,0,0,0|1,0,0]=3 16073 B15R0.3212 CCCC(CC)SCCCCCOC(=O)C 62a_100011219200_100000033007 [0,2,0,0,0,0|1,0,0]=3 16074 B15R0.3212 CCCC(CC)SCCOCCOC(=O)C 62a_100011219200_200000083610 [0,2,0,0,0,0|2,0,0]=4 16075 B15R0.3212 CCCC(CC)SCCOCCOC(=O)C 62a_200000083610_100011219200 [0,2,0,0,0,0|2,0,0]=4 16076 B15R0.3212 CCCC(CCOCCCCC(=O)C)SC 34a_100000032865_100009817362 [0,2,0,0,0,0|2,0,0]=4 16077 B15R0.3212 CCCC(CCOCCCCC(=O)C)SC 7a_100000032865_100000735457 [0,2,0,0,0,0|2,0,0]=4 16078 B15R0.3212 CCCC(CCOCCCOC(=O)C)SC 34a_100000032865_100000042594 [0,2,0,0,0,0|1,0,0]=3 16079 B15R0.3212 CCCC(CCOCCCOC(=O)C)SC 7a_100000032865_100000042594 [0,2,0,0,0,0|1,0,0]=3 16080 B15R0.3212 CCCC(CCOCCCOC(=S)C)SC 34a_100000032865_200135323944 [0,2,0,0,0,0|1,1,0]=4 16081 B15R0.3212 CCCC(CCOCCCOC(=S)C)SC 7a_100000032865_200135323944 [0,2,0,0,0,0|1,1,0]=4 16082 B15R0.3212 CCCC(CCOCCCSC(=O)C)SC 34a_100000032865_100000038929 [0,2,0,0,0,0|1,1,0]=4 16083 B15R0.3212 CCCC(CCOCCCSC(=O)C)SC 7a_100000032865_100000038929 [0,2,0,0,0,0|1,1,0]=4 16084 B15R0.3212 CCC[C@@H](CO)NCCCCCOC(=O)C 2230a_100000732646_100009813381 [0,2,0,0,0,0|1,0,0]=3 16085 B15R0.3212 CCC[C@@H](CO)NCCCCCOC(=O)C 34a_100000732646_100000033007 [0,2,0,0,0,0|1,0,0]=3 16086 B15R0.3212 CCC[C@@H](CO)NCCOCCOC(=O)C 2230a_100000732646_200000083610 [0,2,0,0,0,0|2,0,0]=4 16087 B15R0.3212 CCC[C@@H](CO)NCCOCCOC(=O)C 34a_100000732646_200000083610 [0,2,0,0,0,0|2,0,0]=4 16088 B15R0.3212 CCOC(CC)CNCCCCOC(=O)C 34a_100015183923_100000033659 [0,2,0,0,0,0|2,0,0]=4 16089 B15R0.3212 COCC(CCl)OCCCCCOC(=O)C 34a_100011215053_100000033007 [0,2,0,0,0,0|2,0,0]=4 16090 B15R0.3212 COCC(CN)OCCCCCOC(=O)C 34a_100000756049_100000033007 [0,2,0,0,0,0|2,0,0]=4 16091 B15R0.3212 COCC(CO)NCCCCCOC(=O)C 2230a_100000724102_100009813381 [0,2,0,0,0,0|2,0,0]=4 16092 B15R0.3212 COCC(CO)NCCCCCOC(=O)C 34a_100000724102_100000033007 [0,2,0,0,0,0|2,0,0]=4 16093 B15R0.4332 CC(=O)OCCCCCOC(C)(C)CCBr 7a_100000702414_100000033007 [0,2,0,0,0,0|2,0,0]=4 16094 B15R0.4332 CCCC(C)(C)COCCCCOC(=O)C 7a_100011995695_100000033659 [0,2,0,0,0,0|1,0,0]=3 16095 B15R0.4332 CCCC(C)(C)COCCCCSC(=O)C 7a_100011995695_200010402107 [0,2,0,0,0,0|1,1,0]=4 16096 B15R0.4332 CCCC(C)(C)OCCCCCOC(=O)C 7a_100000748436_100000033007 [0,2,0,0,0,0|1,0,0]=3 16097 B15R0.4332 CCCC(C)(C)OCCOCCOC(=O)C 7a_100000748436_200000083610 [0,2,0,0,0,0|2,0,0]=4 16098 B15R0.4332 CCNC(C)(C)COCCCCOC(=O)C 7a_100000747347_100000033659 [0,2,0,0,0,0|2,0,0]=4 16099 B15R0.4332 COCC(C)(C)NCCCCCOC(=O)C 2230a_100000752728_100009813381 [0,2,0,0,0,0|2,0,0]=4 16100 B15R0.4332 CSCC(C)(C)NCCCCCOC(=O)C 2230a_100000759623_100009813381 [0,2,0,0,0,0|2,0,0]=4 16101 B15R0.4332 CSCC(C)(C)NCCCCCOC(=O)C 7a_100000759623_100000033007 [0,2,0,0,0,0|2,0,0]=4 16102 B15R0.1776 CC(=O)OCCOC(C)(C)CCCCCBr 7a_100010402123_100009814007 [0,2,0,0,0,0|2,0,0]=4 16103 B15R0.1776 CCCCCCC(C)(C)OCCCC(=O)C 7a_200011995690_100011215641 [0,2,0,0,0,0|2,0,0]=4 16104 B15R0.1776 CCCCCCC(C)(C)OCCNC(=O)C 7a_200011995690_100000189650 [0,2,0,0,0,0|2,0,0]=4 16105 B15R0.1776 CCCCCCC(C)(C)OCCOC(=O)C 7a_200011995690_100009814007 [0,2,0,0,0,0|1,0,0]=3 16106 B15R0.1776 CCCCCCC(C)(C)OCCOC(=O)N 7a_200011995690_200011214921 [0,2,0,0,0,0|2,0,0]=4 16107 B15R0.1776 CCCCCCS(=O)(=O)NCCOC(=O)C 270084a_100000724843_100011361803 [0,2,0,0,0,0|2,0,0]=4 16108 B15R0.1776 CCCCCCS(=O)(=O)NCCOC(=O)C 274078a_100000724843_100011361803 [0,2,0,0,0,0|2,0,0]=4 16109 B15R0.4108 C#CC(CCCCCBr)OCCOC(=O)C 34a_200010408556_100009814007 [0,2,0,0,0,0|2,0,0]=4 16110 B15R0.4108 C#CC(CCCCCBr)OCCOC(=O)C 7a_200010408556_100009814007 [0,2,0,0,0,0|2,0,0]=4 16111 B15R0.4108 C=CC(CCCCCC)OCCCC(=O)C 34a_200011215977_100000685027 [0,2,0,0,0,0|2,0,0]=4 16112 B15R0.4108 C=CC(CCCCCC)OCCCC(=O)C 7a_200011215977_100011215641 [0,2,0,0,0,0|2,0,0]=4 16113 B15R0.4108 C=CC(CCCCCC)OCCNC(=O)C 7a_200011215977_100000189650 [0,2,0,0,0,0|2,0,0]=4 16114 B15R0.4108 C=CC(CCCCCC)OCCOC(=O)C 34a_200011215977_100009814007 [0,2,0,0,0,0|1,0,0]=3 16115 B15R0.4108 C=CC(CCCCCC)OCCOC(=O)C 7a_200011215977_100009814007 [0,2,0,0,0,0|1,0,0]=3 16116 B15R0.4108 C=CC(CCCCCC)OCCOC(=O)N 34a_200011215977_200011214921 [0,2,0,0,0,0|2,0,0]=4 16117 B15R0.4108 C=CC(CCCCCC)OCCOC(=O)N 7a_200011215977_200011214921 [0,2,0,0,0,0|2,0,0]=4 16118 B15R0.4108 CCCCCCC(CC)OCCCC(=O)C 34a_100011215785_100000685027 [0,2,0,0,0,0|2,0,0]=4 16119 B15R0.4108 CCCCCCC(CC)OCCCC(=O)C 7a_100011215785_100011215641 [0,2,0,0,0,0|2,0,0]=4 16120 B15R0.4108 CCCCCCC(CC)OCCNC(=O)C 7a_100011215785_100000189650 [0,2,0,0,0,0|2,0,0]=4 16121 B15R0.4108 CCCCCCC(CC)OCCOC(=O)C 34a_100011215785_100009814007 [0,2,0,0,0,0|1,0,0]=3 16122 B15R0.4108 CCCCCCC(CC)OCCOC(=O)C 7a_100011215785_100009814007 [0,2,0,0,0,0|1,0,0]=3 16123 B15R0.4108 CCCCCCC(CC)OCCOC(=O)N 34a_100011215785_200011214921 [0,2,0,0,0,0|2,0,0]=4 16124 B15R0.4108 CCCCCCC(CC)OCCOC(=O)N 7a_100011215785_200011214921 [0,2,0,0,0,0|2,0,0]=4 16125 B13R1.28 C/C=C/CCOCC1CCCCC1 34a_100016278192_100000211423 [1,0,0,1,0,0|2,0,0]=4 16126 B13R1.28 C/C=C/CNCCC1CCCCC1 34a_100000738074_100102629194 [1,0,0,1,0,0|2,0,0]=4 16127 B13R1.28 C/C=C/COCCC1CCCCC1 34a_100011217863_100102629194 [1,0,0,1,0,0|2,0,0]=4 16128 B13R1.28 C/C=C/COCCC1CCCCC1 34a_100016270725_100011209188 [1,0,0,1,0,0|2,0,0]=4 16129 B13R1.28 C/C=C/COCCC1CCCCC1 7a_100011217863_100102629194 [1,0,0,1,0,0|2,0,0]=4 16130 B13R1.28 C/C=C/CSCCC1CCCCC1 62a_100012355289_100102629194 [1,0,0,1,0,0|2,0,0]=4 16131 B13R1.28 C/C=C/CSCCC1CCCCC1 62a_100102629194_100012355289 [1,0,0,1,0,0|2,0,0]=4 16132 B13R1.28 C=COCCCNC1CCCCC1 270004a_100000210767_100000210434 [1,0,0,1,0,0|1,0,1]=4 16133 B13R1.28 C=COCCCNC1CCCCC1 34a_100000210767_100000210327 [1,0,0,1,0,0|1,0,1]=4 16134 B13R1.28 C=COCCNCC1CCCCC1 2230a_100000210473_100000039644 [1,0,0,1,0,0|1,0,1]=4 16135 B13R1.28 C=COCCNCC1CCCCC1 34a_100000210473_100000039644 [1,0,0,1,0,0|1,0,1]=4 16136 B13R1.28 C=COCCOCC1CCCCC1 34a_100000033082_100000211423 [1,0,0,1,0,0|1,0,1]=4 16137 B13R1.28 C=COCCOCC1CCCCC1 34a_100000212181_100000039644 [1,0,0,1,0,0|1,0,1]=4 16138 B13R1.28 C=COCCOCC1CCCCC1 7a_100000212181_100000039644 [1,0,0,1,0,0|1,0,1]=4 16139 B13R1.28 C=COCCSCC1CCCCC1 62a_100000039644_100000211423 [1,0,0,1,0,0|1,0,1]=4 16140 B13R1.28 C=COCCSCC1CCCCC1 62a_100000211423_100000039644 [1,0,0,1,0,0|1,0,1]=4 16141 B13R1.28 CC=CCCCOC1CCCCC1 34a_100020645299_100000210327 [1,0,0,1,0,0|2,0,0]=4 16142 B13R1.28 CC=CCNCCC1CCCCC1 2230a_100000738074_100000070051 [1,0,0,1,0,0|2,0,0]=4 16143 B13R1.28 CC=CCNCCC1CCCCC1 34a_100000738074_100000070051 [1,0,0,1,0,0|2,0,0]=4 16144 B13R1.28 CC=CCOCCC1CCCCC1 34a_100011217863_100000070051 [1,0,0,1,0,0|2,0,0]=4 16145 B13R1.28 CC=CCOCCC1CCCCC1 7a_100011217863_100000070051 [1,0,0,1,0,0|2,0,0]=4 16146 B13R1.28 CC=CCSCCC1CCCCC1 62a_100000070051_100012355289 [1,0,0,1,0,0|2,0,0]=4 16147 B13R1.28 CC=CCSCCC1CCCCC1 62a_100012355289_100000070051 [1,0,0,1,0,0|2,0,0]=4 16148 B13R1.28 CCCCCCCN1CC=CCC1 2230a_100000698166_100000210681 [1,0,0,1,0,0|2,0,0]=4 16149 B13R1.28 CCCCCCCN1CC=CCC1 269982a_100000698166_100000210681 [1,0,0,1,0,0|2,0,0]=4 16150 B13R1.28 CCCCCCCN1CC=CCC1 34a_100000698166_100000210614 [1,0,0,1,0,0|2,0,0]=4 16151 B13R1.28 CCCCCCCN1CCOCC1 2230a_100015191051_100000210681 [1,0,0,1,0,0|1,0,1]=4 16152 B13R1.28 CCCCCCCN1CCOCC1 269982a_100015191051_100000210681 [1,0,0,1,0,0|1,0,1]=4 16153 B13R1.28 CCCCCCCN1CCOCC1 34a_100015191051_100000210614 [1,0,0,1,0,0|1,0,1]=4 16154 B13R1.28 CCCCCCNC1CCOCC1 2230a_100000741149_100000210314 [1,0,0,1,0,0|1,0,1]=4 16155 B13R1.28 CCCCCCNC1CCOCC1 270004a_100000210581_100011217826 [1,0,0,1,0,0|1,0,1]=4 16156 B13R1.28 CCCCCCNC1CCOCC1 34a_100000741149_100000210314 [1,0,0,1,0,0|1,0,1]=4 16157 B13R1.28 CCCCCCOC1CC=CCC1 34a_100000073881_100000210314 [1,0,0,1,0,0|2,0,0]=4 16158 B13R1.28 CCCCCCOC1CCOCC1 34a_100000744328_100000210314 [1,0,0,1,0,0|1,0,1]=4 16159 B13R1.28 CCCCCCOC1CCOCC1 7a_100000210259_100000686592 [1,0,0,1,0,0|1,0,1]=4 16160 B13R1.28 CCCCCCSC1CCOCC1 62a_100000210314_100011324220 [1,0,0,1,0,0|1,0,1]=4 16161 B13R1.28 CCCCCNCC1CC=CCC1 270004a_100000209983_100000189434 [1,0,0,1,0,0|2,0,0]=4 16162 B13R1.28 CCCCCNCC1CCOCC1 2230a_100000209983_100000754603 [1,0,0,1,0,0|1,0,1]=4 16163 B13R1.28 CCCCCNCC1CCOCC1 2230a_100000746373_100000210326 [1,0,0,1,0,0|1,0,1]=4 16164 B13R1.28 CCCCCNCC1CCOCC1 269862a_100000209983_100000749017 [1,0,0,1,0,0|1,0,1]=4 16165 B13R1.28 CCCCCNCC1CCOCC1 34a_100000746373_100000718602 [1,0,0,1,0,0|1,0,1]=4 16166 B13R1.28 CCCCCOCC1CC=CCC1 34a_100000210713_100000718602 [1,0,0,1,0,0|2,0,0]=4 16167 B13R1.28 CCCCCOCC1CCOCC1 34a_100000210253_100000754603 [1,0,0,1,0,0|1,0,1]=4 16168 B13R1.28 CCCCCOCC1CCOCC1 34a_100000749013_100000718602 [1,0,0,1,0,0|1,0,1]=4 16169 B13R1.28 CCCCCOCC1CCOCC1 7a_100000210253_100000754603 [1,0,0,1,0,0|1,0,1]=4 16170 B13R1.28 CCCCCSCC1CCOCC1 62a_100000210326_100000749018 [1,0,0,1,0,0|1,0,1]=4 16171 B13R1.28 CCCCCSCC1CCOCC1 62a_100000754603_100000210326 [1,0,0,1,0,0|1,0,1]=4 16172 B13R1.28 CCCCNCCC1CCOCC1 2230a_100000102301_100011934994 [1,0,0,1,0,0|1,0,1]=4 16173 B13R1.28 CCCCNCCC1CCOCC1 2230a_100000755988_100000210211 [1,0,0,1,0,0|1,0,1]=4 16174 B13R1.28 CCCCNCCC1CCOCC1 34a_100000755988_100000210210 [1,0,0,1,0,0|1,0,1]=4 16175 B13R1.28 CCCCNCCC1CCOCC1 7a_106832991798_100011934994 [1,0,0,1,0,0|1,0,1]=4 16176 B13R1.28 CCCCOCCC1CCOCC1 34a_100000210227_100011934994 [1,0,0,1,0,0|1,0,1]=4 16177 B13R1.28 CCCCOCCC1CCOCC1 34a_100011933979_100000210210 [1,0,0,1,0,0|1,0,1]=4 16178 B13R1.28 CCCCOCCC1CCOCC1 7a_100000210227_100011934994 [1,0,0,1,0,0|1,0,1]=4 16179 B13R1.28 CCCCOCCC1CCOCC1 7a_100011933979_100000210211 [1,0,0,1,0,0|1,0,1]=4 16180 B13R1.28 CCCCSCCC1CCOCC1 62a_100000210211_100011934994 [1,0,0,1,0,0|1,0,1]=4 16181 B13R1.28 CCCCSCCC1CCOCC1 62a_100011934994_100000210210 [1,0,0,1,0,0|1,0,1]=4 16182 B13R1.28 CCOCCCCC1CCCCC1 34a_100011215267_100000210202 [1,0,0,1,0,0|0,0,1]=3 16183 B13R1.28 CCOCCCCC1CCCCC1 7a_100011215267_100000210202 [1,0,0,1,0,0|0,0,1]=3 16184 B13R1.28 CCOCCCCC1CCNCC1 34a_100016989291_100000210202 [1,0,0,1,0,0|1,0,1]=4 16185 B13R1.28 CCOCCCNC1CCCCC1 2230a_100000182618_100012232248 [1,0,0,1,0,0|1,0,1]=4 16186 B13R1.28 CCOCCCNC1CCCCC1 270004a_100000210961_100000210434 [1,0,0,1,0,0|1,0,1]=4 16187 B13R1.28 CCOCCCNC1CCCCC1 34a_100000182618_100012232248 [1,0,0,1,0,0|1,0,1]=4 16188 B13R1.28 CCOCCCNC1CCCCC1 34a_100000210961_100000210327 [1,0,0,1,0,0|1,0,1]=4 16189 B13R1.28 CCOCCCOC1CCCCC1 34a_100000210231_100012232248 [1,0,0,1,0,0|1,0,1]=4 16190 B13R1.28 CCOCCCOC1CCCCC1 34a_100000757476_100000210327 [1,0,0,1,0,0|1,0,1]=4 16191 B13R1.28 CCOCCCOC1CCCCC1 7a_100000210231_100012232248 [1,0,0,1,0,0|1,0,1]=4 16192 B13R1.28 CCOCCCOC1CCCCC1 7a_100000757476_100000210327 [1,0,0,1,0,0|1,0,1]=4 16193 B13R1.28 CCOCCCSC1CCCCC1 62a_100000210327_100012232248 [1,0,0,1,0,0|1,0,1]=4 16194 B13R1.28 CCOCCCSC1CCCCC1 62a_100012232248_100000210327 [1,0,0,1,0,0|1,0,1]=4 16195 B13R1.28 CCOCCNCC1CCCCC1 2230a_100000210473_100011215890 [1,0,0,1,0,0|1,0,1]=4 16196 B13R1.28 CCOCCNCC1CCCCC1 2230a_102516460346_100000211423 [1,0,0,1,0,0|1,0,1]=4 16197 B13R1.28 CCOCCNCC1CCCCC1 269862a_100011200944_100000211278 [1,0,0,1,0,0|1,0,1]=4 16198 B13R1.28 CCOCCNCC1CCCCC1 34a_100000210473_100000210147 [1,0,0,1,0,0|1,0,1]=4 16199 B13R1.28 CCOCCNCC1CCCCC1 34a_102516460346_100000211423 [1,0,0,1,0,0|1,0,1]=4 16200 B13R1.28 CCOCCOCC1CCCCC1 34a_100000210136_100000211423 [1,0,0,1,0,0|1,0,1]=4 16201 B13R1.28 CCOCCOCC1CCCCC1 34a_100000212181_100000210147 [1,0,0,1,0,0|1,0,1]=4 16202 B13R1.28 CCOCCOCC1CCCCC1 7a_100000210136_100000211423 [1,0,0,1,0,0|1,0,1]=4 16203 B13R1.28 CCOCCOCC1CCCCC1 7a_100000212181_100011215890 [1,0,0,1,0,0|1,0,1]=4 16204 B13R1.28 CCOCCSCC1CCCCC1 62a_100000210147_100000211423 [1,0,0,1,0,0|1,0,1]=4 16205 B13R1.28 CCOCCSCC1CCCCC1 62a_100000211423_100011215890 [1,0,0,1,0,0|1,0,1]=4 16206 B13R1.28 CCOCSCCC1CCCCC1 62a_100000739092_100012355289 [1,0,0,1,0,0|1,0,1]=4 16207 B13R1.28 CCOCSCCC1CCCCC1 62a_100012355289_100000739092 [1,0,0,1,0,0|1,0,1]=4 16208 B13R1.28 FCOCCCCC1CCCCC1 34a_100011215267_100015361967 [1,0,0,1,0,0|1,0,1]=4 16209 B13R1.28 FCOCCCCC1CCCCC1 7a_100011215267_100015361967 [1,0,0,1,0,0|1,0,1]=4 16210 B13R1.28 O=CCCCCNC1CCCCC1 2230a_100000182618_100000139335 [1,0,0,1,0,0|2,0,0]=4 16211 B13R1.28 O=CCCCCOC1CCCCC1 7a_100000210231_100000139335 [1,0,0,1,0,0|2,0,0]=4 16212 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000139335_100000210327 [1,0,0,1,0,0|2,0,0]=4 16213 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000210327_100000139335 [1,0,0,1,0,0|2,0,0]=4 16214 B13R1.28 O=CCCCNCC1CCCCC1 2230a_100000210473_200011292268 [1,0,0,1,0,0|2,0,0]=4 16215 B13R1.28 O=CCCCOCC1CCCCC1 7a_100000212181_200011292268 [1,0,0,1,0,0|2,0,0]=4 16216 B13R1.28 O=CCCCSCC1CCCCC1 62a_100000211423_200011292268 [1,0,0,1,0,0|2,0,0]=4 16217 B13R1.28 O=CCCCSCC1CCCCC1 62a_200011292268_100000211423 [1,0,0,1,0,0|2,0,0]=4 16218 B13R1.28 O=CCNCCCC1CCCCC1 2230a_100011211642_200015260668 [1,0,0,1,0,0|2,0,0]=4 16219 B13R1.28 O=CCNCCCC1CCCCC1 34a_100011211642_200009817547 [1,0,0,1,0,0|2,0,0]=4 16220 B13R1.28 O=CCOCCCC1CCCCC1 34a_100000198086_200009817547 [1,0,0,1,0,0|2,0,0]=4 16221 B13R1.28 O=CCOCCCC1CCCCC1 7a_100000198086_200015260668 [1,0,0,1,0,0|2,0,0]=4 16222 B13R1.28 O=CCSCCCC1CCCCC1 62a_100011713725_200015260668 [1,0,0,1,0,0|2,0,0]=4 16223 B13R1.28 O=CCSCCCC1CCCCC1 62a_200015260668_100011713725 [1,0,0,1,0,0|2,0,0]=4 16224 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [1,0,0,1,0,0|2,0,0]=4 16225 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000102301_100000735217 [1,0,0,1,0,0|2,0,0]=4 16226 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000698827_100000210211 [1,0,0,1,0,0|2,0,0]=4 16227 B13R1.34 CCCCNC1CCCCNC1=O 34a_100000698827_100000210210 [1,0,0,1,0,0|2,0,0]=4 16228 B13R1.34 CCCCNC1CCCCNC1=O 7a_106832991798_100000735217 [1,0,0,1,0,0|2,0,0]=4 16229 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [1,0,0,1,0,0|2,0,0]=4 16230 B13R1.34 CCCCOC1CCCCNC1=O 7a_100000210227_100000735217 [1,0,0,1,0,0|2,0,0]=4 16231 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [1,0,0,1,0,0|2,0,0]=4 16232 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [1,0,0,1,0,0|2,0,0]=4 16233 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000210211_100000735217 [1,0,0,1,0,0|2,0,0]=4 16234 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000735217_100000210210 [1,0,0,1,0,0|2,0,0]=4 16235 B13R1.84 C/C=C/COC1CCCCC1CC 34a_100000210738_100102629194 [1,0,0,1,0,0|2,0,0]=4 16236 B13R1.84 C/C=C/COC1CCCCC1CC 7a_100000210738_100102629194 [1,0,0,1,0,0|2,0,0]=4 16237 B13R1.84 C=COCCN1CCCCC1CC 2230a_100000210034_100000039644 [1,0,0,1,0,0|1,0,1]=4 16238 B13R1.84 C=COCCN1CCCCC1CC 269982a_100000210034_100000039644 [1,0,0,1,0,0|1,0,1]=4 16239 B13R1.84 C=COCCN1CCCCC1CC 34a_100000210034_100000039644 [1,0,0,1,0,0|1,0,1]=4 16240 B13R1.84 CC=CCOC1CCCCC1CC 34a_100000210738_100000070051 [1,0,0,1,0,0|2,0,0]=4 16241 B13R1.84 CC=CCOC1CCCCC1CC 7a_100000210738_100000070051 [1,0,0,1,0,0|2,0,0]=4 16242 B13R1.84 CCC1CCCCN1CCCC=O 2230a_100000210034_200011292268 [1,0,0,1,0,0|2,0,0]=4 16243 B13R1.84 CCC1CCCCN1CCCC=O 269982a_100000210034_200011292268 [1,0,0,1,0,0|2,0,0]=4 16244 B13R1.84 CCOCCN1CCCCC1CC 2230a_100000210034_100011215890 [1,0,0,1,0,0|1,0,1]=4 16245 B13R1.84 CCOCCN1CCCCC1CC 269982a_100000210034_100011215890 [1,0,0,1,0,0|1,0,1]=4 16246 B13R1.84 CCOCCN1CCCCC1CC 34a_100000210034_100000210147 [1,0,0,1,0,0|1,0,1]=4 16247 B13R1.119 C/C=C/CCOCCC1CCCC1 34a_100016278192_100000760354 [1,0,0,1,0,0|2,0,0]=4 16248 B13R1.119 C/C=C/CNCCCC1CCCC1 34a_100000736752_100102629194 [1,0,0,1,0,0|2,0,0]=4 16249 B13R1.119 C/C=C/COCCCC1CCCC1 34a_100011215328_100102629194 [1,0,0,1,0,0|2,0,0]=4 16250 B13R1.119 C/C=C/COCCCC1CCCC1 34a_100016270725_100011713738 [1,0,0,1,0,0|2,0,0]=4 16251 B13R1.119 C/C=C/COCCCC1CCCC1 7a_100011215328_100102629194 [1,0,0,1,0,0|2,0,0]=4 16252 B13R1.119 C/C=C/CSCCCC1CCCC1 62a_100011713738_100102629194 [1,0,0,1,0,0|2,0,0]=4 16253 B13R1.119 C/C=C/CSCCCC1CCCC1 62a_100102629194_100011713738 [1,0,0,1,0,0|2,0,0]=4 16254 B13R1.119 C=COCCCCOC1CCCC1 34a_100000031558_100000179811 [1,0,0,1,0,0|1,0,1]=4 16255 B13R1.119 C=COCCCCOC1CCCC1 7a_100000031558_100000179811 [1,0,0,1,0,0|1,0,1]=4 16256 B13R1.119 C=COCCCNCC1CCCC1 2230a_100000210767_100000740388 [1,0,0,1,0,0|1,0,1]=4 16257 B13R1.119 C=COCCCNCC1CCCC1 269862a_100000210767_100000746403 [1,0,0,1,0,0|1,0,1]=4 16258 B13R1.119 C=COCCCNCC1CCCC1 34a_100000210767_100000740388 [1,0,0,1,0,0|1,0,1]=4 16259 B13R1.119 C=COCCNCCC1CCCC1 2230a_100000739158_100000039644 [1,0,0,1,0,0|1,0,1]=4 16260 B13R1.119 C=COCCNCCC1CCCC1 34a_100000739158_100000039644 [1,0,0,1,0,0|1,0,1]=4 16261 B13R1.119 C=COCCOCCC1CCCC1 34a_100000033082_100000760354 [1,0,0,1,0,0|1,0,1]=4 16262 B13R1.119 C=COCCOCCC1CCCC1 34a_100000749090_100000039644 [1,0,0,1,0,0|1,0,1]=4 16263 B13R1.119 C=COCCOCCC1CCCC1 7a_100000749090_100000039644 [1,0,0,1,0,0|1,0,1]=4 16264 B13R1.119 C=COCCSCCC1CCCC1 62a_100000039644_100000760354 [1,0,0,1,0,0|1,0,1]=4 16265 B13R1.119 C=COCCSCCC1CCCC1 62a_100000760354_100000039644 [1,0,0,1,0,0|1,0,1]=4 16266 B13R1.119 CC=CCCCOCC1CCCC1 34a_100020645299_100000740388 [1,0,0,1,0,0|2,0,0]=4 16267 B13R1.119 CC=CCNCCCC1CCCC1 2230a_100000736752_100000070051 [1,0,0,1,0,0|2,0,0]=4 16268 B13R1.119 CC=CCNCCCC1CCCC1 34a_100000736752_100000070051 [1,0,0,1,0,0|2,0,0]=4 16269 B13R1.119 CC=CCOCCCC1CCCC1 34a_100011215328_100000070051 [1,0,0,1,0,0|2,0,0]=4 16270 B13R1.119 CC=CCOCCCC1CCCC1 7a_100011215328_100000070051 [1,0,0,1,0,0|2,0,0]=4 16271 B13R1.119 CC=CCSCCCC1CCCC1 62a_100000070051_100011713738 [1,0,0,1,0,0|2,0,0]=4 16272 B13R1.119 CC=CCSCCCC1CCCC1 62a_100011713738_100000070051 [1,0,0,1,0,0|2,0,0]=4 16273 B13R1.119 CCCCCCCCN1CC=CC1 269982a_100015195280_100000210759 [1,0,0,1,0,0|2,0,0]=4 16274 B13R1.119 CCCCCCCNC1CC=CC1 2230a_100015188752_100000210681 [1,0,0,1,0,0|2,0,0]=4 16275 B13R1.119 CCCCCCCNC1CCOC1 2230a_100000229938_100000731011 [1,0,0,1,0,0|1,0,1]=4 16276 B13R1.119 CCCCCCCNC1CCOC1 270004a_100000229938_100000752484 [1,0,0,1,0,0|1,0,1]=4 16277 B13R1.119 CCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210681 [1,0,0,1,0,0|1,0,1]=4 16278 B13R1.119 CCCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210681 [1,0,0,1,0,0|1,0,1]=4 16279 B13R1.119 CCCCCCCN[C@H]1CCOC1 34a_100015188467_100000210614 [1,0,0,1,0,0|1,0,1]=4 16280 B13R1.119 CCCCCCCOC1CCOC1 34a_100000210272_100000690089 [1,0,0,1,0,0|1,0,1]=4 16281 B13R1.119 CCCCCCCOC1CCOC1 7a_100000210272_100000731011 [1,0,0,1,0,0|1,0,1]=4 16282 B13R1.119 CCCCCCCO[C@H]1CCOC1 34a_100000717292_100000210614 [1,0,0,1,0,0|1,0,1]=4 16283 B13R1.119 CCCCCCCSC1CCOC1 62a_100000210614_100000690089 [1,0,0,1,0,0|1,0,1]=4 16284 B13R1.119 CCCCCCNCC1CCOC1 2230a_100000210581_100000702531 [1,0,0,1,0,0|1,0,1]=4 16285 B13R1.119 CCCCCCNCC1CCOC1 2230a_100000737293_100000210314 [1,0,0,1,0,0|1,0,1]=4 16286 B13R1.119 CCCCCCNCC1CCOC1 34a_100000737293_100000210314 [1,0,0,1,0,0|1,0,1]=4 16287 B13R1.119 CCCCCCOCC1CC=CC1 34a_100000688395_100000210314 [1,0,0,1,0,0|2,0,0]=4 16288 B13R1.119 CCCCCCOCC1CCOC1 34a_100000210259_100011261433 [1,0,0,1,0,0|1,0,1]=4 16289 B13R1.119 CCCCCCOCC1CCOC1 34a_100000740260_100000210314 [1,0,0,1,0,0|1,0,1]=4 16290 B13R1.119 CCCCCCOCC1CCOC1 7a_100000210259_100000702531 [1,0,0,1,0,0|1,0,1]=4 16291 B13R1.119 CCCCCCSCC1CCOC1 62a_100000210314_100000702531 [1,0,0,1,0,0|1,0,1]=4 16292 B13R1.119 CCCCCCSCC1CCOC1 62a_100000702531_100000210757 [1,0,0,1,0,0|1,0,1]=4 16293 B13R1.119 CCCCCOCCC1CCOC1 34a_100011879284_100000718602 [1,0,0,1,0,0|1,0,1]=4 16294 B13R1.119 CCOCCCNCC1CCCC1 2230a_100000210961_100000740388 [1,0,0,1,0,0|1,0,1]=4 16295 B13R1.119 CCOCCCNCC1CCCC1 2230a_100000737975_100012232248 [1,0,0,1,0,0|1,0,1]=4 16296 B13R1.119 CCOCCCNCC1CCCC1 269862a_100000210961_100000746403 [1,0,0,1,0,0|1,0,1]=4 16297 B13R1.119 CCOCCCNCC1CCCC1 34a_100000210961_100000740388 [1,0,0,1,0,0|1,0,1]=4 16298 B13R1.119 CCOCCCNCC1CCCC1 34a_100000737975_100012232248 [1,0,0,1,0,0|1,0,1]=4 16299 B13R1.119 CCOCCCOCC1CCCC1 34a_100000742336_100012232248 [1,0,0,1,0,0|1,0,1]=4 16300 B13R1.119 CCOCCCOCC1CCCC1 34a_100000757476_100000740388 [1,0,0,1,0,0|1,0,1]=4 16301 B13R1.119 CCOCCCOCC1CCCC1 7a_100000742336_100012232248 [1,0,0,1,0,0|1,0,1]=4 16302 B13R1.119 CCOCCCOCC1CCCC1 7a_100000757476_100000740388 [1,0,0,1,0,0|1,0,1]=4 16303 B13R1.119 CCOCCCSCC1CCCC1 62a_100000740388_100012232248 [1,0,0,1,0,0|1,0,1]=4 16304 B13R1.119 CCOCCCSCC1CCCC1 62a_100012232248_100000740388 [1,0,0,1,0,0|1,0,1]=4 16305 B13R1.119 CCOCCNCCC1CCCC1 2230a_100000739158_100011215890 [1,0,0,1,0,0|1,0,1]=4 16306 B13R1.119 CCOCCNCCC1CCCC1 2230a_102516460346_100000760354 [1,0,0,1,0,0|1,0,1]=4 16307 B13R1.119 CCOCCNCCC1CCCC1 34a_100000739158_100000210147 [1,0,0,1,0,0|1,0,1]=4 16308 B13R1.119 CCOCCNCCC1CCCC1 34a_102516460346_100000760354 [1,0,0,1,0,0|1,0,1]=4 16309 B13R1.119 CCOCCOCCC1CCCC1 34a_100000210136_100000760354 [1,0,0,1,0,0|1,0,1]=4 16310 B13R1.119 CCOCCOCCC1CCCC1 34a_100000749090_100000210147 [1,0,0,1,0,0|1,0,1]=4 16311 B13R1.119 CCOCCOCCC1CCCC1 7a_100000210136_100000760354 [1,0,0,1,0,0|1,0,1]=4 16312 B13R1.119 CCOCCOCCC1CCCC1 7a_100000749090_100011215890 [1,0,0,1,0,0|1,0,1]=4 16313 B13R1.119 CCOCCSCCC1CCCC1 62a_100000210147_100000760354 [1,0,0,1,0,0|1,0,1]=4 16314 B13R1.119 CCOCCSCCC1CCCC1 62a_100000760354_100011215890 [1,0,0,1,0,0|1,0,1]=4 16315 B13R1.119 CCOCSCCCC1CCCC1 62a_100000739092_100011713738 [1,0,0,1,0,0|1,0,1]=4 16316 B13R1.119 CCOCSCCCC1CCCC1 62a_100011713738_100000739092 [1,0,0,1,0,0|1,0,1]=4 16317 B13R1.119 O=CCCCCCNC1CCCC1 2230a_100000211070_100000139337 [1,0,0,1,0,0|2,0,0]=4 16318 B13R1.119 O=CCCCCCOC1CCCC1 7a_100000210269_100000139337 [1,0,0,1,0,0|2,0,0]=4 16319 B13R1.119 O=CCCCCCSC1CCCC1 62a_100000139337_100000179811 [1,0,0,1,0,0|2,0,0]=4 16320 B13R1.119 O=CCCCCCSC1CCCC1 62a_100011217020_100000139337 [1,0,0,1,0,0|2,0,0]=4 16321 B13R1.119 O=CCCCCNCC1CCCC1 2230a_100000737975_100000139335 [1,0,0,1,0,0|2,0,0]=4 16322 B13R1.119 O=CCCCCOCC1CCCC1 7a_100000742336_100000139335 [1,0,0,1,0,0|2,0,0]=4 16323 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000139335_100000740388 [1,0,0,1,0,0|2,0,0]=4 16324 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000740388_100000139335 [1,0,0,1,0,0|2,0,0]=4 16325 B13R1.119 O=CCCCNCCC1CCCC1 2230a_100000739158_200011292268 [1,0,0,1,0,0|2,0,0]=4 16326 B13R1.119 O=CCCCOCCC1CCCC1 7a_100000749090_200011292268 [1,0,0,1,0,0|2,0,0]=4 16327 B13R1.119 O=CCCCSCCC1CCCC1 62a_100000760354_200011292268 [1,0,0,1,0,0|2,0,0]=4 16328 B13R1.119 O=CCCCSCCC1CCCC1 62a_200011292268_100000760354 [1,0,0,1,0,0|2,0,0]=4 16329 B13R1.137 CCC1CCCN1CCCCC=O 2230a_100000754278_100000139335 [1,0,0,1,0,0|2,0,0]=4 16330 B13R1.137 CCC1CCCN1CCCCC=O 269982a_100000754278_100000139335 [1,0,0,1,0,0|2,0,0]=4 16331 B13R1.137 CCCCCCC1CCCC1NC 269862a_106832991636_100000189428 [1,0,0,1,0,0|2,0,0]=4 16332 B13R1.137 CCCCCCC1CCCC1NC 270004a_106832991635_100000189428 [1,0,0,1,0,0|2,0,0]=4 16333 B13R1.137 CCOCCCN1CCCC1CC 2230a_100000754278_100012232248 [1,0,0,1,0,0|1,0,1]=4 16334 B13R1.137 CCOCCCN1CCCC1CC 269982a_100000754278_100012232248 [1,0,0,1,0,0|1,0,1]=4 16335 B13R1.137 CCOCCCN1CCCC1CC 34a_100000754278_100012232248 [1,0,0,1,0,0|1,0,1]=4 16336 B13R1.137 CCOCCNC1CCCC1CC 269862a_100011200944_100000749056 [1,0,0,1,0,0|1,0,1]=4 16337 B13R1.137 CCOCCNC1CCCC1CC 270004a_102516460346_100000749056 [1,0,0,1,0,0|1,0,1]=4 16338 B13R1.485 C/C=C/CN1CCCCC1CCC 269982a_100000701414_100102629194 [1,0,0,1,0,0|2,0,0]=4 16339 B13R1.485 C/C=C/CN1CCCCC1CCC 34a_100000701414_100102629194 [1,0,0,1,0,0|2,0,0]=4 16340 B13R1.485 CC=CCN1CCCCC1CCC 2230a_100000701414_100000070051 [1,0,0,1,0,0|2,0,0]=4 16341 B13R1.485 CC=CCN1CCCCC1CCC 34a_100000701414_100000070051 [1,0,0,1,0,0|2,0,0]=4 16342 B13R1.485 CCCC1CCCCC1OCC=O 34a_100011217265_200009817547 [1,0,0,1,0,0|2,0,0]=4 16343 B13R1.485 CCCC1CCCCC1OCC=O 7a_100011217265_200015260668 [1,0,0,1,0,0|2,0,0]=4 16344 B13R1.485 CCCC1CCCCN1COCC 269982a_100000701414_100000739092 [1,0,0,1,0,0|1,0,1]=4 16345 B13R1.485 CCCNC1CCCCC1OCC 270004a_100020643023_200000031474 [1,0,0,1,0,0|1,0,1]=4 16346 B13R1.489 C/C=C/CN1CCCCCCCC1 269982a_100000039187_100102629194 [1,0,0,1,0,0|2,0,0]=4 16347 B13R1.489 C/C=C/CN1CCCCCCCC1 34a_100000039187_100102629194 [1,0,0,1,0,0|2,0,0]=4 16348 B13R1.489 CC=CCN1CCCCCCCC1 2230a_100000039187_100000070051 [1,0,0,1,0,0|2,0,0]=4 16349 B13R1.489 CC=CCN1CCCCCCCC1 34a_100000039187_100000070051 [1,0,0,1,0,0|2,0,0]=4 16350 B13R1.489 CCOCN1CCCCCCCC1 269982a_100000039187_100000739092 [1,0,0,1,0,0|1,0,1]=4 16351 B13R1.555 C=COCCNC1CCCCC1C 2230a_100000211402_100000039644 [1,0,0,1,0,0|1,0,1]=4 16352 B13R1.555 C=COCCNC1CCCCC1C 34a_100000211402_100000039644 [1,0,0,1,0,0|1,0,1]=4 16353 B13R1.555 C=COCCOC1CCCCC1C 34a_100000211207_100000039644 [1,0,0,1,0,0|1,0,1]=4 16354 B13R1.555 C=COCCOC1CCCCC1C 7a_100000211207_100000039644 [1,0,0,1,0,0|1,0,1]=4 16355 B13R1.555 CC1CCCCC1NCCCC=O 2230a_100000211402_200011292268 [1,0,0,1,0,0|2,0,0]=4 16356 B13R1.555 CC1CCCCC1OCCCC=O 7a_100000211207_200011292268 [1,0,0,1,0,0|2,0,0]=4 16357 B13R1.555 CC1CCCCN1CCCCC=O 2230a_100000211376_100000139335 [1,0,0,1,0,0|2,0,0]=4 16358 B13R1.555 CC1CCCCN1CCCCC=O 269982a_100000211376_100000139335 [1,0,0,1,0,0|2,0,0]=4 16359 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000209983_100000687798 [1,0,0,1,0,0|2,0,0]=4 16360 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000747585_100000210326 [1,0,0,1,0,0|2,0,0]=4 16361 B13R1.555 CCCCCNC1CCCNC1=O 34a_100000747585_100000718602 [1,0,0,1,0,0|2,0,0]=4 16362 B13R1.555 CCCCCOC1CCCCC1=O 34a_100000210253_100000754470 [1,0,0,1,0,0|2,0,0]=4 16363 B13R1.555 CCCCCOC1CCCCC1=O 34a_100011214950_100000718602 [1,0,0,1,0,0|2,0,0]=4 16364 B13R1.555 CCCCCOC1CCCCC1=O 7a_100000210253_100000204591 [1,0,0,1,0,0|2,0,0]=4 16365 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000073722_100000718602 [1,0,0,1,0,0|2,0,0]=4 16366 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000210253_100000687798 [1,0,0,1,0,0|2,0,0]=4 16367 B13R1.555 CCCCCOC1CCCNC1=O 7a_100000210253_100000687798 [1,0,0,1,0,0|2,0,0]=4 16368 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000204591_100000210326 [1,0,0,1,0,0|2,0,0]=4 16369 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000210326_100000204591 [1,0,0,1,0,0|2,0,0]=4 16370 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000210326_100000687798 [1,0,0,1,0,0|2,0,0]=4 16371 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000687798_100000210326 [1,0,0,1,0,0|2,0,0]=4 16372 B13R1.555 CCCCOCC1CCCCC1=O 34a_100009861125_100000210210 [1,0,0,1,0,0|2,0,0]=4 16373 B13R1.555 CCCCOCC1CCCCC1=O 7a_100009861125_100000210211 [1,0,0,1,0,0|2,0,0]=4 16374 B13R1.555 CCOCCCN1CCCCC1C 2230a_100000211376_100012232248 [1,0,0,1,0,0|1,0,1]=4 16375 B13R1.555 CCOCCCN1CCCCC1C 269982a_100000211376_100012232248 [1,0,0,1,0,0|1,0,1]=4 16376 B13R1.555 CCOCCCN1CCCCC1C 34a_100000211376_100012232248 [1,0,0,1,0,0|1,0,1]=4 16377 B13R1.555 CCOCCCN1CCCCC1C 34a_100000213889_100000210202 [1,0,0,1,0,0|1,0,1]=4 16378 B13R1.555 CCOCCCN1CCCCC1C 7a_100000213889_100000210202 [1,0,0,1,0,0|1,0,1]=4 16379 B13R1.555 CCOCCNC1CCCCC1C 2230a_100000211402_100011215890 [1,0,0,1,0,0|1,0,1]=4 16380 B13R1.555 CCOCCNC1CCCCC1C 269862a_100011200944_100000210921 [1,0,0,1,0,0|1,0,1]=4 16381 B13R1.555 CCOCCNC1CCCCC1C 270004a_102516460346_100000210921 [1,0,0,1,0,0|1,0,1]=4 16382 B13R1.555 CCOCCNC1CCCCC1C 34a_100000211402_100000210147 [1,0,0,1,0,0|1,0,1]=4 16383 B13R1.555 CCOCCOC1CCCCC1C 34a_100000211207_100000210147 [1,0,0,1,0,0|1,0,1]=4 16384 B13R1.555 CCOCCOC1CCCCC1C 7a_100000211207_100011215890 [1,0,0,1,0,0|1,0,1]=4 16385 B13R1.559 CC1CC1COCCCCCC=O 7a_100000744939_100000139337 [1,0,0,1,0,0|2,0,0]=4 16386 B13R1.560 C=COCCCCOCC1CCC1 34a_100000031558_100000763275 [1,0,0,1,0,0|1,0,1]=4 16387 B13R1.560 C=COCCCCOCC1CCC1 7a_100000031558_100000763275 [1,0,0,1,0,0|1,0,1]=4 16388 B13R1.560 CCCCCCCNCC1CCO1 2230a_100000229938_100000103362 [1,0,0,1,0,0|1,0,1]=4 16389 B13R1.560 CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210681 [1,0,0,1,0,0|1,0,1]=4 16390 B13R1.560 CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210614 [1,0,0,1,0,0|1,0,1]=4 16391 B13R1.560 CCCCCCCOCC1CCO1 34a_100000039022_100000210614 [1,0,0,1,0,0|1,0,1]=4 16392 B13R1.560 CCCCCCCOCC1CCO1 34a_100000210272_100000103362 [1,0,0,1,0,0|1,0,1]=4 16393 B13R1.560 CCCCCCCOCC1CCO1 7a_100000210272_100000103362 [1,0,0,1,0,0|1,0,1]=4 16394 B13R1.560 CCCCCCCSCC1CCO1 62a_100000103362_100000210316 [1,0,0,1,0,0|1,0,1]=4 16395 B13R1.560 CCCCCCCSCC1CCO1 62a_100000210614_100000103362 [1,0,0,1,0,0|1,0,1]=4 16396 B13R1.560 O=CCCCCCNCC1CCC1 2230a_100000738700_100000139337 [1,0,0,1,0,0|2,0,0]=4 16397 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000139337_100000763275 [1,0,0,1,0,0|2,0,0]=4 16398 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000763275_100000139337 [1,0,0,1,0,0|2,0,0]=4 16399 B13R1.654 C=COCCCNC1CCCC1C 269862a_100000210767_100000752053 [1,0,0,1,0,0|1,0,1]=4 16400 B13R1.654 CC1CCCC1OCCCCC=O 7a_100011216460_100000139335 [1,0,0,1,0,0|2,0,0]=4 16401 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [1,0,0,1,0,0|2,0,0]=4 16402 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [1,0,0,1,0,0|2,0,0]=4 16403 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [1,0,0,1,0,0|2,0,0]=4 16404 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [1,0,0,1,0,0|1,0,0]=3 16405 B13R1.654 CCCCCCNC1CCOC1C 270004a_100000210581_100000691750 [1,0,0,1,0,0|1,0,1]=4 16406 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [1,0,0,1,0,0|2,0,0]=4 16407 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [1,0,0,1,0,0|2,0,0]=4 16408 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [1,0,0,1,0,0|2,0,0]=4 16409 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [1,0,0,1,0,0|1,0,0]=3 16410 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [1,0,0,1,0,0|1,0,0]=3 16411 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [1,0,0,1,0,0|2,0,0]=4 16412 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [1,0,0,1,0,0|2,0,0]=4 16413 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [1,0,0,1,0,0|2,0,0]=4 16414 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [1,0,0,1,0,0|1,0,0]=3 16415 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [1,0,0,1,0,0|1,0,0]=3 16416 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [1,0,0,1,0,0|2,0,0]=4 16417 B13R1.654 CCCCOCSC1CCOC1=O 62a_100000211211_100011995733 [1,0,0,1,0,0|2,0,0]=4 16418 B13R1.654 CCCCOCSC1CCOC1=O 62a_100011995733_100000211211 [1,0,0,1,0,0|2,0,0]=4 16419 B13R1.654 CCCOCCNC1CCOC1=O 2230a_100161115042_100000211211 [1,0,0,1,0,0|2,0,0]=4 16420 B13R1.654 CCCOCCNC1CCOC1=O 34a_100161115042_100000211211 [1,0,0,1,0,0|2,0,0]=4 16421 B13R1.654 CCCOCCOC1CCOC1=O 34a_100000752267_100000211211 [1,0,0,1,0,0|2,0,0]=4 16422 B13R1.654 CCCOCCOC1CCOC1=O 7a_100000752267_100000211211 [1,0,0,1,0,0|2,0,0]=4 16423 B13R1.654 CCCOCCSC1CCOC1=O 62a_100000211211_100011215938 [1,0,0,1,0,0|2,0,0]=4 16424 B13R1.654 CCCOCCSC1CCOC1=O 62a_100011215938_100000211211 [1,0,0,1,0,0|2,0,0]=4 16425 B13R1.654 CCCSCCNC1CCOC1=O 2230a_100020603323_100000211211 [1,0,0,1,0,0|2,0,0]=4 16426 B13R1.654 CCCSCCOC1CCOC1=O 34a_200000230433_100000211211 [1,0,0,1,0,0|2,0,0]=4 16427 B13R1.654 CCCSCCOC1CCOC1=O 7a_200000230433_100000211211 [1,0,0,1,0,0|2,0,0]=4 16428 B13R1.654 CCOCCCNC1CCCC1C 269862a_100000210961_100000752053 [1,0,0,1,0,0|1,0,1]=4 16429 B13R1.654 CCOCCCNC1CCOC1=O 2230a_100000210961_100000211211 [1,0,0,1,0,0|2,0,0]=4 16430 B13R1.654 CCOCCCNC1CCOC1=O 34a_100000210961_100000211211 [1,0,0,1,0,0|2,0,0]=4 16431 B13R1.654 CCOCCCOC1CCCC1C 34a_100011216460_100012232248 [1,0,0,1,0,0|1,0,1]=4 16432 B13R1.654 CCOCCCOC1CCCC1C 7a_100011216460_100012232248 [1,0,0,1,0,0|1,0,1]=4 16433 B13R1.654 CCOCCCOC1CCOC1=O 34a_100000757476_100000211211 [1,0,0,1,0,0|2,0,0]=4 16434 B13R1.654 CCOCCCOC1CCOC1=O 7a_100000757476_100000211211 [1,0,0,1,0,0|2,0,0]=4 16435 B13R1.654 CCOCCCSC1CCOC1=O 62a_100000211211_100012232248 [1,0,0,1,0,0|2,0,0]=4 16436 B13R1.654 CCOCCCSC1CCOC1=O 62a_100012232248_100000211211 [1,0,0,1,0,0|2,0,0]=4 16437 B13R1.654 CCSCCCOC1CCOC1=O 34a_100011216438_100000211211 [1,0,0,1,0,0|2,0,0]=4 16438 B13R1.654 CCSCCCOC1CCOC1=O 7a_100011216438_100000211211 [1,0,0,1,0,0|2,0,0]=4 16439 B13R1.654 COCCCCOC1CCOC1=O 34a_100000740925_100000211211 [1,0,0,1,0,0|2,0,0]=4 16440 B13R1.654 COCCCCSC1CCOC1=O 62a_100000211211_100000730899 [1,0,0,1,0,0|2,0,0]=4 16441 B13R1.654 COCCCCSC1CCOC1=O 62a_100000730899_100000211211 [1,0,0,1,0,0|2,0,0]=4 16442 B13R1.654 CSCCCCOC1CCOC1=O 34a_100011217163_100000211211 [1,0,0,1,0,0|2,0,0]=4 16443 B13R1.654 CSCCCCOC1CCOC1=O 7a_100011217163_100000211211 [1,0,0,1,0,0|2,0,0]=4 16444 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 2230a_100015189458_100000139337 [1,0,0,1,0,0|2,0,0]=4 16445 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 269982a_100015189458_100000139337 [1,0,0,1,0,0|2,0,0]=4 16446 B13R1.654 C[C@H]1CCCN1CCCCCC=O 2230a_100020605311_100000139337 [1,0,0,1,0,0|2,0,0]=4 16447 B13R1.654 C[C@H]1CCCN1CCCCCC=O 269982a_100020605311_100000139337 [1,0,0,1,0,0|2,0,0]=4 16448 B13R1.654 NCCCCCOC1CCOC1=O 34a_100000762737_100000211211 [1,0,0,1,0,0|2,0,0]=4 16449 B13R1.654 O=C1OCCC1NCCCCCO 2230a_100000762737_100000211211 [1,0,0,1,0,0|2,0,0]=4 16450 B13R1.654 O=C1OCCC1NCCCCCO 34a_100000762737_100000211211 [1,0,0,1,0,0|2,0,0]=4 16451 B13R1.654 O=C1OCCC1OCCCCCBr 34a_100000746331_100000211211 [1,0,0,1,0,0|2,0,0]=4 16452 B13R1.654 O=C1OCCC1OCCCCCBr 7a_100000746331_100000211211 [1,0,0,1,0,0|2,0,0]=4 16453 B13R1.654 O=C1OCCC1OCCCCCCl 34a_100000746330_100000211211 [1,0,0,1,0,0|2,0,0]=4 16454 B13R1.654 O=C1OCCC1OCCCCCCl 7a_100000746330_100000211211 [1,0,0,1,0,0|2,0,0]=4 16455 B13R1.654 O=C1OCCC1OCCCCCI 34a_200012148887_100000211211 [1,0,0,1,0,0|2,0,0]=4 16456 B13R1.654 O=C1OCCC1OCCCCCI 7a_200012148887_100000211211 [1,0,0,1,0,0|2,0,0]=4 16457 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000211211_100000729378 [1,0,0,1,0,0|2,0,0]=4 16458 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000729378_100000211211 [1,0,0,1,0,0|2,0,0]=4 16459 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000211211_100000746330 [1,0,0,1,0,0|2,0,0]=4 16460 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000746330_100000211211 [1,0,0,1,0,0|2,0,0]=4 16461 B13R1.659 C=COCCCCOCCC1CC1 34a_100000031558_100000694398 [1,0,0,1,0,0|1,0,1]=4 16462 B13R1.659 C=COCCCCOCCC1CC1 7a_100000031558_100000764125 [1,0,0,1,0,0|1,0,1]=4 16463 B13R1.659 O=CCCCCCOCCC1CC1 7a_100000754188_100000139337 [1,0,0,1,0,0|2,0,0]=4 16464 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000139337_100000764125 [1,0,0,1,0,0|2,0,0]=4 16465 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000764125_100000139337 [1,0,0,1,0,0|2,0,0]=4 16466 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [1,0,0,1,0,0|2,0,0]=4 16467 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [1,0,0,1,0,0|2,0,0]=4 16468 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [1,0,0,1,0,0|2,0,0]=4 16469 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [1,0,0,1,0,0|2,0,0]=4 16470 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [1,0,0,1,0,0|2,0,0]=4 16471 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [1,0,0,1,0,0|2,0,0]=4 16472 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [1,0,0,1,0,0|2,0,0]=4 16473 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [1,0,0,1,0,0|2,0,0]=4 16474 B13R1.671 CCCCCC1CCCC1NCC 269862a_100015525214_200000198059 [1,0,0,1,0,0|1,0,1]=4 16475 B13R1.671 CCCCCC1CCCC1NCC 270004a_100015525214_200000198059 [1,0,0,1,0,0|1,0,1]=4 16476 B13R1.1150 C/C=C/CNC1CCCCCCC1 34a_100000211152_100102629194 [1,0,0,1,0,0|2,0,0]=4 16477 B13R1.1150 C/C=C/COC1CCCCCCC1 34a_100000210054_100102629194 [1,0,0,1,0,0|2,0,0]=4 16478 B13R1.1150 C/C=C/COC1CCCCCCC1 7a_100000210054_100102629194 [1,0,0,1,0,0|2,0,0]=4 16479 B13R1.1150 C=COCCN1CCCCCCC1 2230a_100000211400_100000039644 [1,0,0,1,0,0|1,0,1]=4 16480 B13R1.1150 C=COCCN1CCCCCCC1 269982a_100000211400_100000039644 [1,0,0,1,0,0|1,0,1]=4 16481 B13R1.1150 C=COCCN1CCCCCCC1 34a_100000211400_100000039644 [1,0,0,1,0,0|1,0,1]=4 16482 B13R1.1150 CC=CCNC1CCCCCCC1 2230a_100000211152_100000070051 [1,0,0,1,0,0|2,0,0]=4 16483 B13R1.1150 CC=CCNC1CCCCCCC1 34a_100000211152_100000070051 [1,0,0,1,0,0|2,0,0]=4 16484 B13R1.1150 CC=CCOC1CCCCCCC1 34a_100000210054_100000070051 [1,0,0,1,0,0|2,0,0]=4 16485 B13R1.1150 CC=CCOC1CCCCCCC1 7a_100000210054_100000070051 [1,0,0,1,0,0|2,0,0]=4 16486 B13R1.1150 CCNCCC1CCCCCCC1 2230a_100011532352_100000210202 [1,0,0,1,0,0|1,0,1]=4 16487 B13R1.1150 CCNCCC1CCCCCCC1 34a_100011532352_100000210202 [1,0,0,1,0,0|1,0,1]=4 16488 B13R1.1150 CCOCCN1CCCCCCC1 2230a_100000211400_100011215890 [1,0,0,1,0,0|1,0,1]=4 16489 B13R1.1150 CCOCCN1CCCCCCC1 269982a_100000211400_100011215890 [1,0,0,1,0,0|1,0,1]=4 16490 B13R1.1150 CCOCCN1CCCCCCC1 34a_100000211400_100000210147 [1,0,0,1,0,0|1,0,1]=4 16491 B13R1.1150 O=CCCCN1CCCCCCC1 2230a_100000211400_200011292268 [1,0,0,1,0,0|2,0,0]=4 16492 B13R1.1150 O=CCCCN1CCCCCCC1 269982a_100000211400_200011292268 [1,0,0,1,0,0|2,0,0]=4 16493 B13R1.1150 O=CCOCC1CCCCCCC1 34a_100011216312_200009817547 [1,0,0,1,0,0|2,0,0]=4 16494 B13R1.1150 O=CCOCC1CCCCCCC1 7a_100011216312_200015260668 [1,0,0,1,0,0|2,0,0]=4 16495 B13R1.1887 C/C=C/CCOC1CCCCCC1 34a_100016278192_100011217769 [1,0,0,1,0,0|2,0,0]=4 16496 B13R1.1887 C/C=C/CNCC1CCCCCC1 34a_100015204231_100102629194 [1,0,0,1,0,0|2,0,0]=4 16497 B13R1.1887 C/C=C/COCC1CCCCCC1 34a_100000699130_100102629194 [1,0,0,1,0,0|2,0,0]=4 16498 B13R1.1887 C/C=C/COCC1CCCCCC1 34a_100016270725_200000696569 [1,0,0,1,0,0|2,0,0]=4 16499 B13R1.1887 C/C=C/COCC1CCCCCC1 7a_100000699130_100102629194 [1,0,0,1,0,0|2,0,0]=4 16500 B13R1.1887 C/C=C/CSCC1CCCCCC1 62a_100102629194_200000696569 [1,0,0,1,0,0|2,0,0]=4 16501 B13R1.1887 C/C=C/CSCC1CCCCCC1 62a_200000696569_100102629194 [1,0,0,1,0,0|2,0,0]=4 16502 B13R1.1887 C=COCCNC1CCCCCC1 2230a_100000210984_100000039644 [1,0,0,1,0,0|1,0,1]=4 16503 B13R1.1887 C=COCCNC1CCCCCC1 34a_100000210984_100000039644 [1,0,0,1,0,0|1,0,1]=4 16504 B13R1.1887 C=COCCOC1CCCCCC1 34a_100000033082_100011217769 [1,0,0,1,0,0|1,0,1]=4 16505 B13R1.1887 C=COCCOC1CCCCCC1 34a_100000210887_100000039644 [1,0,0,1,0,0|1,0,1]=4 16506 B13R1.1887 C=COCCOC1CCCCCC1 7a_100000210887_100000039644 [1,0,0,1,0,0|1,0,1]=4 16507 B13R1.1887 C=COCCSC1CCCCCC1 62a_100000039644_100011217769 [1,0,0,1,0,0|1,0,1]=4 16508 B13R1.1887 C=COCCSC1CCCCCC1 62a_100011217769_100000039644 [1,0,0,1,0,0|1,0,1]=4 16509 B13R1.1887 CC=CCNCC1CCCCCC1 2230a_100015204231_100000070051 [1,0,0,1,0,0|2,0,0]=4 16510 B13R1.1887 CC=CCNCC1CCCCCC1 34a_100015204231_100000070051 [1,0,0,1,0,0|2,0,0]=4 16511 B13R1.1887 CC=CCOCC1CCCCCC1 34a_100000699130_100000070051 [1,0,0,1,0,0|2,0,0]=4 16512 B13R1.1887 CC=CCOCC1CCCCCC1 7a_100000699130_100000070051 [1,0,0,1,0,0|2,0,0]=4 16513 B13R1.1887 CC=CCSCC1CCCCCC1 62a_100000070051_200000696569 [1,0,0,1,0,0|2,0,0]=4 16514 B13R1.1887 CC=CCSCC1CCCCCC1 62a_200000696569_100000070051 [1,0,0,1,0,0|2,0,0]=4 16515 B13R1.1887 CCCCCCN1CCCOCC1 2230a_100000685342_100000210314 [1,0,0,1,0,0|1,0,1]=4 16516 B13R1.1887 CCCCCCN1CCCOCC1 269982a_100000685342_100000210757 [1,0,0,1,0,0|1,0,1]=4 16517 B13R1.1887 CCCCCCN1CCCOCC1 34a_100000685342_100000210314 [1,0,0,1,0,0|1,0,1]=4 16518 B13R1.1887 CCOCCCN1CCCCCC1 2230a_100000185865_100012232248 [1,0,0,1,0,0|1,0,1]=4 16519 B13R1.1887 CCOCCCN1CCCCCC1 269982a_100000185865_100012232248 [1,0,0,1,0,0|1,0,1]=4 16520 B13R1.1887 CCOCCCN1CCCCCC1 34a_100000185865_100012232248 [1,0,0,1,0,0|1,0,1]=4 16521 B13R1.1887 CCOCCCN1CCCCCC1 34a_100102886287_100000210202 [1,0,0,1,0,0|1,0,1]=4 16522 B13R1.1887 CCOCCCN1CCCCCC1 7a_100102886287_100000210202 [1,0,0,1,0,0|1,0,1]=4 16523 B13R1.1887 CCOCCNC1CCCCCC1 2230a_100000210984_100011215890 [1,0,0,1,0,0|1,0,1]=4 16524 B13R1.1887 CCOCCNC1CCCCCC1 270004a_102516460346_100000210131 [1,0,0,1,0,0|1,0,1]=4 16525 B13R1.1887 CCOCCNC1CCCCCC1 34a_100000210984_100000210147 [1,0,0,1,0,0|1,0,1]=4 16526 B13R1.1887 CCOCCNC1CCCCCC1 34a_102516460346_100011217769 [1,0,0,1,0,0|1,0,1]=4 16527 B13R1.1887 CCOCCOC1CCCCCC1 34a_100000210136_100011217769 [1,0,0,1,0,0|1,0,1]=4 16528 B13R1.1887 CCOCCOC1CCCCCC1 34a_100000210887_100000210147 [1,0,0,1,0,0|1,0,1]=4 16529 B13R1.1887 CCOCCOC1CCCCCC1 7a_100000210887_100011215890 [1,0,0,1,0,0|1,0,1]=4 16530 B13R1.1887 CCOCCSC1CCCCCC1 62a_100000210147_100011217769 [1,0,0,1,0,0|1,0,1]=4 16531 B13R1.1887 CCOCCSC1CCCCCC1 62a_100011217769_100011215890 [1,0,0,1,0,0|1,0,1]=4 16532 B13R1.1887 CCOCSCC1CCCCCC1 62a_100000739092_200000696569 [1,0,0,1,0,0|1,0,1]=4 16533 B13R1.1887 CCOCSCC1CCCCCC1 62a_200000696569_100000739092 [1,0,0,1,0,0|1,0,1]=4 16534 B13R1.1887 O=CCCCCN1CCCCCC1 2230a_100000185865_100000139335 [1,0,0,1,0,0|2,0,0]=4 16535 B13R1.1887 O=CCCCCN1CCCCCC1 269982a_100000185865_100000139335 [1,0,0,1,0,0|2,0,0]=4 16536 B13R1.1887 O=CCCCNC1CCCCCC1 2230a_100000210984_200011292268 [1,0,0,1,0,0|2,0,0]=4 16537 B13R1.1887 O=CCCCOC1CCCCCC1 7a_100000210887_200011292268 [1,0,0,1,0,0|2,0,0]=4 16538 B13R1.1887 O=CCCCSC1CCCCCC1 62a_100011217769_200011292268 [1,0,0,1,0,0|2,0,0]=4 16539 B13R1.1887 O=CCCCSC1CCCCCC1 62a_200011292268_100011217769 [1,0,0,1,0,0|2,0,0]=4 16540 B13R1.1887 O=CCNCCC1CCCCCC1 2230a_100011532351_200015260668 [1,0,0,1,0,0|2,0,0]=4 16541 B13R1.1887 O=CCNCCC1CCCCCC1 34a_100011532351_200009817547 [1,0,0,1,0,0|2,0,0]=4 16542 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [1,0,0,1,0,0|2,0,0]=4 16543 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [1,0,0,1,0,0|1,0,0]=3 16544 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [1,0,0,1,0,0|2,0,0]=4 16545 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [1,0,0,1,0,0|2,0,0]=4 16546 B13R1.6 CCCCCOC1C=C(CCC1)C 34a_100011218613_100000718602 [1,0,0,1,0,0|2,0,0]=4 16547 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [1,0,0,1,0,0|1,0,0]=3 16548 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [1,0,0,1,0,0|2,0,0]=4 16549 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [1,0,0,1,0,0|2,0,0]=4 16550 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [1,0,0,1,0,0|2,0,0]=4 16551 B13R1.6 CCCCOCN1CCOC(=O)C1 2230a_100000131268_100011995733 [1,0,0,1,0,0|2,0,0]=4 16552 B13R1.6 CCCOCCN1CCOC(=O)C1 2230a_100000131268_100011215938 [1,0,0,1,0,0|2,0,0]=4 16553 B13R1.6 CCOCCCN1CCOC(=O)C1 2230a_100000131268_100012232248 [1,0,0,1,0,0|2,0,0]=4 16554 B13R1.6 CCOCCOC1CCCC(=O)C1 34a_100012613340_100000210147 [1,0,0,1,0,0|2,0,0]=4 16555 B13R1.6 CCSCCOC1CCCC(=O)C1 34a_100012613340_100000757381 [1,0,0,1,0,0|2,0,0]=4 16556 B13R1.6 COCCCCN1CCOC(=O)C1 2230a_100000131268_100000730899 [1,0,0,1,0,0|2,0,0]=4 16557 B13R1.6 COCCCOC1CCCC(=O)C1 34a_100012613340_100000740836 [1,0,0,1,0,0|2,0,0]=4 16558 B13R1.6 O=C1CCCC(C1)OCCCCF 34a_100012613340_100000729493 [1,0,0,1,0,0|2,0,0]=4 16559 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [1,0,0,1,0,0|2,0,0]=4 16560 B13R1.6 O=C1CN(CCO1)CCCCCF 2230a_100000131268_100000729378 [1,0,0,1,0,0|2,0,0]=4 16561 B13R1.6 O=C1CN(CCO1)CCCCCO 2230a_100000131268_100000746330 [1,0,0,1,0,0|2,0,0]=4 16562 B13R1.27 CCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210681 [1,0,0,1,0,0|2,0,0]=4 16563 B13R1.27 CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210314 [1,0,0,1,0,0|2,0,0]=4 16564 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [1,0,0,1,0,0|1,0,0]=3 16565 B13R1.27 CCCCCCOC1CNC(=O)C1 34a_100000690082_100000210314 [1,0,0,1,0,0|2,0,0]=4 16566 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [1,0,0,1,0,0|2,0,0]=4 16567 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [1,0,0,1,0,0|2,0,0]=4 16568 B13R1.27 CCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210326 [1,0,0,1,0,0|2,0,0]=4 16569 B13R1.27 CCCCCNCC1CNC(=O)C1 34a_100016993742_100000718602 [1,0,0,1,0,0|2,0,0]=4 16570 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [1,0,0,1,0,0|2,0,0]=4 16571 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [1,0,0,1,0,0|2,0,0]=4 16572 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [1,0,0,1,0,0|2,0,0]=4 16573 B13R1.27 CCCCCNC[C@H]1COC(=O)N1 2230a_100000209983_100015307671 [1,0,0,1,0,0|2,0,0]=4 16574 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [1,0,0,1,0,0|2,0,0]=4 16575 B13R1.27 CCCCCOCC1CNC(=O)C1 34a_100016041077_100000718602 [1,0,0,1,0,0|2,0,0]=4 16576 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [1,0,0,1,0,0|2,0,0]=4 16577 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [1,0,0,1,0,0|2,0,0]=4 16578 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 34a_100000210253_100015307671 [1,0,0,1,0,0|2,0,0]=4 16579 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 7a_100000210253_100015307671 [1,0,0,1,0,0|2,0,0]=4 16580 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [1,0,0,1,0,0|2,0,0]=4 16581 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [1,0,0,1,0,0|2,0,0]=4 16582 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [1,0,0,1,0,0|2,0,0]=4 16583 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [1,0,0,1,0,0|2,0,0]=4 16584 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100000210326_100015307671 [1,0,0,1,0,0|2,0,0]=4 16585 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210326 [1,0,0,1,0,0|2,0,0]=4 16586 B13R1.27 CCCCOCOC1CCC(=O)C1 34a_100012614533_100011995733 [1,0,0,1,0,0|2,0,0]=4 16587 B13R1.27 CCCOCCOC1CCC(=O)C1 34a_100012614533_100011215938 [1,0,0,1,0,0|2,0,0]=4 16588 B13R1.27 CCOCCCOC1CCC(=O)C1 34a_100012614533_100012232248 [1,0,0,1,0,0|2,0,0]=4 16589 B13R1.27 COCCCCOC1CCC(=O)C1 34a_100012614533_100000755781 [1,0,0,1,0,0|2,0,0]=4 16590 B13R1.27 O=C1CCC(C1)OCCCCCF 34a_100012614533_100000729378 [1,0,0,1,0,0|2,0,0]=4 16591 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [1,0,0,1,0,0|2,0,0]=4 16592 B13R1.90 C=C(C)CCN1CCCCC1CC 2230a_100000210034_100000730704 [1,0,0,1,0,0|2,0,0]=4 16593 B13R1.90 C=C(C)CCN1CCCCC1CC 269982a_100000210034_100000730704 [1,0,0,1,0,0|2,0,0]=4 16594 B13R1.90 C=C(C)CCN1CCCCC1CC 34a_100000210034_100000730704 [1,0,0,1,0,0|2,0,0]=4 16595 B13R1.90 C=C(C)COC1CCCCC1CC 34a_100000210738_100000748629 [1,0,0,1,0,0|2,0,0]=4 16596 B13R1.90 C=C(C)COC1CCCCC1CC 7a_100000210738_100000748629 [1,0,0,1,0,0|2,0,0]=4 16597 B13R1.90 CC(=O)CCN1CCCCC1CO 269982a_100000210821_100000053229 [1,0,0,1,0,0|2,0,0]=4 16598 B13R1.90 CC(=O)OCN1CCCCC1CO 269982a_100000210821_100000076356 [1,0,0,1,0,0|2,0,0]=4 16599 B13R1.90 CC(=O)OCN1CCCCC1CO 34a_100000210821_100009813279 [1,0,0,1,0,0|2,0,0]=4 16600 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [1,0,0,1,0,0|2,0,0]=4 16601 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [1,0,0,1,0,0|2,0,0]=4 16602 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [1,0,0,1,0,0|2,0,0]=4 16603 B13R1.90 CCC1CCCCN1CCC(=O)C 269982a_100000210034_100000053229 [1,0,0,1,0,0|1,0,0]=3 16604 B13R1.90 CCC1CCCCN1CCC(=O)N 2230a_100000210034_100000744528 [1,0,0,1,0,0|2,0,0]=4 16605 B13R1.90 CCC1CCCCN1CCC(=O)N 269982a_100000210034_100000744528 [1,0,0,1,0,0|2,0,0]=4 16606 B13R1.90 CCC1CCCCN1CCC(=O)N 34a_100000210034_100000731001 [1,0,0,1,0,0|2,0,0]=4 16607 B13R1.90 CCC1CCCCN1COC(=O)C 269982a_100000210034_100000076356 [1,0,0,1,0,0|1,0,0]=3 16608 B13R1.90 CCC1CCCCN1COC(=O)C 34a_100000210034_100009813279 [1,0,0,1,0,0|1,0,0]=3 16609 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [1,0,0,1,0,0|2,0,0]=4 16610 B13R1.90 CCN1CCCCC1CNC(=O)C 11a_100000754393_100015343762 [1,0,0,1,0,0|2,0,0]=4 16611 B13R1.90 CCN1CCCCC1CNC(=O)C 1626a_100000754393_100015343762 [1,0,0,1,0,0|2,0,0]=4 16612 B13R1.90 CCN1CCCCC1CNC(=O)C 240690a_100000754393_100015343762 [1,0,0,1,0,0|2,0,0]=4 16613 B13R1.90 CCN1CCCCC1CNC(=O)C 527a_100000754393_100103153847 [1,0,0,1,0,0|2,0,0]=4 16614 B13R1.90 CC[C@H]1COCCN1CCC(=O)C 269982a_100016988097_100000053229 [1,0,0,1,0,0|2,0,0]=4 16615 B13R1.90 CC[C@H]1COCCN1COC(=O)C 269982a_100016988097_100000076356 [1,0,0,1,0,0|2,0,0]=4 16616 B13R1.90 CC[C@H]1COCCN1COC(=O)C 34a_100016988097_100009813279 [1,0,0,1,0,0|2,0,0]=4 16617 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100011215641 [1,0,0,1,0,0|2,0,0]=4 16618 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100000685027 [1,0,0,1,0,0|2,0,0]=4 16619 B13R1.103 CC(=O)OCCN1CCC[C@@H]1CO 269982a_100000745186_100009814007 [1,0,0,1,0,0|2,0,0]=4 16620 B13R1.103 CC(=O)OCCN1CCC[C@@H]1CO 34a_100000745186_100009814007 [1,0,0,1,0,0|2,0,0]=4 16621 B13R1.103 CCC1CCCC1NCCC(=O)N 269862a_100000740010_100000749056 [1,0,0,1,0,0|2,0,0]=4 16622 B13R1.103 CCC1CCCN1CCCC(=O)C 269982a_100000754278_100011215641 [1,0,0,1,0,0|1,0,0]=3 16623 B13R1.103 CCC1CCCN1CCCC(=O)C 34a_100000754278_100000685027 [1,0,0,1,0,0|1,0,0]=3 16624 B13R1.103 CCC1CCCN1CCCC(=O)N 269982a_100000754278_100102525003 [1,0,0,1,0,0|2,0,0]=4 16625 B13R1.103 CCC1CCCN1CCCC(=O)N 34a_100000754278_100102525003 [1,0,0,1,0,0|2,0,0]=4 16626 B13R1.103 CCC1CCCN1CCNC(=O)C 2230a_100000754278_100000189650 [1,0,0,1,0,0|2,0,0]=4 16627 B13R1.103 CCC1CCCN1CCNC(=O)C 269982a_100000754278_100000189650 [1,0,0,1,0,0|2,0,0]=4 16628 B13R1.103 CCC1CCCN1CCOC(=O)C 269982a_100000754278_100009814007 [1,0,0,1,0,0|1,0,0]=3 16629 B13R1.103 CCC1CCCN1CCOC(=O)C 34a_100000754278_100009814007 [1,0,0,1,0,0|1,0,0]=3 16630 B13R1.103 CCC1CCCN1CCOC(=O)N 269982a_100000754278_200011214921 [1,0,0,1,0,0|2,0,0]=4 16631 B13R1.103 CCC1CCCN1CCOC(=O)N 34a_100000754278_200011214921 [1,0,0,1,0,0|2,0,0]=4 16632 B13R1.158 C=C(C)CCNC1CCCCC1C 2230a_100000211402_100000730704 [1,0,0,1,0,0|2,0,0]=4 16633 B13R1.158 C=C(C)CCNC1CCCCC1C 34a_100000211402_100000730704 [1,0,0,1,0,0|2,0,0]=4 16634 B13R1.158 C=C(C)CCOC1CCCCC1C 34a_100000211207_100000730704 [1,0,0,1,0,0|2,0,0]=4 16635 B13R1.158 C=C(C)CCOC1CCCCC1C 7a_100000211207_100000730704 [1,0,0,1,0,0|2,0,0]=4 16636 B13R1.158 CC(=O)CCCN1CCCCC1C 269982a_100000211376_100011215641 [1,0,0,1,0,0|1,0,0]=3 16637 B13R1.158 CC(=O)CCCN1CCCCC1C 34a_100000211376_100000685027 [1,0,0,1,0,0|1,0,0]=3 16638 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 269982a_100009815349_100011215641 [1,0,0,1,0,0|2,0,0]=4 16639 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 34a_100009815349_100000685027 [1,0,0,1,0,0|2,0,0]=4 16640 B13R1.158 CC(=O)CCOC1CCCCC1C 7a_100000211207_100000053229 [1,0,0,1,0,0|1,0,0]=3 16641 B13R1.158 CC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000053229 [1,0,0,1,0,0|2,0,0]=4 16642 B13R1.158 CC(=O)CCOC1CCCCC1F 34a_100000759926_100015423560 [1,0,0,1,0,0|2,0,0]=4 16643 B13R1.158 CC(=O)CCOC1CCCCC1O 34a_100000759926_100000038908 [1,0,0,1,0,0|2,0,0]=4 16644 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000053229 [1,0,0,1,0,0|2,0,0]=4 16645 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100000053229_100015423560 [1,0,0,1,0,0|2,0,0]=4 16646 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100015423560_100000053229 [1,0,0,1,0,0|2,0,0]=4 16647 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000038908_100000053229 [1,0,0,1,0,0|2,0,0]=4 16648 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000053229_100000038908 [1,0,0,1,0,0|2,0,0]=4 16649 B13R1.158 CC(=O)COCC1CCCCN1C 34a_100000211253_100015186950 [1,0,0,1,0,0|2,0,0]=4 16650 B13R1.158 CC(=O)NCCC1CCCCN1C 2230a_200011221479_200000210301 [1,0,0,1,0,0|2,0,0]=4 16651 B13R1.158 CC(=O)NCCC1CCCCN1C 269982a_200011221479_200000210301 [1,0,0,1,0,0|2,0,0]=4 16652 B13R1.158 CC(=O)NCCC1CCCCN1C 34a_200011221479_200000210301 [1,0,0,1,0,0|2,0,0]=4 16653 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 2230a_200011221479_200025704644 [1,0,0,1,0,0|2,0,0]=4 16654 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 269982a_200011221479_200025704644 [1,0,0,1,0,0|2,0,0]=4 16655 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 34a_200011221479_200025704644 [1,0,0,1,0,0|2,0,0]=4 16656 B13R1.158 CC(=O)NCCN1CCCCC1C 2230a_100000211376_100000189650 [1,0,0,1,0,0|2,0,0]=4 16657 B13R1.158 CC(=O)NCCN1CCCCC1C 240690a_100000739827_100015343762 [1,0,0,1,0,0|2,0,0]=4 16658 B13R1.158 CC(=O)NCCN1CCCCC1C 269982a_100000211376_100000189650 [1,0,0,1,0,0|2,0,0]=4 16659 B13R1.158 CC(=O)NCCN1CCCCC1C 527a_100000739827_100103153847 [1,0,0,1,0,0|2,0,0]=4 16660 B13R1.158 CC(=O)OCCN1CCCCC1C 269982a_100000211376_100009814007 [1,0,0,1,0,0|1,0,0]=3 16661 B13R1.158 CC(=O)OCCN1CCCCC1C 34a_100000211376_100009814007 [1,0,0,1,0,0|1,0,0]=3 16662 B13R1.158 CC(=O)OCCN1CCOC[C@@H]1C 269982a_100009815349_100009814007 [1,0,0,1,0,0|2,0,0]=4 16663 B13R1.158 CC(=O)OCCN1CCOC[C@@H]1C 34a_100009815349_100009814007 [1,0,0,1,0,0|2,0,0]=4 16664 B13R1.158 CC(=O)OCNC1CCCCC1C 34a_100000211402_100009813279 [1,0,0,1,0,0|1,0,0]=3 16665 B13R1.158 CC(=O)OCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009813279 [1,0,0,1,0,0|2,0,0]=4 16666 B13R1.158 CC(=O)OCOC1CCCCC1C 34a_100000211207_100009813279 [1,0,0,1,0,0|1,0,0]=3 16667 B13R1.158 CC(=O)OCOC1CCCCC1Cl 34a_100000038908_100009813279 [1,0,0,1,0,0|2,0,0]=4 16668 B13R1.158 CC(=O)OCOC1CCNCC1C 34a_100011998114_100009813279 [1,0,0,1,0,0|2,0,0]=4 16669 B13R1.158 CC(=O)OCOC1CNCCC1C 34a_100000696640_100009813279 [1,0,0,1,0,0|2,0,0]=4 16670 B13R1.158 CC(=O)OCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009813279 [1,0,0,1,0,0|2,0,0]=4 16671 B13R1.158 CC(=O)OCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009813279 [1,0,0,1,0,0|2,0,0]=4 16672 B13R1.158 CC(=O)OCSC1CCCCC1F 62a_100000076356_100015423560 [1,0,0,1,0,0|2,0,0]=4 16673 B13R1.158 CC(=O)OCSC1CCCCC1F 62a_100015423560_100000076356 [1,0,0,1,0,0|2,0,0]=4 16674 B13R1.158 CC(=O)OCSC1CCCCC1O 62a_100000038908_100000076356 [1,0,0,1,0,0|2,0,0]=4 16675 B13R1.158 CC(=O)OCSC1CCCCC1O 62a_100000076356_100000038908 [1,0,0,1,0,0|2,0,0]=4 16676 B13R1.158 CC1CCCCC1NCCC(=O)N 2230a_100000211402_100000744528 [1,0,0,1,0,0|2,0,0]=4 16677 B13R1.158 CC1CCCCC1NCCC(=O)N 269862a_100000740010_100000210921 [1,0,0,1,0,0|2,0,0]=4 16678 B13R1.158 CC1CCCCC1NCCC(=O)N 34a_100000211402_100000731001 [1,0,0,1,0,0|2,0,0]=4 16679 B13R1.158 CC1CCCCC1OCCC(=O)N 34a_100000211207_100000731001 [1,0,0,1,0,0|2,0,0]=4 16680 B13R1.158 CC1CCCCC1OCCC(=O)N 7a_100000211207_100000744528 [1,0,0,1,0,0|2,0,0]=4 16681 B13R1.158 CC1CCCCN1CCCC(=O)N 269982a_100000211376_100102525003 [1,0,0,1,0,0|2,0,0]=4 16682 B13R1.158 CC1CCCCN1CCCC(=O)N 34a_100000211376_100102525003 [1,0,0,1,0,0|2,0,0]=4 16683 B13R1.158 CC1CCCCN1CCOC(=O)N 269982a_100000211376_200011214921 [1,0,0,1,0,0|2,0,0]=4 16684 B13R1.158 CC1CCCCN1CCOC(=O)N 34a_100000211376_200011214921 [1,0,0,1,0,0|2,0,0]=4 16685 B13R1.167 CC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000735457 [1,0,0,1,0,0|1,0,0]=3 16686 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000735457 [1,0,0,1,0,0|1,0,0]=3 16687 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100009817362 [1,0,0,1,0,0|1,0,0]=3 16688 B13R1.167 CC(=O)CCCCN1CCSC1C 269982a_200011216479_100000735457 [1,0,0,1,0,0|2,0,0]=4 16689 B13R1.167 CC(=O)CCCCN1CCSC1C 34a_200011216479_100009817362 [1,0,0,1,0,0|2,0,0]=4 16690 B13R1.167 CC(=O)CCCOC1CCCC1C 34a_100011216460_100000685027 [1,0,0,1,0,0|1,0,0]=3 16691 B13R1.167 CC(=O)CCCOC1CCCC1C 7a_100011216460_100011215641 [1,0,0,1,0,0|1,0,0]=3 16692 B13R1.167 CC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000685027 [1,0,0,1,0,0|2,0,0]=4 16693 B13R1.167 CC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000685027 [1,0,0,1,0,0|2,0,0]=4 16694 B13R1.167 CC(=O)CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000685027 [1,0,0,1,0,0|2,0,0]=4 16695 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100011215641_200016002552 [1,0,0,1,0,0|2,0,0]=4 16696 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215641 [1,0,0,1,0,0|2,0,0]=4 16697 B13R1.167 CC(=O)COCCC1CCCN1C 34a_100000211253_100000005710 [1,0,0,1,0,0|2,0,0]=4 16698 B13R1.167 CC(=O)NCCNC1CCCC1C 269862a_100000209853_100000752053 [1,0,0,1,0,0|2,0,0]=4 16699 B13R1.167 CC(=O)NCCOC1CCCC1C 7a_100011216460_100000189650 [1,0,0,1,0,0|2,0,0]=4 16700 B13R1.167 CC(=O)OCCCN1CCC[C@@H]1C 269982a_100020605311_100000042594 [1,0,0,1,0,0|1,0,0]=3 16701 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 269982a_100015189458_100000042594 [1,0,0,1,0,0|1,0,0]=3 16702 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 34a_100015189458_100000042594 [1,0,0,1,0,0|1,0,0]=3 16703 B13R1.167 CC(=O)OCCCN1CCSC1C 269982a_200011216479_100000042594 [1,0,0,1,0,0|2,0,0]=4 16704 B13R1.167 CC(=O)OCCCN1CCSC1C 34a_200011216479_100000042594 [1,0,0,1,0,0|2,0,0]=4 16705 B13R1.167 CC(=O)OCCOC1CCCC1C 34a_100011216460_100009814007 [1,0,0,1,0,0|1,0,0]=3 16706 B13R1.167 CC(=O)OCCOC1CCCC1C 7a_100011216460_100009814007 [1,0,0,1,0,0|1,0,0]=3 16707 B13R1.167 CC(=O)OCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009814007 [1,0,0,1,0,0|2,0,0]=4 16708 B13R1.167 CC(=O)OCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009814007 [1,0,0,1,0,0|2,0,0]=4 16709 B13R1.167 CC(=O)OCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009814007 [1,0,0,1,0,0|2,0,0]=4 16710 B13R1.167 CC(=O)OCCS[C@@H]1CCC[C@H]1O 62a_100009814007_200016002552 [1,0,0,1,0,0|2,0,0]=4 16711 B13R1.167 CC(=O)OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009814007 [1,0,0,1,0,0|2,0,0]=4 16712 B13R1.167 CC(=O)OCOCC1CCCN1C 34a_100000743107_100009813279 [1,0,0,1,0,0|2,0,0]=4 16713 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 2230a_100020605311_100000038929 [1,0,0,1,0,0|1,1,0]=4 16714 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 269982a_100020605311_100000038929 [1,0,0,1,0,0|1,1,0]=4 16715 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 2230a_100015189458_100000038929 [1,0,0,1,0,0|1,1,0]=4 16716 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 269982a_100015189458_100000038929 [1,0,0,1,0,0|1,1,0]=4 16717 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 34a_100015189458_100000038929 [1,0,0,1,0,0|1,1,0]=4 16718 B13R1.167 CC(=O)SCCNC1CCCC1C 269862a_100020647217_100000752053 [1,0,0,1,0,0|1,1,0]=4 16719 B13R1.167 CC(=S)OCCCN1CCC[C@@H]1C 2230a_100020605311_200135323944 [1,0,0,1,0,0|1,1,0]=4 16720 B13R1.167 CC(=S)OCCCN1CCC[C@@H]1C 269982a_100020605311_200135323944 [1,0,0,1,0,0|1,1,0]=4 16721 B13R1.167 CC(=S)OCCCN1CCC[C@H]1C 2230a_100015189458_200135323944 [1,0,0,1,0,0|1,1,0]=4 16722 B13R1.167 CC(=S)OCCCN1CCC[C@H]1C 269982a_100015189458_200135323944 [1,0,0,1,0,0|1,1,0]=4 16723 B13R1.167 CC(=S)OCCCN1CCC[C@H]1C 34a_100015189458_200135323944 [1,0,0,1,0,0|1,1,0]=4 16724 B13R1.167 CC1CCCC1NCCCC(=O)N 269862a_100000739312_100000752053 [1,0,0,1,0,0|2,0,0]=4 16725 B13R1.167 CC1CCCC1OCCCC(=O)N 34a_100011216460_100102525003 [1,0,0,1,0,0|2,0,0]=4 16726 B13R1.167 CC1CCCC1OCCCC(=O)N 7a_100011216460_100102525003 [1,0,0,1,0,0|2,0,0]=4 16727 B13R1.167 CC1CCCC1OCCOC(=O)N 34a_100011216460_200011214921 [1,0,0,1,0,0|2,0,0]=4 16728 B13R1.167 CC1CCCC1OCCOC(=O)N 7a_100011216460_200011214921 [1,0,0,1,0,0|2,0,0]=4 16729 B13R1.198 CC(=O)CCCCOCC1CC1C 34a_100000744939_100009817362 [1,0,0,1,0,0|1,0,0]=3 16730 B13R1.198 CC(=O)CCCCOCC1CC1C 7a_100000744939_100000735457 [1,0,0,1,0,0|1,0,0]=3 16731 B13R1.198 CC(=O)OCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000033659 [1,0,0,1,0,0|2,0,0]=4 16732 B13R1.198 CC(=O)OCCCOCC1CC1C 34a_100000744939_100000042594 [1,0,0,1,0,0|1,0,0]=3 16733 B13R1.198 CC(=O)OCCCOCC1CC1C 7a_100000744939_100000042594 [1,0,0,1,0,0|1,0,0]=3 16734 B13R1.198 CC(=O)SCCCOCC1CC1C 34a_100000744939_100000038929 [1,0,0,1,0,0|1,1,0]=4 16735 B13R1.198 CC(=O)SCCCOCC1CC1C 7a_100000744939_100000038929 [1,0,0,1,0,0|1,1,0]=4 16736 B13R1.198 CC(=S)OCCCOCC1CC1C 34a_100000744939_200135323944 [1,0,0,1,0,0|1,1,0]=4 16737 B13R1.198 CC(=S)OCCCOCC1CC1C 7a_100000744939_200135323944 [1,0,0,1,0,0|1,1,0]=4 16738 B13R1.218 COCC1CCN1CCCC(=O)C 269982a_100015195929_100011215641 [1,0,0,1,0,0|2,0,0]=4 16739 B13R1.218 COCC1CCN1CCCC(=O)C 34a_100015195929_100000685027 [1,0,0,1,0,0|2,0,0]=4 16740 B13R1.218 COCC1CCN1CCOC(=O)C 269982a_100015195929_100009814007 [1,0,0,1,0,0|2,0,0]=4 16741 B13R1.218 COCC1CCN1CCOC(=O)C 34a_100015195929_100009814007 [1,0,0,1,0,0|2,0,0]=4 16742 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [1,0,0,1,0,0|2,0,0]=4 16743 B13R1.297 CC(=O)OCCCCN1CCC1C 269982a_100000755817_100000033659 [1,0,0,1,0,0|1,0,0]=3 16744 B13R1.297 CC(=O)OCCCCN1CCC1C 34a_100000755817_100000033659 [1,0,0,1,0,0|1,0,0]=3 16745 B13R1.297 CC(=O)OCCOCN1CCC1C 269982a_100000755817_100000076355 [1,0,0,1,0,0|2,0,0]=4 16746 B13R1.297 CC(=O)OCCOCN1CCC1C 34a_100000755817_100000076355 [1,0,0,1,0,0|2,0,0]=4 16747 B13R1.297 CC(=O)SCCCCN1CCC1C 269982a_100000755817_200010402107 [1,0,0,1,0,0|1,1,0]=4 16748 B13R1.297 CC(=O)SCCCCN1CCC1C 34a_100000755817_200010402107 [1,0,0,1,0,0|1,1,0]=4 16749 B13R1.297 CC1CCN1CCCCCC(=O)N 269982a_100000755817_100009817443 [1,0,0,1,0,0|2,0,0]=4 16750 B13R1.297 CC1CCN1CCCCCC(=O)N 34a_100000755817_100009817443 [1,0,0,1,0,0|2,0,0]=4 16751 B13R1.337 C=C(C)CCNCC1CCCCC1 2230a_100000210473_100000730704 [1,0,0,1,0,0|2,0,0]=4 16752 B13R1.337 C=C(C)CCNCC1CCCCC1 34a_100000210473_100000730704 [1,0,0,1,0,0|2,0,0]=4 16753 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000212181_100000730704 [1,0,0,1,0,0|2,0,0]=4 16754 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000764851_100000211423 [1,0,0,1,0,0|2,0,0]=4 16755 B13R1.337 C=C(C)CCOCC1CCCCC1 7a_100000212181_100000730704 [1,0,0,1,0,0|2,0,0]=4 16756 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000211423_100000730704 [1,0,0,1,0,0|2,0,0]=4 16757 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000730704_100000211423 [1,0,0,1,0,0|2,0,0]=4 16758 B13R1.337 C=C(C)CNCCC1CCCCC1 2230a_100000738074_100000748629 [1,0,0,1,0,0|2,0,0]=4 16759 B13R1.337 C=C(C)CNCCC1CCCCC1 34a_100000738074_100000748629 [1,0,0,1,0,0|2,0,0]=4 16760 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100000210245_100011209188 [1,0,0,1,0,0|2,0,0]=4 16761 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100011217863_100000748629 [1,0,0,1,0,0|2,0,0]=4 16762 B13R1.337 C=C(C)COCCC1CCCCC1 7a_100011217863_100000748629 [1,0,0,1,0,0|2,0,0]=4 16763 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100000748629_100012355289 [1,0,0,1,0,0|2,0,0]=4 16764 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100012355289_100000211660 [1,0,0,1,0,0|2,0,0]=4 16765 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [1,0,0,1,0,0|0,0,0]=2 16766 B13R1.337 CC(=O)CCCCN1CCCCC1 1458a_100000754417_200000210301 [1,0,0,1,0,0|1,0,0]=3 16767 B13R1.337 CC(=O)CCCCN1CCCOC1 269982a_100000131196_100000735457 [1,0,0,1,0,0|2,0,0]=4 16768 B13R1.337 CC(=O)CCCCN1CCCOC1 34a_100000131196_100009817362 [1,0,0,1,0,0|2,0,0]=4 16769 B13R1.337 CC(=O)CCCCN1CCOCC1 269982a_100015191051_100000735457 [1,0,0,1,0,0|2,0,0]=4 16770 B13R1.337 CC(=O)CCCCN1CCOCC1 34a_100015191051_100009817362 [1,0,0,1,0,0|2,0,0]=4 16771 B13R1.337 CC(=O)CCCCN1CCSCC1 269982a_100000737611_100000735457 [1,0,0,1,0,0|2,0,0]=4 16772 B13R1.337 CC(=O)CCCNC1CCCCC1 34a_100000182618_100000685027 [1,0,0,1,0,0|1,0,0]=3 16773 B13R1.337 CC(=O)CCCNC1CCCOC1 34a_100000719290_100000685027 [1,0,0,1,0,0|2,0,0]=4 16774 B13R1.337 CC(=O)CCCNC1CCOCC1 34a_100000741149_100000685027 [1,0,0,1,0,0|2,0,0]=4 16775 B13R1.337 CC(=O)CCCNC1CCSCC1 34a_100000748639_100000685027 [1,0,0,1,0,0|2,0,0]=4 16776 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000210231_100000685027 [1,0,0,1,0,0|1,0,0]=3 16777 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000759063_100000210327 [1,0,0,1,0,0|1,0,0]=3 16778 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000210231_100011215641 [1,0,0,1,0,0|1,0,0]=3 16779 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000759063_100000210327 [1,0,0,1,0,0|1,0,0]=3 16780 B13R1.337 CC(=O)CCCOC1CCCCO1 1458a_100000070787_100000700653 [1,0,0,1,0,0|2,0,0]=4 16781 B13R1.337 CC(=O)CCCOC1CCCCO1 34a_100000033831_100000685027 [1,0,0,1,0,0|2,0,0]=4 16782 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000754041_100000685027 [1,0,0,1,0,0|2,0,0]=4 16783 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000759063_100000693364 [1,0,0,1,0,0|2,0,0]=4 16784 B13R1.337 CC(=O)CCCOC1CCCOC1 7a_100000759063_100000693364 [1,0,0,1,0,0|2,0,0]=4 16785 B13R1.337 CC(=O)CCCOC1CCCSC1 7a_100015962668_100011215641 [1,0,0,1,0,0|2,0,0]=4 16786 B13R1.337 CC(=O)CCCOC1CCOCC1 34a_100000744328_100000685027 [1,0,0,1,0,0|2,0,0]=4 16787 B13R1.337 CC(=O)CCCOC1CCOCC1 7a_100000759063_100000686592 [1,0,0,1,0,0|2,0,0]=4 16788 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000731022_100000685027 [1,0,0,1,0,0|2,0,0]=4 16789 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000759063_100000069128 [1,0,0,1,0,0|2,0,0]=4 16790 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000731022_100011215641 [1,0,0,1,0,0|2,0,0]=4 16791 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000759063_100011500858 [1,0,0,1,0,0|2,0,0]=4 16792 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100000210327_100011215641 [1,0,0,1,0,0|1,0,0]=3 16793 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100011215641_100000210327 [1,0,0,1,0,0|1,0,0]=3 16794 B13R1.337 CC(=O)CCCSC1CCCOC1 62a_100011215641_100000693364 [1,0,0,1,0,0|2,0,0]=4 16795 B13R1.337 CC(=O)CCCSC1CCOCC1 62a_100011215641_100011324220 [1,0,0,1,0,0|2,0,0]=4 16796 B13R1.337 CC(=O)CCCSC1CCSCC1 62a_100011215641_100000069128 [1,0,0,1,0,0|2,0,0]=4 16797 B13R1.337 CC(=O)CCOCC1CCCCC1 34a_100000759926_100000211423 [1,0,0,1,0,0|1,0,0]=3 16798 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000212181_100000053229 [1,0,0,1,0,0|1,0,0]=3 16799 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000759926_100000211423 [1,0,0,1,0,0|1,0,0]=3 16800 B13R1.337 CC(=O)CCOCC1CCCCO1 34a_100000759926_100000211543 [1,0,0,1,0,0|2,0,0]=4 16801 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000211370_100000053229 [1,0,0,1,0,0|2,0,0]=4 16802 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000759926_100000211543 [1,0,0,1,0,0|2,0,0]=4 16803 B13R1.337 CC(=O)CCOCC1CCCOC1 34a_100000759926_100000741521 [1,0,0,1,0,0|2,0,0]=4 16804 B13R1.337 CC(=O)CCOCC1CCCOC1 7a_100000759926_100000741521 [1,0,0,1,0,0|2,0,0]=4 16805 B13R1.337 CC(=O)CCOCC1CCOCC1 34a_100000759926_100000754603 [1,0,0,1,0,0|2,0,0]=4 16806 B13R1.337 CC(=O)CCOCC1CCOCC1 7a_100000759926_100000754603 [1,0,0,1,0,0|2,0,0]=4 16807 B13R1.337 CC(=O)CCOCC1CCSCC1 7a_100000070558_100000053229 [1,0,0,1,0,0|2,0,0]=4 16808 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000053229_100000211423 [1,0,0,1,0,0|1,0,0]=3 16809 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000211423_100000053229 [1,0,0,1,0,0|1,0,0]=3 16810 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000053229_100000211543 [1,0,0,1,0,0|2,0,0]=4 16811 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000211543_100000053229 [1,0,0,1,0,0|2,0,0]=4 16812 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000053229_100000741521 [1,0,0,1,0,0|2,0,0]=4 16813 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000741521_100000053229 [1,0,0,1,0,0|2,0,0]=4 16814 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000053229_100000749018 [1,0,0,1,0,0|2,0,0]=4 16815 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000754603_100000053229 [1,0,0,1,0,0|2,0,0]=4 16816 B13R1.337 CC(=O)COCCC1CCCCC1 34a_100000211253_100011209188 [1,0,0,1,0,0|1,0,0]=3 16817 B13R1.337 CC(=O)COCCC1CCOCC1 34a_100000211253_100011934994 [1,0,0,1,0,0|2,0,0]=4 16818 B13R1.337 CC(=O)COCCN1CCCCC1 34a_100000211253_100000739454 [1,0,0,1,0,0|2,0,0]=4 16819 B13R1.337 CC(=O)COCOC1CCCCC1 34a_100000211253_100011935260 [1,0,0,1,0,0|2,0,0]=4 16820 B13R1.337 CC(=O)NCCCC1CCCCC1 11a_100011211642_100015343762 [1,0,0,1,0,0|1,0,0]=3 16821 B13R1.337 CC(=O)NCCCC1CCCCC1 1626a_100011211642_100015343762 [1,0,0,1,0,0|1,0,0]=3 16822 B13R1.337 CC(=O)NCCCC1CCCCC1 240690a_100011211642_100015343762 [1,0,0,1,0,0|1,0,0]=3 16823 B13R1.337 CC(=O)NCCCC1CCCCC1 527a_100011211642_100103153847 [1,0,0,1,0,0|1,0,0]=3 16824 B13R1.337 CC(=O)NCCCN1CCCCC1 240690a_100000204581_100015343762 [1,0,0,1,0,0|2,0,0]=4 16825 B13R1.337 CC(=O)NCCCN1CCCCC1 527a_100000204581_100103153847 [1,0,0,1,0,0|2,0,0]=4 16826 B13R1.337 CC(=O)NCCNC1CCCCC1 2230a_100000182618_100000189650 [1,0,0,1,0,0|2,0,0]=4 16827 B13R1.337 CC(=O)NCCOC1CCCCC1 11a_100015206981_100015343762 [1,0,0,1,0,0|2,0,0]=4 16828 B13R1.337 CC(=O)NCCOC1CCCCC1 1626a_100015206981_100015343762 [1,0,0,1,0,0|2,0,0]=4 16829 B13R1.337 CC(=O)NCCOC1CCCCC1 240690a_100015206981_100015343762 [1,0,0,1,0,0|2,0,0]=4 16830 B13R1.337 CC(=O)NCCOC1CCCCC1 34a_100000158858_100000210327 [1,0,0,1,0,0|2,0,0]=4 16831 B13R1.337 CC(=O)NCCOC1CCCCC1 527a_100015206981_100103153847 [1,0,0,1,0,0|2,0,0]=4 16832 B13R1.337 CC(=O)NCCOC1CCCCC1 7a_100000210231_100000189650 [1,0,0,1,0,0|2,0,0]=4 16833 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000189650_100000210327 [1,0,0,1,0,0|2,0,0]=4 16834 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000210327_100000189650 [1,0,0,1,0,0|2,0,0]=4 16835 B13R1.337 CC(=O)OCCCN1CCCOC1 269982a_100000131196_100000042594 [1,0,0,1,0,0|2,0,0]=4 16836 B13R1.337 CC(=O)OCCCN1CCCOC1 34a_100000131196_100000042594 [1,0,0,1,0,0|2,0,0]=4 16837 B13R1.337 CC(=O)OCCCN1CCOCC1 269982a_100015191051_100000042594 [1,0,0,1,0,0|2,0,0]=4 16838 B13R1.337 CC(=O)OCCCN1CCOCC1 34a_100015191051_100000042594 [1,0,0,1,0,0|2,0,0]=4 16839 B13R1.337 CC(=O)OCCCN1CCSCC1 269982a_100000737611_100000042594 [1,0,0,1,0,0|2,0,0]=4 16840 B13R1.337 CC(=O)OCCNC1CCCCC1 34a_100000182618_100009814007 [1,0,0,1,0,0|1,0,0]=3 16841 B13R1.337 CC(=O)OCCNC1CCCOC1 34a_100000719290_100009814007 [1,0,0,1,0,0|2,0,0]=4 16842 B13R1.337 CC(=O)OCCNC1CCOCC1 34a_100000741149_100009814007 [1,0,0,1,0,0|2,0,0]=4 16843 B13R1.337 CC(=O)OCCNC1CCSCC1 34a_100000748639_100009814007 [1,0,0,1,0,0|2,0,0]=4 16844 B13R1.337 CC(=O)OCCOC1CCCCC1 34a_100000210231_100009814007 [1,0,0,1,0,0|1,0,0]=3 16845 B13R1.337 CC(=O)OCCOC1CCCCC1 7a_100000210231_100009814007 [1,0,0,1,0,0|1,0,0]=3 16846 B13R1.337 CC(=O)OCCOC1CCCCO1 34a_100000033831_100009814007 [1,0,0,1,0,0|2,0,0]=4 16847 B13R1.337 CC(=O)OCCOC1CCCOC1 34a_100000754041_100009814007 [1,0,0,1,0,0|2,0,0]=4 16848 B13R1.337 CC(=O)OCCOC1CCCSC1 7a_100015962668_100009814007 [1,0,0,1,0,0|2,0,0]=4 16849 B13R1.337 CC(=O)OCCOC1CCOCC1 34a_100000744328_100009814007 [1,0,0,1,0,0|2,0,0]=4 16850 B13R1.337 CC(=O)OCCOC1CCSCC1 34a_100000731022_100009814007 [1,0,0,1,0,0|2,0,0]=4 16851 B13R1.337 CC(=O)OCCOC1CCSCC1 7a_100000731022_100009814007 [1,0,0,1,0,0|2,0,0]=4 16852 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100000210327_100009814007 [1,0,0,1,0,0|1,0,0]=3 16853 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100009814007_100000210327 [1,0,0,1,0,0|1,0,0]=3 16854 B13R1.337 CC(=O)OCCSC1CCCOC1 62a_100009814007_100000693364 [1,0,0,1,0,0|2,0,0]=4 16855 B13R1.337 CC(=O)OCCSC1CCOCC1 62a_100009814007_100011324220 [1,0,0,1,0,0|2,0,0]=4 16856 B13R1.337 CC(=O)OCCSC1CCSCC1 62a_100009814007_100000069128 [1,0,0,1,0,0|2,0,0]=4 16857 B13R1.337 CC(=O)OCNCC1CCCCC1 34a_100000210473_100009813279 [1,0,0,1,0,0|1,0,0]=3 16858 B13R1.337 CC(=O)OCNCC1CCCCO1 34a_100000174945_100009813279 [1,0,0,1,0,0|2,0,0]=4 16859 B13R1.337 CC(=O)OCNCC1CCCOC1 34a_100000720124_100009813279 [1,0,0,1,0,0|2,0,0]=4 16860 B13R1.337 CC(=O)OCNCC1CCOCC1 34a_100000746373_100009813279 [1,0,0,1,0,0|2,0,0]=4 16861 B13R1.337 CC(=O)OCNCC1CCSCC1 34a_100015188806_100009813279 [1,0,0,1,0,0|2,0,0]=4 16862 B13R1.337 CC(=O)OCOCC1CCCCC1 34a_100000212181_100009813279 [1,0,0,1,0,0|1,0,0]=3 16863 B13R1.337 CC(=O)OCOCC1CCCCN1 34a_100000210821_100009813279 [1,0,0,1,0,0|2,0,0]=4 16864 B13R1.337 CC(=O)OCOCC1CCCCO1 34a_100000211370_100009813279 [1,0,0,1,0,0|2,0,0]=4 16865 B13R1.337 CC(=O)OCOCC1CCCNC1 34a_100000211344_100009813279 [1,0,0,1,0,0|2,0,0]=4 16866 B13R1.337 CC(=O)OCOCC1CCCOC1 34a_100000741520_100009813279 [1,0,0,1,0,0|2,0,0]=4 16867 B13R1.337 CC(=O)OCOCC1CCNCC1 34a_100000738675_100009813279 [1,0,0,1,0,0|2,0,0]=4 16868 B13R1.337 CC(=O)OCOCC1CCOCC1 34a_100000749013_100009813279 [1,0,0,1,0,0|2,0,0]=4 16869 B13R1.337 CC(=O)OCOCC1CCSCC1 34a_100000070558_100009813279 [1,0,0,1,0,0|2,0,0]=4 16870 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000076356_100000211423 [1,0,0,1,0,0|1,0,0]=3 16871 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000211423_100000076356 [1,0,0,1,0,0|1,0,0]=3 16872 B13R1.337 CC(=O)OCSCC1CCCCO1 62a_100000076356_100000211543 [1,0,0,1,0,0|2,0,0]=4 16873 B13R1.337 CC(=O)OCSCC1CCCCO1 62a_100000211543_100000076356 [1,0,0,1,0,0|2,0,0]=4 16874 B13R1.337 CC(=O)OCSCC1CCCOC1 62a_100000076356_100000741521 [1,0,0,1,0,0|2,0,0]=4 16875 B13R1.337 CC(=O)OCSCC1CCCOC1 62a_100000741521_100000076356 [1,0,0,1,0,0|2,0,0]=4 16876 B13R1.337 CC(=O)OCSCC1CCOCC1 62a_100000076356_100000749018 [1,0,0,1,0,0|2,0,0]=4 16877 B13R1.337 CC(=O)OCSCC1CCOCC1 62a_100000754603_100000076356 [1,0,0,1,0,0|2,0,0]=4 16878 B13R1.337 CC(C)OCCCC1CCCCC1 34a_100000198086_100000210206 [1,0,0,1,0,0|1,0,1]=4 16879 B13R1.337 CC(C)OCCCC1CCCCC1 34a_100000212225_100011713725 [1,0,0,1,0,0|1,0,1]=4 16880 B13R1.337 CC(C)OCCCC1CCCCC1 7a_100000198086_100000210206 [1,0,0,1,0,0|1,0,1]=4 16881 B13R1.337 CS(=O)CCCNC1CCCCC1 270004a_200000753449_100000210434 [1,0,0,1,0,0|2,0,0]=4 16882 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000182618_100102525003 [1,0,0,1,0,0|2,0,0]=4 16883 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000739312_100000210327 [1,0,0,1,0,0|2,0,0]=4 16884 B13R1.337 NC(=O)CCCOC1CCCCC1 34a_100000210231_100102525003 [1,0,0,1,0,0|2,0,0]=4 16885 B13R1.337 NC(=O)CCCOC1CCCCC1 7a_100000210231_100102525003 [1,0,0,1,0,0|2,0,0]=4 16886 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100000210327_100102525003 [1,0,0,1,0,0|2,0,0]=4 16887 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100102525003_100000210327 [1,0,0,1,0,0|2,0,0]=4 16888 B13R1.337 NC(=O)CCNCC1CCCCC1 2230a_100000210473_100000744528 [1,0,0,1,0,0|2,0,0]=4 16889 B13R1.337 NC(=O)CCNCC1CCCCC1 269862a_100000740010_100000211278 [1,0,0,1,0,0|2,0,0]=4 16890 B13R1.337 NC(=O)CCNCC1CCCCC1 34a_100000210473_100000731001 [1,0,0,1,0,0|2,0,0]=4 16891 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000212181_100000731001 [1,0,0,1,0,0|2,0,0]=4 16892 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000757172_100000211423 [1,0,0,1,0,0|2,0,0]=4 16893 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000212181_100000744528 [1,0,0,1,0,0|2,0,0]=4 16894 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000757172_100000211423 [1,0,0,1,0,0|2,0,0]=4 16895 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000211423_100000744528 [1,0,0,1,0,0|2,0,0]=4 16896 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000744528_100000211423 [1,0,0,1,0,0|2,0,0]=4 16897 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000711301_100012355289 [1,0,0,1,0,0|2,0,0]=4 16898 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747473 [1,0,0,1,0,0|2,0,0]=4 16899 B13R1.337 NC(=O)CNCCC1CCCCC1 34a_100000738074_100000187820 [1,0,0,1,0,0|2,0,0]=4 16900 B13R1.337 NC(=O)COCCC1CCCCC1 34a_100011217863_100000187820 [1,0,0,1,0,0|2,0,0]=4 16901 B13R1.337 NC(=O)COCCC1CCCCC1 7a_100011217863_100000187820 [1,0,0,1,0,0|2,0,0]=4 16902 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100000747473_100012355289 [1,0,0,1,0,0|2,0,0]=4 16903 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100012355289_100000747473 [1,0,0,1,0,0|2,0,0]=4 16904 B13R1.337 NC(=O)OCCNC1CCCCC1 34a_100000182618_200011214921 [1,0,0,1,0,0|2,0,0]=4 16905 B13R1.337 NC(=O)OCCOC1CCCCC1 34a_100000210231_200011214921 [1,0,0,1,0,0|2,0,0]=4 16906 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000210231_200011214921 [1,0,0,1,0,0|2,0,0]=4 16907 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000766696_100000210327 [1,0,0,1,0,0|2,0,0]=4 16908 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_100000210327_200011214921 [1,0,0,1,0,0|2,0,0]=4 16909 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_200011214921_100000210327 [1,0,0,1,0,0|2,0,0]=4 16910 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [1,0,0,1,0,0|2,0,0]=4 16911 B13R1.337 O=C([O-])CNCCC1CCCCC1 34a_100000738074_100020667443 [1,0,0,1,0,0|2,0,0]=4 16912 B13R1.337 O=C([O-])COCCC1CCCCC1 34a_100011217863_100020667443 [1,0,0,1,0,0|2,0,0]=4 16913 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100012355289_100020667443 [1,0,0,1,0,0|2,0,0]=4 16914 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100020667443_100012355289 [1,0,0,1,0,0|2,0,0]=4 16915 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [1,0,0,1,0,0|0,0,0]=2 16916 B13R1.337 [13CH3]C(=O)CCCCN1CCCCC1 1458a_100000754417_200025704644 [1,0,0,1,0,0|1,0,0]=3 16917 B13R1.343 C=C(C)CCNCCC1CCCC1 2230a_100000739158_100000730704 [1,0,0,1,0,0|2,0,0]=4 16918 B13R1.343 C=C(C)CCNCCC1CCCC1 34a_100000739158_100000730704 [1,0,0,1,0,0|2,0,0]=4 16919 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000749090_100000730704 [1,0,0,1,0,0|2,0,0]=4 16920 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000764851_100000760354 [1,0,0,1,0,0|2,0,0]=4 16921 B13R1.343 C=C(C)CCOCCC1CCCC1 7a_100000749090_100000730704 [1,0,0,1,0,0|2,0,0]=4 16922 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000730704_100000760354 [1,0,0,1,0,0|2,0,0]=4 16923 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000760354_100000730704 [1,0,0,1,0,0|2,0,0]=4 16924 B13R1.343 C=C(C)CNCCCC1CCCC1 2230a_100000736752_100000748629 [1,0,0,1,0,0|2,0,0]=4 16925 B13R1.343 C=C(C)CNCCCC1CCCC1 34a_100000736752_100000748629 [1,0,0,1,0,0|2,0,0]=4 16926 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100000210245_100011713738 [1,0,0,1,0,0|2,0,0]=4 16927 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100011215328_100000748629 [1,0,0,1,0,0|2,0,0]=4 16928 B13R1.343 C=C(C)COCCCC1CCCC1 7a_100011215328_100000748629 [1,0,0,1,0,0|2,0,0]=4 16929 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100000748629_100011713738 [1,0,0,1,0,0|2,0,0]=4 16930 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100011713738_100000211660 [1,0,0,1,0,0|2,0,0]=4 16931 B13R1.343 CC(=O)CCCCNC1CCCC1 34a_100000211070_100009817362 [1,0,0,1,0,0|1,0,0]=3 16932 B13R1.343 CC(=O)CCCCN[C@H]1CCOC1 34a_100015188467_100009817362 [1,0,0,1,0,0|2,0,0]=4 16933 B13R1.343 CC(=O)CCCCOC1CCCC1 34a_100000210269_100009817362 [1,0,0,1,0,0|1,0,0]=3 16934 B13R1.343 CC(=O)CCCCOC1CCCC1 7a_100000210269_100000735457 [1,0,0,1,0,0|1,0,0]=3 16935 B13R1.343 CC(=O)CCCCOC1CCCO1 34a_100000085407_100009817362 [1,0,0,1,0,0|2,0,0]=4 16936 B13R1.343 CC(=O)CCCCOC1CCSC1 7a_100011232664_100000735457 [1,0,0,1,0,0|2,0,0]=4 16937 B13R1.343 CC(=O)CCCCO[C@H]1CCOC1 34a_100000717292_100009817362 [1,0,0,1,0,0|2,0,0]=4 16938 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100000735457_100000179811 [1,0,0,1,0,0|1,0,0]=3 16939 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100011217020_100000735457 [1,0,0,1,0,0|1,0,0]=3 16940 B13R1.343 CC(=O)CCCCSC1CCOC1 62a_100000735457_100000690089 [1,0,0,1,0,0|2,0,0]=4 16941 B13R1.343 CC(=O)CCCNCC1CCCC1 34a_100000737975_100000685027 [1,0,0,1,0,0|1,0,0]=3 16942 B13R1.343 CC(=O)CCCNCC1CCOC1 34a_100000737293_100000685027 [1,0,0,1,0,0|2,0,0]=4 16943 B13R1.343 CC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100000685027 [1,0,0,1,0,0|2,0,0]=4 16944 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000742336_100000685027 [1,0,0,1,0,0|1,0,0]=3 16945 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000759063_100000740388 [1,0,0,1,0,0|1,0,0]=3 16946 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000742336_100011215641 [1,0,0,1,0,0|1,0,0]=3 16947 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000759063_100000740388 [1,0,0,1,0,0|1,0,0]=3 16948 B13R1.343 CC(=O)CCCOCC1CCCO1 34a_100000210270_100000685027 [1,0,0,1,0,0|2,0,0]=4 16949 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000210270_100011215641 [1,0,0,1,0,0|2,0,0]=4 16950 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000759063_100000203698 [1,0,0,1,0,0|2,0,0]=4 16951 B13R1.343 CC(=O)CCCOCC1CCNC1 34a_100000748654_100000685027 [1,0,0,1,0,0|2,0,0]=4 16952 B13R1.343 CC(=O)CCCOCC1CCOC1 34a_100000740260_100000685027 [1,0,0,1,0,0|2,0,0]=4 16953 B13R1.343 CC(=O)CCCOCC1CCOC1 34a_100000759063_100011261433 [1,0,0,1,0,0|2,0,0]=4 16954 B13R1.343 CC(=O)CCCOCC1CCOC1 7a_100000759063_100000702531 [1,0,0,1,0,0|2,0,0]=4 16955 B13R1.343 CC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100000685027 [1,0,0,1,0,0|2,0,0]=4 16956 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100000740388_100011215641 [1,0,0,1,0,0|1,0,0]=3 16957 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100011215641_100000740388 [1,0,0,1,0,0|1,0,0]=3 16958 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100000203698_100011215641 [1,0,0,1,0,0|2,0,0]=4 16959 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100011215641_100000203698 [1,0,0,1,0,0|2,0,0]=4 16960 B13R1.343 CC(=O)CCCSCC1CCOC1 62a_100000702531_100011215641 [1,0,0,1,0,0|2,0,0]=4 16961 B13R1.343 CC(=O)CCCSCC1CCOC1 62a_100011215641_100000702531 [1,0,0,1,0,0|2,0,0]=4 16962 B13R1.343 CC(=O)CCOCCC1CCCC1 34a_100000759926_100000760354 [1,0,0,1,0,0|1,0,0]=3 16963 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000749090_100000053229 [1,0,0,1,0,0|1,0,0]=3 16964 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000759926_100000760354 [1,0,0,1,0,0|1,0,0]=3 16965 B13R1.343 CC(=O)CCOCCN1CCCC1 7a_100000759926_100000004467 [1,0,0,1,0,0|2,0,0]=4 16966 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000053229_100000760354 [1,0,0,1,0,0|1,0,0]=3 16967 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000760354_100000053229 [1,0,0,1,0,0|1,0,0]=3 16968 B13R1.343 CC(=O)CCSCCN1CCCC1 62a_100000053229_100000004467 [1,0,0,1,0,0|2,0,0]=4 16969 B13R1.343 CC(=O)CCSCCN1CCCC1 62a_100000700749_100000053229 [1,0,0,1,0,0|2,0,0]=4 16970 B13R1.343 CC(=O)COCCCC1CCCC1 34a_100000211253_100011713738 [1,0,0,1,0,0|1,0,0]=3 16971 B13R1.343 CC(=O)COCCCN1CCCC1 34a_100000211253_100016991639 [1,0,0,1,0,0|2,0,0]=4 16972 B13R1.343 CC(=O)NCCCCN1CCCC1 1626a_100000740493_100015343762 [1,0,0,1,0,0|2,0,0]=4 16973 B13R1.343 CC(=O)NCCCCN1CCCC1 240690a_100000740493_100015343762 [1,0,0,1,0,0|2,0,0]=4 16974 B13R1.343 CC(=O)NCCCNC1CCCC1 270004a_100000736810_100000210133 [1,0,0,1,0,0|2,0,0]=4 16975 B13R1.343 CC(=O)NCCCNC1CCCC1 34a_100000736810_100000179811 [1,0,0,1,0,0|2,0,0]=4 16976 B13R1.343 CC(=O)NCCCOC1CCCC1 11a_100000747560_100015343762 [1,0,0,1,0,0|2,0,0]=4 16977 B13R1.343 CC(=O)NCCCOC1CCCC1 1626a_100000747560_100015343762 [1,0,0,1,0,0|2,0,0]=4 16978 B13R1.343 CC(=O)NCCCOC1CCCC1 240690a_100000747560_100015343762 [1,0,0,1,0,0|2,0,0]=4 16979 B13R1.343 CC(=O)NCCCOC1CCCC1 34a_100000752032_100000179811 [1,0,0,1,0,0|2,0,0]=4 16980 B13R1.343 CC(=O)NCCCOC1CCCC1 527a_100000747560_100103153847 [1,0,0,1,0,0|2,0,0]=4 16981 B13R1.343 CC(=O)NCCNCC1CCCC1 2230a_100000209853_100000740388 [1,0,0,1,0,0|2,0,0]=4 16982 B13R1.343 CC(=O)NCCNCC1CCCC1 2230a_100000737975_100000189650 [1,0,0,1,0,0|2,0,0]=4 16983 B13R1.343 CC(=O)NCCNCC1CCCC1 269862a_100000209853_100000746403 [1,0,0,1,0,0|2,0,0]=4 16984 B13R1.343 CC(=O)NCCOCC1CCCC1 34a_100000158858_100000740388 [1,0,0,1,0,0|2,0,0]=4 16985 B13R1.343 CC(=O)NCCOCC1CCCC1 7a_100000742336_100000189650 [1,0,0,1,0,0|2,0,0]=4 16986 B13R1.343 CC(=O)NCCSCC1CCCC1 62a_100000189650_100000740388 [1,0,0,1,0,0|2,0,0]=4 16987 B13R1.343 CC(=O)NCCSCC1CCCC1 62a_100000740388_100000189650 [1,0,0,1,0,0|2,0,0]=4 16988 B13R1.343 CC(=O)OCCCCN1CCCC1 269982a_100000188435_100000033659 [1,0,0,1,0,0|1,0,0]=3 16989 B13R1.343 CC(=O)OCCCCN1CCSC1 269982a_100011215254_100000033659 [1,0,0,1,0,0|2,0,0]=4 16990 B13R1.343 CC(=O)OCCCNC1CCCC1 34a_100000211070_100000042594 [1,0,0,1,0,0|1,0,0]=3 16991 B13R1.343 CC(=O)OCCCN[C@H]1CCOC1 34a_100015188467_100000042594 [1,0,0,1,0,0|2,0,0]=4 16992 B13R1.343 CC(=O)OCCCOC1CCCC1 34a_100000210269_100000042594 [1,0,0,1,0,0|1,0,0]=3 16993 B13R1.343 CC(=O)OCCCOC1CCCC1 7a_100000210269_100000042594 [1,0,0,1,0,0|1,0,0]=3 16994 B13R1.343 CC(=O)OCCCOC1CCCO1 34a_100000085407_100000042594 [1,0,0,1,0,0|2,0,0]=4 16995 B13R1.343 CC(=O)OCCCOC1CCSC1 7a_100011232664_100000042594 [1,0,0,1,0,0|2,0,0]=4 16996 B13R1.343 CC(=O)OCCCO[C@H]1CCOC1 34a_100000717292_100000042594 [1,0,0,1,0,0|2,0,0]=4 16997 B13R1.343 CC(=O)OCCCSC1CCCC1 62a_100000042594_100000179811 [1,0,0,1,0,0|1,0,0]=3 16998 B13R1.343 CC(=O)OCCCSC1CCCC1 62a_100011217020_100000042594 [1,0,0,1,0,0|1,0,0]=3 16999 B13R1.343 CC(=O)OCCCSC1CCOC1 62a_100000042594_100000690089 [1,0,0,1,0,0|2,0,0]=4 17000 B13R1.343 CC(=O)OCCNCC1CCCC1 34a_100000737975_100009814007 [1,0,0,1,0,0|1,0,0]=3 17001 B13R1.343 CC(=O)OCCNCC1CCOC1 34a_100000737293_100009814007 [1,0,0,1,0,0|2,0,0]=4 17002 B13R1.343 CC(=O)OCCNC[C@@H]1CCCO1 34a_100020590478_100009814007 [1,0,0,1,0,0|2,0,0]=4 17003 B13R1.343 CC(=O)OCCOCC1CCCC1 34a_100000742336_100009814007 [1,0,0,1,0,0|1,0,0]=3 17004 B13R1.343 CC(=O)OCCOCC1CCCC1 7a_100000742336_100009814007 [1,0,0,1,0,0|1,0,0]=3 17005 B13R1.343 CC(=O)OCCOCC1CCCO1 34a_100000210270_100009814007 [1,0,0,1,0,0|2,0,0]=4 17006 B13R1.343 CC(=O)OCCOCC1CCCO1 7a_100000210270_100009814007 [1,0,0,1,0,0|2,0,0]=4 17007 B13R1.343 CC(=O)OCCOCC1CCNC1 34a_100000748654_100009814007 [1,0,0,1,0,0|2,0,0]=4 17008 B13R1.343 CC(=O)OCCOCC1CCOC1 34a_100000740260_100009814007 [1,0,0,1,0,0|2,0,0]=4 17009 B13R1.343 CC(=O)OCCOCN1CCCC1 269982a_100000188435_100000076355 [1,0,0,1,0,0|2,0,0]=4 17010 B13R1.343 CC(=O)OCCOC[C@H]1CCCN1 34a_100000745186_100009814007 [1,0,0,1,0,0|2,0,0]=4 17011 B13R1.343 CC(=O)OCCSCC1CCCC1 62a_100000740388_100009814007 [1,0,0,1,0,0|1,0,0]=3 17012 B13R1.343 CC(=O)OCCSCC1CCCC1 62a_100009814007_100000740388 [1,0,0,1,0,0|1,0,0]=3 17013 B13R1.343 CC(=O)OCCSCC1CCCO1 62a_100000203698_100009814007 [1,0,0,1,0,0|2,0,0]=4 17014 B13R1.343 CC(=O)OCCSCC1CCCO1 62a_100009814007_100000203698 [1,0,0,1,0,0|2,0,0]=4 17015 B13R1.343 CC(=O)OCCSCC1CCOC1 62a_100000702531_100009814007 [1,0,0,1,0,0|2,0,0]=4 17016 B13R1.343 CC(=O)OCCSCC1CCOC1 62a_100009814007_100000702531 [1,0,0,1,0,0|2,0,0]=4 17017 B13R1.343 CC(=O)OCNCCC1CCCC1 34a_100000739158_100009813279 [1,0,0,1,0,0|1,0,0]=3 17018 B13R1.343 CC(=O)OCOCCC1CCCC1 34a_100000749090_100009813279 [1,0,0,1,0,0|1,0,0]=3 17019 B13R1.343 CC(=O)OCOCCC1CCNC1 34a_100016987287_100009813279 [1,0,0,1,0,0|2,0,0]=4 17020 B13R1.343 CC(=O)OCOCCC1CCOC1 34a_100011879284_100009813279 [1,0,0,1,0,0|2,0,0]=4 17021 B13R1.343 CC(=O)OCSCCC1CCCC1 62a_100000076356_100000760354 [1,0,0,1,0,0|1,0,0]=3 17022 B13R1.343 CC(=O)OCSCCC1CCCC1 62a_100000760354_100000076356 [1,0,0,1,0,0|1,0,0]=3 17023 B13R1.343 CC(=O)OCSCCN1CCCC1 62a_100000076356_100000004467 [1,0,0,1,0,0|2,0,0]=4 17024 B13R1.343 CC(=O)OCSCCN1CCCC1 62a_100000700749_100000076356 [1,0,0,1,0,0|2,0,0]=4 17025 B13R1.343 CC(=O)SCCCCN1CCCC1 2230a_100000188435_200010402107 [1,0,0,1,0,0|1,1,0]=4 17026 B13R1.343 CC(=O)SCCCCN1CCCC1 269982a_100000188435_200010402107 [1,0,0,1,0,0|1,1,0]=4 17027 B13R1.343 CC(=O)SCCCNC1CCCC1 2230a_100000211070_100000038929 [1,0,0,1,0,0|1,1,0]=4 17028 B13R1.343 CC(=O)SCCCNC1CCCC1 34a_100000211070_100000038929 [1,0,0,1,0,0|1,1,0]=4 17029 B13R1.343 CC(=O)SCCCOC1CCCC1 34a_100000210269_100000038929 [1,0,0,1,0,0|1,1,0]=4 17030 B13R1.343 CC(=O)SCCCOC1CCCC1 7a_100000210269_100000038929 [1,0,0,1,0,0|1,1,0]=4 17031 B13R1.343 CC(=O)SCCCSC1CCCC1 62a_100000038929_100000179811 [1,0,0,1,0,0|1,1,0]=4 17032 B13R1.343 CC(=O)SCCCSC1CCCC1 62a_100011217020_100000038929 [1,0,0,1,0,0|1,1,0]=4 17033 B13R1.343 CC(=O)SCCNCC1CCCC1 269862a_100020647217_100000746403 [1,0,0,1,0,0|1,1,0]=4 17034 B13R1.343 CC(=S)OCCCNC1CCCC1 2230a_100000211070_200135323944 [1,0,0,1,0,0|1,1,0]=4 17035 B13R1.343 CC(=S)OCCCNC1CCCC1 34a_100000211070_200135323944 [1,0,0,1,0,0|1,1,0]=4 17036 B13R1.343 CC(=S)OCCCOC1CCCC1 34a_100000210269_200135323944 [1,0,0,1,0,0|1,1,0]=4 17037 B13R1.343 CC(=S)OCCCOC1CCCC1 7a_100000210269_200135323944 [1,0,0,1,0,0|1,1,0]=4 17038 B13R1.343 CC(=S)OCCCSC1CCCC1 62a_100011217020_200135323944 [1,0,0,1,0,0|1,1,0]=4 17039 B13R1.343 CC(=S)OCCCSC1CCCC1 62a_200135323944_100000179811 [1,0,0,1,0,0|1,1,0]=4 17040 B13R1.343 CS(=O)CCCNCC1CCCC1 2230a_200000753449_100000740388 [1,0,0,1,0,0|2,0,0]=4 17041 B13R1.343 NC(=O)CCCCCN1CCCC1 2230a_100000188435_100009817443 [1,0,0,1,0,0|2,0,0]=4 17042 B13R1.343 NC(=O)CCCCCN1CCCC1 269982a_100000188435_100009817443 [1,0,0,1,0,0|2,0,0]=4 17043 B13R1.343 NC(=O)CCCCNC1CCCC1 270004a_100000696515_100000210133 [1,0,0,1,0,0|2,0,0]=4 17044 B13R1.343 NC(=O)CCCCNC1CCCC1 34a_100000696515_100000179811 [1,0,0,1,0,0|2,0,0]=4 17045 B13R1.343 NC(=O)CCCCOC1CCCC1 34a_100012022536_100000179811 [1,0,0,1,0,0|2,0,0]=4 17046 B13R1.343 NC(=O)CCCCOC1CCCC1 7a_100012022536_100000179811 [1,0,0,1,0,0|2,0,0]=4 17047 B13R1.343 NC(=O)CCCNCC1CCCC1 269862a_100000739312_100000746403 [1,0,0,1,0,0|2,0,0]=4 17048 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000737975_100102525003 [1,0,0,1,0,0|2,0,0]=4 17049 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000739312_100000740388 [1,0,0,1,0,0|2,0,0]=4 17050 B13R1.343 NC(=O)CCCOCC1CCCC1 34a_100000742336_100102525003 [1,0,0,1,0,0|2,0,0]=4 17051 B13R1.343 NC(=O)CCCOCC1CCCC1 7a_100000742336_100102525003 [1,0,0,1,0,0|2,0,0]=4 17052 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100000740388_100102525003 [1,0,0,1,0,0|2,0,0]=4 17053 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100102525003_100000740388 [1,0,0,1,0,0|2,0,0]=4 17054 B13R1.343 NC(=O)CCNCCC1CCCC1 2230a_100000739158_100000744528 [1,0,0,1,0,0|2,0,0]=4 17055 B13R1.343 NC(=O)CCNCCC1CCCC1 34a_100000739158_100000731001 [1,0,0,1,0,0|2,0,0]=4 17056 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000749090_100000731001 [1,0,0,1,0,0|2,0,0]=4 17057 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000757172_100000760354 [1,0,0,1,0,0|2,0,0]=4 17058 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000749090_100000744528 [1,0,0,1,0,0|2,0,0]=4 17059 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000757172_100000760354 [1,0,0,1,0,0|2,0,0]=4 17060 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000744528_100000760354 [1,0,0,1,0,0|2,0,0]=4 17061 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000760354_100000744528 [1,0,0,1,0,0|2,0,0]=4 17062 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000711301_100011713738 [1,0,0,1,0,0|2,0,0]=4 17063 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747473 [1,0,0,1,0,0|2,0,0]=4 17064 B13R1.343 NC(=O)CNCCCC1CCCC1 34a_100000736752_100000187820 [1,0,0,1,0,0|2,0,0]=4 17065 B13R1.343 NC(=O)COCCCC1CCCC1 34a_100011215328_100000187820 [1,0,0,1,0,0|2,0,0]=4 17066 B13R1.343 NC(=O)COCCCC1CCCC1 7a_100011215328_100000187820 [1,0,0,1,0,0|2,0,0]=4 17067 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100000747473_100011713738 [1,0,0,1,0,0|2,0,0]=4 17068 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100011713738_100000747473 [1,0,0,1,0,0|2,0,0]=4 17069 B13R1.343 NC(=O)OCCNCC1CCCC1 34a_100000737975_200011214921 [1,0,0,1,0,0|2,0,0]=4 17070 B13R1.343 NC(=O)OCCOCC1CCCC1 34a_100000742336_200011214921 [1,0,0,1,0,0|2,0,0]=4 17071 B13R1.343 NC(=O)OCCOCC1CCCC1 7a_100000742336_200011214921 [1,0,0,1,0,0|2,0,0]=4 17072 B13R1.343 NC(=O)OCCOCC1CCCC1 7a_100000766696_100000740388 [1,0,0,1,0,0|2,0,0]=4 17073 B13R1.343 NC(=O)OCCSCC1CCCC1 62a_100000740388_200011214921 [1,0,0,1,0,0|2,0,0]=4 17074 B13R1.343 NC(=O)OCCSCC1CCCC1 62a_200011214921_100000740388 [1,0,0,1,0,0|2,0,0]=4 17075 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [1,0,0,1,0,0|2,0,0]=4 17076 B13R1.343 O=C([O-])CNCCCC1CCCC1 34a_100000736752_100020667443 [1,0,0,1,0,0|2,0,0]=4 17077 B13R1.343 O=C([O-])COCCCC1CCCC1 34a_100011215328_100020667443 [1,0,0,1,0,0|2,0,0]=4 17078 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100011713738_100020667443 [1,0,0,1,0,0|2,0,0]=4 17079 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100020667443_100011713738 [1,0,0,1,0,0|2,0,0]=4 17080 B13R1.362 C=C1CC(C1)CNCCCCCC 2230a_100102567296_100000210314 [1,0,0,1,0,0|2,0,0]=4 17081 B13R1.362 C=C1CC(C1)CNCCCCCC 34a_100102567296_100000210314 [1,0,0,1,0,0|2,0,0]=4 17082 B13R1.362 C=C1CC(C1)COCCCCCC 34a_100011011225_100000210314 [1,0,0,1,0,0|2,0,0]=4 17083 B13R1.362 C=C1CC(C1)NCCCCCCC 2230a_100132301982_100000210681 [1,0,0,1,0,0|2,0,0]=4 17084 B13R1.362 CCCCCCCSC1CC(=O)C1 62a_100009894365_100000210316 [1,0,0,1,0,0|1,0,0]=3 17085 B13R1.362 CCCCCCNCC1CC(=O)C1 2230a_100000210581_100009874392 [1,0,0,1,0,0|1,0,0]=3 17086 B13R1.362 CCCCCCOCC1CC(=O)C1 34a_100000101936_100000210314 [1,0,0,1,0,0|1,0,0]=3 17087 B13R1.362 CCCCCCOCC1CC(=O)C1 7a_100000210259_100009874392 [1,0,0,1,0,0|1,0,0]=3 17088 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100000210314_100009874392 [1,0,0,1,0,0|1,0,0]=3 17089 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100009874392_100000210757 [1,0,0,1,0,0|1,0,0]=3 17090 B13R1.362 CCCCOCCSC1CC(=O)C1 62a_100009894365_100000743108 [1,0,0,1,0,0|2,0,0]=4 17091 B13R1.362 CCCCOCOCC1CC(=O)C1 34a_100000101936_100011995733 [1,0,0,1,0,0|2,0,0]=4 17092 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100009874392_100011995733 [1,0,0,1,0,0|2,0,0]=4 17093 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100011995733_100009874392 [1,0,0,1,0,0|2,0,0]=4 17094 B13R1.362 CCCOCCNCC1CC(=O)C1 2230a_100161115042_100009874392 [1,0,0,1,0,0|2,0,0]=4 17095 B13R1.362 CCCOCCOCC1CC(=O)C1 34a_100000101936_100011215938 [1,0,0,1,0,0|2,0,0]=4 17096 B13R1.362 CCCOCCOCC1CC(=O)C1 7a_100000752267_100009874392 [1,0,0,1,0,0|2,0,0]=4 17097 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100009874392_100011215938 [1,0,0,1,0,0|2,0,0]=4 17098 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100011215938_100009874392 [1,0,0,1,0,0|2,0,0]=4 17099 B13R1.362 CCCSCCNCC1CC(=O)C1 2230a_100020603323_100009874392 [1,0,0,1,0,0|2,0,0]=4 17100 B13R1.362 CCCSCCOCC1CC(=O)C1 7a_200000230433_100009874392 [1,0,0,1,0,0|2,0,0]=4 17101 B13R1.362 CCOCCCNCC1CC(=O)C1 2230a_100000210961_100009874392 [1,0,0,1,0,0|2,0,0]=4 17102 B13R1.362 CCOCCCOCC1CC(=O)C1 34a_100000101936_100012232248 [1,0,0,1,0,0|2,0,0]=4 17103 B13R1.362 CCOCCCOCC1CC(=O)C1 7a_100000757476_100009874392 [1,0,0,1,0,0|2,0,0]=4 17104 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100009874392_100012232248 [1,0,0,1,0,0|2,0,0]=4 17105 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100012232248_100009874392 [1,0,0,1,0,0|2,0,0]=4 17106 B13R1.362 CCSCCCOCC1CC(=O)C1 7a_100011216438_100009874392 [1,0,0,1,0,0|2,0,0]=4 17107 B13R1.362 COCCCCOCC1CC(=O)C1 34a_100000101936_100000755781 [1,0,0,1,0,0|2,0,0]=4 17108 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100000730899_100009874392 [1,0,0,1,0,0|2,0,0]=4 17109 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100009874392_100000730899 [1,0,0,1,0,0|2,0,0]=4 17110 B13R1.362 CSCCCCOCC1CC(=O)C1 7a_100011217163_100009874392 [1,0,0,1,0,0|2,0,0]=4 17111 B13R1.362 O=C1CC(C1)CNCCCCCO 2230a_100000762737_100009874392 [1,0,0,1,0,0|2,0,0]=4 17112 B13R1.362 O=C1CC(C1)COCCCCCBr 7a_100000746331_100009874392 [1,0,0,1,0,0|2,0,0]=4 17113 B13R1.362 O=C1CC(C1)COCCCCCCl 7a_100000746330_100009874392 [1,0,0,1,0,0|2,0,0]=4 17114 B13R1.362 O=C1CC(C1)COCCCCCF 34a_100000101936_100000729378 [1,0,0,1,0,0|2,0,0]=4 17115 B13R1.362 O=C1CC(C1)COCCCCCI 7a_200012148887_100009874392 [1,0,0,1,0,0|2,0,0]=4 17116 B13R1.362 O=C1CC(C1)COCCCCCO 34a_100000101936_100000746330 [1,0,0,1,0,0|2,0,0]=4 17117 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100000729378_100009874392 [1,0,0,1,0,0|2,0,0]=4 17118 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100009874392_100000729378 [1,0,0,1,0,0|2,0,0]=4 17119 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100000746330_100009874392 [1,0,0,1,0,0|2,0,0]=4 17120 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100009874392_100000746330 [1,0,0,1,0,0|2,0,0]=4 17121 B13R1.362 O=C1CC(C1)SCCCCCCF 62a_100009894365_100015922095 [1,0,0,1,0,0|2,0,0]=4 17122 B13R1.362 O=C1CC(C1)SCCCCCCO 62a_100009894365_100000766143 [1,0,0,1,0,0|2,0,0]=4 17123 B13R1.380 C=C(C)CN1CCCCC1CCC 2230a_100000701414_100000748629 [1,0,0,1,0,0|2,0,0]=4 17124 B13R1.380 C=C(C)CN1CCCCC1CCC 269982a_100000701414_100000748629 [1,0,0,1,0,0|2,0,0]=4 17125 B13R1.380 C=C(C)CN1CCCCC1CCC 34a_100000701414_100000748629 [1,0,0,1,0,0|2,0,0]=4 17126 B13R1.380 CCCC1CCCCC1OC(C)C 34a_100011217265_100000210206 [1,0,0,1,0,0|1,0,1]=4 17127 B13R1.380 CCCC1CCCCC1OC(C)C 7a_100011217265_100000210206 [1,0,0,1,0,0|1,0,1]=4 17128 B13R1.380 CCCC1CCCCN1CC(=O)N 2230a_100000701414_100000747473 [1,0,0,1,0,0|2,0,0]=4 17129 B13R1.380 CCCC1CCCCN1CC(=O)N 269982a_100000701414_100000187820 [1,0,0,1,0,0|2,0,0]=4 17130 B13R1.380 CCCC1CCCCN1CC(=O)N 34a_100000701414_100000187820 [1,0,0,1,0,0|2,0,0]=4 17131 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 269982a_100000701414_100020667443 [1,0,0,1,0,0|2,0,0]=4 17132 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 34a_100000701414_100020667443 [1,0,0,1,0,0|2,0,0]=4 17133 B13R1.380 CCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210303 [1,0,0,1,0,0|2,0,0]=4 17134 B13R1.380 CCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210303 [1,0,0,1,0,0|2,0,0]=4 17135 B13R1.380 CCCN1CCCCC1CC(=O)N 34a_100015184752_100000210303 [1,0,0,1,0,0|2,0,0]=4 17136 B13R1.392 COC[C@@H]1CCCN1CCC(=O)C 269982a_100020646714_100000053229 [1,0,0,1,0,0|2,0,0]=4 17137 B13R1.392 COC[C@@H]1CCCN1COC(=O)C 269982a_100020646714_100000076356 [1,0,0,1,0,0|2,0,0]=4 17138 B13R1.392 COC[C@@H]1CCCN1COC(=O)C 34a_100020646714_100009813279 [1,0,0,1,0,0|2,0,0]=4 17139 B13R1.572 CC(=O)N1CCCCC1CCCO 240690a_100011934581_100015343762 [1,0,0,1,0,0|2,0,0]=4 17140 B13R1.572 CCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210211 [1,0,0,1,0,0|2,0,0]=4 17141 B13R1.572 CCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210211 [1,0,0,1,0,0|2,0,0]=4 17142 B13R1.572 CCCCN1CCCCC1C(=O)N 34a_100000181395_100000210210 [1,0,0,1,0,0|2,0,0]=4 17143 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [1,0,0,1,0,0|2,0,0]=4 17144 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [1,0,0,1,0,0|2,0,0]=4 17145 B13R1.572 COCCC1CCCCN1C(=O)C 11a_100015186528_100015343762 [1,0,0,1,0,0|2,0,0]=4 17146 B13R1.572 COCCC1CCCCN1C(=O)C 1626a_100015186528_100015343762 [1,0,0,1,0,0|2,0,0]=4 17147 B13R1.572 COCCC1CCCCN1C(=O)C 240690a_100015186528_100015343762 [1,0,0,1,0,0|2,0,0]=4 17148 B13R1.572 COCCC1CCCCN1C(=O)C 527a_100015186528_100103153847 [1,0,0,1,0,0|2,0,0]=4 17149 B13R1.586 CC(=O)CCCCNCC1CCC1 34a_100000738700_100009817362 [1,0,0,1,0,0|1,0,0]=3 17150 B13R1.586 CC(=O)CCCCNCC1COC1 34a_100015281925_100009817362 [1,0,0,1,0,0|2,0,0]=4 17151 B13R1.586 CC(=O)CCCCNC[C@@H]1CCO1 34a_100020831831_100009817362 [1,0,0,1,0,0|2,0,0]=4 17152 B13R1.586 CC(=O)CCCCOCC1CCC1 34a_100000760304_100009817362 [1,0,0,1,0,0|1,0,0]=3 17153 B13R1.586 CC(=O)CCCCOCC1CCO1 34a_100000039022_100009817362 [1,0,0,1,0,0|2,0,0]=4 17154 B13R1.586 CC(=O)CCCCOCC1CNC1 34a_100016987283_100009817362 [1,0,0,1,0,0|2,0,0]=4 17155 B13R1.586 CC(=O)CCCCOCC1COC1 34a_100000060846_100009817362 [1,0,0,1,0,0|2,0,0]=4 17156 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000735457_100000763275 [1,0,0,1,0,0|1,0,0]=3 17157 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000763275_100000735457 [1,0,0,1,0,0|1,0,0]=3 17158 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000103362_100000735457 [1,0,0,1,0,0|2,0,0]=4 17159 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000735457_100000103362 [1,0,0,1,0,0|2,0,0]=4 17160 B13R1.586 CC(=O)CCCCSCC1COC1 62a_100000735457_100010264016 [1,0,0,1,0,0|2,0,0]=4 17161 B13R1.586 CC(=O)CCCCSCC1COC1 62a_100010264016_100000735457 [1,0,0,1,0,0|2,0,0]=4 17162 B13R1.586 CC(=O)CCCOCCC1COC1 34a_100009855314_100000685027 [1,0,0,1,0,0|2,0,0]=4 17163 B13R1.586 CC(=O)NCCCCNC1CCC1 270004a_200011368371_100000241760 [1,0,0,1,0,0|2,0,0]=4 17164 B13R1.586 CC(=O)NCCCCNC1CCC1 34a_200011368371_100000749161 [1,0,0,1,0,0|2,0,0]=4 17165 B13R1.586 CC(=O)NCCCNCC1CCC1 269862a_100000736810_100000753134 [1,0,0,1,0,0|2,0,0]=4 17166 B13R1.586 CC(=O)NCCCNCC1CCC1 34a_100000736810_100000763275 [1,0,0,1,0,0|2,0,0]=4 17167 B13R1.586 CC(=O)NCCCOCC1CCC1 34a_100000752032_100000763275 [1,0,0,1,0,0|2,0,0]=4 17168 B13R1.586 CC(=O)OCCCCCN1CCC1 269982a_100000754969_100000033007 [1,0,0,1,0,0|1,0,0]=3 17169 B13R1.586 CC(=O)OCCCCNC1CCC1 34a_100000749019_100000033659 [1,0,0,1,0,0|1,0,0]=3 17170 B13R1.586 CC(=O)OCCCCOC1CCC1 34a_100000073216_100000749161 [1,0,0,1,0,0|1,0,0]=3 17171 B13R1.586 CC(=O)OCCCCOC1CCC1 34a_100000748187_100000033659 [1,0,0,1,0,0|1,0,0]=3 17172 B13R1.586 CC(=O)OCCCCOC1COC1 34a_100000073216_100009818527 [1,0,0,1,0,0|2,0,0]=4 17173 B13R1.586 CC(=O)OCCCCOC1COC1 7a_100000073216_100009818527 [1,0,0,1,0,0|2,0,0]=4 17174 B13R1.586 CC(=O)OCCCCOC1CSC1 7a_100000072292_100000033659 [1,0,0,1,0,0|2,0,0]=4 17175 B13R1.586 CC(=O)OCCCCSC1CCC1 62a_100000033659_100000749161 [1,0,0,1,0,0|1,0,0]=3 17176 B13R1.586 CC(=O)OCCCCSC1COC1 62a_100000033659_100009818527 [1,0,0,1,0,0|2,0,0]=4 17177 B13R1.586 CC(=O)OCCCNCC1CCC1 34a_100000738700_100000042594 [1,0,0,1,0,0|1,0,0]=3 17178 B13R1.586 CC(=O)OCCCNCC1COC1 34a_100015281925_100000042594 [1,0,0,1,0,0|2,0,0]=4 17179 B13R1.586 CC(=O)OCCCNC[C@@H]1CCO1 34a_100020831831_100000042594 [1,0,0,1,0,0|2,0,0]=4 17180 B13R1.586 CC(=O)OCCCOCC1CCC1 34a_100000760304_100000042594 [1,0,0,1,0,0|1,0,0]=3 17181 B13R1.586 CC(=O)OCCCOCC1CCO1 34a_100000039022_100000042594 [1,0,0,1,0,0|2,0,0]=4 17182 B13R1.586 CC(=O)OCCCOCC1CNC1 34a_100016987283_100000042594 [1,0,0,1,0,0|2,0,0]=4 17183 B13R1.586 CC(=O)OCCCOCC1COC1 34a_100000060846_100000042594 [1,0,0,1,0,0|2,0,0]=4 17184 B13R1.586 CC(=O)OCCCSCC1CCC1 62a_100000042594_100000763275 [1,0,0,1,0,0|1,0,0]=3 17185 B13R1.586 CC(=O)OCCCSCC1CCC1 62a_100000763275_100000042594 [1,0,0,1,0,0|1,0,0]=3 17186 B13R1.586 CC(=O)OCCCSCC1CCO1 62a_100000042594_100000103362 [1,0,0,1,0,0|2,0,0]=4 17187 B13R1.586 CC(=O)OCCCSCC1CCO1 62a_100000103362_100000042594 [1,0,0,1,0,0|2,0,0]=4 17188 B13R1.586 CC(=O)OCCCSCC1COC1 62a_100000042594_100010264016 [1,0,0,1,0,0|2,0,0]=4 17189 B13R1.586 CC(=O)OCCCSCC1COC1 62a_100010264016_100000042594 [1,0,0,1,0,0|2,0,0]=4 17190 B13R1.586 CC(=O)OCCOCCC1COC1 34a_100009855314_100009814007 [1,0,0,1,0,0|2,0,0]=4 17191 B13R1.586 CC(=O)OCCOCCN1CCC1 269982a_100000754969_200000083610 [1,0,0,1,0,0|2,0,0]=4 17192 B13R1.586 CC(=O)OCCOCNC1CCC1 34a_100000749019_100000076355 [1,0,0,1,0,0|2,0,0]=4 17193 B13R1.586 CC(=O)OCCOCOC1CCC1 34a_100000748187_100000076355 [1,0,0,1,0,0|2,0,0]=4 17194 B13R1.586 CC(=O)OCCOCSC1CCC1 62a_100000076355_100000749161 [1,0,0,1,0,0|2,0,0]=4 17195 B13R1.586 CC(=O)SCCCCNC1CCC1 2230a_100000749019_200010402107 [1,0,0,1,0,0|1,1,0]=4 17196 B13R1.586 CC(=O)SCCCCNC1CCC1 34a_100000749019_200010402107 [1,0,0,1,0,0|1,1,0]=4 17197 B13R1.586 CC(=O)SCCCCOC1CCC1 34a_100000748187_200010402107 [1,0,0,1,0,0|1,1,0]=4 17198 B13R1.586 CC(=O)SCCCCSC1CCC1 62a_200010402107_100000749161 [1,0,0,1,0,0|1,1,0]=4 17199 B13R1.586 CC(=O)SCCCNCC1CCC1 2230a_100000738700_100000038929 [1,0,0,1,0,0|1,1,0]=4 17200 B13R1.586 CC(=O)SCCCNCC1CCC1 34a_100000738700_100000038929 [1,0,0,1,0,0|1,1,0]=4 17201 B13R1.586 CC(=O)SCCCOCC1CCC1 34a_100000760304_100000038929 [1,0,0,1,0,0|1,1,0]=4 17202 B13R1.586 CC(=O)SCCCSCC1CCC1 62a_100000038929_100000763275 [1,0,0,1,0,0|1,1,0]=4 17203 B13R1.586 CC(=O)SCCCSCC1CCC1 62a_100000763275_100000038929 [1,0,0,1,0,0|1,1,0]=4 17204 B13R1.586 CC(=S)OCCCNCC1CCC1 2230a_100000738700_200135323944 [1,0,0,1,0,0|1,1,0]=4 17205 B13R1.586 CC(=S)OCCCNCC1CCC1 34a_100000738700_200135323944 [1,0,0,1,0,0|1,1,0]=4 17206 B13R1.586 CC(=S)OCCCOCC1CCC1 34a_100000760304_200135323944 [1,0,0,1,0,0|1,1,0]=4 17207 B13R1.586 CC(=S)OCCCSCC1CCC1 62a_100000763275_200135323944 [1,0,0,1,0,0|1,1,0]=4 17208 B13R1.586 CC(=S)OCCCSCC1CCC1 62a_200135323944_100000763275 [1,0,0,1,0,0|1,1,0]=4 17209 B13R1.586 NC(=O)CCCCCNC1CCC1 2230a_100000749019_100009817443 [1,0,0,1,0,0|2,0,0]=4 17210 B13R1.586 NC(=O)CCCCCNC1CCC1 34a_100000749019_100009817443 [1,0,0,1,0,0|2,0,0]=4 17211 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000123541_100000749161 [1,0,0,1,0,0|2,0,0]=4 17212 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000748187_100009817443 [1,0,0,1,0,0|2,0,0]=4 17213 B13R1.586 NC(=O)CCCCCSC1CCC1 62a_100009817443_100000749161 [1,0,0,1,0,0|2,0,0]=4 17214 B13R1.586 NC(=O)CCCCNCC1CCC1 269862a_100000696515_100000753134 [1,0,0,1,0,0|2,0,0]=4 17215 B13R1.586 NC(=O)CCCCNCC1CCC1 34a_100000696515_100000763275 [1,0,0,1,0,0|2,0,0]=4 17216 B13R1.586 NC(=O)CCCCOCC1CCC1 34a_100012022536_100000763275 [1,0,0,1,0,0|2,0,0]=4 17217 B13R1.586 NC(=O)CCCCOCC1CCC1 7a_100012022536_100000763275 [1,0,0,1,0,0|2,0,0]=4 17218 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [1,0,0,1,0,0|2,0,0]=4 17219 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [1,0,0,1,0,0|2,0,0]=4 17220 B13R1.670 CCCCCC1CCCC1N(C)C 270004a_100102631434_200000198059 [1,0,0,1,0,0|2,0,0]=4 17221 B13R1.670 CCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210326 [1,0,0,1,0,0|2,0,0]=4 17222 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [1,0,0,1,0,0|2,0,0]=4 17223 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210303 [1,0,0,1,0,0|2,0,0]=4 17224 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210303 [1,0,0,1,0,0|2,0,0]=4 17225 B13R1.1022 C=C(C)CCN1CCCCCCC1 2230a_100000211400_100000730704 [1,0,0,1,0,0|2,0,0]=4 17226 B13R1.1022 C=C(C)CCN1CCCCCCC1 269982a_100000211400_100000730704 [1,0,0,1,0,0|2,0,0]=4 17227 B13R1.1022 C=C(C)CCN1CCCCCCC1 34a_100000211400_100000730704 [1,0,0,1,0,0|2,0,0]=4 17228 B13R1.1022 C=C(C)CNC1CCCCCCC1 2230a_100000211152_100000748629 [1,0,0,1,0,0|2,0,0]=4 17229 B13R1.1022 C=C(C)CNC1CCCCCCC1 34a_100000211152_100000748629 [1,0,0,1,0,0|2,0,0]=4 17230 B13R1.1022 C=C(C)COC1CCCCCCC1 34a_100000210054_100000748629 [1,0,0,1,0,0|2,0,0]=4 17231 B13R1.1022 C=C(C)COC1CCCCCCC1 7a_100000210054_100000748629 [1,0,0,1,0,0|2,0,0]=4 17232 B13R1.1022 CC(=O)CCN1CCCCCCC1 1458a_200015187237_200000210301 [1,0,0,1,0,0|1,0,0]=3 17233 B13R1.1022 CC(=O)CCN1CCCCCCC1 269982a_100000211400_100000053229 [1,0,0,1,0,0|1,0,0]=3 17234 B13R1.1022 CC(=O)OCN1CCCCCCC1 269982a_100000211400_100000076356 [1,0,0,1,0,0|1,0,0]=3 17235 B13R1.1022 CC(=O)OCN1CCCCCCC1 34a_100000211400_100009813279 [1,0,0,1,0,0|1,0,0]=3 17236 B13R1.1022 CC(C)OCC1CCCCCCC1 34a_100011216312_100000210206 [1,0,0,1,0,0|1,0,1]=4 17237 B13R1.1022 CC(C)OCC1CCCCCCC1 7a_100011216312_100000210206 [1,0,0,1,0,0|1,0,1]=4 17238 B13R1.1022 NC(=O)CCN1CCCCCCC1 2230a_100000211400_100000744528 [1,0,0,1,0,0|2,0,0]=4 17239 B13R1.1022 NC(=O)CCN1CCCCCCC1 269982a_100000211400_100000744528 [1,0,0,1,0,0|2,0,0]=4 17240 B13R1.1022 NC(=O)CCN1CCCCCCC1 34a_100000211400_100000731001 [1,0,0,1,0,0|2,0,0]=4 17241 B13R1.1022 NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747473 [1,0,0,1,0,0|2,0,0]=4 17242 B13R1.1022 NC(=O)CNC1CCCCCCC1 34a_100000211152_100000187820 [1,0,0,1,0,0|2,0,0]=4 17243 B13R1.1022 NC(=O)COC1CCCCCCC1 34a_100000210054_100000187820 [1,0,0,1,0,0|2,0,0]=4 17244 B13R1.1022 NC(=O)COC1CCCCCCC1 7a_100000210054_100000187820 [1,0,0,1,0,0|2,0,0]=4 17245 B13R1.1022 O=C([O-])CNC1CCCCCCC1 34a_100000211152_100020667443 [1,0,0,1,0,0|2,0,0]=4 17246 B13R1.1022 O=C([O-])COC1CCCCCCC1 34a_100000210054_100020667443 [1,0,0,1,0,0|2,0,0]=4 17247 B13R1.1022 [13CH3]C(=O)CCN1CCCCCCC1 1458a_200015187237_200025704644 [1,0,0,1,0,0|1,0,0]=3 17248 B13R1.1052 CC(=O)CCCCNCCC1CC1 34a_100000764129_100009817362 [1,0,0,1,0,0|1,0,0]=3 17249 B13R1.1052 CC(=O)CCCCOCCC1CC1 34a_100000754188_100009817362 [1,0,0,1,0,0|1,0,0]=3 17250 B13R1.1052 CC(=O)CCCCOCCC1CC1 7a_100000754188_100000735457 [1,0,0,1,0,0|1,0,0]=3 17251 B13R1.1052 CC(=O)CCCCOCC[C@@H]1CO1 34a_100009820653_100009817362 [1,0,0,1,0,0|2,0,0]=4 17252 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000735457_100000764125 [1,0,0,1,0,0|1,0,0]=3 17253 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000764125_100000735457 [1,0,0,1,0,0|1,0,0]=3 17254 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000732470_100000735457 [1,0,0,1,0,0|2,0,0]=4 17255 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000735457_100000732470 [1,0,0,1,0,0|2,0,0]=4 17256 B13R1.1052 CC(=O)CCCOCCCC1CO1 34a_100000759063_100000733510 [1,0,0,1,0,0|2,0,0]=4 17257 B13R1.1052 CC(=O)CCCOCCCC1CO1 7a_100000759063_100000733510 [1,0,0,1,0,0|2,0,0]=4 17258 B13R1.1052 CC(=O)CCCOCCNC1CC1 34a_100000738766_100000685027 [1,0,0,1,0,0|2,0,0]=4 17259 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100000733510_100011215641 [1,0,0,1,0,0|2,0,0]=4 17260 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100011215641_100000733510 [1,0,0,1,0,0|2,0,0]=4 17261 B13R1.1052 CC(=O)NCCCCCNC1CC1 34a_200012022750_100000211595 [1,0,0,1,0,0|2,0,0]=4 17262 B13R1.1052 CC(=O)NCCCCNCC1CC1 2230a_200011368371_100000742324 [1,0,0,1,0,0|2,0,0]=4 17263 B13R1.1052 CC(=O)NCCCCNCC1CC1 269862a_200011368371_100000741477 [1,0,0,1,0,0|2,0,0]=4 17264 B13R1.1052 CC(=O)NCCCCNCC1CC1 34a_200011368371_100000742324 [1,0,0,1,0,0|2,0,0]=4 17265 B13R1.1052 CC(=O)NCCCNCCC1CC1 34a_100000736810_100000694398 [1,0,0,1,0,0|2,0,0]=4 17266 B13R1.1052 CC(=O)NCCCOCCC1CC1 34a_100000752032_100000694398 [1,0,0,1,0,0|2,0,0]=4 17267 B13R1.1052 CC(=O)OCCCCCNC1CC1 34a_100000212008_100000033007 [1,0,0,1,0,0|1,0,0]=3 17268 B13R1.1052 CC(=O)OCCCCCSC1CC1 62a_100000033007_100000211595 [1,0,0,1,0,0|1,0,0]=3 17269 B13R1.1052 CC(=O)OCCCCNCC1CC1 34a_100000735609_100000033659 [1,0,0,1,0,0|1,0,0]=3 17270 B13R1.1052 CC(=O)OCCCCOCC1CC1 34a_100000073216_100000742324 [1,0,0,1,0,0|1,0,0]=3 17271 B13R1.1052 CC(=O)OCCCCOCC1CC1 34a_100000211283_100000033659 [1,0,0,1,0,0|1,0,0]=3 17272 B13R1.1052 CC(=O)OCCCCOCC1CC1 7a_100000073216_100000742324 [1,0,0,1,0,0|1,0,0]=3 17273 B13R1.1052 CC(=O)OCCCCOCC1CO1 34a_100000073216_102125554688 [1,0,0,1,0,0|2,0,0]=4 17274 B13R1.1052 CC(=O)OCCCCOCC1CO1 7a_100000073216_102125554688 [1,0,0,1,0,0|2,0,0]=4 17275 B13R1.1052 CC(=O)OCCCCOCC1CS1 7a_100000073216_100000031435 [1,0,0,1,0,0|2,0,0]=4 17276 B13R1.1052 CC(=O)OCCCCOC[C@@H]1CO1 34a_100000757423_100000033659 [1,0,0,1,0,0|2,0,0]=4 17277 B13R1.1052 CC(=O)OCCCCOC[C@@H]1CO1 7a_100000073216_100000745022 [1,0,0,1,0,0|2,0,0]=4 17278 B13R1.1052 CC(=O)OCCCCSCC1CC1 62a_100000033659_100000742324 [1,0,0,1,0,0|1,0,0]=3 17279 B13R1.1052 CC(=O)OCCCCSCC1CC1 62a_100000756562_100000033659 [1,0,0,1,0,0|1,0,0]=3 17280 B13R1.1052 CC(=O)OCCCCSCC1CO1 62a_100000033659_102125554688 [1,0,0,1,0,0|2,0,0]=4 17281 B13R1.1052 CC(=O)OCCCCSCC1CO1 62a_102125554688_100000033659 [1,0,0,1,0,0|2,0,0]=4 17282 B13R1.1052 CC(=O)OCCCCSCC1CS1 62a_100000031435_100000033659 [1,0,0,1,0,0|2,0,0]=4 17283 B13R1.1052 CC(=O)OCCCCSCC1CS1 62a_100000033659_100000031435 [1,0,0,1,0,0|2,0,0]=4 17284 B13R1.1052 CC(=O)OCCCCSC[C@@H]1CO1 62a_100000033659_100000745022 [1,0,0,1,0,0|2,0,0]=4 17285 B13R1.1052 CC(=O)OCCCCSC[C@@H]1CO1 62a_100000745022_100000033659 [1,0,0,1,0,0|2,0,0]=4 17286 B13R1.1052 CC(=O)OCCCNCCC1CC1 34a_100000764129_100000042594 [1,0,0,1,0,0|1,0,0]=3 17287 B13R1.1052 CC(=O)OCCCOCCC1CC1 34a_100000754188_100000042594 [1,0,0,1,0,0|1,0,0]=3 17288 B13R1.1052 CC(=O)OCCCOCCC1CC1 7a_100000754188_100000042594 [1,0,0,1,0,0|1,0,0]=3 17289 B13R1.1052 CC(=O)OCCCOCC[C@@H]1CO1 34a_100009820653_100000042594 [1,0,0,1,0,0|2,0,0]=4 17290 B13R1.1052 CC(=O)OCCCSCCC1CC1 62a_100000042594_100000764125 [1,0,0,1,0,0|1,0,0]=3 17291 B13R1.1052 CC(=O)OCCCSCCC1CC1 62a_100000764125_100000042594 [1,0,0,1,0,0|1,0,0]=3 17292 B13R1.1052 CC(=O)OCCCSCCC1CO1 62a_100000042594_100000732470 [1,0,0,1,0,0|2,0,0]=4 17293 B13R1.1052 CC(=O)OCCCSCCC1CO1 62a_100000732470_100000042594 [1,0,0,1,0,0|2,0,0]=4 17294 B13R1.1052 CC(=O)OCCOCCNC1CC1 34a_100000212008_200000083610 [1,0,0,1,0,0|2,0,0]=4 17295 B13R1.1052 CC(=O)OCCOCCNC1CC1 34a_100000738766_100009814007 [1,0,0,1,0,0|2,0,0]=4 17296 B13R1.1052 CC(=O)OCCOCCSC1CC1 62a_200000083610_100000211595 [1,0,0,1,0,0|2,0,0]=4 17297 B13R1.1052 CC(=O)OCCOCNCC1CC1 34a_100000735609_100000076355 [1,0,0,1,0,0|2,0,0]=4 17298 B13R1.1052 CC(=O)OCCOCOCC1CC1 34a_100000211283_100000076355 [1,0,0,1,0,0|2,0,0]=4 17299 B13R1.1052 CC(=O)OCCOCSCC1CC1 62a_100000076355_100000742324 [1,0,0,1,0,0|2,0,0]=4 17300 B13R1.1052 CC(=O)OCCOCSCC1CC1 62a_100000756562_100000076355 [1,0,0,1,0,0|2,0,0]=4 17301 B13R1.1052 CC(=O)OCCSCCCC1CO1 62a_100000733510_100009814007 [1,0,0,1,0,0|2,0,0]=4 17302 B13R1.1052 CC(=O)OCCSCCCC1CO1 62a_100009814007_100000733510 [1,0,0,1,0,0|2,0,0]=4 17303 B13R1.1052 CC(=O)SCCCCNCC1CC1 2230a_100000735609_200010402107 [1,0,0,1,0,0|1,1,0]=4 17304 B13R1.1052 CC(=O)SCCCCNCC1CC1 34a_100000735609_200010402107 [1,0,0,1,0,0|1,1,0]=4 17305 B13R1.1052 CC(=O)SCCCCOCC1CC1 34a_100000211283_200010402107 [1,0,0,1,0,0|1,1,0]=4 17306 B13R1.1052 CC(=O)SCCCCSCC1CC1 62a_100000756562_200010402107 [1,0,0,1,0,0|1,1,0]=4 17307 B13R1.1052 CC(=O)SCCCCSCC1CC1 62a_200010402107_100000742324 [1,0,0,1,0,0|1,1,0]=4 17308 B13R1.1052 CC(=O)SCCCNCCC1CC1 34a_100000764129_100000038929 [1,0,0,1,0,0|1,1,0]=4 17309 B13R1.1052 CC(=O)SCCCOCCC1CC1 34a_100000754188_100000038929 [1,0,0,1,0,0|1,1,0]=4 17310 B13R1.1052 CC(=O)SCCCOCCC1CC1 7a_100000754188_100000038929 [1,0,0,1,0,0|1,1,0]=4 17311 B13R1.1052 CC(=O)SCCCSCCC1CC1 62a_100000038929_100000764125 [1,0,0,1,0,0|1,1,0]=4 17312 B13R1.1052 CC(=O)SCCCSCCC1CC1 62a_100000764125_100000038929 [1,0,0,1,0,0|1,1,0]=4 17313 B13R1.1052 CC(=S)OCCCNCCC1CC1 34a_100000764129_200135323944 [1,0,0,1,0,0|1,1,0]=4 17314 B13R1.1052 CC(=S)OCCCOCCC1CC1 34a_100000754188_200135323944 [1,0,0,1,0,0|1,1,0]=4 17315 B13R1.1052 CC(=S)OCCCOCCC1CC1 7a_100000754188_200135323944 [1,0,0,1,0,0|1,1,0]=4 17316 B13R1.1052 CC(=S)OCCCSCCC1CC1 62a_100000764125_200135323944 [1,0,0,1,0,0|1,1,0]=4 17317 B13R1.1052 CC(=S)OCCCSCCC1CC1 62a_200135323944_100000764125 [1,0,0,1,0,0|1,1,0]=4 17318 B13R1.1052 NC(=O)CCCCCNCC1CC1 2230a_100000735609_100009817443 [1,0,0,1,0,0|2,0,0]=4 17319 B13R1.1052 NC(=O)CCCCCNCC1CC1 34a_100000735609_100009817443 [1,0,0,1,0,0|2,0,0]=4 17320 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000123541_100000742324 [1,0,0,1,0,0|2,0,0]=4 17321 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000211283_100009817443 [1,0,0,1,0,0|2,0,0]=4 17322 B13R1.1052 NC(=O)CCCCCOCC1CC1 7a_100000123541_100000742324 [1,0,0,1,0,0|2,0,0]=4 17323 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100000756562_100009817443 [1,0,0,1,0,0|2,0,0]=4 17324 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100009817443_100000742324 [1,0,0,1,0,0|2,0,0]=4 17325 B13R1.1052 NC(=O)CCCCNCCC1CC1 34a_100000696515_100000694398 [1,0,0,1,0,0|2,0,0]=4 17326 B13R1.1052 NC(=O)CCCCOCCC1CC1 34a_100012022536_100000694398 [1,0,0,1,0,0|2,0,0]=4 17327 B13R1.1052 NC(=O)CCCCOCCC1CC1 7a_100012022536_100000764125 [1,0,0,1,0,0|2,0,0]=4 17328 B13R1.1052 O=C([O-])CCCCCOCC1CC1 7a_100102619762_100000742324 [1,0,0,1,0,0|2,0,0]=4 17329 B13R1.1107 C=C(C)CN1CCCCCCCC1 2230a_100000039187_100000748629 [1,0,0,1,0,0|2,0,0]=4 17330 B13R1.1107 C=C(C)CN1CCCCCCCC1 269982a_100000039187_100000748629 [1,0,0,1,0,0|2,0,0]=4 17331 B13R1.1107 C=C(C)CN1CCCCCCCC1 34a_100000039187_100000748629 [1,0,0,1,0,0|2,0,0]=4 17332 B13R1.1107 NC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747473 [1,0,0,1,0,0|2,0,0]=4 17333 B13R1.1107 NC(=O)CN1CCCCCCCC1 269982a_100000039187_100000187820 [1,0,0,1,0,0|2,0,0]=4 17334 B13R1.1107 NC(=O)CN1CCCCCCCC1 34a_100000039187_100000187820 [1,0,0,1,0,0|2,0,0]=4 17335 B13R1.1107 O=C([O-])CN1CCCCCCCC1 269982a_100000039187_100020667443 [1,0,0,1,0,0|2,0,0]=4 17336 B13R1.1107 O=C([O-])CN1CCCCCCCC1 34a_100000039187_100020667443 [1,0,0,1,0,0|2,0,0]=4 17337 B13R1.1148 CCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210326 [1,0,0,1,0,0|2,0,0]=4 17338 B13R1.1988 C=C(C)CCNC1CCCCCC1 2230a_100000210984_100000730704 [1,0,0,1,0,0|2,0,0]=4 17339 B13R1.1988 C=C(C)CCNC1CCCCCC1 34a_100000210984_100000730704 [1,0,0,1,0,0|2,0,0]=4 17340 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000210887_100000730704 [1,0,0,1,0,0|2,0,0]=4 17341 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000764851_100011217769 [1,0,0,1,0,0|2,0,0]=4 17342 B13R1.1988 C=C(C)CCOC1CCCCCC1 7a_100000210887_100000730704 [1,0,0,1,0,0|2,0,0]=4 17343 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100000730704_100011217769 [1,0,0,1,0,0|2,0,0]=4 17344 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100011217769_100000730704 [1,0,0,1,0,0|2,0,0]=4 17345 B13R1.1988 C=C(C)CNCC1CCCCCC1 2230a_100015204231_100000748629 [1,0,0,1,0,0|2,0,0]=4 17346 B13R1.1988 C=C(C)CNCC1CCCCCC1 34a_100015204231_100000748629 [1,0,0,1,0,0|2,0,0]=4 17347 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000210245_200000696569 [1,0,0,1,0,0|2,0,0]=4 17348 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000699130_100000748629 [1,0,0,1,0,0|2,0,0]=4 17349 B13R1.1988 C=C(C)COCC1CCCCCC1 7a_100000699130_100000748629 [1,0,0,1,0,0|2,0,0]=4 17350 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_100000748629_200000696569 [1,0,0,1,0,0|2,0,0]=4 17351 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_200000696569_100000211660 [1,0,0,1,0,0|2,0,0]=4 17352 B13R1.1988 CC(=O)CCCN1CCCCCC1 269982a_100000185865_100011215641 [1,0,0,1,0,0|1,0,0]=3 17353 B13R1.1988 CC(=O)CCCN1CCCCCC1 34a_100000185865_100000685027 [1,0,0,1,0,0|1,0,0]=3 17354 B13R1.1988 CC(=O)CCCN1CCCOCC1 269982a_100000685342_100011215641 [1,0,0,1,0,0|2,0,0]=4 17355 B13R1.1988 CC(=O)CCCN1CCCOCC1 34a_100000685342_100000685027 [1,0,0,1,0,0|2,0,0]=4 17356 B13R1.1988 CC(=O)CCOC1CCCCCC1 34a_100000759926_100011217769 [1,0,0,1,0,0|1,0,0]=3 17357 B13R1.1988 CC(=O)CCOC1CCCCCC1 7a_100000210887_100000053229 [1,0,0,1,0,0|1,0,0]=3 17358 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100000053229_100011217769 [1,0,0,1,0,0|1,0,0]=3 17359 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100011217769_100000053229 [1,0,0,1,0,0|1,0,0]=3 17360 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [1,0,0,1,0,0|1,0,0]=3 17361 B13R1.1988 CC(=O)NCCC1CCCCCC1 11a_100011532351_100015343762 [1,0,0,1,0,0|1,0,0]=3 17362 B13R1.1988 CC(=O)NCCC1CCCCCC1 1626a_100011532351_100015343762 [1,0,0,1,0,0|1,0,0]=3 17363 B13R1.1988 CC(=O)NCCC1CCCCCC1 240690a_100011532351_100015343762 [1,0,0,1,0,0|1,0,0]=3 17364 B13R1.1988 CC(=O)NCCC1CCCCCC1 527a_100011532351_100103153847 [1,0,0,1,0,0|1,0,0]=3 17365 B13R1.1988 CC(=O)NCCN1CCCCCC1 11a_100000738142_100015343762 [1,0,0,1,0,0|2,0,0]=4 17366 B13R1.1988 CC(=O)NCCN1CCCCCC1 2230a_100000185865_100000189650 [1,0,0,1,0,0|2,0,0]=4 17367 B13R1.1988 CC(=O)NCCN1CCCCCC1 240690a_100000738142_100015343762 [1,0,0,1,0,0|2,0,0]=4 17368 B13R1.1988 CC(=O)NCCN1CCCCCC1 269982a_100000185865_100000189650 [1,0,0,1,0,0|2,0,0]=4 17369 B13R1.1988 CC(=O)NCCN1CCCCCC1 527a_100000738142_100103153847 [1,0,0,1,0,0|2,0,0]=4 17370 B13R1.1988 CC(=O)OCCN1CCCCCC1 269982a_100000185865_100009814007 [1,0,0,1,0,0|1,0,0]=3 17371 B13R1.1988 CC(=O)OCCN1CCCCCC1 34a_100000185865_100009814007 [1,0,0,1,0,0|1,0,0]=3 17372 B13R1.1988 CC(=O)OCCN1CCCOCC1 269982a_100000685342_100009814007 [1,0,0,1,0,0|2,0,0]=4 17373 B13R1.1988 CC(=O)OCCN1CCCOCC1 34a_100000685342_100009814007 [1,0,0,1,0,0|2,0,0]=4 17374 B13R1.1988 CC(=O)OCNC1CCCCCC1 34a_100000210984_100009813279 [1,0,0,1,0,0|1,0,0]=3 17375 B13R1.1988 CC(=O)OCOC1CCCCCC1 34a_100000210887_100009813279 [1,0,0,1,0,0|1,0,0]=3 17376 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100000076356_100011217769 [1,0,0,1,0,0|1,0,0]=3 17377 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100011217769_100000076356 [1,0,0,1,0,0|1,0,0]=3 17378 B13R1.1988 NC(=O)CCCN1CCCCCC1 269982a_100000185865_100102525003 [1,0,0,1,0,0|2,0,0]=4 17379 B13R1.1988 NC(=O)CCCN1CCCCCC1 34a_100000185865_100102525003 [1,0,0,1,0,0|2,0,0]=4 17380 B13R1.1988 NC(=O)CCNC1CCCCCC1 2230a_100000210984_100000744528 [1,0,0,1,0,0|2,0,0]=4 17381 B13R1.1988 NC(=O)CCNC1CCCCCC1 34a_100000210984_100000731001 [1,0,0,1,0,0|2,0,0]=4 17382 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000210887_100000731001 [1,0,0,1,0,0|2,0,0]=4 17383 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000757172_100011217769 [1,0,0,1,0,0|2,0,0]=4 17384 B13R1.1988 NC(=O)CCOC1CCCCCC1 7a_100000210887_100000744528 [1,0,0,1,0,0|2,0,0]=4 17385 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100000744528_100011217769 [1,0,0,1,0,0|2,0,0]=4 17386 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100011217769_100000744528 [1,0,0,1,0,0|2,0,0]=4 17387 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100000711301_200000696569 [1,0,0,1,0,0|2,0,0]=4 17388 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747473 [1,0,0,1,0,0|2,0,0]=4 17389 B13R1.1988 NC(=O)CNCC1CCCCCC1 34a_100015204231_100000187820 [1,0,0,1,0,0|2,0,0]=4 17390 B13R1.1988 NC(=O)COCC1CCCCCC1 34a_100000699130_100000187820 [1,0,0,1,0,0|2,0,0]=4 17391 B13R1.1988 NC(=O)COCC1CCCCCC1 7a_100000699130_100000187820 [1,0,0,1,0,0|2,0,0]=4 17392 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_100000747473_200000696569 [1,0,0,1,0,0|2,0,0]=4 17393 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_200000696569_100000747473 [1,0,0,1,0,0|2,0,0]=4 17394 B13R1.1988 NC(=O)OCCN1CCCCCC1 269982a_100000185865_200011214921 [1,0,0,1,0,0|2,0,0]=4 17395 B13R1.1988 NC(=O)OCCN1CCCCCC1 34a_100000185865_200011214921 [1,0,0,1,0,0|2,0,0]=4 17396 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [1,0,0,1,0,0|2,0,0]=4 17397 B13R1.1988 O=C([O-])CNCC1CCCCCC1 34a_100015204231_100020667443 [1,0,0,1,0,0|2,0,0]=4 17398 B13R1.1988 O=C([O-])COCC1CCCCCC1 34a_100000699130_100020667443 [1,0,0,1,0,0|2,0,0]=4 17399 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_100020667443_200000696569 [1,0,0,1,0,0|2,0,0]=4 17400 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_200000696569_100020667443 [1,0,0,1,0,0|2,0,0]=4 17401 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [1,0,0,1,0,0|2,0,0]=4 17402 B15R1.137 CCCCCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210614 [0,1,0,1,0,0|1,0,1]=4 17403 B15R1.137 CCCCCCCC(C)N1CNC(=O)C1 2230a_200000708111_200011218727 [0,1,0,1,0,0|2,0,0]=4 17404 B15R1.503 CC(=O)CCCC(=O)CCC1CCCC1 1458a_100000211120_100011215641 [0,1,0,1,0,0|1,0,1]=4 17405 B15R1.503 CC(=O)NCCC(=O)CCC1CCCC1 1458a_100000183196_100000760354 [0,1,0,1,0,0|1,0,1]=4 17406 B15R1.503 CC(=O)NCCC(=O)CCC1CCCC1 1458a_100000211120_100000189650 [0,1,0,1,0,0|1,0,1]=4 17407 B15R1.503 CC(=O)OCCC(=O)CCC1CCCC1 1458a_100000211120_100009814007 [0,1,0,1,0,0|0,0,1]=3 17408 B15R1.503 CC(=O)OCCC(=O)CCC1CCCO1 1458a_100011247709_100009814007 [0,1,0,1,0,0|1,0,1]=4 17409 B15R1.503 CC(=O)OCCC(=O)CCN1CCCC1 1458a_100000738983_100009814007 [0,1,0,1,0,0|1,0,1]=4 17410 B15R1.503 CC(=O)OCCC(=O)COC1CCCC1 1458a_100000741352_100009814007 [0,1,0,1,0,0|1,0,1]=4 17411 B15R1.503 CC(=O)OCCN(C)CCN1CCCC1 269982a_100000225677_100009814007 [0,1,0,1,0,0|2,0,0]=4 17412 B15R1.503 CC(=O)SCCC(=O)CCC1CCCC1 1458a_100000048949_100000760354 [0,1,0,1,0,0|0,1,1]=4 17413 B15R1.503 NC(=O)OCCC(=O)CCC1CCCC1 1458a_100000211120_200011214921 [0,1,0,1,0,0|1,0,1]=4 17414 B15R1.568 CC(=O)OCCN1CCCC(C1)CCO 269982a_100000752241_100009814007 [0,1,0,1,0,0|2,0,0]=4 17415 B15R1.568 CC(=O)OCCN1CCCC(C1)CCO 34a_100000752241_100009814007 [0,1,0,1,0,0|2,0,0]=4 17416 B15R1.568 CCOC1CCCN(C1)CCOC(=O)C 269982a_100000745229_100009814007 [0,1,0,1,0,0|2,0,0]=4 17417 B15R1.568 CCOC1CCCN(C1)CCOC(=O)C 34a_100000745229_100009814007 [0,1,0,1,0,0|2,0,0]=4 17418 B15R1.568 COCC1CCCN(C1)CCOC(=O)C 269982a_100000755410_100009814007 [0,1,0,1,0,0|2,0,0]=4 17419 B15R1.568 COCC1CCCN(C1)CCOC(=O)C 34a_100000755410_100009814007 [0,1,0,1,0,0|2,0,0]=4 17420 B15R1.1081 CC(=O)CCCC(=O)CC1CCCCC1 1458a_100000211666_100011215641 [0,1,0,1,0,0|1,0,1]=4 17421 B15R1.1081 CC(=O)CCCN(C)CC1CCCCC1 269982a_100000736448_100011215641 [0,1,0,1,0,0|2,0,0]=4 17422 B15R1.1081 CC(=O)CCCN(C)CC1CCCCC1 34a_100000736448_100000685027 [0,1,0,1,0,0|2,0,0]=4 17423 B15R1.1081 CC(=O)NCCC(=O)CC1CCCCC1 1458a_100000183196_100000211423 [0,1,0,1,0,0|1,0,1]=4 17424 B15R1.1081 CC(=O)NCCC(=O)CC1CCCCC1 1458a_100000211666_100000189650 [0,1,0,1,0,0|1,0,1]=4 17425 B15R1.1081 CC(=O)NCCN(C)CC1CCCCC1 2230a_100000736448_100000189650 [0,1,0,1,0,0|2,0,0]=4 17426 B15R1.1081 CC(=O)NCCN(C)CC1CCCCC1 269982a_100000736448_100000189650 [0,1,0,1,0,0|2,0,0]=4 17427 B15R1.1081 CC(=O)OCCC(=O)CC1CCCCC1 1458a_100000211666_100009814007 [0,1,0,1,0,0|0,0,1]=3 17428 B15R1.1081 CC(=O)OCCC(=O)CC1CCCCO1 1458a_100000238585_100009814007 [0,1,0,1,0,0|1,0,1]=4 17429 B15R1.1081 CC(=O)OCCC(=O)CC1CCCOC1 1458a_100000741523_100009814007 [0,1,0,1,0,0|1,0,1]=4 17430 B15R1.1081 CC(=O)OCCC(=O)CC1CCOCC1 1458a_100000757261_100009814007 [0,1,0,1,0,0|1,0,1]=4 17431 B15R1.1081 CC(=O)OCCC(=O)CN1CCCCC1 1458a_100000740322_100009814007 [0,1,0,1,0,0|1,0,1]=4 17432 B15R1.1081 CC(=O)OCCN(C)CC1CCCCC1 269982a_100000736448_100009814007 [0,1,0,1,0,0|1,0,0]=3 17433 B15R1.1081 CC(=O)OCCN(C)CC1CCCCC1 34a_100000736448_100009814007 [0,1,0,1,0,0|1,0,0]=3 17434 B15R1.1081 CC(=O)OCCN(C)CC1CCCCO1 269982a_100000225654_100009814007 [0,1,0,1,0,0|2,0,0]=4 17435 B15R1.1081 CC(=O)OCCN(C)CC1CCCCO1 34a_100000225654_100009814007 [0,1,0,1,0,0|2,0,0]=4 17436 B15R1.1081 CC(=O)OCCN(C)CC1CCOCC1 269982a_100025706683_100009814007 [0,1,0,1,0,0|2,0,0]=4 17437 B15R1.1081 CC(=O)OCCN(C)CC1CCOCC1 34a_100025706683_100009814007 [0,1,0,1,0,0|2,0,0]=4 17438 B15R1.1081 CC(=O)OCCN(C)CC1CCSCC1 269982a_100011935259_100009814007 [0,1,0,1,0,0|2,0,0]=4 17439 B15R1.1081 CC(=O)OCCN(C)CC1CCSCC1 34a_100011935259_100009814007 [0,1,0,1,0,0|2,0,0]=4 17440 B15R1.1081 CC(=O)OCSC(C)CN1CCCCC1 62a_100000076356_100009831500 [0,1,0,1,0,0|2,0,0]=4 17441 B15R1.1081 CC(=O)OCSC(C)CN1CCCCC1 62a_100009831500_100000076356 [0,1,0,1,0,0|2,0,0]=4 17442 B15R1.1081 CC(=O)SCCC(=O)CC1CCCCC1 1458a_100000048949_100000211423 [0,1,0,1,0,0|0,1,1]=4 17443 B15R1.1081 CN(CCOC(=O)N)CC1CCCCC1 269982a_100000736448_200011214921 [0,1,0,1,0,0|2,0,0]=4 17444 B15R1.1081 CN(CCOC(=O)N)CC1CCCCC1 34a_100000736448_200011214921 [0,1,0,1,0,0|2,0,0]=4 17445 B15R1.1081 NC(=O)OCCC(=O)CC1CCCCC1 1458a_100000211666_200011214921 [0,1,0,1,0,0|1,0,1]=4 17446 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210681 [0,1,0,1,0,0|2,0,0]=4 17447 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210681 [0,1,0,1,0,0|2,0,0]=4 17448 B15R1.1955 CC(=O)OC1CN(C1)CCCCCCF 269982a_100016994906_100015922095 [0,1,0,1,0,0|2,0,0]=4 17449 B15R1.1955 CC(=O)OC1CN(C1)CCCCCCO 269982a_100016994906_100000766143 [0,1,0,1,0,0|2,0,0]=4 17450 B15R1.1955 CCCCCCCN1CC(C1)OC(=O)C 269982a_100016994906_100000210681 [0,1,0,1,0,0|1,0,0]=3 17451 B15R1.1955 CCCCOCCN1CC(C1)OC(=O)C 269982a_100016994906_100000743108 [0,1,0,1,0,0|2,0,0]=4 17452 B15R1.4160 CCCCCCNC1CCN(C1)C(=O)C 2230a_100000705975_100000210314 [0,1,0,1,0,0|2,0,0]=4 17453 B15R1.4160 CCCCCCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000210314 [0,1,0,1,0,0|2,0,0]=4 17454 B15R1.4618 CCN1CCCC1C(=O)CCOC(=O)C 1458a_106256033941_100009814007 [0,1,0,1,0,0|1,0,1]=4 17455 B15R1.5908 CCCCCCCC(=O)CC1CC(=O)C1 1458a_100000211969_100009874392 [0,1,0,1,0,0|1,0,1]=4 17456 B15R1.5908 CCCCCCCC(C)SC1CC(=O)C1 62a_100009894365_200011218727 [0,1,0,1,0,0|2,0,0]=4 17457 B15R1.5908 CCCCCCCN(C)CC1CC(=O)C1 2230a_100000228206_100009874392 [0,1,0,1,0,0|2,0,0]=4 17458 B15R1.5908 CCCCCCCN(C)CC1CC(=O)C1 269982a_100000228206_100009874392 [0,1,0,1,0,0|2,0,0]=4 17459 B15R1.8019 CC(=O)CCCC(=O)C1CCCCC1C 1458a_100011215568_100011215641 [0,1,0,1,0,0|1,0,1]=4 17460 B15R1.8019 CC(=O)NCCC(=O)C1CCCCC1C 1458a_100011215568_100000189650 [0,1,0,1,0,0|1,0,1]=4 17461 B15R1.8019 CC(=O)OCCC(=O)C1CCCCC1C 1458a_100011215568_100009814007 [0,1,0,1,0,0|0,0,1]=3 17462 B15R1.8019 CC(=O)OCCC(=O)C1CCCCC1O 1458a_100011803323_100009814007 [0,1,0,1,0,0|1,0,1]=4 17463 B15R1.8019 CC(=O)OCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100009814007 [0,1,0,1,0,0|1,0,1]=4 17464 B15R1.8019 CC(=O)OCCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100009814007 [0,1,0,1,0,0|2,0,0]=4 17465 B15R1.8019 CC1CCCCC1C(=O)CCOC(=O)N 1458a_100011215568_200011214921 [0,1,0,1,0,0|1,0,1]=4 17466 B15R1.12194 CC(=CCCN1CCCCCCCC1)C 2230a_100000039187_100011217483 [0,1,0,1,0,0|2,0,0]=4 17467 B15R1.12194 CC(=CCCN1CCCCCCCC1)C 269982a_100000039187_100011217483 [0,1,0,1,0,0|2,0,0]=4 17468 B15R1.12194 CC(=CCCN1CCCCCCCC1)C 34a_100000039187_100011217483 [0,1,0,1,0,0|2,0,0]=4 17469 B15R1.12194 CC(=CCNC1CCCCCCCC1)C 270004a_100000718196_100000038600 [0,1,0,1,0,0|2,0,0]=4 17470 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100011215641 [0,1,0,1,0,0|1,0,0]=3 17471 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000685027 [0,1,0,1,0,0|1,0,0]=3 17472 B15R1.12194 CC(=O)NCCN1CCCCCCCC1 2230a_100000039187_100000189650 [0,1,0,1,0,0|1,0,0]=3 17473 B15R1.12194 CC(=O)NCCN1CCCCCCCC1 269982a_100000039187_100000189650 [0,1,0,1,0,0|1,0,0]=3 17474 B15R1.12194 CC(=O)OCCN1CCCCCCCC1 269982a_100000039187_100009814007 [0,1,0,1,0,0|0,0,0]=2 17475 B15R1.12194 CC(=O)OCCN1CCCCCCCC1 34a_100000039187_100009814007 [0,1,0,1,0,0|0,0,0]=2 17476 B15R1.12194 CC(C)OCCN1CCCCCCCC1 2230a_100000039187_100000211751 [0,1,0,1,0,0|1,0,1]=4 17477 B15R1.12194 CC(C)OCCN1CCCCCCCC1 269982a_100000039187_100000211751 [0,1,0,1,0,0|1,0,1]=4 17478 B15R1.12194 CC(C)OCCN1CCCCCCCC1 34a_100000039187_100000211751 [0,1,0,1,0,0|1,0,1]=4 17479 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100102525003 [0,1,0,1,0,0|2,0,0]=4 17480 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 34a_100000039187_100102525003 [0,1,0,1,0,0|2,0,0]=4 17481 B15R1.12194 NC(=O)NCCN1CCCCCCCC1 2230a_100000039187_200000034859 [0,1,0,1,0,0|2,0,0]=4 17482 B15R1.12194 NC(=O)NCCN1CCCCCCCC1 269982a_100000039187_200000034859 [0,1,0,1,0,0|2,0,0]=4 17483 B15R1.12194 NC(=O)OCCN1CCCCCCCC1 269982a_100000039187_200011214921 [0,1,0,1,0,0|1,0,0]=3 17484 B15R1.12194 NC(=O)OCCN1CCCCCCCC1 34a_100000039187_200011214921 [0,1,0,1,0,0|1,0,0]=3 17485 B15R1.31246 CC(=O)CCCC(=O)C1CCCCCC1 1458a_100000749507_100011215641 [0,1,0,1,0,0|1,0,1]=4 17486 B15R1.31246 CC(=O)CCCN(C)C1CCCCCC1 269982a_100015185097_100011215641 [0,1,0,1,0,0|2,0,0]=4 17487 B15R1.31246 CC(=O)CCCN(C)C1CCCCCC1 34a_100015185097_100000685027 [0,1,0,1,0,0|2,0,0]=4 17488 B15R1.31246 CC(=O)NCCC(=O)C1CCCCCC1 1458a_100000183196_100011217769 [0,1,0,1,0,0|1,0,1]=4 17489 B15R1.31246 CC(=O)NCCC(=O)C1CCCCCC1 1458a_100000749507_100000189650 [0,1,0,1,0,0|1,0,1]=4 17490 B15R1.31246 CC(=O)NCCN(C)C1CCCCCC1 2230a_100015185097_100000189650 [0,1,0,1,0,0|2,0,0]=4 17491 B15R1.31246 CC(=O)NCCN(C)C1CCCCCC1 269982a_100015185097_100000189650 [0,1,0,1,0,0|2,0,0]=4 17492 B15R1.31246 CC(=O)OCCC(=O)C1CCCCCC1 1458a_100000749507_100009814007 [0,1,0,1,0,0|0,0,1]=3 17493 B15R1.31246 CC(=O)OCCN(C)C1CCCCCC1 269982a_100015185097_100009814007 [0,1,0,1,0,0|1,0,0]=3 17494 B15R1.31246 CC(=O)OCCN(C)C1CCCCCC1 34a_100015185097_100009814007 [0,1,0,1,0,0|1,0,0]=3 17495 B15R1.31246 CC(=O)SCCC(=O)C1CCCCCC1 1458a_100000048949_100011217769 [0,1,0,1,0,0|0,1,1]=4 17496 B15R1.31246 CN(CCOC(=O)N)C1CCCCCC1 269982a_100015185097_200011214921 [0,1,0,1,0,0|2,0,0]=4 17497 B15R1.31246 CN(CCOC(=O)N)C1CCCCCC1 34a_100015185097_200011214921 [0,1,0,1,0,0|2,0,0]=4 17498 B15R1.31246 NC(=O)OCCC(=O)C1CCCCCC1 1458a_100000749507_200011214921 [0,1,0,1,0,0|1,0,1]=4 17499 B15R1.110 CC(=O)NCCCCNC1CCC(C1)C 270004a_200011368371_100011215218 [0,1,0,1,0,0|2,0,0]=4 17500 B15R1.110 CC(=O)NCCCCNC1CCC(C1)O 270004a_200011368371_100012614533 [0,1,0,1,0,0|2,0,0]=4 17501 B15R1.110 CC(=O)OCCCCCN1CCC(C1)O 2230a_100011215560_100009813381 [0,1,0,1,0,0|1,0,0]=3 17502 B15R1.110 CC(=O)OCCCCCN1CCC(C1)O 269982a_100011215560_100000033007 [0,1,0,1,0,0|1,0,0]=3 17503 B15R1.110 CC(=O)OCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100009813381 [0,1,0,1,0,0|1,0,0]=3 17504 B15R1.110 CC(=O)OCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000033007 [0,1,0,1,0,0|1,0,0]=3 17505 B15R1.110 CC(=O)OCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000033007 [0,1,0,1,0,0|1,0,0]=3 17506 B15R1.110 CC(=O)OCCCCCN1CC[C@H](C1)C 2230a_100016987628_100009813381 [0,1,0,1,0,0|1,0,0]=3 17507 B15R1.110 CC(=O)OCCCCCN1CC[C@H](C1)C 269982a_100016987628_100000033007 [0,1,0,1,0,0|1,0,0]=3 17508 B15R1.110 CC(=O)OCCCCCN1CC[C@H](C1)C 34a_100016987628_100000033007 [0,1,0,1,0,0|1,0,0]=3 17509 B15R1.110 CC(=O)OCCCCOC1CCC(=O)C1 34a_100012614533_100000033659 [0,1,0,1,0,0|1,0,1]=4 17510 B15R1.110 CC(=O)OCCCCOC1CCC(C1)C 34a_100000698185_100000033659 [0,1,0,1,0,0|1,0,0]=3 17511 B15R1.110 CC(=O)OCCCCOC1CCN(C1)C 7a_100000073216_200012183744 [0,1,0,1,0,0|2,0,0]=4 17512 B15R1.110 CC(=O)OCCCCSC1CCN(C1)C 62a_100000033659_200012183744 [0,1,0,1,0,0|2,0,0]=4 17513 B15R1.110 CC(=O)OCCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000042594 [0,1,0,1,0,0|2,0,0]=4 17514 B15R1.110 CC(=O)OCCCSCC1CCN(C1)C 62a_100000042594_200000690779 [0,1,0,1,0,0|2,0,0]=4 17515 B15R1.110 CC(=O)OCCCSCC1CCN(C1)C 62a_200000690779_100000042594 [0,1,0,1,0,0|2,0,0]=4 17516 B15R1.110 CC(=O)OCCOCCN1CCC(C1)O 2230a_100011215560_200000083610 [0,1,0,1,0,0|2,0,0]=4 17517 B15R1.110 CC(=O)OCCOCCN1CCC(C1)O 269982a_100011215560_200000083610 [0,1,0,1,0,0|2,0,0]=4 17518 B15R1.110 CC(=O)OCCOCCN1CC[C@@H](C1)F 2230a_100015203821_200000083610 [0,1,0,1,0,0|2,0,0]=4 17519 B15R1.110 CC(=O)OCCOCCN1CC[C@@H](C1)F 269982a_100015203821_200000083610 [0,1,0,1,0,0|2,0,0]=4 17520 B15R1.110 CC(=O)OCCOCCN1CC[C@@H](C1)F 34a_100015203821_200000083610 [0,1,0,1,0,0|2,0,0]=4 17521 B15R1.110 CC(=O)OCCOCCN1CC[C@H](C1)C 2230a_100016987628_200000083610 [0,1,0,1,0,0|2,0,0]=4 17522 B15R1.110 CC(=O)OCCOCCN1CC[C@H](C1)C 269982a_100016987628_200000083610 [0,1,0,1,0,0|2,0,0]=4 17523 B15R1.110 CC(=O)OCCOCCN1CC[C@H](C1)C 34a_100016987628_200000083610 [0,1,0,1,0,0|2,0,0]=4 17524 B15R1.110 CC(=O)OCCOCOC1CCC(C1)C 34a_100000698185_100000076355 [0,1,0,1,0,0|2,0,0]=4 17525 B15R1.110 CC(=O)SCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_200010402107 [0,1,0,1,0,0|1,1,0]=4 17526 B15R1.110 CC(=O)SCCCCOC1CCC(C1)C 34a_100000698185_200010402107 [0,1,0,1,0,0|1,1,0]=4 17527 B15R1.110 CC(C)CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210682 [0,1,0,1,0,0|2,0,0]=4 17528 B15R1.110 CC(C)CCCCCNC1COC(=O)O1 34a_100011290863_100000032252 [0,1,0,1,0,0|2,0,0]=4 17529 B15R1.110 CC(C)CCCCCOC1CCC(=O)C1 34a_100012614533_100000210682 [0,1,0,1,0,0|2,0,0]=4 17530 B15R1.110 CC(C)CCCCCOC1CNC(=O)C1 34a_100000690082_100000210682 [0,1,0,1,0,0|2,0,0]=4 17531 B15R1.110 CC(C)CCCCCOC1COC(=O)O1 34a_100011995859_100000032252 [0,1,0,1,0,0|2,0,0]=4 17532 B15R1.110 CC(C)CCCCCSC1COC(=O)O1 62a_100000210682_100000032252 [0,1,0,1,0,0|2,0,0]=4 17533 B15R1.110 CC(C)CCCCNCC1CNC(=O)C1 2230a_100016993742_100011216152 [0,1,0,1,0,0|2,0,0]=4 17534 B15R1.110 CC(C)CCCCNCC1CNC(=O)C1 34a_100016993742_100011216152 [0,1,0,1,0,0|2,0,0]=4 17535 B15R1.110 CC(C)CCCCOCC1CNC(=O)C1 34a_100016041077_100011216152 [0,1,0,1,0,0|2,0,0]=4 17536 B15R1.110 CC(C)CCCCOCC1COC(=O)O1 34a_100011214890_100000073702 [0,1,0,1,0,0|2,0,0]=4 17537 B15R1.110 CC(C)CCCCOC[C@H]1COC(=O)N1 34a_100011214890_100015307671 [0,1,0,1,0,0|2,0,0]=4 17538 B15R1.110 CC(C)CCCCOC[C@H]1COC(=O)N1 7a_100011214890_100015307671 [0,1,0,1,0,0|2,0,0]=4 17539 B15R1.110 CC(C)CCCCSCC1COC(=O)O1 62a_100000073702_100011216152 [0,1,0,1,0,0|2,0,0]=4 17540 B15R1.110 CC(C)CCCCSCC1COC(=O)O1 62a_100011216152_100000073702 [0,1,0,1,0,0|2,0,0]=4 17541 B15R1.110 CC(C)CCCCSC[C@H]1COC(=O)N1 62a_100011216152_100015307671 [0,1,0,1,0,0|2,0,0]=4 17542 B15R1.110 CC(C)CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100011216152 [0,1,0,1,0,0|2,0,0]=4 17543 B15R1.119 CC(=O)CCCCNC1CCCC(C1)C 34a_100011194320_100009817362 [0,1,0,1,0,0|2,0,0]=4 17544 B15R1.119 CC(=O)CCCCOC1CCCC(C1)C 34a_100000211399_100009817362 [0,1,0,1,0,0|2,0,0]=4 17545 B15R1.119 CC(=O)NCCCNC1CCCC(C1)C 270004a_100000736810_100000183594 [0,1,0,1,0,0|2,0,0]=4 17546 B15R1.119 CC(=O)NCCCNC1CCCC(C1)O 270004a_100000736810_100012613340 [0,1,0,1,0,0|2,0,0]=4 17547 B15R1.119 CC(=O)NCCNCC1CCCC(C1)O 2230a_100011254705_100000189650 [0,1,0,1,0,0|2,0,0]=4 17548 B15R1.119 CC(=O)OCCCCN1CCCC(C1)F 269982a_100000697950_100000033659 [0,1,0,1,0,0|1,0,0]=3 17549 B15R1.119 CC(=O)OCCCCN1CCCC(C1)F 34a_100000697950_100000033659 [0,1,0,1,0,0|1,0,0]=3 17550 B15R1.119 CC(=O)OCCCCN1CCCC(C1)O 269982a_100000211013_100000033659 [0,1,0,1,0,0|1,0,0]=3 17551 B15R1.119 CC(=O)OCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000033659 [0,1,0,1,0,0|1,0,0]=3 17552 B15R1.119 CC(=O)OCCCCN1CCC[C@@H](C1)C 34a_100000717927_100000033659 [0,1,0,1,0,0|1,0,0]=3 17553 B15R1.119 CC(=O)OCCCCN1CCOC(C1)C 269982a_100000729577_100000033659 [0,1,0,1,0,0|2,0,0]=4 17554 B15R1.119 CC(=O)OCCCCN1CCOC(C1)C 34a_100000729577_100000033659 [0,1,0,1,0,0|2,0,0]=4 17555 B15R1.119 CC(=O)OCCCCN1CCOC(C1)O 269982a_100000688207_100000033659 [0,1,0,1,0,0|2,0,0]=4 17556 B15R1.119 CC(=O)OCCCNC1CCCC(C1)C 34a_100011194320_100000042594 [0,1,0,1,0,0|1,0,0]=3 17557 B15R1.119 CC(=O)OCCCOC1C=C(CCC1)C 34a_100011218613_100000042594 [0,1,0,1,0,0|1,0,1]=4 17558 B15R1.119 CC(=O)OCCCOC1CCCC(=O)C1 34a_100012613340_100000042594 [0,1,0,1,0,0|1,0,1]=4 17559 B15R1.119 CC(=O)OCCCOC1CCCC(C1)C 34a_100000211399_100000042594 [0,1,0,1,0,0|1,0,0]=3 17560 B15R1.119 CC(=O)OCCCOC1CCOC(C1)C 34a_100011986385_100000042594 [0,1,0,1,0,0|2,0,0]=4 17561 B15R1.119 CC(=O)OCCCOC1CCOC(C1)C 7a_100011986385_100000042594 [0,1,0,1,0,0|2,0,0]=4 17562 B15R1.119 CC(=O)OCCOCC1CNCC(C1)C 34a_200012821172_100009814007 [0,1,0,1,0,0|2,0,0]=4 17563 B15R1.119 CC(=O)OCCOCN1CCCC(C1)F 269982a_100000697950_100000076355 [0,1,0,1,0,0|2,0,0]=4 17564 B15R1.119 CC(=O)OCCOCN1CCCC(C1)F 34a_100000697950_100000076355 [0,1,0,1,0,0|2,0,0]=4 17565 B15R1.119 CC(=O)OCCOCN1CCCC(C1)O 269982a_100000211013_100000076355 [0,1,0,1,0,0|2,0,0]=4 17566 B15R1.119 CC(=O)OCCOCN1CCC[C@@H](C1)C 269982a_100000717927_100000076355 [0,1,0,1,0,0|2,0,0]=4 17567 B15R1.119 CC(=O)OCCOCN1CCC[C@@H](C1)C 34a_100000717927_100000076355 [0,1,0,1,0,0|2,0,0]=4 17568 B15R1.119 CC(=O)OCCSCC1CCCN(C1)C 62a_100000752043_100009814007 [0,1,0,1,0,0|2,0,0]=4 17569 B15R1.119 CC(=O)OCCSCC1CCCN(C1)C 62a_100009814007_100000752043 [0,1,0,1,0,0|2,0,0]=4 17570 B15R1.119 CC(=O)OCSCCN1CCCC(C1)C 62a_100000076356_100000766211 [0,1,0,1,0,0|2,0,0]=4 17571 B15R1.119 CC(=O)SCCCCN1CCCC(C1)F 2230a_100000697950_200010402107 [0,1,0,1,0,0|1,1,0]=4 17572 B15R1.119 CC(=O)SCCCCN1CCCC(C1)F 269982a_100000697950_200010402107 [0,1,0,1,0,0|1,1,0]=4 17573 B15R1.119 CC(=O)SCCCCN1CCCC(C1)F 34a_100000697950_200010402107 [0,1,0,1,0,0|1,1,0]=4 17574 B15R1.119 CC(=O)SCCCCN1CCCC(C1)O 2230a_100000211013_200010402107 [0,1,0,1,0,0|1,1,0]=4 17575 B15R1.119 CC(=O)SCCCCN1CCCC(C1)O 269982a_100000211013_200010402107 [0,1,0,1,0,0|1,1,0]=4 17576 B15R1.119 CC(=O)SCCCCN1CCC[C@@H](C1)C 2230a_100000717927_200010402107 [0,1,0,1,0,0|1,1,0]=4 17577 B15R1.119 CC(=O)SCCCCN1CCC[C@@H](C1)C 269982a_100000717927_200010402107 [0,1,0,1,0,0|1,1,0]=4 17578 B15R1.119 CC(=O)SCCCCN1CCC[C@@H](C1)C 34a_100000717927_200010402107 [0,1,0,1,0,0|1,1,0]=4 17579 B15R1.119 CC(=O)SCCCNC1CCCC(C1)C 2230a_100011194320_100000038929 [0,1,0,1,0,0|1,1,0]=4 17580 B15R1.119 CC(=O)SCCCNC1CCCC(C1)C 34a_100011194320_100000038929 [0,1,0,1,0,0|1,1,0]=4 17581 B15R1.119 CC(=O)SCCCNC1CCCC(C1)O 2230a_100015190357_100000038929 [0,1,0,1,0,0|1,1,0]=4 17582 B15R1.119 CC(=O)SCCCOC1CCCC(C1)C 34a_100000211399_100000038929 [0,1,0,1,0,0|1,1,0]=4 17583 B15R1.119 CC(=S)OCCCNC1CCCC(C1)C 2230a_100011194320_200135323944 [0,1,0,1,0,0|1,1,0]=4 17584 B15R1.119 CC(=S)OCCCNC1CCCC(C1)C 34a_100011194320_200135323944 [0,1,0,1,0,0|1,1,0]=4 17585 B15R1.119 CC(=S)OCCCNC1CCCC(C1)O 2230a_100015190357_200135323944 [0,1,0,1,0,0|1,1,0]=4 17586 B15R1.119 CC(=S)OCCCOC1CCCC(C1)C 34a_100000211399_200135323944 [0,1,0,1,0,0|1,1,0]=4 17587 B15R1.119 CC(C)CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210682 [0,1,0,1,0,0|2,0,0]=4 17588 B15R1.119 CC(C)CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210682 [0,1,0,1,0,0|1,0,0]=3 17589 B15R1.119 CC(C)CCCCNC1CCNC(=O)C1 2230a_100016994916_100011216152 [0,1,0,1,0,0|2,0,0]=4 17590 B15R1.119 CC(C)CCCCNC1CCNC(=O)C1 34a_100016994916_100011216152 [0,1,0,1,0,0|2,0,0]=4 17591 B15R1.119 CC(C)CCCCOC1CCCC(=O)C1 34a_100012613340_100011216152 [0,1,0,1,0,0|2,0,0]=4 17592 B15R1.119 CC(C)CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011216152 [0,1,0,1,0,0|2,0,0]=4 17593 B15R1.119 CC(C)CCCOCC1CCNC(=O)C1 34a_100009886756_100011214892 [0,1,0,1,0,0|2,0,0]=4 17594 B15R1.119 CC(O)CCCOCC1CCNC(=O)C1 34a_100009886756_200000718107 [0,1,0,1,0,0|2,0,0]=4 17595 B15R1.361 CC(=O)OCCCCCOCC1CC1C 34a_100000744939_100000033007 [0,1,0,1,0,0|0,0,0]=2 17596 B15R1.361 CC(=O)OCCCCCOCC1CC1C 7a_100000744939_100000033007 [0,1,0,1,0,0|0,0,0]=2 17597 B15R1.361 CC(=O)OCCOCCOCC1CC1C 34a_100000744939_200000083610 [0,1,0,1,0,0|1,0,0]=3 17598 B15R1.361 CC(=O)OCCOCCOCC1CC1C 7a_100000744939_200000083610 [0,1,0,1,0,0|1,0,0]=3 17599 B15R1.5914 CC(=O)OCN1CCCCC1CN(C)C 269982a_100000746231_100000076356 [0,1,0,1,0,0|2,0,0]=4 17600 B15R1.5914 CC(=O)OCN1CCOCC1CC(C)C 269982a_100000755734_100000076356 [0,1,0,1,0,0|2,0,0]=4 17601 B15R1.5914 CC(=O)OCN1CCOCC1CC(C)C 34a_100000755734_100009813279 [0,1,0,1,0,0|2,0,0]=4 17602 B15R1.6603 CC(=O)CCCCN1CCCCC(C1)O 269982a_100025706797_100000735457 [0,1,0,1,0,0|2,0,0]=4 17603 B15R1.6603 CC(=O)OCCCN1CCCCC(C1)O 269982a_100025706797_100000042594 [0,1,0,1,0,0|1,0,0]=3 17604 B15R1.6603 CC(=O)OCCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000042594 [0,1,0,1,0,0|2,0,0]=4 17605 B15R1.6603 CC(=O)SCCCN1CCCCC(C1)O 2230a_100025706797_100000038929 [0,1,0,1,0,0|1,1,0]=4 17606 B15R1.6603 CC(=O)SCCCN1CCCCC(C1)O 269982a_100025706797_100000038929 [0,1,0,1,0,0|1,1,0]=4 17607 B15R1.6603 CC(=S)OCCCN1CCCCC(C1)O 2230a_100025706797_200135323944 [0,1,0,1,0,0|1,1,0]=4 17608 B15R1.6603 CC(=S)OCCCN1CCCCC(C1)O 269982a_100025706797_200135323944 [0,1,0,1,0,0|1,1,0]=4 17609 B15R1.6603 CC(C)CCCCN1CCCNC(=O)C1 2230a_100015190381_100011216152 [0,1,0,1,0,0|2,0,0]=4 17610 B15R1.6753 C=C1CC(C1)CNCCCCOC(=O)C 34a_100102567296_100000033659 [0,1,0,1,0,0|1,0,1]=4 17611 B15R1.6753 C=C1CC(C1)COCCCCOC(=O)C 34a_100011011225_100000033659 [0,1,0,1,0,0|1,0,1]=4 17612 B15R1.6753 C=C1CC(C1)NCCCCCOC(=O)C 2230a_100132301982_100009813381 [0,1,0,1,0,0|1,0,1]=4 17613 B15R1.6753 CC(=O)OCCCCCNC1CC(C1)F 2230a_100016993743_100009813381 [0,1,0,1,0,0|1,0,0]=3 17614 B15R1.6753 CC(=O)OCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009813381 [0,1,0,1,0,0|1,0,0]=3 17615 B15R1.6753 CC(=O)OCCCCCSC1CC(=O)C1 62a_100009894365_100000033007 [0,1,0,1,0,0|1,0,1]=4 17616 B15R1.6753 CC(=O)OCCCCOCC1CC(=O)C1 34a_100000101936_100000033659 [0,1,0,1,0,0|1,0,1]=4 17617 B15R1.6753 CC(=O)OCCCCOCC1CC(=O)C1 7a_100000073216_100009874392 [0,1,0,1,0,0|1,0,1]=4 17618 B15R1.6753 CC(=O)OCCCCOCC1CC(C1)Cl 34a_100009874164_100000033659 [0,1,0,1,0,0|1,0,0]=3 17619 B15R1.6753 CC(=O)OCCCCSCC1CC(=O)C1 62a_100000033659_100009874392 [0,1,0,1,0,0|1,0,1]=4 17620 B15R1.6753 CC(=O)OCCCCSCC1CC(=O)C1 62a_100009874392_100000033659 [0,1,0,1,0,0|1,0,1]=4 17621 B15R1.6753 CC(=O)OCCOCCNC1CC(C1)F 2230a_100016993743_200000083610 [0,1,0,1,0,0|2,0,0]=4 17622 B15R1.6753 CC(=O)OCCOCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000083610 [0,1,0,1,0,0|2,0,0]=4 17623 B15R1.6753 CC(=O)OCCOCOCC1CC(C1)Cl 34a_100009874164_100000076355 [0,1,0,1,0,0|2,0,0]=4 17624 B15R1.6753 CC(=O)SCCCCNCC1CC(C1)O 2230a_100016992100_200010402107 [0,1,0,1,0,0|1,1,0]=4 17625 B15R1.6753 CC(=O)SCCCCOCC1CC(C1)Cl 34a_100009874164_200010402107 [0,1,0,1,0,0|1,1,0]=4 17626 B15R1.6753 CC(C)CCCCCNCC1CC(=O)C1 2230a_100011290863_100009874392 [0,1,0,1,0,0|2,0,0]=4 17627 B15R1.6753 CC(C)CCCCCOCC1CC(=O)C1 34a_100000101936_100000210682 [0,1,0,1,0,0|2,0,0]=4 17628 B15R1.6753 CC(C)CCCCCOCC1CC(=O)C1 7a_100011995859_100009874392 [0,1,0,1,0,0|2,0,0]=4 17629 B15R1.6753 CC(C)CCCCCSCC1CC(=O)C1 62a_100000210682_100009874392 [0,1,0,1,0,0|2,0,0]=4 17630 B15R1.6753 CC(C)CCCCCSCC1CC(=O)C1 62a_100009874392_100000210682 [0,1,0,1,0,0|2,0,0]=4 17631 B15R1.8882 CC(=O)CCCN1CCCCC1C(C)C 269982a_100000757267_100011215641 [0,1,0,1,0,0|2,0,0]=4 17632 B15R1.8882 CC(=O)CCCN1CCCCC1C(C)C 34a_100000757267_100000685027 [0,1,0,1,0,0|2,0,0]=4 17633 B15R1.8882 CC(=O)CCOC1CCCCC1C(C)C 7a_100011709184_100000053229 [0,1,0,1,0,0|2,0,0]=4 17634 B15R1.8882 CC(=O)NCCC1CCCCN1C(C)C 11a_100011919236_100015343762 [0,1,0,1,0,0|2,0,0]=4 17635 B15R1.8882 CC(=O)NCCC1CCCCN1C(C)C 1626a_100011919236_100015343762 [0,1,0,1,0,0|2,0,0]=4 17636 B15R1.8882 CC(=O)NCCC1CCCCN1C(C)C 2230a_200011221479_100000210206 [0,1,0,1,0,0|2,0,0]=4 17637 B15R1.8882 CC(=O)NCCC1CCCCN1C(C)C 240690a_100011919236_100015343762 [0,1,0,1,0,0|2,0,0]=4 17638 B15R1.8882 CC(=O)NCCC1CCCCN1C(C)C 269982a_200011221479_100000210206 [0,1,0,1,0,0|2,0,0]=4 17639 B15R1.8882 CC(=O)NCCC1CCCCN1C(C)C 34a_200011221479_100000210206 [0,1,0,1,0,0|2,0,0]=4 17640 B15R1.8882 CC(=O)NCCC1CCCCN1C(C)C 527a_100011919236_100103153847 [0,1,0,1,0,0|2,0,0]=4 17641 B15R1.8882 CC(=O)NCCN1CCCCC1C(C)C 2230a_100000757267_100000189650 [0,1,0,1,0,0|2,0,0]=4 17642 B15R1.8882 CC(=O)NCCN1CCCCC1C(C)C 269982a_100000757267_100000189650 [0,1,0,1,0,0|2,0,0]=4 17643 B15R1.8882 CC(=O)OCCN1CCCCC1C(C)C 269982a_100000757267_100009814007 [0,1,0,1,0,0|1,0,0]=3 17644 B15R1.8882 CC(=O)OCCN1CCCCC1C(C)C 34a_100000757267_100009814007 [0,1,0,1,0,0|1,0,0]=3 17645 B15R1.8882 CC(=O)OCCN1CCOC[C@@H]1C(C)C 269982a_100025712635_100009814007 [0,1,0,1,0,0|2,0,0]=4 17646 B15R1.8882 CC(=O)OCCN1CCOC[C@@H]1C(C)C 34a_100025712635_100009814007 [0,1,0,1,0,0|2,0,0]=4 17647 B15R1.8882 CC(=O)OCOC1CCCCC1C(C)C 34a_100011709184_100009813279 [0,1,0,1,0,0|1,0,0]=3 17648 B15R1.8882 CC(C)C1CCCCN1CCOC(=O)N 269982a_100000757267_200011214921 [0,1,0,1,0,0|2,0,0]=4 17649 B15R1.8882 CC(C)C1CCCCN1CCOC(=O)N 34a_100000757267_200011214921 [0,1,0,1,0,0|2,0,0]=4 17650 B15R1.8884 CC(=O)CCCN1CCCC1CC(C)C 269982a_100000748429_100011215641 [0,1,0,1,0,0|2,0,0]=4 17651 B15R1.8884 CC(=O)CCCN1CCCC1CC(C)C 34a_100000748429_100000685027 [0,1,0,1,0,0|2,0,0]=4 17652 B15R1.8884 CC(=O)NCCN1CCCC1CC(C)C 2230a_100000748429_100000189650 [0,1,0,1,0,0|2,0,0]=4 17653 B15R1.8884 CC(=O)NCCN1CCCC1CC(C)C 269982a_100000748429_100000189650 [0,1,0,1,0,0|2,0,0]=4 17654 B15R1.8884 CC(=O)OCCN1CCCC1CC(C)C 269982a_100000748429_100009814007 [0,1,0,1,0,0|1,0,0]=3 17655 B15R1.8884 CC(=O)OCCN1CCCC1CC(C)C 34a_100000748429_100009814007 [0,1,0,1,0,0|1,0,0]=3 17656 B15R1.8884 CC(=O)OCCN1CCC[C@@H]1CN(C)C 269982a_200020645772_100009814007 [0,1,0,1,0,0|2,0,0]=4 17657 B15R1.8884 CC(C)CC1CCCN1CCOC(=O)N 269982a_100000748429_200011214921 [0,1,0,1,0,0|2,0,0]=4 17658 B15R1.8884 CC(C)CC1CCCN1CCOC(=O)N 34a_100000748429_200011214921 [0,1,0,1,0,0|2,0,0]=4 17659 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 2230a_200011996284_100000742324 [0,1,0,1,0,0|1,0,0]=3 17660 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 269862a_200011996284_100000741477 [0,1,0,1,0,0|1,0,0]=3 17661 B15R1.8900 CC(=O)NCCCCCCNCC1CC1 34a_200011996284_100000742324 [0,1,0,1,0,0|1,0,0]=3 17662 B15R1.8900 CC(=O)NCCCCCCNCC1CO1 2230a_200011996284_100011216344 [0,1,0,1,0,0|2,0,0]=4 17663 B15R1.8900 CC(=O)NCCCCCCNCC1CO1 34a_200011996284_102125554688 [0,1,0,1,0,0|2,0,0]=4 17664 B15R1.8900 CC(=O)NCCCCCNCCC1CC1 2230a_200012022750_100000694398 [0,1,0,1,0,0|1,0,0]=3 17665 B15R1.8900 CC(=O)NCCCCCNCCC1CC1 34a_200012022750_100000694398 [0,1,0,1,0,0|1,0,0]=3 17666 B15R1.8900 CC(=O)NCCCCCNCCC1CO1 2230a_200012022750_100000732470 [0,1,0,1,0,0|2,0,0]=4 17667 B15R1.8900 CC(=O)NCCCCCNCCC1CO1 34a_200012022750_100000732470 [0,1,0,1,0,0|2,0,0]=4 17668 B15R1.8900 CC(=O)NCCCCNCCCC1CO1 2230a_200011368371_100000733510 [0,1,0,1,0,0|2,0,0]=4 17669 B15R1.8900 CC(=O)NCCCCNCCCC1CO1 34a_200011368371_100000733510 [0,1,0,1,0,0|2,0,0]=4 17670 B15R1.8900 CC(=O)OCCCCCNCCC1CC1 34a_100000764129_100000033007 [0,1,0,1,0,0|0,0,0]=2 17671 B15R1.8900 CC(=O)OCCCCCOCCC1CC1 34a_100000754188_100000033007 [0,1,0,1,0,0|0,0,0]=2 17672 B15R1.8900 CC(=O)OCCCCCOCCC1CC1 7a_100000754188_100000033007 [0,1,0,1,0,0|0,0,0]=2 17673 B15R1.8900 CC(=O)OCCCCCOCC[C@@H]1CO1 34a_100009820653_100000033007 [0,1,0,1,0,0|1,0,0]=3 17674 B15R1.8900 CC(=O)OCCCCCSCCC1CC1 62a_100000033007_100000764125 [0,1,0,1,0,0|0,0,0]=2 17675 B15R1.8900 CC(=O)OCCCCCSCCC1CC1 62a_100000764125_100000033007 [0,1,0,1,0,0|0,0,0]=2 17676 B15R1.8900 CC(=O)OCCCCCSCCC1CO1 62a_100000033007_100000732470 [0,1,0,1,0,0|1,0,0]=3 17677 B15R1.8900 CC(=O)OCCCCCSCCC1CO1 62a_100000732470_100000033007 [0,1,0,1,0,0|1,0,0]=3 17678 B15R1.8900 CC(=O)OCCCCOCC#CC1CC1 34a_100000073216_100009895102 [0,1,0,1,0,0|0,0,2]=4 17679 B15R1.8900 CC(=O)OCCCCOCC#CC1CC1 34a_100000083941_100000033659 [0,1,0,1,0,0|0,0,2]=4 17680 B15R1.8900 CC(=O)OCCCCOCC#CC1CC1 7a_100000073216_100009895102 [0,1,0,1,0,0|0,0,2]=4 17681 B15R1.8900 CC(=O)OCCCCOCC#CC1CC1 7a_100000083941_100000033659 [0,1,0,1,0,0|0,0,2]=4 17682 B15R1.8900 CC(=O)OCCCCOCCCC1CO1 34a_100000073216_100000733510 [0,1,0,1,0,0|1,0,0]=3 17683 B15R1.8900 CC(=O)OCCCCOCCCC1CO1 7a_100000073216_100000733510 [0,1,0,1,0,0|1,0,0]=3 17684 B15R1.8900 CC(=O)OCCCCOCCNC1CC1 34a_100000738766_100000033659 [0,1,0,1,0,0|1,0,0]=3 17685 B15R1.8900 CC(=O)OCCCCSCC#CC1CC1 62a_100000033659_100009895102 [0,1,0,1,0,0|0,0,2]=4 17686 B15R1.8900 CC(=O)OCCCCSCC#CC1CC1 62a_100009895102_100000033659 [0,1,0,1,0,0|0,0,2]=4 17687 B15R1.8900 CC(=O)OCCCCSCCCC1CO1 62a_100000033659_100000733510 [0,1,0,1,0,0|1,0,0]=3 17688 B15R1.8900 CC(=O)OCCCCSCCCC1CO1 62a_100000733510_100000033659 [0,1,0,1,0,0|1,0,0]=3 17689 B15R1.8900 CC(=O)OCCOCCNCCC1CC1 34a_100000764129_200000083610 [0,1,0,1,0,0|1,0,0]=3 17690 B15R1.8900 CC(=O)OCCOCCOCCC1CC1 34a_100000754188_200000083610 [0,1,0,1,0,0|1,0,0]=3 17691 B15R1.8900 CC(=O)OCCOCCOCCC1CC1 7a_100000754188_200000083610 [0,1,0,1,0,0|1,0,0]=3 17692 B15R1.8900 CC(=O)OCCOCCOCC[C@@H]1CO1 34a_100009820653_200000083610 [0,1,0,1,0,0|2,0,0]=4 17693 B15R1.8900 CC(=O)OCCOCCSCCC1CC1 62a_100000764125_200000083610 [0,1,0,1,0,0|1,0,0]=3 17694 B15R1.8900 CC(=O)OCCOCCSCCC1CC1 62a_200000083610_100000764125 [0,1,0,1,0,0|1,0,0]=3 17695 B15R1.8900 CC(=O)OCCOCCSCCC1CO1 62a_100000732470_200000083610 [0,1,0,1,0,0|2,0,0]=4 17696 B15R1.8900 CC(=O)OCCOCCSCCC1CO1 62a_200000083610_100000732470 [0,1,0,1,0,0|2,0,0]=4 17697 B15R1.8900 CC(=O)OCCOCOCCNC1CC1 34a_100000738766_100000076355 [0,1,0,1,0,0|2,0,0]=4 17698 B15R1.8900 CC(=O)OCCOCSCCCC1CO1 62a_100000076355_100000733510 [0,1,0,1,0,0|2,0,0]=4 17699 B15R1.8900 CC(=O)OCCOCSCCCC1CO1 62a_100000733510_100000076355 [0,1,0,1,0,0|2,0,0]=4 17700 B15R1.8900 CC(=O)OCOCCCCOCC1CO1 34a_100010889290_100009813279 [0,1,0,1,0,0|2,0,0]=4 17701 B15R1.8900 CC(=O)SCCCCCCNCC1CC1 269862a_100000704104_100000741477 [0,1,0,1,0,0|0,1,0]=3 17702 B15R1.8900 CC(=O)SCCCCOCCNC1CC1 34a_100000738766_200010402107 [0,1,0,1,0,0|1,1,0]=4 17703 B15R1.8900 CC(=O)SCCCCSCCCC1CO1 62a_100000733510_200010402107 [0,1,0,1,0,0|1,1,0]=4 17704 B15R1.8900 CC(=O)SCCCCSCCCC1CO1 62a_200010402107_100000733510 [0,1,0,1,0,0|1,1,0]=4 17705 B15R1.8943 CC(=O)NCCNC1CCCCC1(C)C 269862a_100000209853_100000031690 [0,1,0,1,0,0|2,0,0]=4 17706 B15R1.8943 CC(=O)OCCCN1CCOCC1(C)C 269982a_100000724681_100000042594 [0,1,0,1,0,0|2,0,0]=4 17707 B15R1.8943 CC(=O)OCCCN1CCOCC1(C)C 34a_100000724681_100000042594 [0,1,0,1,0,0|2,0,0]=4 17708 B15R1.8943 CC(=O)OCCNC1CCCCC1(F)F 34a_100000686509_100009814007 [0,1,0,1,0,0|2,0,0]=4 17709 B15R1.8943 CC(=O)OCCOC1CCNCC1(C)C 34a_100000709803_100009814007 [0,1,0,1,0,0|2,0,0]=4 17710 B15R1.8943 CC(=O)OCCSC1CCCCC1(F)F 62a_100009814007_200009832135 [0,1,0,1,0,0|2,0,0]=4 17711 B15R1.8943 CC(=O)OCCSC1CCCCC1(F)F 62a_200009832135_100009814007 [0,1,0,1,0,0|2,0,0]=4 17712 B15R1.8943 CC(=O)SCCNC1CCCCC1(C)C 269862a_100020647217_100000031690 [0,1,0,1,0,0|1,1,0]=4 17713 B15R1.8944 CC(=O)CCCCN1CCCC1C(C)C 269982a_100000762757_100000735457 [0,1,0,1,0,0|2,0,0]=4 17714 B15R1.8944 CC(=O)CCCCN1CCCC1C(C)C 34a_100000762757_100009817362 [0,1,0,1,0,0|2,0,0]=4 17715 B15R1.8944 CC(=O)N1CCC[C@@H]1COCCC(C)C 34a_100012242843_100000210312 [0,1,0,1,0,0|2,0,0]=4 17716 B15R1.8944 CC(=O)N1CCC[C@@H]1COCCC(C)C 7a_100012242843_100000210626 [0,1,0,1,0,0|2,0,0]=4 17717 B15R1.8944 CC(=O)N1CCC[C@@H]1COCCC(C)O 34a_100012242843_100012276601 [0,1,0,1,0,0|2,0,0]=4 17718 B15R1.8944 CC(=O)N1CCC[C@@H]1COCCC(C)O 7a_100012242843_100012276601 [0,1,0,1,0,0|2,0,0]=4 17719 B15R1.8944 CC(=O)OCCCN1CCCC1C(C)C 269982a_100000762757_100000042594 [0,1,0,1,0,0|1,0,0]=3 17720 B15R1.8944 CC(=O)OCCCN1CCCC1C(C)C 34a_100000762757_100000042594 [0,1,0,1,0,0|1,0,0]=3 17721 B15R1.8944 CC(=O)SCCCN1CCCC1C(C)C 2230a_100000762757_100000038929 [0,1,0,1,0,0|1,1,0]=4 17722 B15R1.8944 CC(=O)SCCCN1CCCC1C(C)C 269982a_100000762757_100000038929 [0,1,0,1,0,0|1,1,0]=4 17723 B15R1.8944 CC(=O)SCCCN1CCCC1C(C)C 34a_100000762757_100000038929 [0,1,0,1,0,0|1,1,0]=4 17724 B15R1.8944 CC(=S)OCCCN1CCCC1C(C)C 2230a_100000762757_200135323944 [0,1,0,1,0,0|1,1,0]=4 17725 B15R1.8944 CC(=S)OCCCN1CCCC1C(C)C 269982a_100000762757_200135323944 [0,1,0,1,0,0|1,1,0]=4 17726 B15R1.8944 CC(=S)OCCCN1CCCC1C(C)C 34a_100000762757_200135323944 [0,1,0,1,0,0|1,1,0]=4 17727 B15R1.8972 CC(=O)CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100009817362 [0,1,0,1,0,0|2,0,0]=4 17728 B15R1.8972 CC(=O)CCCCOC1CCCC1(C)C 34a_100000726220_100009817362 [0,1,0,1,0,0|2,0,0]=4 17729 B15R1.8972 CC(=O)CCCCOC1CCCC1(C)C 7a_100000726220_100000735457 [0,1,0,1,0,0|2,0,0]=4 17730 B15R1.8972 CC(=O)NCCCNC1CCCC1(C)C 269862a_100000736810_100000065263 [0,1,0,1,0,0|2,0,0]=4 17731 B15R1.8972 CC(=O)OCCCCN1CCCC1(C)C 269982a_100000761399_100000033659 [0,1,0,1,0,0|1,0,0]=3 17732 B15R1.8972 CC(=O)OCCCCN1CCCC1(C)C 34a_100000761399_100000033659 [0,1,0,1,0,0|1,0,0]=3 17733 B15R1.8972 CC(=O)OCCCCN1CCSC1(C)C 269982a_100011217261_100000033659 [0,1,0,1,0,0|2,0,0]=4 17734 B15R1.8972 CC(=O)OCCCCN1CCSC1(C)C 34a_100011217261_100000033659 [0,1,0,1,0,0|2,0,0]=4 17735 B15R1.8972 CC(=O)OCCCCN1COCC1(C)C 269982a_100000043020_100000033659 [0,1,0,1,0,0|2,0,0]=4 17736 B15R1.8972 CC(=O)OCCCNC1CCCC1(F)F 34a_100000767123_100000042594 [0,1,0,1,0,0|2,0,0]=4 17737 B15R1.8972 CC(=O)OCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000042594 [0,1,0,1,0,0|1,0,0]=3 17738 B15R1.8972 CC(=O)OCCCOC1CCCC1(C)C 34a_100000726220_100000042594 [0,1,0,1,0,0|1,0,0]=3 17739 B15R1.8972 CC(=O)OCCCOC1CCCC1(C)C 7a_100000726220_100000042594 [0,1,0,1,0,0|1,0,0]=3 17740 B15R1.8972 CC(=O)OCCCSC1CCCC1(F)F 62a_100000042594_100119073726 [0,1,0,1,0,0|2,0,0]=4 17741 B15R1.8972 CC(=O)OCCCSC1CCCC1(F)F 62a_100119073726_100000042594 [0,1,0,1,0,0|2,0,0]=4 17742 B15R1.8972 CC(=O)OCCOCN1CCCC1(C)C 269982a_100000761399_100000076355 [0,1,0,1,0,0|2,0,0]=4 17743 B15R1.8972 CC(=O)OCCOCN1CCCC1(C)C 34a_100000761399_100000076355 [0,1,0,1,0,0|2,0,0]=4 17744 B15R1.8972 CC(=O)SCCCCN1CCCC1(C)C 2230a_100000761399_200010402107 [0,1,0,1,0,0|1,1,0]=4 17745 B15R1.8972 CC(=O)SCCCCN1CCCC1(C)C 269982a_100000761399_200010402107 [0,1,0,1,0,0|1,1,0]=4 17746 B15R1.8972 CC(=O)SCCCCN1CCCC1(C)C 34a_100000761399_200010402107 [0,1,0,1,0,0|1,1,0]=4 17747 B15R1.8972 CC(=O)SCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000038929 [0,1,0,1,0,0|1,1,0]=4 17748 B15R1.8972 CC(=O)SCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000038929 [0,1,0,1,0,0|1,1,0]=4 17749 B15R1.8972 CC(=O)SCCCOC1CCCC1(C)C 34a_100000726220_100000038929 [0,1,0,1,0,0|1,1,0]=4 17750 B15R1.8972 CC(=O)SCCCOC1CCCC1(C)C 7a_100000726220_100000038929 [0,1,0,1,0,0|1,1,0]=4 17751 B15R1.8972 CC(=S)OCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_200135323944 [0,1,0,1,0,0|1,1,0]=4 17752 B15R1.8972 CC(=S)OCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_200135323944 [0,1,0,1,0,0|1,1,0]=4 17753 B15R1.8972 CC(=S)OCCCOC1CCCC1(C)C 34a_100000726220_200135323944 [0,1,0,1,0,0|1,1,0]=4 17754 B15R1.8972 CC(=S)OCCCOC1CCCC1(C)C 7a_100000726220_200135323944 [0,1,0,1,0,0|1,1,0]=4 17755 B15R1.12182 CC(=O)CCN1CCCCCC1C(C)C 269982a_100000697956_100000053229 [0,1,0,1,0,0|2,0,0]=4 17756 B15R1.12182 CC(=O)OCN1CCCCCC1C(C)C 269982a_100000697956_100000076356 [0,1,0,1,0,0|1,0,0]=3 17757 B15R1.12182 CC(=O)OCN1CCCCCC1C(C)C 34a_100000697956_100009813279 [0,1,0,1,0,0|1,0,0]=3 17758 B15R1.31278 CC(=O)OCCCCCNC1CC1(F)F 2230a_100020610826_100009813381 [0,1,0,1,0,0|2,0,0]=4 17759 B15R1.31278 CC(=O)OCCCCCNC1CC1(F)F 34a_100020610826_100000033007 [0,1,0,1,0,0|2,0,0]=4 17760 B15R1.31278 CC(=O)OCCCCOCC1CC1(C)C 34a_100000728257_100000033659 [0,1,0,1,0,0|1,0,0]=3 17761 B15R1.31278 CC(=O)OCCCCOCC1CC1(C)C 7a_100000728257_100000033659 [0,1,0,1,0,0|1,0,0]=3 17762 B15R1.31278 CC(=O)OCCCCOCC1CC1(F)F 34a_100000056500_100000033659 [0,1,0,1,0,0|2,0,0]=4 17763 B15R1.31278 CC(=O)OCCCCOCC1CC1(F)F 34a_100000073216_100009817841 [0,1,0,1,0,0|2,0,0]=4 17764 B15R1.31278 CC(=O)OCCCCOCC1CC1(F)F 7a_100000056500_100000033659 [0,1,0,1,0,0|2,0,0]=4 17765 B15R1.31278 CC(=O)OCCCCOCC1CC1(F)F 7a_100000073216_100009817841 [0,1,0,1,0,0|2,0,0]=4 17766 B15R1.31278 CC(=O)OCCCCOCC1OC1(C)C 34a_200010283642_100000033659 [0,1,0,1,0,0|2,0,0]=4 17767 B15R1.31278 CC(=O)OCCCCOCC1OC1(C)C 7a_200010283642_100000033659 [0,1,0,1,0,0|2,0,0]=4 17768 B15R1.31278 CC(=O)OCCCCSCC1CC1(F)F 62a_100000033659_100009817841 [0,1,0,1,0,0|2,0,0]=4 17769 B15R1.31278 CC(=O)OCCCCSCC1CC1(F)F 62a_100009817841_100000033659 [0,1,0,1,0,0|2,0,0]=4 17770 B15R1.31278 CC(=O)OCCCOCCC1CC1(F)F 34a_100009864177_100000042594 [0,1,0,1,0,0|2,0,0]=4 17771 B15R1.31278 CC(=O)OCCCOCCC1CC1(F)F 7a_100009864177_100000042594 [0,1,0,1,0,0|2,0,0]=4 17772 B15R1.31278 CC(=O)OCCOCOCC1CC1(C)C 34a_100000728257_100000076355 [0,1,0,1,0,0|2,0,0]=4 17773 B15R1.31278 CC(=O)SCCCCOCC1CC1(C)C 34a_100000728257_200010402107 [0,1,0,1,0,0|1,1,0]=4 17774 B15R1.31278 CC(=O)SCCCCOCC1CC1(C)C 7a_100000728257_200010402107 [0,1,0,1,0,0|1,1,0]=4 17775 B15R1.362 CC1CCCCC1NCCOS(=O)(=O)C 2230a_100000211402_200000036756 [0,1,0,1,0,0|2,0,0]=4 17776 B15R1.362 CC1CCCCC1NCCOS(=O)(=O)C 34a_100000211402_200000036756 [0,1,0,1,0,0|2,0,0]=4 17777 B15R1.362 CC1CCCCC1OCCOS(=O)(=O)C 34a_100000211207_200000036756 [0,1,0,1,0,0|2,0,0]=4 17778 B15R1.362 CC1CCCCC1OCCOS(=O)(=O)C 7a_100000211207_200000036756 [0,1,0,1,0,0|2,0,0]=4 17779 B15R1.1974 CCCCCCCCOCC1OC1(C)C 34a_200010283642_100000210759 [0,1,0,1,0,0|1,0,1]=4 17780 B15R1.1974 CCCCCCCCOCC1OC1(C)C 7a_200010283642_100000210759 [0,1,0,1,0,0|1,0,1]=4 17781 B15R1.3531 CCC1CCCCN1CCOS(=O)(=O)C 2230a_100000210034_200000036756 [0,1,0,1,0,0|2,0,0]=4 17782 B15R1.3531 CCC1CCCCN1CCOS(=O)(=O)C 269982a_100000210034_200000036756 [0,1,0,1,0,0|2,0,0]=4 17783 B15R1.3531 CCC1CCCCN1CCOS(=O)(=O)C 34a_100000210034_200000036756 [0,1,0,1,0,0|2,0,0]=4 17784 B15R1.3890 CC(C)(C)OCCCCC1CCCCC1 34a_100011215267_100000210625 [0,1,0,1,0,0|1,0,1]=4 17785 B15R1.3890 CS(=O)(=O)OCCNCC1CCCCC1 2230a_100000210473_200000036756 [0,1,0,1,0,0|2,0,0]=4 17786 B15R1.3890 CS(=O)(=O)OCCNCC1CCCCC1 34a_100000210473_200000036756 [0,1,0,1,0,0|2,0,0]=4 17787 B15R1.3890 CS(=O)(=O)OCCOCC1CCCCC1 34a_100000212181_200000036756 [0,1,0,1,0,0|2,0,0]=4 17788 B15R1.3890 CS(=O)(=O)OCCOCC1CCCCC1 7a_100000212181_200000036756 [0,1,0,1,0,0|2,0,0]=4 17789 B15R1.3890 CS(=O)(=O)OCCSCC1CCCCC1 62a_100000211423_200000036756 [0,1,0,1,0,0|2,0,0]=4 17790 B15R1.3890 CS(=O)(=O)OCCSCC1CCCCC1 62a_200000036756_100000211423 [0,1,0,1,0,0|2,0,0]=4 17791 B15R1.3891 CS(=O)(=O)OCCNCCC1CCCC1 2230a_100000739158_200000036756 [0,1,0,1,0,0|2,0,0]=4 17792 B15R1.3891 CS(=O)(=O)OCCNCCC1CCCC1 34a_100000739158_200000036756 [0,1,0,1,0,0|2,0,0]=4 17793 B15R1.3891 CS(=O)(=O)OCCOCCC1CCCC1 34a_100000749090_200000036756 [0,1,0,1,0,0|2,0,0]=4 17794 B15R1.3891 CS(=O)(=O)OCCOCCC1CCCC1 7a_100000749090_200000036756 [0,1,0,1,0,0|2,0,0]=4 17795 B15R1.3891 CS(=O)(=O)OCCSCCC1CCCC1 62a_100000760354_200000036756 [0,1,0,1,0,0|2,0,0]=4 17796 B15R1.3891 CS(=O)(=O)OCCSCCC1CCCC1 62a_200000036756_100000760354 [0,1,0,1,0,0|2,0,0]=4 17797 B15R1.11842 CCCCCCCCCCOC1(CC1)C 7a_100011725673_100000210320 [0,1,0,1,0,0|1,0,1]=4 17798 B15R1.16600 CS(=O)(=O)OCCNC1CCCCCC1 2230a_100000210984_200000036756 [0,1,0,1,0,0|2,0,0]=4 17799 B15R1.16600 CS(=O)(=O)OCCNC1CCCCCC1 34a_100000210984_200000036756 [0,1,0,1,0,0|2,0,0]=4 17800 B15R1.16600 CS(=O)(=O)OCCOC1CCCCCC1 34a_100000210887_200000036756 [0,1,0,1,0,0|2,0,0]=4 17801 B15R1.16600 CS(=O)(=O)OCCOC1CCCCCC1 7a_100000210887_200000036756 [0,1,0,1,0,0|2,0,0]=4 17802 B15R1.16600 CS(=O)(=O)OCCSC1CCCCCC1 62a_100011217769_200000036756 [0,1,0,1,0,0|2,0,0]=4 17803 B15R1.16600 CS(=O)(=O)OCCSC1CCCCCC1 62a_200000036756_100011217769 [0,1,0,1,0,0|2,0,0]=4 17804 B15R1.16614 CS(=O)(=O)NCCC1CCCCCCC1 40a_100011532352_100000738038 [0,1,0,1,0,0|2,0,0]=4 17805 B15R1.16614 CS(=O)(=O)OCCN1CCCCCCC1 2230a_100000211400_200000036756 [0,1,0,1,0,0|2,0,0]=4 17806 B15R1.16614 CS(=O)(=O)OCCN1CCCCCCC1 269982a_100000211400_200000036756 [0,1,0,1,0,0|2,0,0]=4 17807 B15R1.16614 CS(=O)(=O)OCCN1CCCCCCC1 34a_100000211400_200000036756 [0,1,0,1,0,0|2,0,0]=4 17808 B15R1.127 CCCCC(C)OCC1CCNC(=O)C1 34a_100009886756_200011215066 [0,1,0,1,0,0|2,0,0]=4 17809 B15R1.131 C=C(C)COCCCN1CCCCC1C 34a_100000213889_100000748629 [0,1,0,1,0,0|2,0,0]=4 17810 B15R1.131 C=C(C)COCCCN1CCCCC1C 7a_100000213889_100000748629 [0,1,0,1,0,0|2,0,0]=4 17811 B15R1.131 CC(=O)CCCCNC1CCCCC1C 34a_100000211402_100009817362 [0,1,0,1,0,0|1,0,0]=3 17812 B15R1.131 CC(=O)CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817362 [0,1,0,1,0,0|2,0,0]=4 17813 B15R1.131 CC(=O)CCCCOC1CCCCC1C 34a_100000211207_100009817362 [0,1,0,1,0,0|1,0,0]=3 17814 B15R1.131 CC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000735457 [0,1,0,1,0,0|1,0,0]=3 17815 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 34a_100000038908_100009817362 [0,1,0,1,0,0|2,0,0]=4 17816 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 7a_100000038908_100000735457 [0,1,0,1,0,0|2,0,0]=4 17817 B15R1.131 CC(=O)CCCCOC1CCNCC1C 34a_100011998114_100009817362 [0,1,0,1,0,0|2,0,0]=4 17818 B15R1.131 CC(=O)CCCCOC1CNCCC1C 34a_100000696640_100009817362 [0,1,0,1,0,0|2,0,0]=4 17819 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817362 [0,1,0,1,0,0|2,0,0]=4 17820 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000735457 [0,1,0,1,0,0|2,0,0]=4 17821 B15R1.131 CC(=O)CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817362 [0,1,0,1,0,0|2,0,0]=4 17822 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100000735457_100015423560 [0,1,0,1,0,0|2,0,0]=4 17823 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100015423560_100000735457 [0,1,0,1,0,0|2,0,0]=4 17824 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000038908_100000735457 [0,1,0,1,0,0|2,0,0]=4 17825 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000735457_100000038908 [0,1,0,1,0,0|2,0,0]=4 17826 B15R1.131 CC(=O)CCCNCC1CCCCC1O 34a_100011216029_100000685027 [0,1,0,1,0,0|2,0,0]=4 17827 B15R1.131 CC(=O)CCCNCC1CCCCN1C 34a_100011228421_100000685027 [0,1,0,1,0,0|2,0,0]=4 17828 B15R1.131 CC(=O)CCCOCC1CCCCN1C 34a_100000225079_100000685027 [0,1,0,1,0,0|2,0,0]=4 17829 B15R1.131 CC(=O)CCCOCC1CCCCN1C 34a_100000759063_100015186950 [0,1,0,1,0,0|2,0,0]=4 17830 B15R1.131 CC(=O)CCCOCC1CCCCN1C 7a_100000759063_100015185383 [0,1,0,1,0,0|2,0,0]=4 17831 B15R1.131 CC(=O)CCCSCC1CCCCN1C 62a_100011215641_100015185383 [0,1,0,1,0,0|2,0,0]=4 17832 B15R1.131 CC(=O)CCCSCC1CCCCN1C 62a_100015185383_100011215641 [0,1,0,1,0,0|2,0,0]=4 17833 B15R1.131 CC(=O)CCOCCC1CCCCN1C 34a_100000759926_100000211948 [0,1,0,1,0,0|2,0,0]=4 17834 B15R1.131 CC(=O)CCOCCC1CCCCN1C 7a_100000759926_100000211948 [0,1,0,1,0,0|2,0,0]=4 17835 B15R1.131 CC(=O)CCSCCC1CCCCN1C 62a_100000053229_100000211948 [0,1,0,1,0,0|2,0,0]=4 17836 B15R1.131 CC(=O)CCSCCC1CCCCN1C 62a_100000211948_100000053229 [0,1,0,1,0,0|2,0,0]=4 17837 B15R1.131 CC(=O)NCCCNC1CCCCC1C 269862a_100000736810_100000210921 [0,1,0,1,0,0|1,0,0]=3 17838 B15R1.131 CC(=O)NCCCNC1CCCCC1C 270004a_100000736810_100000210921 [0,1,0,1,0,0|1,0,0]=3 17839 B15R1.131 CC(=O)NCCCNC1CCCCC1F 34a_100000736810_100015423560 [0,1,0,1,0,0|2,0,0]=4 17840 B15R1.131 CC(=O)NCCCNC1CCCCC1O 34a_100000736810_100000038908 [0,1,0,1,0,0|2,0,0]=4 17841 B15R1.131 CC(=O)NCCCNC1CCNCC1C 270004a_100000736810_100000703950 [0,1,0,1,0,0|2,0,0]=4 17842 B15R1.131 CC(=O)NCCCNC1CCOCC1C 270004a_100000736810_100000755695 [0,1,0,1,0,0|2,0,0]=4 17843 B15R1.131 CC(=O)NCCCOC1CCCCC1F 34a_100000752032_100015423560 [0,1,0,1,0,0|2,0,0]=4 17844 B15R1.131 CC(=O)NCCCOC1CCCCC1O 34a_100000752032_100000038908 [0,1,0,1,0,0|2,0,0]=4 17845 B15R1.131 CC(=O)NCCOCC1CCCCN1C 34a_100000158858_100015186950 [0,1,0,1,0,0|2,0,0]=4 17846 B15R1.131 CC(=O)NCCSCC1CCCCN1C 62a_100000189650_100015185383 [0,1,0,1,0,0|2,0,0]=4 17847 B15R1.131 CC(=O)NCCSCC1CCCCN1C 62a_100015185383_100000189650 [0,1,0,1,0,0|2,0,0]=4 17848 B15R1.131 CC(=O)OCCCCN1CCCCC1C 269982a_100000211376_100000033659 [0,1,0,1,0,0|0,0,0]=2 17849 B15R1.131 CC(=O)OCCCCN1CCCCC1C 34a_100000211376_100000033659 [0,1,0,1,0,0|0,0,0]=2 17850 B15R1.131 CC(=O)OCCCCN1CCOC[C@@H]1C 269982a_100009815349_100000033659 [0,1,0,1,0,0|1,0,0]=3 17851 B15R1.131 CC(=O)OCCCCN1CCOC[C@@H]1C 34a_100009815349_100000033659 [0,1,0,1,0,0|1,0,0]=3 17852 B15R1.131 CC(=O)OCCCNC1CCCCC1C 34a_100000211402_100000042594 [0,1,0,1,0,0|0,0,0]=2 17853 B15R1.131 CC(=O)OCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000042594 [0,1,0,1,0,0|1,0,0]=3 17854 B15R1.131 CC(=O)OCCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000042594 [0,1,0,1,0,0|2,0,0]=4 17855 B15R1.131 CC(=O)OCCCOC1CCCCC1=O 34a_100011214950_100000042594 [0,1,0,1,0,0|1,0,1]=4 17856 B15R1.131 CC(=O)OCCCOC1CCCCC1C 34a_100000211207_100000042594 [0,1,0,1,0,0|0,0,0]=2 17857 B15R1.131 CC(=O)OCCCOC1CCCCC1C 7a_100000211207_100000042594 [0,1,0,1,0,0|0,0,0]=2 17858 B15R1.131 CC(=O)OCCCOC1CCCCC1Cl 34a_100000038908_100000042594 [0,1,0,1,0,0|1,0,0]=3 17859 B15R1.131 CC(=O)OCCCOC1CCCCC1Cl 7a_100000038908_100000042594 [0,1,0,1,0,0|1,0,0]=3 17860 B15R1.131 CC(=O)OCCCOC1CCNCC1C 34a_100011998114_100000042594 [0,1,0,1,0,0|1,0,0]=3 17861 B15R1.131 CC(=O)OCCCOC1CNCCC1C 34a_100000696640_100000042594 [0,1,0,1,0,0|1,0,0]=3 17862 B15R1.131 CC(=O)OCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000042594 [0,1,0,1,0,0|1,0,0]=3 17863 B15R1.131 CC(=O)OCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000042594 [0,1,0,1,0,0|1,0,0]=3 17864 B15R1.131 CC(=O)OCCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000042594 [0,1,0,1,0,0|2,0,0]=4 17865 B15R1.131 CC(=O)OCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000042594 [0,1,0,1,0,0|1,0,0]=3 17866 B15R1.131 CC(=O)OCCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000042594 [0,1,0,1,0,0|2,0,0]=4 17867 B15R1.131 CC(=O)OCCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000042594 [0,1,0,1,0,0|2,0,0]=4 17868 B15R1.131 CC(=O)OCCCSC1CCCCC1=O 62a_100000042594_100000204591 [0,1,0,1,0,0|1,0,1]=4 17869 B15R1.131 CC(=O)OCCCSC1CCCCC1=O 62a_100000204591_100000042594 [0,1,0,1,0,0|1,0,1]=4 17870 B15R1.131 CC(=O)OCCCSC1CCCCC1F 62a_100000042594_100015423560 [0,1,0,1,0,0|1,0,0]=3 17871 B15R1.131 CC(=O)OCCCSC1CCCCC1F 62a_100015423560_100000042594 [0,1,0,1,0,0|1,0,0]=3 17872 B15R1.131 CC(=O)OCCCSC1CCCCC1O 62a_100000038908_100000042594 [0,1,0,1,0,0|1,0,0]=3 17873 B15R1.131 CC(=O)OCCCSC1CCCCC1O 62a_100000042594_100000038908 [0,1,0,1,0,0|1,0,0]=3 17874 B15R1.131 CC(=O)OCCNCC1CCCCC1O 34a_100011216029_100009814007 [0,1,0,1,0,0|1,0,0]=3 17875 B15R1.131 CC(=O)OCCNCC1CCCCN1C 34a_100011228421_100009814007 [0,1,0,1,0,0|1,0,0]=3 17876 B15R1.131 CC(=O)OCCOCC1CC=CCC1C 34a_100000211322_100009814007 [0,1,0,1,0,0|0,0,2]=4 17877 B15R1.131 CC(=O)OCCOCC1CCCCC1=O 34a_100009861125_100009814007 [0,1,0,1,0,0|1,0,1]=4 17878 B15R1.131 CC(=O)OCCOCC1CCCCC1=O 7a_100009861125_100009814007 [0,1,0,1,0,0|1,0,1]=4 17879 B15R1.131 CC(=O)OCCOCC1CCCCN1C 34a_100000225079_100009814007 [0,1,0,1,0,0|1,0,0]=3 17880 B15R1.131 CC(=O)OCCOCC1COCCC1N 34a_214813039666_100009814007 [0,1,0,1,0,0|2,0,0]=4 17881 B15R1.131 CC(=O)OCCOCC1COCCN1C 34a_100013547906_100009814007 [0,1,0,1,0,0|2,0,0]=4 17882 B15R1.131 CC(=O)OCCOCN1CCCCC1C 269982a_100000211376_100000076355 [0,1,0,1,0,0|1,0,0]=3 17883 B15R1.131 CC(=O)OCCOCN1CCCCC1C 34a_100000211376_100000076355 [0,1,0,1,0,0|1,0,0]=3 17884 B15R1.131 CC(=O)OCCOCN1CCOC[C@@H]1C 269982a_100009815349_100000076355 [0,1,0,1,0,0|2,0,0]=4 17885 B15R1.131 CC(=O)OCCOCN1CCOC[C@@H]1C 34a_100009815349_100000076355 [0,1,0,1,0,0|2,0,0]=4 17886 B15R1.131 CC(=O)OCCSCC1CCCCN1C 62a_100009814007_100015185383 [0,1,0,1,0,0|1,0,0]=3 17887 B15R1.131 CC(=O)OCCSCC1CCCCN1C 62a_100015185383_100009814007 [0,1,0,1,0,0|1,0,0]=3 17888 B15R1.131 CC(=O)OCNCCN1CCCCC1C 34a_100000739827_100009813279 [0,1,0,1,0,0|1,0,0]=3 17889 B15R1.131 CC(=O)OCOCCN1CCCCC1C 34a_100011305533_100009813279 [0,1,0,1,0,0|1,0,0]=3 17890 B15R1.131 CC(=O)OCSCCC1CCCCN1C 62a_100000076356_100000211948 [0,1,0,1,0,0|1,0,0]=3 17891 B15R1.131 CC(=O)OCSCCC1CCCCN1C 62a_100000211948_100000076356 [0,1,0,1,0,0|1,0,0]=3 17892 B15R1.131 CC(=O)SCCCCN1CCCCC1C 2230a_100000211376_200010402107 [0,1,0,1,0,0|0,1,0]=3 17893 B15R1.131 CC(=O)SCCCCN1CCCCC1C 269982a_100000211376_200010402107 [0,1,0,1,0,0|0,1,0]=3 17894 B15R1.131 CC(=O)SCCCCN1CCCCC1C 34a_100000211376_200010402107 [0,1,0,1,0,0|0,1,0]=3 17895 B15R1.131 CC(=O)SCCCCN1CCOC[C@@H]1C 2230a_100009815349_200010402107 [0,1,0,1,0,0|1,1,0]=4 17896 B15R1.131 CC(=O)SCCCCN1CCOC[C@@H]1C 269982a_100009815349_200010402107 [0,1,0,1,0,0|1,1,0]=4 17897 B15R1.131 CC(=O)SCCCCN1CCOC[C@@H]1C 34a_100009815349_200010402107 [0,1,0,1,0,0|1,1,0]=4 17898 B15R1.131 CC(=O)SCCCNC1CCCCC1C 2230a_100000211402_100000038929 [0,1,0,1,0,0|0,1,0]=3 17899 B15R1.131 CC(=O)SCCCNC1CCCCC1C 34a_100000211402_100000038929 [0,1,0,1,0,0|0,1,0]=3 17900 B15R1.131 CC(=O)SCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000038929 [0,1,0,1,0,0|1,1,0]=4 17901 B15R1.131 CC(=O)SCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000038929 [0,1,0,1,0,0|1,1,0]=4 17902 B15R1.131 CC(=O)SCCCOC1CCCCC1C 34a_100000211207_100000038929 [0,1,0,1,0,0|0,1,0]=3 17903 B15R1.131 CC(=O)SCCCOC1CCCCC1C 7a_100000211207_100000038929 [0,1,0,1,0,0|0,1,0]=3 17904 B15R1.131 CC(=O)SCCCOC1CCCCC1Cl 34a_100000038908_100000038929 [0,1,0,1,0,0|1,1,0]=4 17905 B15R1.131 CC(=O)SCCCOC1CCCCC1Cl 7a_100000038908_100000038929 [0,1,0,1,0,0|1,1,0]=4 17906 B15R1.131 CC(=O)SCCCOC1CCNCC1C 34a_100011998114_100000038929 [0,1,0,1,0,0|1,1,0]=4 17907 B15R1.131 CC(=O)SCCCOC1CNCCC1C 34a_100000696640_100000038929 [0,1,0,1,0,0|1,1,0]=4 17908 B15R1.131 CC(=O)SCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000038929 [0,1,0,1,0,0|1,1,0]=4 17909 B15R1.131 CC(=O)SCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000038929 [0,1,0,1,0,0|1,1,0]=4 17910 B15R1.131 CC(=O)SCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000038929 [0,1,0,1,0,0|1,1,0]=4 17911 B15R1.131 CC(=O)SCCCSC1CCCCC1F 62a_100000038929_100015423560 [0,1,0,1,0,0|1,1,0]=4 17912 B15R1.131 CC(=O)SCCCSC1CCCCC1F 62a_100015423560_100000038929 [0,1,0,1,0,0|1,1,0]=4 17913 B15R1.131 CC(=O)SCCCSC1CCCCC1O 62a_100000038908_100000038929 [0,1,0,1,0,0|1,1,0]=4 17914 B15R1.131 CC(=O)SCCCSC1CCCCC1O 62a_100000038929_100000038908 [0,1,0,1,0,0|1,1,0]=4 17915 B15R1.131 CC(=S)OCCCNC1CCCCC1C 2230a_100000211402_200135323944 [0,1,0,1,0,0|0,1,0]=3 17916 B15R1.131 CC(=S)OCCCNC1CCCCC1C 34a_100000211402_200135323944 [0,1,0,1,0,0|0,1,0]=3 17917 B15R1.131 CC(=S)OCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200135323944 [0,1,0,1,0,0|1,1,0]=4 17918 B15R1.131 CC(=S)OCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200135323944 [0,1,0,1,0,0|1,1,0]=4 17919 B15R1.131 CC(=S)OCCCOC1CCCCC1C 34a_100000211207_200135323944 [0,1,0,1,0,0|0,1,0]=3 17920 B15R1.131 CC(=S)OCCCOC1CCCCC1C 7a_100000211207_200135323944 [0,1,0,1,0,0|0,1,0]=3 17921 B15R1.131 CC(=S)OCCCOC1CCCCC1Cl 34a_100000038908_200135323944 [0,1,0,1,0,0|1,1,0]=4 17922 B15R1.131 CC(=S)OCCCOC1CCCCC1Cl 7a_100000038908_200135323944 [0,1,0,1,0,0|1,1,0]=4 17923 B15R1.131 CC(=S)OCCCOC1CCNCC1C 34a_100011998114_200135323944 [0,1,0,1,0,0|1,1,0]=4 17924 B15R1.131 CC(=S)OCCCOC1CNCCC1C 34a_100000696640_200135323944 [0,1,0,1,0,0|1,1,0]=4 17925 B15R1.131 CC(=S)OCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200135323944 [0,1,0,1,0,0|1,1,0]=4 17926 B15R1.131 CC(=S)OCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200135323944 [0,1,0,1,0,0|1,1,0]=4 17927 B15R1.131 CC(=S)OCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_200135323944 [0,1,0,1,0,0|1,1,0]=4 17928 B15R1.131 CC(=S)OCCCSC1CCCCC1F 62a_100015423560_200135323944 [0,1,0,1,0,0|1,1,0]=4 17929 B15R1.131 CC(=S)OCCCSC1CCCCC1F 62a_200135323944_100015423560 [0,1,0,1,0,0|1,1,0]=4 17930 B15R1.131 CC(=S)OCCCSC1CCCCC1O 62a_100000038908_200135323944 [0,1,0,1,0,0|1,1,0]=4 17931 B15R1.131 CC(=S)OCCCSC1CCCCC1O 62a_200135323944_100000038908 [0,1,0,1,0,0|1,1,0]=4 17932 B15R1.131 CC(C)OCCCNC1CCCCC1C 269862a_100000737246_100000210921 [0,1,0,1,0,0|1,0,1]=4 17933 B15R1.131 CC(C)OCCCNC1CCCCC1C 270004a_100000737246_100000210921 [0,1,0,1,0,0|1,0,1]=4 17934 B15R1.131 CC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000210921 [0,1,0,1,0,0|2,0,0]=4 17935 B15R1.131 CC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000210921 [0,1,0,1,0,0|2,0,0]=4 17936 B15R1.131 CC1CCCCC1NCCOCC(=O)N 2230a_100000211402_100000076697 [0,1,0,1,0,0|2,0,0]=4 17937 B15R1.131 CC1CCCCC1NCCOCC(=O)N 34a_100000211402_100000076697 [0,1,0,1,0,0|2,0,0]=4 17938 B15R1.131 CC1CCCCC1OCCOCC(=O)N 34a_100000211207_100000076697 [0,1,0,1,0,0|2,0,0]=4 17939 B15R1.131 CC1CCCCC1OCCOCC(=O)N 7a_100000211207_100000076697 [0,1,0,1,0,0|2,0,0]=4 17940 B15R1.131 CC1CCCCN1CCCCCC(=O)N 2230a_100000211376_100009817443 [0,1,0,1,0,0|2,0,0]=4 17941 B15R1.131 CC1CCCCN1CCCCCC(=O)N 269982a_100000211376_100009817443 [0,1,0,1,0,0|2,0,0]=4 17942 B15R1.131 CC1CCCCN1CCCCCC(=O)N 34a_100000211376_100009817443 [0,1,0,1,0,0|2,0,0]=4 17943 B15R1.131 CC1CCCCN1CCCCO[N+](=O)[O-] 269982a_100000211376_100015694321 [0,1,0,1,0,0|2,0,0]=4 17944 B15R1.131 CC1CCCCN1CCCCO[N+](=O)[O-] 34a_100000211376_100015694321 [0,1,0,1,0,0|2,0,0]=4 17945 B15R1.131 CC1CCCCN1CCCOCC(=O)N 34a_100000213889_100000187820 [0,1,0,1,0,0|2,0,0]=4 17946 B15R1.131 CC1CCCCN1CCCOCC(=O)N 7a_100000213889_100000187820 [0,1,0,1,0,0|2,0,0]=4 17947 B15R1.131 CC1CCCCN1CCCOCC(=O)[O-] 34a_100000213889_100020667443 [0,1,0,1,0,0|2,0,0]=4 17948 B15R1.131 CN1CCCCC1CNCCOC(=O)N 34a_100011228421_200011214921 [0,1,0,1,0,0|2,0,0]=4 17949 B15R1.131 CN1CCCCC1COCCOC(=O)N 34a_100000225079_200011214921 [0,1,0,1,0,0|2,0,0]=4 17950 B15R1.131 CN1CCCCC1COCCOC(=O)N 7a_100000766696_100015185383 [0,1,0,1,0,0|2,0,0]=4 17951 B15R1.131 CN1CCCCC1CSCCOC(=O)N 62a_100015185383_200011214921 [0,1,0,1,0,0|2,0,0]=4 17952 B15R1.131 CN1CCCCC1CSCCOC(=O)N 62a_200011214921_100015185383 [0,1,0,1,0,0|2,0,0]=4 17953 B15R1.131 NC(=O)OCCNCC1CCCCC1O 34a_100011216029_200011214921 [0,1,0,1,0,0|2,0,0]=4 17954 B15R1.156 CCCCC(C)COCC1COC(=O)O1 34a_100011995851_100000073702 [0,1,0,1,0,0|2,0,0]=4 17955 B15R1.156 CCCCC(C)COC[C@H]1COC(=O)N1 34a_100011995851_100015307671 [0,1,0,1,0,0|2,0,0]=4 17956 B15R1.156 CCCCC(C)COC[C@H]1COC(=O)N1 7a_100011995851_100015307671 [0,1,0,1,0,0|2,0,0]=4 17957 B15R1.156 CCCC[C@H](N)COCC1COC(=O)O1 34a_100011934283_100000073702 [0,1,0,1,0,0|2,0,0]=4 17958 B15R1.156 CCCC[C@H](N)COC[C@H]1COC(=O)N1 34a_100011934283_100015307671 [0,1,0,1,0,0|2,0,0]=4 17959 B15R1.504 C=C(C)CCNCCCC1CCCCC1 2230a_100011211642_100000730704 [0,1,0,1,0,0|2,0,0]=4 17960 B15R1.504 C=C(C)CCNCCCC1CCCCC1 34a_100011211642_100000730704 [0,1,0,1,0,0|2,0,0]=4 17961 B15R1.504 C=C(C)CCOCCCC1CCCCC1 34a_100000198086_100000730704 [0,1,0,1,0,0|2,0,0]=4 17962 B15R1.504 C=C(C)CCOCCCC1CCCCC1 34a_100000764851_100011713725 [0,1,0,1,0,0|2,0,0]=4 17963 B15R1.504 C=C(C)CCOCCCC1CCCCC1 7a_100000198086_100000730704 [0,1,0,1,0,0|2,0,0]=4 17964 B15R1.504 C=C(C)CCSCCCC1CCCCC1 62a_100000730704_100011713725 [0,1,0,1,0,0|2,0,0]=4 17965 B15R1.504 C=C(C)CCSCCCC1CCCCC1 62a_100011713725_100000730704 [0,1,0,1,0,0|2,0,0]=4 17966 B15R1.504 C=C(C)COCCCCC1CCCCC1 34a_100011215267_100000748629 [0,1,0,1,0,0|1,0,0]=3 17967 B15R1.504 C=C(C)COCCCCC1CCCCC1 7a_100011215267_100000748629 [0,1,0,1,0,0|1,0,0]=3 17968 B15R1.504 C=C(C)COCCCCC1CCNCC1 34a_100016989291_100000748629 [0,1,0,1,0,0|2,0,0]=4 17969 B15R1.504 C=C(F)COCCCCC1CCCCC1 34a_100011215267_100009893438 [0,1,0,1,0,0|1,0,1]=4 17970 B15R1.504 C=C(F)COCCCCC1CCCCC1 7a_100011215267_100000042424 [0,1,0,1,0,0|1,0,1]=4 17971 B15R1.504 CC(=CCCNCCC1CCCCC1)C 2230a_100000738074_100011217483 [0,1,0,1,0,0|2,0,0]=4 17972 B15R1.504 CC(=CCCNCCC1CCCCC1)C 34a_100000738074_100011217483 [0,1,0,1,0,0|2,0,0]=4 17973 B15R1.504 CC(=CCCOCCC1CCCCC1)C 34a_100011217863_100011217483 [0,1,0,1,0,0|2,0,0]=4 17974 B15R1.504 CC(=CCCOCCC1CCCCC1)C 7a_100011217863_100011217483 [0,1,0,1,0,0|2,0,0]=4 17975 B15R1.504 CC(=CCCSCCC1CCCCC1)C 62a_100011217483_100012355289 [0,1,0,1,0,0|2,0,0]=4 17976 B15R1.504 CC(=CCCSCCC1CCCCC1)C 62a_100012355289_100011217483 [0,1,0,1,0,0|2,0,0]=4 17977 B15R1.504 CC(=CCNCCCC1CCCCC1)C 2230a_100011211642_100000761012 [0,1,0,1,0,0|2,0,0]=4 17978 B15R1.504 CC(=CCNCCCC1CCCCC1)C 34a_100000718196_100011713725 [0,1,0,1,0,0|2,0,0]=4 17979 B15R1.504 CC(=CCNCCCC1CCCCC1)C 34a_100011211642_100000761012 [0,1,0,1,0,0|2,0,0]=4 17980 B15R1.504 CC(=CCOCCCC1CCCCC1)C 34a_100000198086_100000761012 [0,1,0,1,0,0|2,0,0]=4 17981 B15R1.504 CC(=CCOCCCC1CCCCC1)C 34a_100000753907_100011713725 [0,1,0,1,0,0|2,0,0]=4 17982 B15R1.504 CC(=CCOCCCC1CCCCC1)C 7a_100000198086_100000761012 [0,1,0,1,0,0|2,0,0]=4 17983 B15R1.504 CC(=CCSCCCC1CCCCC1)C 62a_100000761012_100011713725 [0,1,0,1,0,0|2,0,0]=4 17984 B15R1.504 CC(=CCSCCCC1CCCCC1)C 62a_100011713725_100000761012 [0,1,0,1,0,0|2,0,0]=4 17985 B15R1.504 CC(=O)CCCCNCC1CCCCC1 34a_100000210473_100009817362 [0,1,0,1,0,0|1,0,0]=3 17986 B15R1.504 CC(=O)CCCCNCC1CCCCO1 34a_100000174945_100009817362 [0,1,0,1,0,0|2,0,0]=4 17987 B15R1.504 CC(=O)CCCCNCC1CCCOC1 34a_100000720124_100009817362 [0,1,0,1,0,0|2,0,0]=4 17988 B15R1.504 CC(=O)CCCCNCC1CCOCC1 34a_100000746373_100009817362 [0,1,0,1,0,0|2,0,0]=4 17989 B15R1.504 CC(=O)CCCCNCC1CCSCC1 34a_100015188806_100009817362 [0,1,0,1,0,0|2,0,0]=4 17990 B15R1.504 CC(=O)CCCCOCC1CCCCC1 34a_100000212181_100009817362 [0,1,0,1,0,0|1,0,0]=3 17991 B15R1.504 CC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000735457 [0,1,0,1,0,0|1,0,0]=3 17992 B15R1.504 CC(=O)CCCCOCC1CCCCN1 34a_100000210821_100009817362 [0,1,0,1,0,0|2,0,0]=4 17993 B15R1.504 CC(=O)CCCCOCC1CCCCO1 34a_100000211370_100009817362 [0,1,0,1,0,0|2,0,0]=4 17994 B15R1.504 CC(=O)CCCCOCC1CCCCO1 7a_100000211370_100000735457 [0,1,0,1,0,0|2,0,0]=4 17995 B15R1.504 CC(=O)CCCCOCC1CCCNC1 34a_100000211344_100009817362 [0,1,0,1,0,0|2,0,0]=4 17996 B15R1.504 CC(=O)CCCCOCC1CCCOC1 34a_100000741520_100009817362 [0,1,0,1,0,0|2,0,0]=4 17997 B15R1.504 CC(=O)CCCCOCC1CCNCC1 34a_100000738675_100009817362 [0,1,0,1,0,0|2,0,0]=4 17998 B15R1.504 CC(=O)CCCCOCC1CCOCC1 34a_100000749013_100009817362 [0,1,0,1,0,0|2,0,0]=4 17999 B15R1.504 CC(=O)CCCCOCC1CCSCC1 34a_100000070558_100009817362 [0,1,0,1,0,0|2,0,0]=4 18000 B15R1.504 CC(=O)CCCCOCC1CCSCC1 7a_100000070558_100000735457 [0,1,0,1,0,0|2,0,0]=4 18001 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000735457 [0,1,0,1,0,0|1,0,0]=3 18002 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000735457_100000211423 [0,1,0,1,0,0|1,0,0]=3 18003 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000211543_100000735457 [0,1,0,1,0,0|2,0,0]=4 18004 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000735457_100000211543 [0,1,0,1,0,0|2,0,0]=4 18005 B15R1.504 CC(=O)CCCCSCC1CCCOC1 62a_100000735457_100000741521 [0,1,0,1,0,0|2,0,0]=4 18006 B15R1.504 CC(=O)CCCCSCC1CCCOC1 62a_100000741521_100000735457 [0,1,0,1,0,0|2,0,0]=4 18007 B15R1.504 CC(=O)CCCCSCC1CCOCC1 62a_100000735457_100000749018 [0,1,0,1,0,0|2,0,0]=4 18008 B15R1.504 CC(=O)CCCCSCC1CCOCC1 62a_100000754603_100000735457 [0,1,0,1,0,0|2,0,0]=4 18009 B15R1.504 CC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000685027 [0,1,0,1,0,0|1,0,0]=3 18010 B15R1.504 CC(=O)CCCNCCC1CCCCO1 34a_100015183643_100000685027 [0,1,0,1,0,0|2,0,0]=4 18011 B15R1.504 CC(=O)CCCNCCC1CCOCC1 34a_100000755988_100000685027 [0,1,0,1,0,0|2,0,0]=4 18012 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100000759063_100011209188 [0,1,0,1,0,0|1,0,0]=3 18013 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000685027 [0,1,0,1,0,0|1,0,0]=3 18014 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100000759063_100011273959 [0,1,0,1,0,0|1,0,0]=3 18015 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011215641 [0,1,0,1,0,0|1,0,0]=3 18016 B15R1.504 CC(=O)CCCOCCC1CCCCN1 34a_100000211664_100000685027 [0,1,0,1,0,0|2,0,0]=4 18017 B15R1.504 CC(=O)CCCOCCC1CCCNC1 34a_100000752241_100000685027 [0,1,0,1,0,0|2,0,0]=4 18018 B15R1.504 CC(=O)CCCOCCC1CCNCC1 34a_100015190746_100000685027 [0,1,0,1,0,0|2,0,0]=4 18019 B15R1.504 CC(=O)CCCOCCC1CCOCC1 34a_100000759063_100011934994 [0,1,0,1,0,0|2,0,0]=4 18020 B15R1.504 CC(=O)CCCOCCC1CCOCC1 34a_100011933979_100000685027 [0,1,0,1,0,0|2,0,0]=4 18021 B15R1.504 CC(=O)CCCOCCC1CCOCC1 7a_100000759063_100011934994 [0,1,0,1,0,0|2,0,0]=4 18022 B15R1.504 CC(=O)CCCOCCC1CCOCC1 7a_100011933979_100011215641 [0,1,0,1,0,0|2,0,0]=4 18023 B15R1.504 CC(=O)CCCOCCN1CCCCC1 34a_100000759063_100000739454 [0,1,0,1,0,0|2,0,0]=4 18024 B15R1.504 CC(=O)CCCOCCN1CCCCC1 7a_100000759063_100000739454 [0,1,0,1,0,0|2,0,0]=4 18025 B15R1.504 CC(=O)CCCOCOC1CCCCC1 34a_100000759063_100011935260 [0,1,0,1,0,0|2,0,0]=4 18026 B15R1.504 CC(=O)CCCOCOC1CCCCC1 7a_100000759063_100011935260 [0,1,0,1,0,0|2,0,0]=4 18027 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100011215641_100012355289 [0,1,0,1,0,0|1,0,0]=3 18028 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100012355289_100011215641 [0,1,0,1,0,0|1,0,0]=3 18029 B15R1.504 CC(=O)CCCSCCC1CCOCC1 62a_100011215641_100011934994 [0,1,0,1,0,0|2,0,0]=4 18030 B15R1.504 CC(=O)CCCSCCC1CCOCC1 62a_100011934994_100011215641 [0,1,0,1,0,0|2,0,0]=4 18031 B15R1.504 CC(=O)CCCSCCN1CCCCC1 62a_100000739454_100011215641 [0,1,0,1,0,0|2,0,0]=4 18032 B15R1.504 CC(=O)CCCSCCN1CCCCC1 62a_100011215641_100000739454 [0,1,0,1,0,0|2,0,0]=4 18033 B15R1.504 CC(=O)CCCSCOC1CCCCC1 62a_100011215641_100011935260 [0,1,0,1,0,0|2,0,0]=4 18034 B15R1.504 CC(=O)CCCSCOC1CCCCC1 62a_100011935260_100011215641 [0,1,0,1,0,0|2,0,0]=4 18035 B15R1.504 CC(=O)CCOCCCC1CCCCC1 34a_100000759926_100011713725 [0,1,0,1,0,0|1,0,0]=3 18036 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000053229 [0,1,0,1,0,0|1,0,0]=3 18037 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000759926_100011713725 [0,1,0,1,0,0|1,0,0]=3 18038 B15R1.504 CC(=O)CCOCCCN1CCCCC1 34a_100000759926_100000690320 [0,1,0,1,0,0|2,0,0]=4 18039 B15R1.504 CC(=O)CCOCCCN1CCCCC1 7a_100000759926_100000007876 [0,1,0,1,0,0|2,0,0]=4 18040 B15R1.504 CC(=O)CCOCCOC1CCCCC1 34a_100000759926_100011211530 [0,1,0,1,0,0|2,0,0]=4 18041 B15R1.504 CC(=O)CCOCCOC1CCCCC1 7a_100000759926_100011211530 [0,1,0,1,0,0|2,0,0]=4 18042 B15R1.504 CC(=O)CCOCCOC1CCCCC1 7a_100011249652_100000053229 [0,1,0,1,0,0|2,0,0]=4 18043 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100000053229_100011713725 [0,1,0,1,0,0|1,0,0]=3 18044 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000053229 [0,1,0,1,0,0|1,0,0]=3 18045 B15R1.504 CC(=O)CCSCCCN1CCCCC1 62a_100000053229_100000007876 [0,1,0,1,0,0|2,0,0]=4 18046 B15R1.504 CC(=O)CCSCCCN1CCCCC1 62a_100132302099_100000053229 [0,1,0,1,0,0|2,0,0]=4 18047 B15R1.504 CC(=O)CCSCCOC1CCCCC1 62a_100000053229_100011211530 [0,1,0,1,0,0|2,0,0]=4 18048 B15R1.504 CC(=O)CCSCCOC1CCCCC1 62a_100011211530_100000053229 [0,1,0,1,0,0|2,0,0]=4 18049 B15R1.504 CC(=O)COCCCOC1CCCCO1 34a_100000211253_100000700653 [0,1,0,1,0,0|2,0,0]=4 18050 B15R1.504 CC(=O)NCCCCCN1CCCCC1 240690a_100000754421_100015343762 [0,1,0,1,0,0|1,0,0]=3 18051 B15R1.504 CC(=O)NCCCCCN1CCCCC1 527a_100000754421_100103153847 [0,1,0,1,0,0|1,0,0]=3 18052 B15R1.504 CC(=O)NCCCCCN1CCOCC1 240690a_100015187005_100015343762 [0,1,0,1,0,0|2,0,0]=4 18053 B15R1.504 CC(=O)NCCCCCN1CCOCC1 527a_100015187005_100103153847 [0,1,0,1,0,0|2,0,0]=4 18054 B15R1.504 CC(=O)NCCCCNC1CCCCC1 270004a_200011368371_100000210434 [0,1,0,1,0,0|1,0,0]=3 18055 B15R1.504 CC(=O)NCCCCNC1CCCCC1 34a_200011368371_100000210327 [0,1,0,1,0,0|1,0,0]=3 18056 B15R1.504 CC(=O)NCCCCNC1CCCOC1 270004a_200011368371_100000753404 [0,1,0,1,0,0|2,0,0]=4 18057 B15R1.504 CC(=O)NCCCCNC1CCCOC1 34a_200011368371_100000693364 [0,1,0,1,0,0|2,0,0]=4 18058 B15R1.504 CC(=O)NCCCCNC1CCCSC1 270004a_200011368371_100000057913 [0,1,0,1,0,0|2,0,0]=4 18059 B15R1.504 CC(=O)NCCCCNC1CCNCC1 270004a_200011368371_100015192401 [0,1,0,1,0,0|2,0,0]=4 18060 B15R1.504 CC(=O)NCCCCNC1CCOCC1 270004a_200011368371_100011217826 [0,1,0,1,0,0|2,0,0]=4 18061 B15R1.504 CC(=O)NCCCCNC1CCSCC1 270004a_200011368371_100000203788 [0,1,0,1,0,0|2,0,0]=4 18062 B15R1.504 CC(=O)NCCCCNC1CCSCC1 34a_200011368371_100000069128 [0,1,0,1,0,0|2,0,0]=4 18063 B15R1.504 CC(=O)NCCCNCC1CCCCC1 269862a_100000736810_100000211278 [0,1,0,1,0,0|1,0,0]=3 18064 B15R1.504 CC(=O)NCCCNCC1CCCCC1 34a_100000736810_100000211423 [0,1,0,1,0,0|1,0,0]=3 18065 B15R1.504 CC(=O)NCCCNCC1CCCCO1 34a_100000736810_100000211543 [0,1,0,1,0,0|2,0,0]=4 18066 B15R1.504 CC(=O)NCCCNCC1CCCOC1 34a_100000736810_100000741521 [0,1,0,1,0,0|2,0,0]=4 18067 B15R1.504 CC(=O)NCCCNCC1CCOCC1 269862a_100000736810_100000749017 [0,1,0,1,0,0|2,0,0]=4 18068 B15R1.504 CC(=O)NCCCNCC1CCOCC1 34a_100000736810_100000754603 [0,1,0,1,0,0|2,0,0]=4 18069 B15R1.504 CC(=O)NCCCNCC1CCSCC1 269862a_100000736810_100000067145 [0,1,0,1,0,0|2,0,0]=4 18070 B15R1.504 CC(=O)NCCCNCC1CCSCC1 270004a_100000736810_100000067145 [0,1,0,1,0,0|2,0,0]=4 18071 B15R1.504 CC(=O)NCCCOCC1CCCCC1 34a_100000752032_100000211423 [0,1,0,1,0,0|1,0,0]=3 18072 B15R1.504 CC(=O)NCCCOCC1CCCCO1 34a_100000752032_100000211543 [0,1,0,1,0,0|2,0,0]=4 18073 B15R1.504 CC(=O)NCCCOCC1CCCOC1 34a_100000752032_100000741521 [0,1,0,1,0,0|2,0,0]=4 18074 B15R1.504 CC(=O)NCCCOCC1CCOCC1 34a_100000752032_100000754603 [0,1,0,1,0,0|2,0,0]=4 18075 B15R1.504 CC(=O)NCCNCCC1CCCCC1 2230a_100000209853_100012355289 [0,1,0,1,0,0|1,0,0]=3 18076 B15R1.504 CC(=O)NCCNCCC1CCCCC1 2230a_100000738074_100000189650 [0,1,0,1,0,0|1,0,0]=3 18077 B15R1.504 CC(=O)NCCNCCC1CCCCO1 2230a_100015183643_100000189650 [0,1,0,1,0,0|2,0,0]=4 18078 B15R1.504 CC(=O)NCCNCCC1CCOCC1 2230a_100000209853_100011934994 [0,1,0,1,0,0|2,0,0]=4 18079 B15R1.504 CC(=O)NCCNCCC1CCOCC1 2230a_100000755988_100000189650 [0,1,0,1,0,0|2,0,0]=4 18080 B15R1.504 CC(=O)NCCNCCN1CCCCC1 2230a_100000209853_100000739454 [0,1,0,1,0,0|2,0,0]=4 18081 B15R1.504 CC(=O)NCCNCOC1CCCCC1 2230a_100000209853_100011935260 [0,1,0,1,0,0|2,0,0]=4 18082 B15R1.504 CC(=O)NCCOCCC1CCCCC1 34a_100000158858_100011209188 [0,1,0,1,0,0|1,0,0]=3 18083 B15R1.504 CC(=O)NCCOCCC1CCCCC1 7a_100011217863_100000189650 [0,1,0,1,0,0|1,0,0]=3 18084 B15R1.504 CC(=O)NCCOCCC1CCOCC1 34a_100000158858_100011934994 [0,1,0,1,0,0|2,0,0]=4 18085 B15R1.504 CC(=O)NCCOCCC1CCOCC1 7a_100011933979_100000189650 [0,1,0,1,0,0|2,0,0]=4 18086 B15R1.504 CC(=O)NCCOCCN1CCCCC1 240690a_100011651313_100015343762 [0,1,0,1,0,0|2,0,0]=4 18087 B15R1.504 CC(=O)NCCOCCN1CCCCC1 34a_100000158858_100000739454 [0,1,0,1,0,0|2,0,0]=4 18088 B15R1.504 CC(=O)NCCOCOC1CCCCC1 34a_100000158858_100011935260 [0,1,0,1,0,0|2,0,0]=4 18089 B15R1.504 CC(=O)NCCSCCC1CCCCC1 62a_100000189650_100012355289 [0,1,0,1,0,0|1,0,0]=3 18090 B15R1.504 CC(=O)NCCSCCC1CCCCC1 62a_100012355289_100000189650 [0,1,0,1,0,0|1,0,0]=3 18091 B15R1.504 CC(=O)NCCSCCC1CCOCC1 62a_100000189650_100011934994 [0,1,0,1,0,0|2,0,0]=4 18092 B15R1.504 CC(=O)NCCSCCC1CCOCC1 62a_100011934994_100000189650 [0,1,0,1,0,0|2,0,0]=4 18093 B15R1.504 CC(=O)NCCSCCN1CCCCC1 62a_100000189650_100000739454 [0,1,0,1,0,0|2,0,0]=4 18094 B15R1.504 CC(=O)NCCSCCN1CCCCC1 62a_100000739454_100000189650 [0,1,0,1,0,0|2,0,0]=4 18095 B15R1.504 CC(=O)NCCSCOC1CCCCC1 62a_100000189650_100011935260 [0,1,0,1,0,0|2,0,0]=4 18096 B15R1.504 CC(=O)NCCSCOC1CCCCC1 62a_100011935260_100000189650 [0,1,0,1,0,0|2,0,0]=4 18097 B15R1.504 CC(=O)OCCCCCN1CC=CCC1 2230a_100000698166_100009813381 [0,1,0,1,0,0|0,0,2]=4 18098 B15R1.504 CC(=O)OCCCCCN1CC=CCC1 269982a_100000698166_100000033007 [0,1,0,1,0,0|0,0,2]=4 18099 B15R1.504 CC(=O)OCCCCCN1CC=CCC1 34a_100000698166_100000033007 [0,1,0,1,0,0|0,0,2]=4 18100 B15R1.504 CC(=O)OCCCCCN1CCCOC1 2230a_100000131196_100009813381 [0,1,0,1,0,0|1,0,0]=3 18101 B15R1.504 CC(=O)OCCCCCN1CCCOC1 269982a_100000131196_100000033007 [0,1,0,1,0,0|1,0,0]=3 18102 B15R1.504 CC(=O)OCCCCCN1CCCOC1 34a_100000131196_100000033007 [0,1,0,1,0,0|1,0,0]=3 18103 B15R1.504 CC(=O)OCCCCCN1CCOCC1 2230a_100015191051_100009813381 [0,1,0,1,0,0|1,0,0]=3 18104 B15R1.504 CC(=O)OCCCCCN1CCOCC1 269982a_100015191051_100000033007 [0,1,0,1,0,0|1,0,0]=3 18105 B15R1.504 CC(=O)OCCCCCN1CCOCC1 34a_100015191051_100000033007 [0,1,0,1,0,0|1,0,0]=3 18106 B15R1.504 CC(=O)OCCCCCN1CCSCC1 2230a_100000737611_100009813381 [0,1,0,1,0,0|1,0,0]=3 18107 B15R1.504 CC(=O)OCCCCCN1CCSCC1 269982a_100000737611_100000033007 [0,1,0,1,0,0|1,0,0]=3 18108 B15R1.504 CC(=O)OCCCCNC1CCCCC1 34a_100000182618_100000033659 [0,1,0,1,0,0|0,0,0]=2 18109 B15R1.504 CC(=O)OCCCCNC1CCCOC1 34a_100000719290_100000033659 [0,1,0,1,0,0|1,0,0]=3 18110 B15R1.504 CC(=O)OCCCCNC1CCOCC1 34a_100000741149_100000033659 [0,1,0,1,0,0|1,0,0]=3 18111 B15R1.504 CC(=O)OCCCCNC1CCSCC1 34a_100000748639_100000033659 [0,1,0,1,0,0|1,0,0]=3 18112 B15R1.504 CC(=O)OCCCCOC1C=CCCC1 34a_100011215024_100000033659 [0,1,0,1,0,0|0,0,2]=4 18113 B15R1.504 CC(=O)OCCCCOC1C=CCCC1 7a_100000073216_100000751183 [0,1,0,1,0,0|0,0,2]=4 18114 B15R1.504 CC(=O)OCCCCOC1CC=CCC1 34a_100000073881_100000033659 [0,1,0,1,0,0|0,0,2]=4 18115 B15R1.504 CC(=O)OCCCCOC1CCCCC1 34a_100000073216_100000210327 [0,1,0,1,0,0|0,0,0]=2 18116 B15R1.504 CC(=O)OCCCCOC1CCCCC1 34a_100000210231_100000033659 [0,1,0,1,0,0|0,0,0]=2 18117 B15R1.504 CC(=O)OCCCCOC1CCCCC1 7a_100000073216_100000210327 [0,1,0,1,0,0|0,0,0]=2 18118 B15R1.504 CC(=O)OCCCCOC1CCCCC1 7a_100000210231_100000033659 [0,1,0,1,0,0|0,0,0]=2 18119 B15R1.504 CC(=O)OCCCCOC1CCCCO1 34a_100000033831_100000033659 [0,1,0,1,0,0|1,0,0]=3 18120 B15R1.504 CC(=O)OCCCCOC1CCCOC1 34a_100000073216_100000693364 [0,1,0,1,0,0|1,0,0]=3 18121 B15R1.504 CC(=O)OCCCCOC1CCCOC1 34a_100000754041_100000033659 [0,1,0,1,0,0|1,0,0]=3 18122 B15R1.504 CC(=O)OCCCCOC1CCCOC1 7a_100000073216_100000693364 [0,1,0,1,0,0|1,0,0]=3 18123 B15R1.504 CC(=O)OCCCCOC1CCCSC1 7a_100015962668_100000033659 [0,1,0,1,0,0|1,0,0]=3 18124 B15R1.504 CC(=O)OCCCCOC1CCOCC1 34a_100000744328_100000033659 [0,1,0,1,0,0|1,0,0]=3 18125 B15R1.504 CC(=O)OCCCCOC1CCOCC1 7a_100000073216_100000686592 [0,1,0,1,0,0|1,0,0]=3 18126 B15R1.504 CC(=O)OCCCCOC1CCSCC1 34a_100000073216_100000069128 [0,1,0,1,0,0|1,0,0]=3 18127 B15R1.504 CC(=O)OCCCCOC1CCSCC1 34a_100000731022_100000033659 [0,1,0,1,0,0|1,0,0]=3 18128 B15R1.504 CC(=O)OCCCCOC1CCSCC1 7a_100000073216_100011500858 [0,1,0,1,0,0|1,0,0]=3 18129 B15R1.504 CC(=O)OCCCCOC1CCSCC1 7a_100000731022_100000033659 [0,1,0,1,0,0|1,0,0]=3 18130 B15R1.504 CC(=O)OCCCCSC1C=CCCC1 62a_100000033659_100000751183 [0,1,0,1,0,0|0,0,2]=4 18131 B15R1.504 CC(=O)OCCCCSC1C=CCCC1 62a_100000751183_100000033659 [0,1,0,1,0,0|0,0,2]=4 18132 B15R1.504 CC(=O)OCCCCSC1CCCCC1 62a_100000033659_100000210327 [0,1,0,1,0,0|0,0,0]=2 18133 B15R1.504 CC(=O)OCCCCSC1CCCCC1 62a_100000210327_100000033659 [0,1,0,1,0,0|0,0,0]=2 18134 B15R1.504 CC(=O)OCCCCSC1CCCOC1 62a_100000033659_100000693364 [0,1,0,1,0,0|1,0,0]=3 18135 B15R1.504 CC(=O)OCCCCSC1CCOCC1 62a_100000033659_100011324220 [0,1,0,1,0,0|1,0,0]=3 18136 B15R1.504 CC(=O)OCCCCSC1CCSCC1 62a_100000033659_100000069128 [0,1,0,1,0,0|1,0,0]=3 18137 B15R1.504 CC(=O)OCCCNCC1CCCCC1 34a_100000210473_100000042594 [0,1,0,1,0,0|0,0,0]=2 18138 B15R1.504 CC(=O)OCCCNCC1CCCCO1 34a_100000174945_100000042594 [0,1,0,1,0,0|1,0,0]=3 18139 B15R1.504 CC(=O)OCCCNCC1CCCOC1 34a_100000720124_100000042594 [0,1,0,1,0,0|1,0,0]=3 18140 B15R1.504 CC(=O)OCCCNCC1CCOCC1 34a_100000746373_100000042594 [0,1,0,1,0,0|1,0,0]=3 18141 B15R1.504 CC(=O)OCCCNCC1CCSCC1 34a_100015188806_100000042594 [0,1,0,1,0,0|1,0,0]=3 18142 B15R1.504 CC(=O)OCCCNC[C@H]1COCCO1 34a_100010981119_100000042594 [0,1,0,1,0,0|2,0,0]=4 18143 B15R1.504 CC(=O)OCCCOCC1CC=CCC1 34a_100000210713_100000042594 [0,1,0,1,0,0|0,0,2]=4 18144 B15R1.504 CC(=O)OCCCOCC1CCCCC1 34a_100000212181_100000042594 [0,1,0,1,0,0|0,0,0]=2 18145 B15R1.504 CC(=O)OCCCOCC1CCCCC1 7a_100000212181_100000042594 [0,1,0,1,0,0|0,0,0]=2 18146 B15R1.504 CC(=O)OCCCOCC1CCCCN1 34a_100000210821_100000042594 [0,1,0,1,0,0|1,0,0]=3 18147 B15R1.504 CC(=O)OCCCOCC1CCCCO1 34a_100000211370_100000042594 [0,1,0,1,0,0|1,0,0]=3 18148 B15R1.504 CC(=O)OCCCOCC1CCCCO1 7a_100000211370_100000042594 [0,1,0,1,0,0|1,0,0]=3 18149 B15R1.504 CC(=O)OCCCOCC1CCCNC1 34a_100000211344_100000042594 [0,1,0,1,0,0|1,0,0]=3 18150 B15R1.504 CC(=O)OCCCOCC1CCCOC1 34a_100000741520_100000042594 [0,1,0,1,0,0|1,0,0]=3 18151 B15R1.504 CC(=O)OCCCOCC1CCNCC1 34a_100000738675_100000042594 [0,1,0,1,0,0|1,0,0]=3 18152 B15R1.504 CC(=O)OCCCOCC1CCOCC1 34a_100000749013_100000042594 [0,1,0,1,0,0|1,0,0]=3 18153 B15R1.504 CC(=O)OCCCOCC1CCSCC1 34a_100000070558_100000042594 [0,1,0,1,0,0|1,0,0]=3 18154 B15R1.504 CC(=O)OCCCOCC1CCSCC1 7a_100000070558_100000042594 [0,1,0,1,0,0|1,0,0]=3 18155 B15R1.504 CC(=O)OCCCOC[C@@H]1CNCCO1 34a_100015189573_100000042594 [0,1,0,1,0,0|2,0,0]=4 18156 B15R1.504 CC(=O)OCCCOC[C@@H]1COCCN1 34a_100000717676_100000042594 [0,1,0,1,0,0|2,0,0]=4 18157 B15R1.504 CC(=O)OCCCOC[C@H]1COCCO1 34a_100009875890_100000042594 [0,1,0,1,0,0|2,0,0]=4 18158 B15R1.504 CC(=O)OCCCSCC1CCCCC1 62a_100000042594_100000211423 [0,1,0,1,0,0|0,0,0]=2 18159 B15R1.504 CC(=O)OCCCSCC1CCCCC1 62a_100000211423_100000042594 [0,1,0,1,0,0|0,0,0]=2 18160 B15R1.504 CC(=O)OCCCSCC1CCCCO1 62a_100000042594_100000211543 [0,1,0,1,0,0|1,0,0]=3 18161 B15R1.504 CC(=O)OCCCSCC1CCCCO1 62a_100000211543_100000042594 [0,1,0,1,0,0|1,0,0]=3 18162 B15R1.504 CC(=O)OCCCSCC1CCCOC1 62a_100000042594_100000741521 [0,1,0,1,0,0|1,0,0]=3 18163 B15R1.504 CC(=O)OCCCSCC1CCCOC1 62a_100000741521_100000042594 [0,1,0,1,0,0|1,0,0]=3 18164 B15R1.504 CC(=O)OCCCSCC1CCOCC1 62a_100000042594_100000749018 [0,1,0,1,0,0|1,0,0]=3 18165 B15R1.504 CC(=O)OCCCSCC1CCOCC1 62a_100000754603_100000042594 [0,1,0,1,0,0|1,0,0]=3 18166 B15R1.504 CC(=O)OCCNCCC1=CCCCC1 34a_100000212019_100009814007 [0,1,0,1,0,0|0,0,2]=4 18167 B15R1.504 CC(=O)OCCNCCC1CCCCC1 34a_100000738074_100009814007 [0,1,0,1,0,0|0,0,0]=2 18168 B15R1.504 CC(=O)OCCNCCC1CCCCO1 34a_100015183643_100009814007 [0,1,0,1,0,0|1,0,0]=3 18169 B15R1.504 CC(=O)OCCNCCC1CCOCC1 34a_100000755988_100009814007 [0,1,0,1,0,0|1,0,0]=3 18170 B15R1.504 CC(=O)OCCOCCC1CCCCC1 34a_100011217863_100009814007 [0,1,0,1,0,0|0,0,0]=2 18171 B15R1.504 CC(=O)OCCOCCC1CCCCC1 7a_100011217863_100009814007 [0,1,0,1,0,0|0,0,0]=2 18172 B15R1.504 CC(=O)OCCOCCC1CCCCN1 34a_100000211664_100009814007 [0,1,0,1,0,0|1,0,0]=3 18173 B15R1.504 CC(=O)OCCOCCC1CCCNC1 34a_100000752241_100009814007 [0,1,0,1,0,0|1,0,0]=3 18174 B15R1.504 CC(=O)OCCOCCC1CCNCC1 34a_100015190746_100009814007 [0,1,0,1,0,0|1,0,0]=3 18175 B15R1.504 CC(=O)OCCOCCC1CCOCC1 34a_100011933979_100009814007 [0,1,0,1,0,0|1,0,0]=3 18176 B15R1.504 CC(=O)OCCOCCC1CCOCC1 7a_100011933979_100009814007 [0,1,0,1,0,0|1,0,0]=3 18177 B15R1.504 CC(=O)OCCOCCC1SCCCS1 34a_200011025297_100009814007 [0,1,0,1,0,0|2,0,0]=4 18178 B15R1.504 CC(=O)OCCOCCC1SCCCS1 7a_200011025297_100009814007 [0,1,0,1,0,0|2,0,0]=4 18179 B15R1.504 CC(=O)OCCOCCN1CCCOC1 2230a_100000131196_200000083610 [0,1,0,1,0,0|2,0,0]=4 18180 B15R1.504 CC(=O)OCCOCCN1CCCOC1 269982a_100000131196_200000083610 [0,1,0,1,0,0|2,0,0]=4 18181 B15R1.504 CC(=O)OCCOCCN1CCCOC1 34a_100000131196_200000083610 [0,1,0,1,0,0|2,0,0]=4 18182 B15R1.504 CC(=O)OCCOCCN1CCOCC1 2230a_100015191051_200000083610 [0,1,0,1,0,0|2,0,0]=4 18183 B15R1.504 CC(=O)OCCOCCN1CCOCC1 269982a_100015191051_200000083610 [0,1,0,1,0,0|2,0,0]=4 18184 B15R1.504 CC(=O)OCCOCCN1CCOCC1 34a_100015191051_200000083610 [0,1,0,1,0,0|2,0,0]=4 18185 B15R1.504 CC(=O)OCCOCCN1CCSCC1 2230a_100000737611_200000083610 [0,1,0,1,0,0|2,0,0]=4 18186 B15R1.504 CC(=O)OCCOCCN1CCSCC1 269982a_100000737611_200000083610 [0,1,0,1,0,0|2,0,0]=4 18187 B15R1.504 CC(=O)OCCOCCN1CCSCC1 7a_100000686052_100009814007 [0,1,0,1,0,0|2,0,0]=4 18188 B15R1.504 CC(=O)OCCOCC[C@@H]1CNCCN1 34a_100016989929_100009814007 [0,1,0,1,0,0|2,0,0]=4 18189 B15R1.504 CC(=O)OCCOCNC1CCCCC1 34a_100000182618_100000076355 [0,1,0,1,0,0|1,0,0]=3 18190 B15R1.504 CC(=O)OCCOCNC1CCCOC1 34a_100000719290_100000076355 [0,1,0,1,0,0|2,0,0]=4 18191 B15R1.504 CC(=O)OCCOCNC1CCOCC1 34a_100000741149_100000076355 [0,1,0,1,0,0|2,0,0]=4 18192 B15R1.504 CC(=O)OCCOCNC1CCSCC1 34a_100000748639_100000076355 [0,1,0,1,0,0|2,0,0]=4 18193 B15R1.504 CC(=O)OCCOCOC1CCCCC1 34a_100000210231_100000076355 [0,1,0,1,0,0|1,0,0]=3 18194 B15R1.504 CC(=O)OCCOCOC1CCCCO1 34a_100000033831_100000076355 [0,1,0,1,0,0|2,0,0]=4 18195 B15R1.504 CC(=O)OCCOCOC1CCCOC1 34a_100000754041_100000076355 [0,1,0,1,0,0|2,0,0]=4 18196 B15R1.504 CC(=O)OCCOCOC1CCOCC1 34a_100000744328_100000076355 [0,1,0,1,0,0|2,0,0]=4 18197 B15R1.504 CC(=O)OCCOCOC1CCSCC1 34a_100000731022_100000076355 [0,1,0,1,0,0|2,0,0]=4 18198 B15R1.504 CC(=O)OCCOCSC1CCCCC1 62a_100000076355_100000210327 [0,1,0,1,0,0|1,0,0]=3 18199 B15R1.504 CC(=O)OCCOCSC1CCCCC1 62a_100000210327_100000076355 [0,1,0,1,0,0|1,0,0]=3 18200 B15R1.504 CC(=O)OCCOCSC1CCCOC1 62a_100000076355_100000693364 [0,1,0,1,0,0|2,0,0]=4 18201 B15R1.504 CC(=O)OCCOCSC1CCOCC1 62a_100000076355_100011324220 [0,1,0,1,0,0|2,0,0]=4 18202 B15R1.504 CC(=O)OCCOCSC1CCSCC1 62a_100000076355_100000069128 [0,1,0,1,0,0|2,0,0]=4 18203 B15R1.504 CC(=O)OCCSCCC1CCCCC1 62a_100009814007_100012355289 [0,1,0,1,0,0|0,0,0]=2 18204 B15R1.504 CC(=O)OCCSCCC1CCCCC1 62a_100012355289_100009814007 [0,1,0,1,0,0|0,0,0]=2 18205 B15R1.504 CC(=O)OCCSCCC1CCOCC1 62a_100009814007_100011934994 [0,1,0,1,0,0|1,0,0]=3 18206 B15R1.504 CC(=O)OCCSCCC1CCOCC1 62a_100011934994_100009814007 [0,1,0,1,0,0|1,0,0]=3 18207 B15R1.504 CC(=O)OCCSCCC1OCCCO1 62a_100000764188_100009814007 [0,1,0,1,0,0|2,0,0]=4 18208 B15R1.504 CC(=O)OCCSCCC1OCCCO1 62a_100009814007_100000764188 [0,1,0,1,0,0|2,0,0]=4 18209 B15R1.504 CC(=O)OCCSCCN1CCCCC1 62a_100000739454_100009814007 [0,1,0,1,0,0|1,0,0]=3 18210 B15R1.504 CC(=O)OCCSCCN1CCCCC1 62a_100009814007_100000739454 [0,1,0,1,0,0|1,0,0]=3 18211 B15R1.504 CC(=O)OCCSCCN1CCOCC1 62a_100009814007_100000211760 [0,1,0,1,0,0|2,0,0]=4 18212 B15R1.504 CC(=O)OCCSCOC1CCCCC1 62a_100009814007_100011935260 [0,1,0,1,0,0|1,0,0]=3 18213 B15R1.504 CC(=O)OCCSCOC1CCCCC1 62a_100011935260_100009814007 [0,1,0,1,0,0|1,0,0]=3 18214 B15R1.504 CC(=O)OCNCCCC1CCCCC1 34a_100011211642_100009813279 [0,1,0,1,0,0|0,0,0]=2 18215 B15R1.504 CC(=O)OCNCCOC1CCCCC1 34a_100015206981_100009813279 [0,1,0,1,0,0|1,0,0]=3 18216 B15R1.504 CC(=O)OCOCCCC1CCCCC1 34a_100000198086_100009813279 [0,1,0,1,0,0|0,0,0]=2 18217 B15R1.504 CC(=O)OCOCCCC1CCCCN1 34a_100011934581_100009813279 [0,1,0,1,0,0|1,0,0]=3 18218 B15R1.504 CC(=O)OCOCCCC1CCCNC1 34a_100150707839_100009813279 [0,1,0,1,0,0|1,0,0]=3 18219 B15R1.504 CC(=O)OCOCCCC1CCNCC1 34a_100016988962_100009813279 [0,1,0,1,0,0|1,0,0]=3 18220 B15R1.504 CC(=O)OCOCCCN1CCCCC1 34a_100000212458_100009813279 [0,1,0,1,0,0|1,0,0]=3 18221 B15R1.504 CC(=O)OCOCCCN1CCOCC1 34a_100000212840_100009813279 [0,1,0,1,0,0|2,0,0]=4 18222 B15R1.504 CC(=O)OCOCCNC1CCCCC1 34a_100000200466_100009813279 [0,1,0,1,0,0|1,0,0]=3 18223 B15R1.504 CC(=O)OCOCCNC1CCOCC1 34a_100000708129_100009813279 [0,1,0,1,0,0|2,0,0]=4 18224 B15R1.504 CC(=O)OCOCCOC1CCCCC1 34a_100011249652_100009813279 [0,1,0,1,0,0|1,0,0]=3 18225 B15R1.504 CC(=O)OCOCCOC1CCCCO1 34a_100000034223_100009813279 [0,1,0,1,0,0|2,0,0]=4 18226 B15R1.504 CC(=O)OCSCCCC1CCCCC1 62a_100000076356_100011713725 [0,1,0,1,0,0|0,0,0]=2 18227 B15R1.504 CC(=O)OCSCCCC1CCCCC1 62a_100011713725_100000076356 [0,1,0,1,0,0|0,0,0]=2 18228 B15R1.504 CC(=O)OCSCCCN1CCCCC1 62a_100000076356_100000007876 [0,1,0,1,0,0|1,0,0]=3 18229 B15R1.504 CC(=O)OCSCCCN1CCCCC1 62a_100132302099_100000076356 [0,1,0,1,0,0|1,0,0]=3 18230 B15R1.504 CC(=O)OCSCCCN1CCOCC1 62a_100000076356_100000748698 [0,1,0,1,0,0|2,0,0]=4 18231 B15R1.504 CC(=O)OCSCCOC1CCCCC1 62a_100000076356_100011211530 [0,1,0,1,0,0|1,0,0]=3 18232 B15R1.504 CC(=O)OCSCCOC1CCCCC1 62a_100011211530_100000076356 [0,1,0,1,0,0|1,0,0]=3 18233 B15R1.504 CC(=O)OCSCCOC1CCCCO1 62a_100000076356_100000744793 [0,1,0,1,0,0|2,0,0]=4 18234 B15R1.504 CC(=O)OCSCCOC1CCCCO1 62a_100000744793_100000076356 [0,1,0,1,0,0|2,0,0]=4 18235 B15R1.504 CC(=O)SCCCCNC1CCCCC1 2230a_100000182618_200010402107 [0,1,0,1,0,0|0,1,0]=3 18236 B15R1.504 CC(=O)SCCCCNC1CCCCC1 34a_100000182618_200010402107 [0,1,0,1,0,0|0,1,0]=3 18237 B15R1.504 CC(=O)SCCCCNC1CCCOC1 2230a_100000719290_200010402107 [0,1,0,1,0,0|1,1,0]=4 18238 B15R1.504 CC(=O)SCCCCNC1CCCOC1 34a_100000719290_200010402107 [0,1,0,1,0,0|1,1,0]=4 18239 B15R1.504 CC(=O)SCCCCNC1CCOCC1 2230a_100000741149_200010402107 [0,1,0,1,0,0|1,1,0]=4 18240 B15R1.504 CC(=O)SCCCCNC1CCOCC1 34a_100000741149_200010402107 [0,1,0,1,0,0|1,1,0]=4 18241 B15R1.504 CC(=O)SCCCCNC1CCSCC1 2230a_100000748639_200010402107 [0,1,0,1,0,0|1,1,0]=4 18242 B15R1.504 CC(=O)SCCCCNC1CCSCC1 34a_100000748639_200010402107 [0,1,0,1,0,0|1,1,0]=4 18243 B15R1.504 CC(=O)SCCCCOC1CCCCC1 34a_100000210231_200010402107 [0,1,0,1,0,0|0,1,0]=3 18244 B15R1.504 CC(=O)SCCCCOC1CCCCC1 7a_100000210231_200010402107 [0,1,0,1,0,0|0,1,0]=3 18245 B15R1.504 CC(=O)SCCCCOC1CCCCO1 34a_100000033831_200010402107 [0,1,0,1,0,0|1,1,0]=4 18246 B15R1.504 CC(=O)SCCCCOC1CCCOC1 34a_100000754041_200010402107 [0,1,0,1,0,0|1,1,0]=4 18247 B15R1.504 CC(=O)SCCCCOC1CCCSC1 7a_100015962668_200010402107 [0,1,0,1,0,0|1,1,0]=4 18248 B15R1.504 CC(=O)SCCCCOC1CCOCC1 34a_100000744328_200010402107 [0,1,0,1,0,0|1,1,0]=4 18249 B15R1.504 CC(=O)SCCCCOC1CCSCC1 34a_100000731022_200010402107 [0,1,0,1,0,0|1,1,0]=4 18250 B15R1.504 CC(=O)SCCCCOC1CCSCC1 7a_100000731022_200010402107 [0,1,0,1,0,0|1,1,0]=4 18251 B15R1.504 CC(=O)SCCCCSC1CCCCC1 62a_100000210327_200010402107 [0,1,0,1,0,0|0,1,0]=3 18252 B15R1.504 CC(=O)SCCCCSC1CCCCC1 62a_200010402107_100000210327 [0,1,0,1,0,0|0,1,0]=3 18253 B15R1.504 CC(=O)SCCCCSC1CCCOC1 62a_200010402107_100000693364 [0,1,0,1,0,0|1,1,0]=4 18254 B15R1.504 CC(=O)SCCCCSC1CCOCC1 62a_200010402107_100011324220 [0,1,0,1,0,0|1,1,0]=4 18255 B15R1.504 CC(=O)SCCCCSC1CCSCC1 62a_200010402107_100000069128 [0,1,0,1,0,0|1,1,0]=4 18256 B15R1.504 CC(=O)SCCCNCC1CCCCC1 2230a_100000210473_100000038929 [0,1,0,1,0,0|0,1,0]=3 18257 B15R1.504 CC(=O)SCCCNCC1CCCCC1 34a_100000210473_100000038929 [0,1,0,1,0,0|0,1,0]=3 18258 B15R1.504 CC(=O)SCCCNCC1CCCCO1 2230a_100000174945_100000038929 [0,1,0,1,0,0|1,1,0]=4 18259 B15R1.504 CC(=O)SCCCNCC1CCCCO1 34a_100000174945_100000038929 [0,1,0,1,0,0|1,1,0]=4 18260 B15R1.504 CC(=O)SCCCNCC1CCCOC1 2230a_100000720124_100000038929 [0,1,0,1,0,0|1,1,0]=4 18261 B15R1.504 CC(=O)SCCCNCC1CCCOC1 34a_100000720124_100000038929 [0,1,0,1,0,0|1,1,0]=4 18262 B15R1.504 CC(=O)SCCCNCC1CCOCC1 2230a_100000746373_100000038929 [0,1,0,1,0,0|1,1,0]=4 18263 B15R1.504 CC(=O)SCCCNCC1CCOCC1 34a_100000746373_100000038929 [0,1,0,1,0,0|1,1,0]=4 18264 B15R1.504 CC(=O)SCCCNCC1CCSCC1 2230a_100015188806_100000038929 [0,1,0,1,0,0|1,1,0]=4 18265 B15R1.504 CC(=O)SCCCNCC1CCSCC1 34a_100015188806_100000038929 [0,1,0,1,0,0|1,1,0]=4 18266 B15R1.504 CC(=O)SCCCOCC1CCCCC1 34a_100000212181_100000038929 [0,1,0,1,0,0|0,1,0]=3 18267 B15R1.504 CC(=O)SCCCOCC1CCCCC1 7a_100000212181_100000038929 [0,1,0,1,0,0|0,1,0]=3 18268 B15R1.504 CC(=O)SCCCOCC1CCCCN1 34a_100000210821_100000038929 [0,1,0,1,0,0|1,1,0]=4 18269 B15R1.504 CC(=O)SCCCOCC1CCCCO1 34a_100000211370_100000038929 [0,1,0,1,0,0|1,1,0]=4 18270 B15R1.504 CC(=O)SCCCOCC1CCCCO1 7a_100000211370_100000038929 [0,1,0,1,0,0|1,1,0]=4 18271 B15R1.504 CC(=O)SCCCOCC1CCCNC1 34a_100000211344_100000038929 [0,1,0,1,0,0|1,1,0]=4 18272 B15R1.504 CC(=O)SCCCOCC1CCCOC1 34a_100000741520_100000038929 [0,1,0,1,0,0|1,1,0]=4 18273 B15R1.504 CC(=O)SCCCOCC1CCNCC1 34a_100000738675_100000038929 [0,1,0,1,0,0|1,1,0]=4 18274 B15R1.504 CC(=O)SCCCOCC1CCOCC1 34a_100000749013_100000038929 [0,1,0,1,0,0|1,1,0]=4 18275 B15R1.504 CC(=O)SCCCOCC1CCSCC1 34a_100000070558_100000038929 [0,1,0,1,0,0|1,1,0]=4 18276 B15R1.504 CC(=O)SCCCOCC1CCSCC1 7a_100000070558_100000038929 [0,1,0,1,0,0|1,1,0]=4 18277 B15R1.504 CC(=O)SCCCSCC1CCCCC1 62a_100000038929_100000211423 [0,1,0,1,0,0|0,1,0]=3 18278 B15R1.504 CC(=O)SCCCSCC1CCCCC1 62a_100000211423_100000038929 [0,1,0,1,0,0|0,1,0]=3 18279 B15R1.504 CC(=O)SCCCSCC1CCCCO1 62a_100000038929_100000211543 [0,1,0,1,0,0|1,1,0]=4 18280 B15R1.504 CC(=O)SCCCSCC1CCCCO1 62a_100000211543_100000038929 [0,1,0,1,0,0|1,1,0]=4 18281 B15R1.504 CC(=O)SCCCSCC1CCCOC1 62a_100000038929_100000741521 [0,1,0,1,0,0|1,1,0]=4 18282 B15R1.504 CC(=O)SCCCSCC1CCCOC1 62a_100000741521_100000038929 [0,1,0,1,0,0|1,1,0]=4 18283 B15R1.504 CC(=O)SCCCSCC1CCOCC1 62a_100000038929_100000749018 [0,1,0,1,0,0|1,1,0]=4 18284 B15R1.504 CC(=O)SCCCSCC1CCOCC1 62a_100000754603_100000038929 [0,1,0,1,0,0|1,1,0]=4 18285 B15R1.504 CC(=S)OCCCNCC1CCCCC1 2230a_100000210473_200135323944 [0,1,0,1,0,0|0,1,0]=3 18286 B15R1.504 CC(=S)OCCCNCC1CCCCC1 34a_100000210473_200135323944 [0,1,0,1,0,0|0,1,0]=3 18287 B15R1.504 CC(=S)OCCCNCC1CCCCO1 2230a_100000174945_200135323944 [0,1,0,1,0,0|1,1,0]=4 18288 B15R1.504 CC(=S)OCCCNCC1CCCCO1 34a_100000174945_200135323944 [0,1,0,1,0,0|1,1,0]=4 18289 B15R1.504 CC(=S)OCCCNCC1CCCOC1 2230a_100000720124_200135323944 [0,1,0,1,0,0|1,1,0]=4 18290 B15R1.504 CC(=S)OCCCNCC1CCCOC1 34a_100000720124_200135323944 [0,1,0,1,0,0|1,1,0]=4 18291 B15R1.504 CC(=S)OCCCNCC1CCOCC1 2230a_100000746373_200135323944 [0,1,0,1,0,0|1,1,0]=4 18292 B15R1.504 CC(=S)OCCCNCC1CCOCC1 34a_100000746373_200135323944 [0,1,0,1,0,0|1,1,0]=4 18293 B15R1.504 CC(=S)OCCCNCC1CCSCC1 2230a_100015188806_200135323944 [0,1,0,1,0,0|1,1,0]=4 18294 B15R1.504 CC(=S)OCCCNCC1CCSCC1 34a_100015188806_200135323944 [0,1,0,1,0,0|1,1,0]=4 18295 B15R1.504 CC(=S)OCCCOCC1CCCCC1 34a_100000212181_200135323944 [0,1,0,1,0,0|0,1,0]=3 18296 B15R1.504 CC(=S)OCCCOCC1CCCCC1 7a_100000212181_200135323944 [0,1,0,1,0,0|0,1,0]=3 18297 B15R1.504 CC(=S)OCCCOCC1CCCCN1 34a_100000210821_200135323944 [0,1,0,1,0,0|1,1,0]=4 18298 B15R1.504 CC(=S)OCCCOCC1CCCCO1 34a_100000211370_200135323944 [0,1,0,1,0,0|1,1,0]=4 18299 B15R1.504 CC(=S)OCCCOCC1CCCCO1 7a_100000211370_200135323944 [0,1,0,1,0,0|1,1,0]=4 18300 B15R1.504 CC(=S)OCCCOCC1CCCNC1 34a_100000211344_200135323944 [0,1,0,1,0,0|1,1,0]=4 18301 B15R1.504 CC(=S)OCCCOCC1CCCOC1 34a_100000741520_200135323944 [0,1,0,1,0,0|1,1,0]=4 18302 B15R1.504 CC(=S)OCCCOCC1CCNCC1 34a_100000738675_200135323944 [0,1,0,1,0,0|1,1,0]=4 18303 B15R1.504 CC(=S)OCCCOCC1CCOCC1 34a_100000749013_200135323944 [0,1,0,1,0,0|1,1,0]=4 18304 B15R1.504 CC(=S)OCCCOCC1CCSCC1 34a_100000070558_200135323944 [0,1,0,1,0,0|1,1,0]=4 18305 B15R1.504 CC(=S)OCCCOCC1CCSCC1 7a_100000070558_200135323944 [0,1,0,1,0,0|1,1,0]=4 18306 B15R1.504 CC(=S)OCCCSCC1CCCCC1 62a_100000211423_200135323944 [0,1,0,1,0,0|0,1,0]=3 18307 B15R1.504 CC(=S)OCCCSCC1CCCCC1 62a_200135323944_100000211423 [0,1,0,1,0,0|0,1,0]=3 18308 B15R1.504 CC(=S)OCCCSCC1CCCCO1 62a_100000211543_200135323944 [0,1,0,1,0,0|1,1,0]=4 18309 B15R1.504 CC(=S)OCCCSCC1CCCCO1 62a_200135323944_100000211543 [0,1,0,1,0,0|1,1,0]=4 18310 B15R1.504 CC(=S)OCCCSCC1CCCOC1 62a_100000741521_200135323944 [0,1,0,1,0,0|1,1,0]=4 18311 B15R1.504 CC(=S)OCCCSCC1CCCOC1 62a_200135323944_100000741521 [0,1,0,1,0,0|1,1,0]=4 18312 B15R1.504 CC(=S)OCCCSCC1CCOCC1 62a_100000754603_200135323944 [0,1,0,1,0,0|1,1,0]=4 18313 B15R1.504 CC(=S)OCCCSCC1CCOCC1 62a_200135323944_100000749018 [0,1,0,1,0,0|1,1,0]=4 18314 B15R1.504 CC(C)COCCCCC1CCCCC1 34a_100011215267_100000210624 [0,1,0,1,0,0|1,0,1]=4 18315 B15R1.504 CC(C)COCCCCC1CCCCC1 7a_100011215267_100000210760 [0,1,0,1,0,0|1,0,1]=4 18316 B15R1.504 CC(C)OCCCCCN1CCCCC1 34a_100011216611_100000210206 [0,1,0,1,0,0|1,0,1]=4 18317 B15R1.504 CC(C)OCCCCCN1CCCCC1 7a_100011216611_100000210206 [0,1,0,1,0,0|1,0,1]=4 18318 B15R1.504 CC(C)OCCCNCC1CCCCC1 2230a_100000737246_100000211423 [0,1,0,1,0,0|1,0,1]=4 18319 B15R1.504 CC(C)OCCCNCC1CCCCC1 269862a_100000737246_100000211278 [0,1,0,1,0,0|1,0,1]=4 18320 B15R1.504 CC(C)OCCCNCC1CCCCC1 34a_100000737246_100000211423 [0,1,0,1,0,0|1,0,1]=4 18321 B15R1.504 CC(C)OCCNCCC1CCCCC1 2230a_100000701111_100012355289 [0,1,0,1,0,0|1,0,1]=4 18322 B15R1.504 CC(C)OCCNCCC1CCCCC1 2230a_100000738074_100000211751 [0,1,0,1,0,0|1,0,1]=4 18323 B15R1.504 CC(C)OCCNCCC1CCCCC1 270004a_100000701111_100011713444 [0,1,0,1,0,0|1,0,1]=4 18324 B15R1.504 CC(C)OCCNCCC1CCCCC1 34a_100000701111_100011209188 [0,1,0,1,0,0|1,0,1]=4 18325 B15R1.504 CC(C)OCCNCCC1CCCCC1 34a_100000738074_100000211751 [0,1,0,1,0,0|1,0,1]=4 18326 B15R1.504 CC(C)OCCOCCC1CCCCC1 34a_100000211219_100011209188 [0,1,0,1,0,0|1,0,1]=4 18327 B15R1.504 CC(C)OCCOCCC1CCCCC1 34a_100011217863_100000211751 [0,1,0,1,0,0|1,0,1]=4 18328 B15R1.504 CC(C)OCCOCCC1CCCCC1 7a_100000211219_100011273959 [0,1,0,1,0,0|1,0,1]=4 18329 B15R1.504 CC(C)OCCOCCC1CCCCC1 7a_100011217863_100000211751 [0,1,0,1,0,0|1,0,1]=4 18330 B15R1.504 CC(C)OCCSCCC1CCCCC1 62a_100000211751_100012355289 [0,1,0,1,0,0|1,0,1]=4 18331 B15R1.504 CC(C)OCCSCCC1CCCCC1 62a_100012355289_100000211751 [0,1,0,1,0,0|1,0,1]=4 18332 B15R1.504 CC(C)OCNCCCC1CCCCC1 2230a_100011211642_100000709892 [0,1,0,1,0,0|1,0,1]=4 18333 B15R1.504 CC(C)OCNCCCC1CCCCC1 34a_100011211642_100000709892 [0,1,0,1,0,0|1,0,1]=4 18334 B15R1.504 CC(C)OCOCCCC1CCCCC1 34a_100000198086_100000709892 [0,1,0,1,0,0|1,0,1]=4 18335 B15R1.504 CC(C)OCSCCCC1CCCCC1 62a_100000709892_100011713725 [0,1,0,1,0,0|1,0,1]=4 18336 B15R1.504 CC(C)OCSCCCC1CCCCC1 62a_100011713725_100000709892 [0,1,0,1,0,0|1,0,1]=4 18337 B15R1.504 CC(O)COCCCCC1CCCCC1 34a_100011215267_100011218427 [0,1,0,1,0,0|0,0,2]=4 18338 B15R1.504 CC(O)COCCCCC1CCCCC1 7a_100011215267_100011218427 [0,1,0,1,0,0|0,0,2]=4 18339 B15R1.504 CS(=O)CCCNCCC1CCCCC1 2230a_200000753449_100012355289 [0,1,0,1,0,0|2,0,0]=4 18340 B15R1.504 CS(=O)CCCNCCC1CCCCC1 270004a_200000753449_100011713444 [0,1,0,1,0,0|2,0,0]=4 18341 B15R1.504 C[C@@H](O)COCCCCC1CCCCC1 34a_100011215267_100009817552 [0,1,0,1,0,0|0,0,2]=4 18342 B15R1.504 C[C@@H](O)COCCCCC1CCCCC1 7a_100011215267_100009817552 [0,1,0,1,0,0|0,0,2]=4 18343 B15R1.504 NC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100009817443 [0,1,0,1,0,0|2,0,0]=4 18344 B15R1.504 NC(=O)CCCCCNC1CCCCC1 34a_100000182618_100009817443 [0,1,0,1,0,0|2,0,0]=4 18345 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000123541_100000210327 [0,1,0,1,0,0|2,0,0]=4 18346 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000210231_100009817443 [0,1,0,1,0,0|2,0,0]=4 18347 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000123541_100000210327 [0,1,0,1,0,0|2,0,0]=4 18348 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000210231_100009817443 [0,1,0,1,0,0|2,0,0]=4 18349 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100000210327_100009817443 [0,1,0,1,0,0|2,0,0]=4 18350 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100009817443_100000210327 [0,1,0,1,0,0|2,0,0]=4 18351 B15R1.504 NC(=O)CCCCNCC1CCCCC1 269862a_100000696515_100000211278 [0,1,0,1,0,0|2,0,0]=4 18352 B15R1.504 NC(=O)CCCCNCC1CCCCC1 34a_100000696515_100000211423 [0,1,0,1,0,0|2,0,0]=4 18353 B15R1.504 NC(=O)CCCCOCC1CCCCC1 34a_100012022536_100000211423 [0,1,0,1,0,0|2,0,0]=4 18354 B15R1.504 NC(=O)CCCCOCC1CCCCC1 7a_100012022536_100000211423 [0,1,0,1,0,0|2,0,0]=4 18355 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000738074_100102525003 [0,1,0,1,0,0|2,0,0]=4 18356 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000739312_100011209188 [0,1,0,1,0,0|2,0,0]=4 18357 B15R1.504 NC(=O)CCCOCCC1CCCCC1 34a_100011217863_100102525003 [0,1,0,1,0,0|2,0,0]=4 18358 B15R1.504 NC(=O)CCCOCCC1CCCCC1 7a_100011217863_100102525003 [0,1,0,1,0,0|2,0,0]=4 18359 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100012355289_100102525003 [0,1,0,1,0,0|2,0,0]=4 18360 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100102525003_100012355289 [0,1,0,1,0,0|2,0,0]=4 18361 B15R1.504 NC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000744528 [0,1,0,1,0,0|2,0,0]=4 18362 B15R1.504 NC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000731001 [0,1,0,1,0,0|2,0,0]=4 18363 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000731001 [0,1,0,1,0,0|2,0,0]=4 18364 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000757172_100011713725 [0,1,0,1,0,0|2,0,0]=4 18365 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000744528 [0,1,0,1,0,0|2,0,0]=4 18366 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000757172_100011713725 [0,1,0,1,0,0|2,0,0]=4 18367 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100000744528_100011713725 [0,1,0,1,0,0|2,0,0]=4 18368 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000744528 [0,1,0,1,0,0|2,0,0]=4 18369 B15R1.504 NC(=O)COCCCCC1CCCCC1 34a_100011215267_100000187820 [0,1,0,1,0,0|1,0,0]=3 18370 B15R1.504 NC(=O)COCCCCC1CCCCC1 7a_100011215267_100000187820 [0,1,0,1,0,0|1,0,0]=3 18371 B15R1.504 NC(=O)COCCCCC1CCNCC1 34a_100016989291_100000187820 [0,1,0,1,0,0|2,0,0]=4 18372 B15R1.504 NC(=O)COCCNCC1CCCCC1 2230a_100000210473_100000076697 [0,1,0,1,0,0|2,0,0]=4 18373 B15R1.504 NC(=O)COCCNCC1CCCCC1 34a_100000210473_100000076697 [0,1,0,1,0,0|2,0,0]=4 18374 B15R1.504 NC(=O)COCCOCC1CCCCC1 34a_100000212181_100000076697 [0,1,0,1,0,0|2,0,0]=4 18375 B15R1.504 NC(=O)COCCOCC1CCCCC1 7a_100000212181_100000076697 [0,1,0,1,0,0|2,0,0]=4 18376 B15R1.504 NC(=O)COCCSCC1CCCCC1 62a_100000076697_100000211423 [0,1,0,1,0,0|2,0,0]=4 18377 B15R1.504 NC(=O)COCCSCC1CCCCC1 62a_100000211423_100000076697 [0,1,0,1,0,0|2,0,0]=4 18378 B15R1.504 NC(=O)NCCNCCC1CCCCC1 2230a_100000738074_200000034859 [0,1,0,1,0,0|2,0,0]=4 18379 B15R1.504 NC(=O)NCCNCCC1CCCCC1 34a_100020590234_100011209188 [0,1,0,1,0,0|2,0,0]=4 18380 B15R1.504 NC(=O)NCCOCCC1CCCCC1 34a_100000181757_100011209188 [0,1,0,1,0,0|2,0,0]=4 18381 B15R1.504 NC(=O)NCCOCCC1CCCCC1 7a_100011217863_200000034859 [0,1,0,1,0,0|2,0,0]=4 18382 B15R1.504 NC(=O)NCCSCCC1CCCCC1 62a_100012355289_200000034859 [0,1,0,1,0,0|2,0,0]=4 18383 B15R1.504 NC(=O)NCCSCCC1CCCCC1 62a_200000034859_100012355289 [0,1,0,1,0,0|2,0,0]=4 18384 B15R1.504 NC(=O)OCCNCCC1CCCCC1 34a_100000738074_200011214921 [0,1,0,1,0,0|1,0,0]=3 18385 B15R1.504 NC(=O)OCCNCCC1CCCCO1 34a_100015183643_200011214921 [0,1,0,1,0,0|2,0,0]=4 18386 B15R1.504 NC(=O)OCCNCCC1CCOCC1 34a_100000755988_200011214921 [0,1,0,1,0,0|2,0,0]=4 18387 B15R1.504 NC(=O)OCCOCCC1CCCCC1 34a_100011217863_200011214921 [0,1,0,1,0,0|1,0,0]=3 18388 B15R1.504 NC(=O)OCCOCCC1CCCCC1 7a_100000766696_100011273959 [0,1,0,1,0,0|1,0,0]=3 18389 B15R1.504 NC(=O)OCCOCCC1CCCCC1 7a_100011217863_200011214921 [0,1,0,1,0,0|1,0,0]=3 18390 B15R1.504 NC(=O)OCCOCCC1CCCCN1 34a_100000211664_200011214921 [0,1,0,1,0,0|2,0,0]=4 18391 B15R1.504 NC(=O)OCCOCCC1CCCNC1 34a_100000752241_200011214921 [0,1,0,1,0,0|2,0,0]=4 18392 B15R1.504 NC(=O)OCCOCCC1CCNCC1 34a_100015190746_200011214921 [0,1,0,1,0,0|2,0,0]=4 18393 B15R1.504 NC(=O)OCCOCCC1CCOCC1 34a_100011933979_200011214921 [0,1,0,1,0,0|2,0,0]=4 18394 B15R1.504 NC(=O)OCCOCCC1CCOCC1 7a_100000766696_100011934994 [0,1,0,1,0,0|2,0,0]=4 18395 B15R1.504 NC(=O)OCCOCCC1CCOCC1 7a_100011933979_200011214921 [0,1,0,1,0,0|2,0,0]=4 18396 B15R1.504 NC(=O)OCCOCCN1CCCCC1 7a_100000766696_100000739454 [0,1,0,1,0,0|2,0,0]=4 18397 B15R1.504 NC(=O)OCCOCOC1CCCCC1 7a_100000766696_100011935260 [0,1,0,1,0,0|2,0,0]=4 18398 B15R1.504 NC(=O)OCCSCCC1CCCCC1 62a_100012355289_200011214921 [0,1,0,1,0,0|1,0,0]=3 18399 B15R1.504 NC(=O)OCCSCCC1CCCCC1 62a_200011214921_100012355289 [0,1,0,1,0,0|1,0,0]=3 18400 B15R1.504 NC(=O)OCCSCCC1CCOCC1 62a_100011934994_200011214921 [0,1,0,1,0,0|2,0,0]=4 18401 B15R1.504 NC(=O)OCCSCCC1CCOCC1 62a_200011214921_100011934994 [0,1,0,1,0,0|2,0,0]=4 18402 B15R1.504 NC(=O)OCCSCCN1CCCCC1 62a_100000739454_200011214921 [0,1,0,1,0,0|2,0,0]=4 18403 B15R1.504 NC(=O)OCCSCCN1CCCCC1 62a_200011214921_100000739454 [0,1,0,1,0,0|2,0,0]=4 18404 B15R1.504 NC(=O)OCCSCOC1CCCCC1 62a_100011935260_200011214921 [0,1,0,1,0,0|2,0,0]=4 18405 B15R1.504 NC(=O)OCCSCOC1CCCCC1 62a_200011214921_100011935260 [0,1,0,1,0,0|2,0,0]=4 18406 B15R1.504 O=C(O)COCCNCC1CCCCC1 269956a_100000700818_100000211423 [0,1,0,1,0,0|2,0,0]=4 18407 B15R1.504 O=C(O)CONCCCC1CCCCC1 269956a_100000106656_100011713725 [0,1,0,1,0,0|2,0,0]=4 18408 B15R1.504 O=C([O-])CCCCCOC1CCCCC1 7a_100102619762_100000210327 [0,1,0,1,0,0|2,0,0]=4 18409 B15R1.504 O=C([O-])COCCCCC1CCCCC1 34a_100011215267_100020667443 [0,1,0,1,0,0|1,0,0]=3 18410 B15R1.504 O=C([O-])COCCCCC1CCNCC1 34a_100016989291_100020667443 [0,1,0,1,0,0|2,0,0]=4 18411 B15R1.504 O=[N+]([O-])COCCCCC1CCCCC1 34a_100011215267_100000761209 [0,1,0,1,0,0|2,0,0]=4 18412 B15R1.504 O=[N+]([O-])OCCCCNC1CCCCC1 34a_100000182618_100015694321 [0,1,0,1,0,0|2,0,0]=4 18413 B15R1.504 O=[N+]([O-])OCCCCOC1CCCCC1 34a_100000210231_100015694321 [0,1,0,1,0,0|2,0,0]=4 18414 B15R1.504 O=[N+]([O-])OCCCCOC1CCCCC1 7a_100000210231_100015694321 [0,1,0,1,0,0|2,0,0]=4 18415 B15R1.504 O=[N+]([O-])OCCCCSC1CCCCC1 62a_100000210327_100015694321 [0,1,0,1,0,0|2,0,0]=4 18416 B15R1.860 CCCOC1CN(C1)CCCOC(=O)C 269982a_200020626125_100000042594 [0,1,0,1,0,0|2,0,0]=4 18417 B15R1.860 CCCOC1CN(C1)CCCOC(=O)C 34a_200020626125_100000042594 [0,1,0,1,0,0|2,0,0]=4 18418 B15R1.1036 CC(=O)OCC1CCCN(C1)CCCF 2230a_100025751563_100011934791 [0,1,0,1,0,0|2,0,0]=4 18419 B15R1.1036 CC(=O)OCC1CCCN(C1)CCCF 269982a_100025751563_100011934791 [0,1,0,1,0,0|2,0,0]=4 18420 B15R1.1036 CC(=O)OCC1CCCN(C1)CCCO 2230a_100025751563_100000230001 [0,1,0,1,0,0|2,0,0]=4 18421 B15R1.1036 CC(=O)OCC1CCCN(C1)CCCO 269982a_100025751563_100011215043 [0,1,0,1,0,0|2,0,0]=4 18422 B15R1.1036 CC(=O)OCN1CCCC(C1)CCCO 269982a_100150707839_100000076356 [0,1,0,1,0,0|2,0,0]=4 18423 B15R1.1036 CC(=O)OCN1CCCC(C1)CCCO 34a_100150707839_100009813279 [0,1,0,1,0,0|2,0,0]=4 18424 B15R1.1036 CCCCN1CCCC(C1)CNC(=O)C 2230a_100011207013_100000210211 [0,1,0,1,0,0|2,0,0]=4 18425 B15R1.1036 CCCCN1CCCC(C1)CNC(=O)C 269982a_100011207013_100000210211 [0,1,0,1,0,0|2,0,0]=4 18426 B15R1.1036 CCCCN1CCCC(C1)CNC(=O)C 34a_100011207013_100000210210 [0,1,0,1,0,0|2,0,0]=4 18427 B15R1.1036 CCCCN1CCCC(C1)COC(=O)C 2230a_100025751563_100000210211 [0,1,0,1,0,0|1,0,0]=3 18428 B15R1.1036 CCCCN1CCCC(C1)COC(=O)C 269982a_100025751563_100000210211 [0,1,0,1,0,0|1,0,0]=3 18429 B15R1.1036 CCCOC1CCCN(C1)COC(=O)C 269982a_100000743837_100000076356 [0,1,0,1,0,0|2,0,0]=4 18430 B15R1.1036 CCCOC1CCCN(C1)COC(=O)C 34a_100000743837_100009813279 [0,1,0,1,0,0|2,0,0]=4 18431 B15R1.1036 CCOCN1CCCC(C1)COC(=O)C 269982a_100025751563_100000739092 [0,1,0,1,0,0|2,0,0]=4 18432 B15R1.1036 COCCC1CCCN(C1)COC(=O)C 269982a_100011653411_100000076356 [0,1,0,1,0,0|2,0,0]=4 18433 B15R1.1036 COCCC1CCCN(C1)COC(=O)C 34a_100011653411_100009813279 [0,1,0,1,0,0|2,0,0]=4 18434 B15R1.1036 COCCN1CCCC(C1)COC(=O)C 2230a_100025751563_100011201679 [0,1,0,1,0,0|2,0,0]=4 18435 B15R1.1036 COCCN1CCCC(C1)COC(=O)C 269982a_100025751563_100000233755 [0,1,0,1,0,0|2,0,0]=4 18436 B15R1.1036 CSCCN1CCCC(C1)COC(=O)C 2230a_100025751563_100000751147 [0,1,0,1,0,0|2,0,0]=4 18437 B15R1.1036 CSCCN1CCCC(C1)COC(=O)C 269982a_100025751563_100000212216 [0,1,0,1,0,0|2,0,0]=4 18438 B15R1.1153 CC(=O)OCCCCCN1CC(C1)CF 269982a_100010363649_100000033007 [0,1,0,1,0,0|2,0,0]=4 18439 B15R1.1153 CC(=O)OCCCCCN1CC(C1)CF 34a_100010363649_100000033007 [0,1,0,1,0,0|2,0,0]=4 18440 B15R1.1153 CC(=O)OCCCCCN1CC(C1)CO 269982a_100016987283_100000033007 [0,1,0,1,0,0|2,0,0]=4 18441 B15R1.1153 CC(=O)OCCCCCN1CC(C1)CO 34a_100016987283_100000033007 [0,1,0,1,0,0|2,0,0]=4 18442 B15R1.1153 CC(=O)OCCCCSC1CC(C1)CO 62a_100000033659_100009874164 [0,1,0,1,0,0|2,0,0]=4 18443 B15R1.1153 CC(=O)OCCCCSC1CC(C1)CO 62a_100009874164_100000033659 [0,1,0,1,0,0|2,0,0]=4 18444 B15R1.1153 CCC1CN(C1)CCCCCOC(=O)C 2230a_100015205115_100009813381 [0,1,0,1,0,0|1,0,0]=3 18445 B15R1.1153 CCC1CN(C1)CCCCCOC(=O)C 269982a_100015205115_100000033007 [0,1,0,1,0,0|1,0,0]=3 18446 B15R1.1153 CCC1CN(C1)CCOCCOC(=O)C 2230a_100015205115_200000083610 [0,1,0,1,0,0|2,0,0]=4 18447 B15R1.1153 CCC1CN(C1)CCOCCOC(=O)C 269982a_100015205115_200000083610 [0,1,0,1,0,0|2,0,0]=4 18448 B15R1.1153 COC1CN(C1)CCCCCOC(=O)C 269982a_100000755009_100000033007 [0,1,0,1,0,0|2,0,0]=4 18449 B15R1.1153 CSC1CN(C1)CCCCCOC(=O)C 269982a_100016990038_100000033007 [0,1,0,1,0,0|2,0,0]=4 18450 B15R1.1239 CCCCC(=O)C1CCCCN1C(=O)C 1458a_100000195068_100000210211 [0,1,0,1,0,0|1,0,1]=4 18451 B15R1.4172 CC(=O)OCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000042594 [0,1,0,1,0,0|2,0,0]=4 18452 B15R1.4172 CC(=O)OCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000042594 [0,1,0,1,0,0|2,0,0]=4 18453 B15R1.4172 CC(=O)OCCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000042594 [0,1,0,1,0,0|2,0,0]=4 18454 B15R1.6489 CC(=O)OCCCCCC(=O)C1CC1C 1458a_100000211227_100000033007 [0,1,0,1,0,0|0,0,1]=3 18455 B15R1.6489 CC(=O)OCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000033007 [0,1,0,1,0,0|1,0,1]=4 18456 B15R1.6489 CC(=O)OCCOCCC(=O)C1CC1C 1458a_100000211227_200000083610 [0,1,0,1,0,0|1,0,1]=4 18457 B15R1.8448 CC(=O)CCCOC1CC(CCC1C)C 34a_100011217446_100000685027 [0,1,0,1,0,0|2,0,0]=4 18458 B15R1.8448 CC(=O)CCCOC1CC(CCC1C)C 7a_100011217446_100011215641 [0,1,0,1,0,0|2,0,0]=4 18459 B15R1.8448 CC(=O)NCCNC1CC(CCC1C)C 269862a_100000209853_100000034887 [0,1,0,1,0,0|2,0,0]=4 18460 B15R1.8448 CC(=O)NCCOC1CC(CCC1C)C 7a_100011217446_100000189650 [0,1,0,1,0,0|2,0,0]=4 18461 B15R1.8448 CC(=O)OCCCN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000042594 [0,1,0,1,0,0|2,0,0]=4 18462 B15R1.8448 CC(=O)OCCCN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000042594 [0,1,0,1,0,0|2,0,0]=4 18463 B15R1.8448 CC(=O)OCCOC1CC(CCC1C)C 34a_100011217446_100009814007 [0,1,0,1,0,0|1,0,0]=3 18464 B15R1.8448 CC(=O)OCCOC1CC(CCC1C)C 7a_100011217446_100009814007 [0,1,0,1,0,0|1,0,0]=3 18465 B15R1.8448 CC(=O)SCCNC1CC(CCC1C)C 269862a_100020647217_100000034887 [0,1,0,1,0,0|1,1,0]=4 18466 B15R1.8448 CC1CCC(C(C1)OCCOC(=O)N)C 34a_100011217446_200011214921 [0,1,0,1,0,0|2,0,0]=4 18467 B15R1.8448 CC1CCC(C(C1)OCCOC(=O)N)C 7a_100011217446_200011214921 [0,1,0,1,0,0|2,0,0]=4 18468 B15R1.9080 CC(=O)NCCCCCC(=O)C1CCC1 1458a_100000183861_100000749161 [0,1,0,1,0,0|1,0,1]=4 18469 B15R1.9080 CC(=O)NCCCCNC(C)C1CCC1 269862a_200011368371_100000760154 [0,1,0,1,0,0|2,0,0]=4 18470 B15R1.9080 CC(=O)OCCCCCC(=O)C1CCC1 1458a_100000209988_100000033007 [0,1,0,1,0,0|0,0,1]=3 18471 B15R1.9080 CC(=O)OCCCCCC(=O)C1CCO1 1458a_100000089072_100000033007 [0,1,0,1,0,0|1,0,1]=4 18472 B15R1.9080 CC(=O)OCCCCCC(=O)C1COC1 1458a_100000758290_100000033007 [0,1,0,1,0,0|1,0,1]=4 18473 B15R1.9080 CC(=O)OCCCCCN(C)C1CCC1 2230a_100000758072_100009813381 [0,1,0,1,0,0|1,0,0]=3 18474 B15R1.9080 CC(=O)OCCCCCN(C)C1CCC1 269982a_100000758072_100000033007 [0,1,0,1,0,0|1,0,0]=3 18475 B15R1.9080 CC(=O)OCCCCCN(C)C1CCC1 34a_100000758072_100000033007 [0,1,0,1,0,0|1,0,0]=3 18476 B15R1.9080 CC(=O)OCCCCCN(C)C1COC1 2230a_100102693430_100009813381 [0,1,0,1,0,0|2,0,0]=4 18477 B15R1.9080 CC(=O)OCCCCCN(C)C1COC1 269982a_100102693430_100000033007 [0,1,0,1,0,0|2,0,0]=4 18478 B15R1.9080 CC(=O)OCCCCNC(C)C1CCC1 34a_100016994624_100000033659 [0,1,0,1,0,0|1,0,0]=3 18479 B15R1.9080 CC(=O)OCCCCOC(C)C1CCC1 34a_100000766398_100000033659 [0,1,0,1,0,0|1,0,0]=3 18480 B15R1.9080 CC(=O)OCCCCOC(C)C1CCC1 7a_100000766398_100000033659 [0,1,0,1,0,0|1,0,0]=3 18481 B15R1.9080 CC(=O)OCCCOC[C@@H](N)C1COC1 34a_217856628679_100000042594 [0,1,0,1,0,0|2,0,0]=4 18482 B15R1.9080 CC(=O)OCCCSCC(=O)C1CCC1 62a_100000042594_100000686122 [0,1,0,1,0,0|1,0,1]=4 18483 B15R1.9080 CC(=O)OCCCSCC(=O)C1CCC1 62a_100000686122_100000042594 [0,1,0,1,0,0|1,0,1]=4 18484 B15R1.9080 CC(=O)OCCOCCC(=O)C1CCC1 1458a_100000209988_200000083610 [0,1,0,1,0,0|1,0,1]=4 18485 B15R1.9080 CC(=O)OCCOCCN(C)C1CCC1 2230a_100000758072_200000083610 [0,1,0,1,0,0|2,0,0]=4 18486 B15R1.9080 CC(=O)OCCOCCN(C)C1CCC1 269982a_100000758072_200000083610 [0,1,0,1,0,0|2,0,0]=4 18487 B15R1.9080 CC(=O)OCCOCCN(C)C1CCC1 34a_100000758072_200000083610 [0,1,0,1,0,0|2,0,0]=4 18488 B15R1.9080 CC(=O)OCCOCNC(C)C1CCC1 34a_100016994624_100000076355 [0,1,0,1,0,0|2,0,0]=4 18489 B15R1.9080 CC(=O)OCCOCOC(C)C1CCC1 34a_100000766398_100000076355 [0,1,0,1,0,0|2,0,0]=4 18490 B15R1.9080 CC(=O)SCCCCNC(C)C1CCC1 2230a_100016994624_200010402107 [0,1,0,1,0,0|1,1,0]=4 18491 B15R1.9080 CC(=O)SCCCCNC(C)C1CCC1 34a_100016994624_200010402107 [0,1,0,1,0,0|1,1,0]=4 18492 B15R1.9080 CC(=O)SCCCCOC(C)C1CCC1 34a_100000766398_200010402107 [0,1,0,1,0,0|1,1,0]=4 18493 B15R1.9080 CC(=O)SCCCCOC(C)C1CCC1 7a_100000766398_200010402107 [0,1,0,1,0,0|1,1,0]=4 18494 B15R1.9082 CC(=O)NCCCCCC(=O)CC1CC1 1458a_100000183861_100000742324 [0,1,0,1,0,0|1,0,1]=4 18495 B15R1.9082 CC(=O)NCCCCNC(C)CC1CC1 270004a_200011368371_200000686933 [0,1,0,1,0,0|2,0,0]=4 18496 B15R1.9082 CC(=O)OCCCCCC(=O)CC1CC1 1458a_100000738066_100000033007 [0,1,0,1,0,0|0,0,1]=3 18497 B15R1.9082 CC(=O)OCCCCCN(C)CC1CC1 2230a_100000741881_100009813381 [0,1,0,1,0,0|1,0,0]=3 18498 B15R1.9082 CC(=O)OCCCCCN(C)CC1CC1 269982a_100000741881_100000033007 [0,1,0,1,0,0|1,0,0]=3 18499 B15R1.9082 CC(=O)OCCOCCC(=O)CC1CC1 1458a_100000738066_200000083610 [0,1,0,1,0,0|1,0,1]=4 18500 B15R1.9082 CC(=O)OCCOCCN(C)CC1CC1 2230a_100000741881_200000083610 [0,1,0,1,0,0|2,0,0]=4 18501 B15R1.9082 CC(=O)OCCOCCN(C)CC1CC1 269982a_100000741881_200000083610 [0,1,0,1,0,0|2,0,0]=4 18502 B15R1.13063 CCC1CN(CCN1CCOC(=O)C)C 269982a_100011941019_100009814007 [0,1,0,1,0,0|2,0,0]=4 18503 B15R1.15131 CC(=O)OCCCCN1C(CCC1C)C 269982a_100000687148_100000033659 [0,1,0,1,0,0|1,0,0]=3 18504 B15R1.15131 CC(=O)OCCCCN1C(CCC1C)C 34a_100000687148_100000033659 [0,1,0,1,0,0|1,0,0]=3 18505 B15R1.15131 CC(=O)OCCOCN1C(CCC1C)C 269982a_100000687148_100000076355 [0,1,0,1,0,0|2,0,0]=4 18506 B15R1.15131 CC(=O)OCCOCN1C(CCC1C)C 34a_100000687148_100000076355 [0,1,0,1,0,0|2,0,0]=4 18507 B15R1.15131 CC(=O)SCCCCN1C(CCC1C)C 2230a_100000687148_200010402107 [0,1,0,1,0,0|1,1,0]=4 18508 B15R1.15131 CC(=O)SCCCCN1C(CCC1C)C 269982a_100000687148_200010402107 [0,1,0,1,0,0|1,1,0]=4 18509 B15R1.15131 CC(=O)SCCCCN1C(CCC1C)C 34a_100000687148_200010402107 [0,1,0,1,0,0|1,1,0]=4 18510 B15R1.31152 CC(=O)CCCCOCC1(CCCC1)N 34a_100000749328_100009817362 [0,1,0,1,0,0|2,0,0]=4 18511 B15R1.31152 CC(=O)CCCNCCC1(CCCC1)O 34a_100000719956_100000685027 [0,1,0,1,0,0|2,0,0]=4 18512 B15R1.31152 CC(=O)OCCCCOC1(CCCC1)C 34a_100000751722_100000033659 [0,1,0,1,0,0|1,0,0]=3 18513 B15R1.31152 CC(=O)OCCCCOC1(CCCC1)C 7a_100000751722_100000033659 [0,1,0,1,0,0|1,0,0]=3 18514 B15R1.31152 CC(=O)OCCCOCC1(CCCC1)N 34a_100000749328_100000042594 [0,1,0,1,0,0|1,0,0]=3 18515 B15R1.31152 CC(=O)OCCCOC[C@@]1(CCCN1)C 34a_100016195882_100000042594 [0,1,0,1,0,0|2,0,0]=4 18516 B15R1.31152 CC(=O)OCCNCCC1(CCCC1)O 34a_100000719956_100009814007 [0,1,0,1,0,0|1,0,0]=3 18517 B15R1.31152 CC(=O)OCCOCOC1(CCCC1)C 34a_100000751722_100000076355 [0,1,0,1,0,0|2,0,0]=4 18518 B15R1.31152 CC(=O)SCCCCOC1(CCCC1)C 34a_100000751722_200010402107 [0,1,0,1,0,0|1,1,0]=4 18519 B15R1.31152 CC(=O)SCCCCOC1(CCCC1)C 7a_100000751722_200010402107 [0,1,0,1,0,0|1,1,0]=4 18520 B15R1.31152 CC(=O)SCCCNCC1(CCCC1)O 2230a_100000737848_100000038929 [0,1,0,1,0,0|1,1,0]=4 18521 B15R1.31152 CC(=O)SCCCOCC1(CCCC1)N 34a_100000749328_100000038929 [0,1,0,1,0,0|1,1,0]=4 18522 B15R1.31152 CC(=S)OCCCNCC1(CCCC1)O 2230a_100000737848_200135323944 [0,1,0,1,0,0|1,1,0]=4 18523 B15R1.31152 CC(=S)OCCCOCC1(CCCC1)N 34a_100000749328_200135323944 [0,1,0,1,0,0|1,1,0]=4 18524 B15R1.31152 NC(=O)OCCNCCC1(CCCC1)O 34a_100000719956_200011214921 [0,1,0,1,0,0|2,0,0]=4 18525 B15R1.42 CC(=O)OCCCCN1CCC(C1)CO 269982a_100000748654_100000033659 [0,1,0,1,0,0|2,0,0]=4 18526 B15R1.42 CC(=O)OCCCCN1CCC(C1)CO 34a_100000748654_100000033659 [0,1,0,1,0,0|2,0,0]=4 18527 B15R1.42 CC(=O)OCCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100009814007 [0,1,0,1,0,0|2,0,0]=4 18528 B15R1.42 CC(=O)OCCOC[C@H]1CC[C@H](C1)CN 34a_206354213956_100009814007 [0,1,0,1,0,0|2,0,0]=4 18529 B15R1.42 CCC1CCC(C1)NCCCNC(=O)C 270004a_100000736810_100011218773 [0,1,0,1,0,0|2,0,0]=4 18530 B15R1.42 CCN1CCC(C1)CSCCOC(=O)C 62a_100009814007_100015184589 [0,1,0,1,0,0|2,0,0]=4 18531 B15R1.42 CCN1CCC(C1)CSCCOC(=O)C 62a_100015184589_100009814007 [0,1,0,1,0,0|2,0,0]=4 18532 B15R1.42 CCN1CCC(C1)SCCCOC(=O)C 62a_100000042594_200011861547 [0,1,0,1,0,0|2,0,0]=4 18533 B15R1.42 CO[C@@H]1CCN(C1)CCCCOC(=O)C 269982a_100000766984_100000033659 [0,1,0,1,0,0|2,0,0]=4 18534 B15R1.77 CCCCCC(C)NCC1CNC(=O)C1 2230a_100016993742_200011218191 [0,1,0,1,0,0|2,0,0]=4 18535 B15R1.77 CCCCCC(C)NCC1CNC(=O)C1 34a_100016993742_200011218191 [0,1,0,1,0,0|2,0,0]=4 18536 B15R1.77 CCCCCC(C)NC[C@H]1COC(=O)N1 2230a_100000211957_100015307671 [0,1,0,1,0,0|2,0,0]=4 18537 B15R1.77 CCCCCC(C)OCC1CNC(=O)C1 34a_100016041077_200011218191 [0,1,0,1,0,0|2,0,0]=4 18538 B15R1.77 CCCCCC(C)OCC1COC(=O)O1 34a_100011215632_100000073702 [0,1,0,1,0,0|2,0,0]=4 18539 B15R1.77 CCCCCC(C)OC[C@H]1COC(=O)N1 34a_100011215632_100015307671 [0,1,0,1,0,0|2,0,0]=4 18540 B15R1.77 CCCCCC(C)OC[C@H]1COC(=O)N1 7a_100011215632_100015307671 [0,1,0,1,0,0|2,0,0]=4 18541 B15R1.77 CCCCCC(C)SCC1COC(=O)O1 62a_100000073702_200011218191 [0,1,0,1,0,0|2,0,0]=4 18542 B15R1.77 CCCCCC(C)SCC1COC(=O)O1 62a_200011218191_100000073702 [0,1,0,1,0,0|2,0,0]=4 18543 B15R1.77 CCCCCC(C)SC[C@H]1COC(=O)N1 62a_100015307671_200011218191 [0,1,0,1,0,0|2,0,0]=4 18544 B15R1.77 CCCCCC(C)SC[C@H]1COC(=O)N1 62a_200011218191_100015307671 [0,1,0,1,0,0|2,0,0]=4 18545 B15R1.129 CCCCCC(=O)CN1CCOC(=O)C1 2230a_100000131268_200012276598 [0,1,0,1,0,0|1,0,1]=4 18546 B15R1.129 CCCCCC(C)NC1CCNC(=O)C1 2230a_100016994916_200011218191 [0,1,0,1,0,0|2,0,0]=4 18547 B15R1.129 CCCCCC(C)NC1CCNC(=O)C1 34a_100016994916_200011218191 [0,1,0,1,0,0|2,0,0]=4 18548 B15R1.129 CCCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011218191 [0,1,0,1,0,0|2,0,0]=4 18549 B15R1.129 CCCCCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_200011218191 [0,1,0,1,0,0|2,0,0]=4 18550 B15R1.293 CCOC1CN(C1)CCCCOC(=O)C 269982a_100000732654_100000033659 [0,1,0,1,0,0|2,0,0]=4 18551 B15R1.293 CCOC1CN(C1)CCCCOC(=O)C 34a_100000732654_100000033659 [0,1,0,1,0,0|2,0,0]=4 18552 B15R1.293 COCC1CN(C1)CCCCOC(=O)C 269982a_100016993750_100000033659 [0,1,0,1,0,0|2,0,0]=4 18553 B15R1.293 COCC1CN(C1)CCCCOC(=O)C 34a_100016993750_100000033659 [0,1,0,1,0,0|2,0,0]=4 18554 B15R1.351 CC(=O)OCCSC1CCCCCC1=O 62a_100000243696_100009814007 [0,1,0,1,0,0|1,0,1]=4 18555 B15R1.351 CC(=O)OCCSC1CCCCCC1=O 62a_100009814007_100000243696 [0,1,0,1,0,0|1,0,1]=4 18556 B15R1.506 CC(=O)CCCCNC(C)C1CCCC1 34a_100015185923_100009817362 [0,1,0,1,0,0|2,0,0]=4 18557 B15R1.506 CC(=O)CCCCOC(C)C1CCCC1 34a_100011216366_100009817362 [0,1,0,1,0,0|2,0,0]=4 18558 B15R1.506 CC(=O)CCCCOC(C)C1CCCC1 7a_100011216366_100000735457 [0,1,0,1,0,0|2,0,0]=4 18559 B15R1.506 CC(=O)NCCCNC(C)C1CCCC1 269862a_100000736810_100000749594 [0,1,0,1,0,0|2,0,0]=4 18560 B15R1.506 CC(=O)NCCCNC(C)C1CCCC1 270004a_100000736810_100000749594 [0,1,0,1,0,0|2,0,0]=4 18561 B15R1.506 CC(=O)OCCCCC(=O)C1CCCC1 1458a_100000210718_100000033659 [0,1,0,1,0,0|0,0,1]=3 18562 B15R1.506 CC(=O)OCCCCC(=O)C1CCCS1 1458a_100012002731_100000033659 [0,1,0,1,0,0|1,0,1]=4 18563 B15R1.506 CC(=O)OCCCCC(=O)C1CCOC1 1458a_100011219752_100000033659 [0,1,0,1,0,0|1,0,1]=4 18564 B15R1.506 CC(=O)OCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000033659 [0,1,0,1,0,0|1,0,1]=4 18565 B15R1.506 CC(=O)OCCCCN(C)C1CCCC1 269982a_100000207505_100000033659 [0,1,0,1,0,0|1,0,0]=3 18566 B15R1.506 CC(=O)OCCCCN(C)C1CCCC1 34a_100000207505_100000033659 [0,1,0,1,0,0|1,0,0]=3 18567 B15R1.506 CC(=O)OCCCCN(C)C1CCOC1 269982a_100016988252_100000033659 [0,1,0,1,0,0|2,0,0]=4 18568 B15R1.506 CC(=O)OCCCCN(C)C1CCOC1 34a_100016988252_100000033659 [0,1,0,1,0,0|2,0,0]=4 18569 B15R1.506 CC(=O)OCCCNC(C)C1CCCC1 34a_100015185923_100000042594 [0,1,0,1,0,0|1,0,0]=3 18570 B15R1.506 CC(=O)OCCCNC(C)C1CCCO1 34a_100025754208_100000042594 [0,1,0,1,0,0|2,0,0]=4 18571 B15R1.506 CC(=O)OCCCOC(C)C1CCCC1 34a_100011216366_100000042594 [0,1,0,1,0,0|1,0,0]=3 18572 B15R1.506 CC(=O)OCCCOC(C)C1CCCC1 7a_100011216366_100000042594 [0,1,0,1,0,0|1,0,0]=3 18573 B15R1.506 CC(=O)OCCOCN(C)C1CCCC1 269982a_100000207505_100000076355 [0,1,0,1,0,0|2,0,0]=4 18574 B15R1.506 CC(=O)OCCOCN(C)C1CCCC1 34a_100000207505_100000076355 [0,1,0,1,0,0|2,0,0]=4 18575 B15R1.506 CC(=O)OCCSCC(C)N1CCCC1 62a_100009814007_200015187269 [0,1,0,1,0,0|2,0,0]=4 18576 B15R1.506 CC(=O)OCCSCC(C)N1CCCC1 62a_200015187269_100009814007 [0,1,0,1,0,0|2,0,0]=4 18577 B15R1.506 CC(=O)OCOCCC(C)N1CCCC1 34a_100011935070_100009813279 [0,1,0,1,0,0|2,0,0]=4 18578 B15R1.506 CC(=O)SCCCCC(=O)C1CCCC1 1458a_100000210718_200010402107 [0,1,0,1,0,0|0,1,1]=4 18579 B15R1.506 CC(=O)SCCCCN(C)C1CCCC1 2230a_100000207505_200010402107 [0,1,0,1,0,0|1,1,0]=4 18580 B15R1.506 CC(=O)SCCCCN(C)C1CCCC1 269982a_100000207505_200010402107 [0,1,0,1,0,0|1,1,0]=4 18581 B15R1.506 CC(=O)SCCCCN(C)C1CCCC1 34a_100000207505_200010402107 [0,1,0,1,0,0|1,1,0]=4 18582 B15R1.506 CC(=O)SCCCNC(C)C1CCCC1 2230a_100015185923_100000038929 [0,1,0,1,0,0|1,1,0]=4 18583 B15R1.506 CC(=O)SCCCNC(C)C1CCCC1 34a_100015185923_100000038929 [0,1,0,1,0,0|1,1,0]=4 18584 B15R1.506 CC(=O)SCCCOC(C)C1CCCC1 34a_100011216366_100000038929 [0,1,0,1,0,0|1,1,0]=4 18585 B15R1.506 CC(=O)SCCCOC(C)C1CCCC1 7a_100011216366_100000038929 [0,1,0,1,0,0|1,1,0]=4 18586 B15R1.506 CC(=S)OCCCNC(C)C1CCCC1 2230a_100015185923_200135323944 [0,1,0,1,0,0|1,1,0]=4 18587 B15R1.506 CC(=S)OCCCNC(C)C1CCCC1 34a_100015185923_200135323944 [0,1,0,1,0,0|1,1,0]=4 18588 B15R1.506 CC(=S)OCCCOC(C)C1CCCC1 34a_100011216366_200135323944 [0,1,0,1,0,0|1,1,0]=4 18589 B15R1.506 CC(=S)OCCCOC(C)C1CCCC1 7a_100011216366_200135323944 [0,1,0,1,0,0|1,1,0]=4 18590 B15R1.1163 CC(=O)OCC1CCN(C1)CCCCF 2230a_100000118262_100000729493 [0,1,0,1,0,0|2,0,0]=4 18591 B15R1.1163 CC(=O)OCC1CCN(C1)CCCCF 269982a_100000118262_100000729493 [0,1,0,1,0,0|2,0,0]=4 18592 B15R1.1163 CC(=O)OCC1CCN(C1)CCCCO 2230a_100000118262_100000210776 [0,1,0,1,0,0|2,0,0]=4 18593 B15R1.1163 CC(=O)OCC1CCN(C1)CCCCO 269982a_100000118262_100000210776 [0,1,0,1,0,0|2,0,0]=4 18594 B15R1.1163 CCCCCN1CCC(C1)COC(=O)C 2230a_100000118262_100000210326 [0,1,0,1,0,0|1,0,0]=3 18595 B15R1.1163 CCCCCN1CCC(C1)COC(=O)C 269982a_100000118262_100000210215 [0,1,0,1,0,0|1,0,0]=3 18596 B15R1.1163 CCCOCC1CCN(C1)COC(=O)C 269982a_200011652792_100000076356 [0,1,0,1,0,0|2,0,0]=4 18597 B15R1.1163 CCCOCC1CCN(C1)COC(=O)C 34a_200011652792_100009813279 [0,1,0,1,0,0|2,0,0]=4 18598 B15R1.1163 CCOCCN1CCC(C1)COC(=O)C 2230a_100000118262_100011215890 [0,1,0,1,0,0|2,0,0]=4 18599 B15R1.1163 CCOCCN1CCC(C1)COC(=O)C 269982a_100000118262_100011215890 [0,1,0,1,0,0|2,0,0]=4 18600 B15R1.1163 CCSCCN1CCC(C1)COC(=O)C 2230a_100000118262_100000757381 [0,1,0,1,0,0|2,0,0]=4 18601 B15R1.1163 CCSCCN1CCC(C1)COC(=O)C 269982a_100000118262_100000757381 [0,1,0,1,0,0|2,0,0]=4 18602 B15R1.1163 COCCCN1CCC(C1)COC(=O)C 2230a_100000118262_100000740836 [0,1,0,1,0,0|2,0,0]=4 18603 B15R1.1163 COCCCN1CCC(C1)COC(=O)C 269982a_100000118262_100000740836 [0,1,0,1,0,0|2,0,0]=4 18604 B15R1.1180 CCCCCN1CCCC(C1)NC(=O)C 2230a_106657272119_100000210326 [0,1,0,1,0,0|2,0,0]=4 18605 B15R1.1180 CCCCCN1CCCC(C1)NC(=O)C 269982a_106657272119_100000210215 [0,1,0,1,0,0|2,0,0]=4 18606 B15R1.1405 CCCCCC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_100000210326 [0,1,0,1,0,0|1,0,1]=4 18607 B15R1.3247 CCCCCC(C)N1CCCNC(=O)C1 2230a_100015190381_200011218191 [0,1,0,1,0,0|2,0,0]=4 18608 B15R1.3247 CCCCCC(C)N1CCCNC(=O)C1 270004a_100015190381_100000211708 [0,1,0,1,0,0|2,0,0]=4 18609 B15R1.5877 CC(=O)OCCCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000042594 [0,1,0,1,0,0|2,0,0]=4 18610 B15R1.8290 CC(=O)CCCCN1C(CCCC1C)C 269982a_100000210447_100000735457 [0,1,0,1,0,0|2,0,0]=4 18611 B15R1.8290 CC(=O)CCCCN1C(CCCC1C)C 34a_100000210447_100009817362 [0,1,0,1,0,0|2,0,0]=4 18612 B15R1.8290 CC(=O)CCCOC1C(CCCC1C)C 34a_100011218088_100000685027 [0,1,0,1,0,0|2,0,0]=4 18613 B15R1.8290 CC(=O)CCCOC1C(CCCC1C)C 7a_100011218088_100011215641 [0,1,0,1,0,0|2,0,0]=4 18614 B15R1.8290 CC(=O)NCCNC1C(CCCC1C)C 269862a_100000209853_100000211995 [0,1,0,1,0,0|2,0,0]=4 18615 B15R1.8290 CC(=O)NCCOC1C(CCCC1C)C 7a_100011218088_100000189650 [0,1,0,1,0,0|2,0,0]=4 18616 B15R1.8290 CC(=O)OCCCN1C(CCCC1C)C 269982a_100000210447_100000042594 [0,1,0,1,0,0|1,0,0]=3 18617 B15R1.8290 CC(=O)OCCCN1C(CCCC1C)C 34a_100000210447_100000042594 [0,1,0,1,0,0|1,0,0]=3 18618 B15R1.8290 CC(=O)OCCCN1[C@@H](COC[C@@H]1C)C 269982a_100103153222_100000042594 [0,1,0,1,0,0|2,0,0]=4 18619 B15R1.8290 CC(=O)OCCCN1[C@@H](COC[C@@H]1C)C 34a_100103153222_100000042594 [0,1,0,1,0,0|2,0,0]=4 18620 B15R1.8290 CC(=O)OCCOC1C(CCCC1C)C 34a_100011218088_100009814007 [0,1,0,1,0,0|1,0,0]=3 18621 B15R1.8290 CC(=O)OCCOC1C(CCCC1C)C 7a_100011218088_100009814007 [0,1,0,1,0,0|1,0,0]=3 18622 B15R1.8290 CC(=O)SCCCN1C(CCCC1C)C 2230a_100000210447_100000038929 [0,1,0,1,0,0|1,1,0]=4 18623 B15R1.8290 CC(=O)SCCCN1C(CCCC1C)C 269982a_100000210447_100000038929 [0,1,0,1,0,0|1,1,0]=4 18624 B15R1.8290 CC(=O)SCCCN1C(CCCC1C)C 34a_100000210447_100000038929 [0,1,0,1,0,0|1,1,0]=4 18625 B15R1.8290 CC(=O)SCCNC1C(CCCC1C)C 269862a_100020647217_100000211995 [0,1,0,1,0,0|1,1,0]=4 18626 B15R1.8290 CC(=S)OCCCN1C(CCCC1C)C 2230a_100000210447_200135323944 [0,1,0,1,0,0|1,1,0]=4 18627 B15R1.8290 CC(=S)OCCCN1C(CCCC1C)C 269982a_100000210447_200135323944 [0,1,0,1,0,0|1,1,0]=4 18628 B15R1.8290 CC(=S)OCCCN1C(CCCC1C)C 34a_100000210447_200135323944 [0,1,0,1,0,0|1,1,0]=4 18629 B15R1.8290 CC1CCCC(C1OCCOC(=O)N)C 34a_100011218088_200011214921 [0,1,0,1,0,0|2,0,0]=4 18630 B15R1.8290 CC1CCCC(C1OCCOC(=O)N)C 7a_100011218088_200011214921 [0,1,0,1,0,0|2,0,0]=4 18631 B15R1.8958 C=C(C)CCNCCC1CCCCCC1 2230a_100011532351_100000730704 [0,1,0,1,0,0|2,0,0]=4 18632 B15R1.8958 C=C(C)CCNCCC1CCCCCC1 34a_100011532351_100000730704 [0,1,0,1,0,0|2,0,0]=4 18633 B15R1.8958 C=C(C)COCCCN1CCCCCC1 34a_100102886287_100000748629 [0,1,0,1,0,0|2,0,0]=4 18634 B15R1.8958 C=C(C)COCCCN1CCCCCC1 7a_100102886287_100000748629 [0,1,0,1,0,0|2,0,0]=4 18635 B15R1.8958 CC(=CCCNCC1CCCCCC1)C 2230a_100015204231_100011217483 [0,1,0,1,0,0|2,0,0]=4 18636 B15R1.8958 CC(=CCCNCC1CCCCCC1)C 34a_100015204231_100011217483 [0,1,0,1,0,0|2,0,0]=4 18637 B15R1.8958 CC(=CCCOCC1CCCCCC1)C 34a_100000699130_100011217483 [0,1,0,1,0,0|2,0,0]=4 18638 B15R1.8958 CC(=CCCOCC1CCCCCC1)C 7a_100000699130_100011217483 [0,1,0,1,0,0|2,0,0]=4 18639 B15R1.8958 CC(=CCCSCC1CCCCCC1)C 62a_100011217483_200000696569 [0,1,0,1,0,0|2,0,0]=4 18640 B15R1.8958 CC(=CCCSCC1CCCCCC1)C 62a_200000696569_100011217483 [0,1,0,1,0,0|2,0,0]=4 18641 B15R1.8958 CC(=CCNCCC1CCCCCC1)C 2230a_100011532351_100000761012 [0,1,0,1,0,0|2,0,0]=4 18642 B15R1.8958 CC(=CCNCCC1CCCCCC1)C 34a_100011532351_100000761012 [0,1,0,1,0,0|2,0,0]=4 18643 B15R1.8958 CC(=O)CCCCNC1CCCCCC1 34a_100000210984_100009817362 [0,1,0,1,0,0|1,0,0]=3 18644 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 34a_100000210887_100009817362 [0,1,0,1,0,0|1,0,0]=3 18645 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000735457 [0,1,0,1,0,0|1,0,0]=3 18646 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100000735457_100011217769 [0,1,0,1,0,0|1,0,0]=3 18647 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000735457 [0,1,0,1,0,0|1,0,0]=3 18648 B15R1.8958 CC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000685027 [0,1,0,1,0,0|1,0,0]=3 18649 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000685027 [0,1,0,1,0,0|1,0,0]=3 18650 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000759063_200000696569 [0,1,0,1,0,0|1,0,0]=3 18651 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011215641 [0,1,0,1,0,0|1,0,0]=3 18652 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000759063_200000696569 [0,1,0,1,0,0|1,0,0]=3 18653 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_100011215641_200000696569 [0,1,0,1,0,0|1,0,0]=3 18654 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_200000696569_100011215641 [0,1,0,1,0,0|1,0,0]=3 18655 B15R1.8958 CC(=O)CCOCCN1CCCCCC1 7a_100000759926_100000722644 [0,1,0,1,0,0|2,0,0]=4 18656 B15R1.8958 CC(=O)CCSCCN1CCCCCC1 62a_100000053229_100000722644 [0,1,0,1,0,0|2,0,0]=4 18657 B15R1.8958 CC(=O)CCSCCN1CCCCCC1 62a_100000722644_100000053229 [0,1,0,1,0,0|2,0,0]=4 18658 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 1626a_100011207362_100015343762 [0,1,0,1,0,0|1,0,0]=3 18659 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 240690a_100011207362_100015343762 [0,1,0,1,0,0|1,0,0]=3 18660 B15R1.8958 CC(=O)NCCCCN1CCCCCC1 527a_100011207362_100103153847 [0,1,0,1,0,0|1,0,0]=3 18661 B15R1.8958 CC(=O)NCCCNC1CCCCCC1 270004a_100000736810_100000210131 [0,1,0,1,0,0|1,0,0]=3 18662 B15R1.8958 CC(=O)NCCCNC1CCCCCC1 34a_100000736810_100011217769 [0,1,0,1,0,0|1,0,0]=3 18663 B15R1.8958 CC(=O)NCCCNC1CCCNCC1 270004a_100000736810_100015187895 [0,1,0,1,0,0|2,0,0]=4 18664 B15R1.8958 CC(=O)NCCCOC1CCCCCC1 34a_100000752032_100011217769 [0,1,0,1,0,0|1,0,0]=3 18665 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 2230a_100000209853_200000696569 [0,1,0,1,0,0|1,0,0]=3 18666 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 2230a_100015204231_100000189650 [0,1,0,1,0,0|1,0,0]=3 18667 B15R1.8958 CC(=O)NCCNCC1CCCCCC1 269862a_100000209853_200000763224 [0,1,0,1,0,0|1,0,0]=3 18668 B15R1.8958 CC(=O)NCCOCC1CCCCCC1 34a_100000158858_200000696569 [0,1,0,1,0,0|1,0,0]=3 18669 B15R1.8958 CC(=O)NCCOCC1CCCCCC1 7a_100000699130_100000189650 [0,1,0,1,0,0|1,0,0]=3 18670 B15R1.8958 CC(=O)NCCSCC1CCCCCC1 62a_100000189650_200000696569 [0,1,0,1,0,0|1,0,0]=3 18671 B15R1.8958 CC(=O)NCCSCC1CCCCCC1 62a_200000696569_100000189650 [0,1,0,1,0,0|1,0,0]=3 18672 B15R1.8958 CC(=O)OCCCCN1CCCCCC1 269982a_100000185865_100000033659 [0,1,0,1,0,0|0,0,0]=2 18673 B15R1.8958 CC(=O)OCCCCN1CCCCCC1 34a_100000185865_100000033659 [0,1,0,1,0,0|0,0,0]=2 18674 B15R1.8958 CC(=O)OCCCCN1CCCOCC1 269982a_100000685342_100000033659 [0,1,0,1,0,0|1,0,0]=3 18675 B15R1.8958 CC(=O)OCCCCN1CCCOCC1 34a_100000685342_100000033659 [0,1,0,1,0,0|1,0,0]=3 18676 B15R1.8958 CC(=O)OCCCNC1CCCCCC1 34a_100000210984_100000042594 [0,1,0,1,0,0|0,0,0]=2 18677 B15R1.8958 CC(=O)OCCCOC1CCCCCC1 34a_100000210887_100000042594 [0,1,0,1,0,0|0,0,0]=2 18678 B15R1.8958 CC(=O)OCCCOC1CCCCCC1 7a_100000210887_100000042594 [0,1,0,1,0,0|0,0,0]=2 18679 B15R1.8958 CC(=O)OCCCSC1CCCCCC1 62a_100000042594_100011217769 [0,1,0,1,0,0|0,0,0]=2 18680 B15R1.8958 CC(=O)OCCCSC1CCCCCC1 62a_100011217769_100000042594 [0,1,0,1,0,0|0,0,0]=2 18681 B15R1.8958 CC(=O)OCCNCC1CCCCCC1 34a_100015204231_100009814007 [0,1,0,1,0,0|0,0,0]=2 18682 B15R1.8958 CC(=O)OCCOCC1CCCCCC1 34a_100000699130_100009814007 [0,1,0,1,0,0|0,0,0]=2 18683 B15R1.8958 CC(=O)OCCOCC1CCCCCC1 7a_100000699130_100009814007 [0,1,0,1,0,0|0,0,0]=2 18684 B15R1.8958 CC(=O)OCCOCC1CNCCOC1 34a_100103147999_100009814007 [0,1,0,1,0,0|2,0,0]=4 18685 B15R1.8958 CC(=O)OCCOCN1CCCCCC1 269982a_100000185865_100000076355 [0,1,0,1,0,0|1,0,0]=3 18686 B15R1.8958 CC(=O)OCCOCN1CCCCCC1 34a_100000185865_100000076355 [0,1,0,1,0,0|1,0,0]=3 18687 B15R1.8958 CC(=O)OCCOCN1CCCOCC1 269982a_100000685342_100000076355 [0,1,0,1,0,0|2,0,0]=4 18688 B15R1.8958 CC(=O)OCCOCN1CCCOCC1 34a_100000685342_100000076355 [0,1,0,1,0,0|2,0,0]=4 18689 B15R1.8958 CC(=O)OCCSCC1CCCCCC1 62a_100009814007_200000696569 [0,1,0,1,0,0|0,0,0]=2 18690 B15R1.8958 CC(=O)OCCSCC1CCCCCC1 62a_200000696569_100009814007 [0,1,0,1,0,0|0,0,0]=2 18691 B15R1.8958 CC(=O)OCNCCC1CCCCCC1 34a_100011532351_100009813279 [0,1,0,1,0,0|0,0,0]=2 18692 B15R1.8958 CC(=O)OCOCCN1CCCCCC1 34a_100000238007_100009813279 [0,1,0,1,0,0|1,0,0]=3 18693 B15R1.8958 CC(=O)OCSCCN1CCCCCC1 62a_100000076356_100000722644 [0,1,0,1,0,0|1,0,0]=3 18694 B15R1.8958 CC(=O)OCSCCN1CCCCCC1 62a_100000722644_100000076356 [0,1,0,1,0,0|1,0,0]=3 18695 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 2230a_100000185865_200010402107 [0,1,0,1,0,0|0,1,0]=3 18696 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 269982a_100000185865_200010402107 [0,1,0,1,0,0|0,1,0]=3 18697 B15R1.8958 CC(=O)SCCCCN1CCCCCC1 34a_100000185865_200010402107 [0,1,0,1,0,0|0,1,0]=3 18698 B15R1.8958 CC(=O)SCCCCN1CCCOCC1 2230a_100000685342_200010402107 [0,1,0,1,0,0|1,1,0]=4 18699 B15R1.8958 CC(=O)SCCCCN1CCCOCC1 269982a_100000685342_200010402107 [0,1,0,1,0,0|1,1,0]=4 18700 B15R1.8958 CC(=O)SCCCCN1CCCOCC1 34a_100000685342_200010402107 [0,1,0,1,0,0|1,1,0]=4 18701 B15R1.8958 CC(=O)SCCCNC1CCCCCC1 2230a_100000210984_100000038929 [0,1,0,1,0,0|0,1,0]=3 18702 B15R1.8958 CC(=O)SCCCNC1CCCCCC1 34a_100000210984_100000038929 [0,1,0,1,0,0|0,1,0]=3 18703 B15R1.8958 CC(=O)SCCCOC1CCCCCC1 34a_100000210887_100000038929 [0,1,0,1,0,0|0,1,0]=3 18704 B15R1.8958 CC(=O)SCCCOC1CCCCCC1 7a_100000210887_100000038929 [0,1,0,1,0,0|0,1,0]=3 18705 B15R1.8958 CC(=O)SCCCSC1CCCCCC1 62a_100000038929_100011217769 [0,1,0,1,0,0|0,1,0]=3 18706 B15R1.8958 CC(=O)SCCCSC1CCCCCC1 62a_100011217769_100000038929 [0,1,0,1,0,0|0,1,0]=3 18707 B15R1.8958 CC(=O)SCCNCC1CCCCCC1 269862a_100020647217_200000763224 [0,1,0,1,0,0|0,1,0]=3 18708 B15R1.8958 CC(=S)OCCCNC1CCCCCC1 2230a_100000210984_200135323944 [0,1,0,1,0,0|0,1,0]=3 18709 B15R1.8958 CC(=S)OCCCNC1CCCCCC1 34a_100000210984_200135323944 [0,1,0,1,0,0|0,1,0]=3 18710 B15R1.8958 CC(=S)OCCCOC1CCCCCC1 34a_100000210887_200135323944 [0,1,0,1,0,0|0,1,0]=3 18711 B15R1.8958 CC(=S)OCCCOC1CCCCCC1 7a_100000210887_200135323944 [0,1,0,1,0,0|0,1,0]=3 18712 B15R1.8958 CC(=S)OCCCSC1CCCCCC1 62a_100011217769_200135323944 [0,1,0,1,0,0|0,1,0]=3 18713 B15R1.8958 CC(=S)OCCCSC1CCCCCC1 62a_200135323944_100011217769 [0,1,0,1,0,0|0,1,0]=3 18714 B15R1.8958 CC(C)OCCCCN1CCCCCC1 34a_100011305542_100000210206 [0,1,0,1,0,0|1,0,1]=4 18715 B15R1.8958 CC(C)OCCCNC1CCCCCC1 270004a_100000737246_100000210131 [0,1,0,1,0,0|1,0,1]=4 18716 B15R1.8958 CC(C)OCCCNC1CCCCCC1 34a_100000737246_100011217769 [0,1,0,1,0,0|1,0,1]=4 18717 B15R1.8958 CC(C)OCCNCC1CCCCCC1 2230a_100000701111_200000696569 [0,1,0,1,0,0|1,0,1]=4 18718 B15R1.8958 CC(C)OCCNCC1CCCCCC1 2230a_100015204231_100000211751 [0,1,0,1,0,0|1,0,1]=4 18719 B15R1.8958 CC(C)OCCNCC1CCCCCC1 269862a_100000701111_200000763224 [0,1,0,1,0,0|1,0,1]=4 18720 B15R1.8958 CC(C)OCCNCC1CCCCCC1 34a_100000701111_200000696569 [0,1,0,1,0,0|1,0,1]=4 18721 B15R1.8958 CC(C)OCCNCC1CCCCCC1 34a_100015204231_100000211751 [0,1,0,1,0,0|1,0,1]=4 18722 B15R1.8958 CC(C)OCCOCC1CCCCCC1 34a_100000211219_200000696569 [0,1,0,1,0,0|1,0,1]=4 18723 B15R1.8958 CC(C)OCCOCC1CCCCCC1 34a_100000699130_100000211751 [0,1,0,1,0,0|1,0,1]=4 18724 B15R1.8958 CC(C)OCCOCC1CCCCCC1 7a_100000211219_200000696569 [0,1,0,1,0,0|1,0,1]=4 18725 B15R1.8958 CC(C)OCCOCC1CCCCCC1 7a_100000699130_100000211751 [0,1,0,1,0,0|1,0,1]=4 18726 B15R1.8958 CC(C)OCCSCC1CCCCCC1 62a_100000211751_200000696569 [0,1,0,1,0,0|1,0,1]=4 18727 B15R1.8958 CC(C)OCCSCC1CCCCCC1 62a_200000696569_100000211751 [0,1,0,1,0,0|1,0,1]=4 18728 B15R1.8958 CC(C)OCNCCC1CCCCCC1 2230a_100011532351_100000709892 [0,1,0,1,0,0|1,0,1]=4 18729 B15R1.8958 CC(C)OCNCCC1CCCCCC1 34a_100011532351_100000709892 [0,1,0,1,0,0|1,0,1]=4 18730 B15R1.8958 CS(=O)CCCNCC1CCCCCC1 2230a_200000753449_200000696569 [0,1,0,1,0,0|2,0,0]=4 18731 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100009817443 [0,1,0,1,0,0|2,0,0]=4 18732 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100009817443 [0,1,0,1,0,0|2,0,0]=4 18733 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 34a_100000185865_100009817443 [0,1,0,1,0,0|2,0,0]=4 18734 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 270004a_100000696515_100000210131 [0,1,0,1,0,0|2,0,0]=4 18735 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 34a_100000696515_100011217769 [0,1,0,1,0,0|2,0,0]=4 18736 B15R1.8958 NC(=O)CCCCOC1CCCCCC1 34a_100012022536_100011217769 [0,1,0,1,0,0|2,0,0]=4 18737 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 269862a_100000739312_200000763224 [0,1,0,1,0,0|2,0,0]=4 18738 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100000739312_200000696569 [0,1,0,1,0,0|2,0,0]=4 18739 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100015204231_100102525003 [0,1,0,1,0,0|2,0,0]=4 18740 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 34a_100000699130_100102525003 [0,1,0,1,0,0|2,0,0]=4 18741 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 7a_100000699130_100102525003 [0,1,0,1,0,0|2,0,0]=4 18742 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_100102525003_200000696569 [0,1,0,1,0,0|2,0,0]=4 18743 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_200000696569_100102525003 [0,1,0,1,0,0|2,0,0]=4 18744 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000744528 [0,1,0,1,0,0|2,0,0]=4 18745 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000731001 [0,1,0,1,0,0|2,0,0]=4 18746 B15R1.8958 NC(=O)COCCCN1CCCCCC1 34a_100102886287_100000187820 [0,1,0,1,0,0|2,0,0]=4 18747 B15R1.8958 NC(=O)COCCCN1CCCCCC1 7a_100102886287_100000187820 [0,1,0,1,0,0|2,0,0]=4 18748 B15R1.8958 NC(=O)COCCNC1CCCCCC1 2230a_100000210984_100000076697 [0,1,0,1,0,0|2,0,0]=4 18749 B15R1.8958 NC(=O)COCCNC1CCCCCC1 34a_100000210984_100000076697 [0,1,0,1,0,0|2,0,0]=4 18750 B15R1.8958 NC(=O)COCCOC1CCCCCC1 34a_100000210887_100000076697 [0,1,0,1,0,0|2,0,0]=4 18751 B15R1.8958 NC(=O)COCCOC1CCCCCC1 7a_100000210887_100000076697 [0,1,0,1,0,0|2,0,0]=4 18752 B15R1.8958 NC(=O)COCCSC1CCCCCC1 62a_100000076697_100011217769 [0,1,0,1,0,0|2,0,0]=4 18753 B15R1.8958 NC(=O)COCCSC1CCCCCC1 62a_100011217769_100000076697 [0,1,0,1,0,0|2,0,0]=4 18754 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 2230a_100015204231_200000034859 [0,1,0,1,0,0|2,0,0]=4 18755 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 269862a_100020590234_200000763224 [0,1,0,1,0,0|2,0,0]=4 18756 B15R1.8958 NC(=O)NCCNCC1CCCCCC1 34a_100020590234_200000696569 [0,1,0,1,0,0|2,0,0]=4 18757 B15R1.8958 NC(=O)NCCOCC1CCCCCC1 34a_100000181757_200000696569 [0,1,0,1,0,0|2,0,0]=4 18758 B15R1.8958 NC(=O)NCCOCC1CCCCCC1 7a_100000699130_200000034859 [0,1,0,1,0,0|2,0,0]=4 18759 B15R1.8958 NC(=O)NCCSCC1CCCCCC1 62a_200000034859_200000696569 [0,1,0,1,0,0|2,0,0]=4 18760 B15R1.8958 NC(=O)NCCSCC1CCCCCC1 62a_200000696569_200000034859 [0,1,0,1,0,0|2,0,0]=4 18761 B15R1.8958 NC(=O)OCCNCC1CCCCCC1 34a_100015204231_200011214921 [0,1,0,1,0,0|1,0,0]=3 18762 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 34a_100000699130_200011214921 [0,1,0,1,0,0|1,0,0]=3 18763 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 7a_100000699130_200011214921 [0,1,0,1,0,0|1,0,0]=3 18764 B15R1.8958 NC(=O)OCCOCC1CCCCCC1 7a_100000766696_200000696569 [0,1,0,1,0,0|1,0,0]=3 18765 B15R1.8958 NC(=O)OCCSCC1CCCCCC1 62a_200000696569_200011214921 [0,1,0,1,0,0|1,0,0]=3 18766 B15R1.8958 NC(=O)OCCSCC1CCCCCC1 62a_200011214921_200000696569 [0,1,0,1,0,0|1,0,0]=3 18767 B15R1.8958 O=C(O)COCCNC1CCCCCC1 269956a_100000700818_100011217769 [0,1,0,1,0,0|2,0,0]=4 18768 B15R1.8958 O=C([O-])COCCCN1CCCCCC1 34a_100102886287_100020667443 [0,1,0,1,0,0|2,0,0]=4 18769 B15R1.8958 O=[N+]([O-])OCCCCN1CCCCCC1 269982a_100000185865_100015694321 [0,1,0,1,0,0|2,0,0]=4 18770 B15R1.8958 O=[N+]([O-])OCCCCN1CCCCCC1 34a_100000185865_100015694321 [0,1,0,1,0,0|2,0,0]=4 18771 B15R1.9022 CC(=O)OCCCCC(=O)CC1CCC1 1458a_100000763092_100000033659 [0,1,0,1,0,0|0,0,1]=3 18772 B15R1.9022 CC(=O)OCCCCC(=O)CC1COC1 1458a_100000687760_100000033659 [0,1,0,1,0,0|1,0,1]=4 18773 B15R1.9022 CC(=O)OCCCCN(C)CC1CCC1 269982a_200000750244_100000033659 [0,1,0,1,0,0|1,0,0]=3 18774 B15R1.9022 CC(=O)OCCCCN(C)CC1CCC1 34a_200000750244_100000033659 [0,1,0,1,0,0|1,0,0]=3 18775 B15R1.9022 CC(=O)OCCOCN(C)CC1CCC1 269982a_200000750244_100000076355 [0,1,0,1,0,0|2,0,0]=4 18776 B15R1.9022 CC(=O)OCCOCN(C)CC1CCC1 34a_200000750244_100000076355 [0,1,0,1,0,0|2,0,0]=4 18777 B15R1.9022 CC(=O)SCCCCC(=O)CC1CCC1 1458a_100000763092_200010402107 [0,1,0,1,0,0|0,1,1]=4 18778 B15R1.9022 CC(=O)SCCCCN(C)CC1CCC1 2230a_200000750244_200010402107 [0,1,0,1,0,0|1,1,0]=4 18779 B15R1.9022 CC(=O)SCCCCN(C)CC1CCC1 269982a_200000750244_200010402107 [0,1,0,1,0,0|1,1,0]=4 18780 B15R1.9022 CC(=O)SCCCCN(C)CC1CCC1 34a_200000750244_200010402107 [0,1,0,1,0,0|1,1,0]=4 18781 B15R1.9023 CC(=O)OCCCCC(=O)CCC1CC1 1458a_100000756386_100000033659 [0,1,0,1,0,0|0,0,1]=3 18782 B15R1.9023 CC(=O)SCCCCC(=O)CCC1CC1 1458a_100000756386_200010402107 [0,1,0,1,0,0|0,1,1]=4 18783 B15R1.13123 CCC1CC1C(=O)CCCCOC(=O)C 1458a_200011661523_100000033659 [0,1,0,1,0,0|0,0,1]=3 18784 B15R1.13123 CCC1CC1C(=O)CCCCSC(=O)C 1458a_200011661523_200010402107 [0,1,0,1,0,0|0,1,1]=4 18785 B15R1.31280 CC(=O)CCCCNC1(CCCCC1)C 34a_100000741114_100009817362 [0,1,0,1,0,0|2,0,0]=4 18786 B15R1.31280 CC(=O)CCCCOC1(CCCCC1)C 34a_100011215885_100009817362 [0,1,0,1,0,0|2,0,0]=4 18787 B15R1.31280 CC(=O)CCCCOC1(CCCCC1)C 7a_100011215885_100000735457 [0,1,0,1,0,0|2,0,0]=4 18788 B15R1.31280 CC(=O)CCCNCC1(CCCCC1)C 34a_100000706052_100000685027 [0,1,0,1,0,0|2,0,0]=4 18789 B15R1.31280 CC(=O)CCCNCC1(CCCCC1)O 34a_100000748649_100000685027 [0,1,0,1,0,0|2,0,0]=4 18790 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)C 34a_100000688186_100000685027 [0,1,0,1,0,0|2,0,0]=4 18791 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)C 7a_100000688186_100011215641 [0,1,0,1,0,0|2,0,0]=4 18792 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)F 34a_100000090305_100000685027 [0,1,0,1,0,0|2,0,0]=4 18793 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)F 7a_100000090305_100011215641 [0,1,0,1,0,0|2,0,0]=4 18794 B15R1.31280 CC(=O)CCCOCC1(CCCCC1)N 34a_100000740034_100000685027 [0,1,0,1,0,0|2,0,0]=4 18795 B15R1.31280 CC(=O)NCCNCC1(CCCCC1)C 2230a_100000706052_100000189650 [0,1,0,1,0,0|2,0,0]=4 18796 B15R1.31280 CC(=O)NCCNCC1(CCCCC1)C 269862a_100000209853_100011935227 [0,1,0,1,0,0|2,0,0]=4 18797 B15R1.31280 CC(=O)NCCNCC1(CCCCC1)O 2230a_100000748649_100000189650 [0,1,0,1,0,0|2,0,0]=4 18798 B15R1.31280 CC(=O)NCCOCC1(CCCCC1)C 7a_100000688186_100000189650 [0,1,0,1,0,0|2,0,0]=4 18799 B15R1.31280 CC(=O)NCCOCC1(CCCCC1)F 7a_100000090305_100000189650 [0,1,0,1,0,0|2,0,0]=4 18800 B15R1.31280 CC(=O)OCCCNC1(CCCCC1)C 34a_100000741114_100000042594 [0,1,0,1,0,0|1,0,0]=3 18801 B15R1.31280 CC(=O)OCCCNC1(CCOCC1)C 34a_100000692449_100000042594 [0,1,0,1,0,0|2,0,0]=4 18802 B15R1.31280 CC(=O)OCCCOC1(CCCCC1)C 34a_100011215885_100000042594 [0,1,0,1,0,0|1,0,0]=3 18803 B15R1.31280 CC(=O)OCCCOC1(CCCCC1)C 7a_100011215885_100000042594 [0,1,0,1,0,0|1,0,0]=3 18804 B15R1.31280 CC(=O)OCCCOC1(CCOCC1)C 34a_100011827762_100000042594 [0,1,0,1,0,0|2,0,0]=4 18805 B15R1.31280 CC(=O)OCCCOC1(CCOCC1)C 7a_100011827762_100000042594 [0,1,0,1,0,0|2,0,0]=4 18806 B15R1.31280 CC(=O)OCCCOC1(CCSCC1)C 34a_200011004327_100000042594 [0,1,0,1,0,0|2,0,0]=4 18807 B15R1.31280 CC(=O)OCCCOC1(CCSCC1)C 7a_200011004327_100000042594 [0,1,0,1,0,0|2,0,0]=4 18808 B15R1.31280 CC(=O)OCCNCC1(CCCCC1)C 34a_100000706052_100009814007 [0,1,0,1,0,0|1,0,0]=3 18809 B15R1.31280 CC(=O)OCCNCC1(CCCCC1)O 34a_100000748649_100009814007 [0,1,0,1,0,0|1,0,0]=3 18810 B15R1.31280 CC(=O)OCCNCC1(CCOCC1)C 34a_100000695556_100009814007 [0,1,0,1,0,0|2,0,0]=4 18811 B15R1.31280 CC(=O)OCCNCC1(CCOCC1)F 34a_100016991512_100009814007 [0,1,0,1,0,0|2,0,0]=4 18812 B15R1.31280 CC(=O)OCCNCC1(CCOCC1)O 34a_100000704115_100009814007 [0,1,0,1,0,0|2,0,0]=4 18813 B15R1.31280 CC(=O)OCCOCC1(CCCCC1)C 34a_100000688186_100009814007 [0,1,0,1,0,0|1,0,0]=3 18814 B15R1.31280 CC(=O)OCCOCC1(CCCCC1)C 7a_100000688186_100009814007 [0,1,0,1,0,0|1,0,0]=3 18815 B15R1.31280 CC(=O)OCCOCC1(CCCCC1)F 34a_100000090305_100009814007 [0,1,0,1,0,0|1,0,0]=3 18816 B15R1.31280 CC(=O)OCCOCC1(CCCCC1)F 7a_100000090305_100009814007 [0,1,0,1,0,0|1,0,0]=3 18817 B15R1.31280 CC(=O)OCCOCC1(CCCCC1)N 34a_100000740034_100009814007 [0,1,0,1,0,0|1,0,0]=3 18818 B15R1.31280 CC(=O)OCCOCC1(CCNCC1)F 34a_100016990393_100009814007 [0,1,0,1,0,0|2,0,0]=4 18819 B15R1.31280 CC(=O)OCCOCC1(CCOCC1)C 34a_100000704393_100009814007 [0,1,0,1,0,0|2,0,0]=4 18820 B15R1.31280 CC(=O)OCCOCC1(CCOCC1)C 7a_100000704393_100009814007 [0,1,0,1,0,0|2,0,0]=4 18821 B15R1.31280 CC(=O)OCCOCC1(CCOCC1)N 34a_100000751404_100009814007 [0,1,0,1,0,0|2,0,0]=4 18822 B15R1.31280 CC(=O)OCNCCC1(CCCCC1)O 34a_100102740465_100009813279 [0,1,0,1,0,0|1,0,0]=3 18823 B15R1.31280 CC(=O)SCCCNC1(CCCCC1)C 2230a_100000741114_100000038929 [0,1,0,1,0,0|1,1,0]=4 18824 B15R1.31280 CC(=O)SCCCNC1(CCCCC1)C 34a_100000741114_100000038929 [0,1,0,1,0,0|1,1,0]=4 18825 B15R1.31280 CC(=O)SCCCOC1(CCCCC1)C 34a_100011215885_100000038929 [0,1,0,1,0,0|1,1,0]=4 18826 B15R1.31280 CC(=O)SCCCOC1(CCCCC1)C 7a_100011215885_100000038929 [0,1,0,1,0,0|1,1,0]=4 18827 B15R1.31280 CC(=O)SCCNCC1(CCCCC1)C 269862a_100020647217_100011935227 [0,1,0,1,0,0|1,1,0]=4 18828 B15R1.31280 CC(=S)OCCCNC1(CCCCC1)C 2230a_100000741114_200135323944 [0,1,0,1,0,0|1,1,0]=4 18829 B15R1.31280 CC(=S)OCCCNC1(CCCCC1)C 34a_100000741114_200135323944 [0,1,0,1,0,0|1,1,0]=4 18830 B15R1.31280 CC(=S)OCCCOC1(CCCCC1)C 34a_100011215885_200135323944 [0,1,0,1,0,0|1,1,0]=4 18831 B15R1.31280 CC(=S)OCCCOC1(CCCCC1)C 7a_100011215885_200135323944 [0,1,0,1,0,0|1,1,0]=4 18832 B15R1.31280 CC1(CCCCC1)CNCCOC(=O)N 34a_100000706052_200011214921 [0,1,0,1,0,0|2,0,0]=4 18833 B15R1.31280 CC1(CCCCC1)COCCOC(=O)N 34a_100000688186_200011214921 [0,1,0,1,0,0|2,0,0]=4 18834 B15R1.31280 CC1(CCCCC1)COCCOC(=O)N 7a_100000688186_200011214921 [0,1,0,1,0,0|2,0,0]=4 18835 B15R1.31280 NC(=O)OCCNCC1(CCCCC1)O 34a_100000748649_200011214921 [0,1,0,1,0,0|2,0,0]=4 18836 B15R1.31280 NC(=O)OCCOCC1(CCCCC1)F 34a_100000090305_200011214921 [0,1,0,1,0,0|2,0,0]=4 18837 B15R1.31280 NC(=O)OCCOCC1(CCCCC1)F 7a_100000090305_200011214921 [0,1,0,1,0,0|2,0,0]=4 18838 B15R1.31280 NC(=O)OCCOCC1(CCCCC1)N 34a_100000740034_200011214921 [0,1,0,1,0,0|2,0,0]=4 18839 B15R1.64 CC(=O)OCCCN1CCCC(C1)CF 269982a_100016992999_100000042594 [0,1,0,1,0,0|2,0,0]=4 18840 B15R1.64 CC(=O)OCCCN1CCCC(C1)CF 34a_100016992999_100000042594 [0,1,0,1,0,0|2,0,0]=4 18841 B15R1.64 CC(=O)OCCCN1CCCC(C1)CO 269982a_100000211344_100000042594 [0,1,0,1,0,0|2,0,0]=4 18842 B15R1.64 CC(=O)OCCCN1CCCC(C1)CO 34a_100000211344_100000042594 [0,1,0,1,0,0|2,0,0]=4 18843 B15R1.64 CC(=O)OCCOC1CCCC(C1)CN 34a_100011254705_100009814007 [0,1,0,1,0,0|2,0,0]=4 18844 B15R1.64 CCC1CCCC(C1)OCCCC(=O)C 7a_100011985506_100011215641 [0,1,0,1,0,0|2,0,0]=4 18845 B15R1.64 CCC1CCCC(C1)OCCNC(=O)C 7a_100011985506_100000189650 [0,1,0,1,0,0|2,0,0]=4 18846 B15R1.64 CCC1CCCC(C1)OCCOC(=O)C 7a_100011985506_100009814007 [0,1,0,1,0,0|1,0,0]=3 18847 B15R1.64 CCC1CCCC(C1)OCCOC(=O)N 7a_100011985506_200011214921 [0,1,0,1,0,0|2,0,0]=4 18848 B15R1.64 CCC1CN(CCO1)CCCOC(=O)C 269982a_100000736320_100000042594 [0,1,0,1,0,0|2,0,0]=4 18849 B15R1.64 CCC1CN(CCO1)CCCOC(=O)C 34a_100000736320_100000042594 [0,1,0,1,0,0|2,0,0]=4 18850 B15R1.64 COC1CCCN(C1)CCCOC(=O)C 269982a_100000695604_100000042594 [0,1,0,1,0,0|2,0,0]=4 18851 B15R1.64 COC1CCCN(C1)CCCOC(=O)C 34a_100000695604_100000042594 [0,1,0,1,0,0|2,0,0]=4 18852 B15R1.123 CC(=O)CCCNC1CCCC(C1C)C 34a_100000211273_100000685027 [0,1,0,1,0,0|2,0,0]=4 18853 B15R1.123 CC(=O)CCCOC1CCCC(C1C)C 34a_100011217532_100000685027 [0,1,0,1,0,0|2,0,0]=4 18854 B15R1.123 CC(=O)CCCOC1CCCC(C1C)C 7a_100011217532_100011215641 [0,1,0,1,0,0|2,0,0]=4 18855 B15R1.123 CC(=O)NCCNC1CCCC(C1C)C 2230a_100000211273_100000189650 [0,1,0,1,0,0|2,0,0]=4 18856 B15R1.123 CC(=O)NCCOC1CCCC(C1C)C 7a_100011217532_100000189650 [0,1,0,1,0,0|2,0,0]=4 18857 B15R1.123 CC(=O)OCCNC1CCCC(C1C)C 34a_100000211273_100009814007 [0,1,0,1,0,0|1,0,0]=3 18858 B15R1.123 CC(=O)OCCOC1CCCC(C1C)C 34a_100011217532_100009814007 [0,1,0,1,0,0|1,0,0]=3 18859 B15R1.123 CC(=O)OCCOC1CCCC(C1C)C 7a_100011217532_100009814007 [0,1,0,1,0,0|1,0,0]=3 18860 B15R1.123 CC1CCCC(C1C)NCCOC(=O)N 34a_100000211273_200011214921 [0,1,0,1,0,0|2,0,0]=4 18861 B15R1.123 CC1CCCC(C1C)OCCOC(=O)N 34a_100011217532_200011214921 [0,1,0,1,0,0|2,0,0]=4 18862 B15R1.123 CC1CCCC(C1C)OCCOC(=O)N 7a_100011217532_200011214921 [0,1,0,1,0,0|2,0,0]=4 18863 B15R1.259 CC(=O)OCCCCCSC1CCC1=O 62a_100000033007_100009892977 [0,1,0,1,0,0|1,0,1]=4 18864 B15R1.259 CC(=O)OCCCCCSC1CCC1=O 62a_100009892977_100000033007 [0,1,0,1,0,0|1,0,1]=4 18865 B15R1.259 CC(=O)OCCCSCCC1CCC1=O 62a_100000042594_200016118888 [0,1,0,1,0,0|1,0,1]=4 18866 B15R1.259 CC(=O)OCCCSCCC1CCC1=O 62a_200016118888_100000042594 [0,1,0,1,0,0|1,0,1]=4 18867 B15R1.871 C=C1CCC(CC1)COCCOC(=O)C 34a_100000074039_100009814007 [0,1,0,1,0,0|1,0,1]=4 18868 B15R1.871 C=C1CCN(CC1)CCCCOC(=O)C 269982a_100000752442_100000033659 [0,1,0,1,0,0|1,0,1]=4 18869 B15R1.871 C=C1CCN(CC1)CCCCOC(=O)C 34a_100000752442_100000033659 [0,1,0,1,0,0|1,0,1]=4 18870 B15R1.871 CC(=O)CCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009817362 [0,1,0,1,0,0|2,0,0]=4 18871 B15R1.871 CC(=O)CCCCOC1CCC(CC1)C 34a_100000210714_100009817362 [0,1,0,1,0,0|2,0,0]=4 18872 B15R1.871 CC(=O)CCCCOC1CCC(CC1)C 7a_100000210714_100000735457 [0,1,0,1,0,0|2,0,0]=4 18873 B15R1.871 CC(=O)CCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100009817362 [0,1,0,1,0,0|2,0,0]=4 18874 B15R1.871 CC(=O)CCCCSC1CCC(CC1)C 62a_100000735457_200011216234 [0,1,0,1,0,0|2,0,0]=4 18875 B15R1.871 CC(=O)CCCNCC1CCC(CC1)C 34a_103436935547_100000685027 [0,1,0,1,0,0|2,0,0]=4 18876 B15R1.871 CC(=O)CCCOCC1CCC(CC1)C 34a_100000701341_100000685027 [0,1,0,1,0,0|2,0,0]=4 18877 B15R1.871 CC(=O)CCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000685027 [0,1,0,1,0,0|2,0,0]=4 18878 B15R1.871 CC(=O)NCCCCN1CCC(CC1)C 240690a_100000740174_100015343762 [0,1,0,1,0,0|2,0,0]=4 18879 B15R1.871 CC(=O)NCCCCN1CCC(CC1)C 527a_100000740174_100103153847 [0,1,0,1,0,0|2,0,0]=4 18880 B15R1.871 CC(=O)NCCCNC1CCC(CC1)C 270004a_100000736810_100000185489 [0,1,0,1,0,0|2,0,0]=4 18881 B15R1.871 CC(=O)NCCCNC1CCC(CC1)C 34a_100000736810_200011216234 [0,1,0,1,0,0|2,0,0]=4 18882 B15R1.871 CC(=O)NCCCNC1CCC(CC1)O 270004a_100000736810_100000764474 [0,1,0,1,0,0|2,0,0]=4 18883 B15R1.871 CC(=O)NCCCOC1CCC(CC1)C 34a_100000752032_200011216234 [0,1,0,1,0,0|2,0,0]=4 18884 B15R1.871 CC(=O)NCCNCC1CCC(CC1)C 2230a_103436935547_100000189650 [0,1,0,1,0,0|2,0,0]=4 18885 B15R1.871 CC(=O)OCCCCN1CCC(CC1)C 269982a_100000188429_100000033659 [0,1,0,1,0,0|1,0,0]=3 18886 B15R1.871 CC(=O)OCCCCN1CCC(CC1)C 34a_100000188429_100000033659 [0,1,0,1,0,0|1,0,0]=3 18887 B15R1.871 CC(=O)OCCCCN1CCC(CC1)F 269982a_100015193889_100000033659 [0,1,0,1,0,0|1,0,0]=3 18888 B15R1.871 CC(=O)OCCCCN1CCC(CC1)F 34a_100015193889_100000033659 [0,1,0,1,0,0|1,0,0]=3 18889 B15R1.871 CC(=O)OCCCCN1CCC(CC1)O 269982a_100025773856_100000033659 [0,1,0,1,0,0|1,0,0]=3 18890 B15R1.871 CC(=O)OCCCCN1CCN(CC1)C 269982a_100000188432_100000033659 [0,1,0,1,0,0|2,0,0]=4 18891 B15R1.871 CC(=O)OCCCCN1CCS(=O)CC1 269982a_100000752083_100000033659 [0,1,0,1,0,0|2,0,0]=4 18892 B15R1.871 CC(=O)OCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000042594 [0,1,0,1,0,0|1,0,0]=3 18893 B15R1.871 CC(=O)OCCCOC1CCC(=O)CC1 34a_100000764474_100000042594 [0,1,0,1,0,0|1,0,1]=4 18894 B15R1.871 CC(=O)OCCCOC1CCC(=O)CC1 7a_100000764474_100000042594 [0,1,0,1,0,0|1,0,1]=4 18895 B15R1.871 CC(=O)OCCCOC1CCC(CC1)C 34a_100000210714_100000042594 [0,1,0,1,0,0|1,0,0]=3 18896 B15R1.871 CC(=O)OCCCOC1CCC(CC1)C 7a_100000210714_100000042594 [0,1,0,1,0,0|1,0,0]=3 18897 B15R1.871 CC(=O)OCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000042594 [0,1,0,1,0,0|1,0,0]=3 18898 B15R1.871 CC(=O)OCCCSC1CCC(CC1)C 62a_100000042594_200011216234 [0,1,0,1,0,0|1,0,0]=3 18899 B15R1.871 CC(=O)OCCCSC1CCN(CC1)C 62a_100000042594_100011215917 [0,1,0,1,0,0|2,0,0]=4 18900 B15R1.871 CC(=O)OCCNCC1CCC(CC1)C 34a_103436935547_100009814007 [0,1,0,1,0,0|1,0,0]=3 18901 B15R1.871 CC(=O)OCCOCC1CCC(=O)CC1 34a_100000062911_100009814007 [0,1,0,1,0,0|1,0,1]=4 18902 B15R1.871 CC(=O)OCCOCC1CCC(CC1)C 34a_100000701341_100009814007 [0,1,0,1,0,0|1,0,0]=3 18903 B15R1.871 CC(=O)OCCOCN1CCC(CC1)C 269982a_100000188429_100000076355 [0,1,0,1,0,0|2,0,0]=4 18904 B15R1.871 CC(=O)OCCOCN1CCC(CC1)C 34a_100000188429_100000076355 [0,1,0,1,0,0|2,0,0]=4 18905 B15R1.871 CC(=O)OCCOCN1CCC(CC1)F 269982a_100015193889_100000076355 [0,1,0,1,0,0|2,0,0]=4 18906 B15R1.871 CC(=O)OCCOCN1CCC(CC1)F 34a_100015193889_100000076355 [0,1,0,1,0,0|2,0,0]=4 18907 B15R1.871 CC(=O)OCCOCN1CCC(CC1)O 269982a_100025773856_100000076355 [0,1,0,1,0,0|2,0,0]=4 18908 B15R1.871 CC(=O)OCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100009814007 [0,1,0,1,0,0|1,0,0]=3 18909 B15R1.871 CC(=O)OCCSCC1CCN(CC1)C 62a_100009814007_100015183002 [0,1,0,1,0,0|2,0,0]=4 18910 B15R1.871 CC(=O)OCCSCC1CCN(CC1)C 62a_100015183002_100009814007 [0,1,0,1,0,0|2,0,0]=4 18911 B15R1.871 CC(=O)OCNCCC1CCC(CC1)O 34a_200011935226_100009813279 [0,1,0,1,0,0|1,0,0]=3 18912 B15R1.871 CC(=O)OCOCCC1CCC(CC1)N 34a_100000070672_100009813279 [0,1,0,1,0,0|1,0,0]=3 18913 B15R1.871 CC(=O)SCCCCN1CCC(CC1)C 2230a_100000188429_200010402107 [0,1,0,1,0,0|1,1,0]=4 18914 B15R1.871 CC(=O)SCCCCN1CCC(CC1)C 269982a_100000188429_200010402107 [0,1,0,1,0,0|1,1,0]=4 18915 B15R1.871 CC(=O)SCCCCN1CCC(CC1)C 34a_100000188429_200010402107 [0,1,0,1,0,0|1,1,0]=4 18916 B15R1.871 CC(=O)SCCCCN1CCC(CC1)F 2230a_100015193889_200010402107 [0,1,0,1,0,0|1,1,0]=4 18917 B15R1.871 CC(=O)SCCCCN1CCC(CC1)F 269982a_100015193889_200010402107 [0,1,0,1,0,0|1,1,0]=4 18918 B15R1.871 CC(=O)SCCCCN1CCC(CC1)F 34a_100015193889_200010402107 [0,1,0,1,0,0|1,1,0]=4 18919 B15R1.871 CC(=O)SCCCCN1CCC(CC1)O 2230a_100025773856_200010402107 [0,1,0,1,0,0|1,1,0]=4 18920 B15R1.871 CC(=O)SCCCCN1CCC(CC1)O 269982a_100025773856_200010402107 [0,1,0,1,0,0|1,1,0]=4 18921 B15R1.871 CC(=O)SCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000038929 [0,1,0,1,0,0|1,1,0]=4 18922 B15R1.871 CC(=O)SCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000038929 [0,1,0,1,0,0|1,1,0]=4 18923 B15R1.871 CC(=O)SCCCOC1CCC(CC1)C 34a_100000210714_100000038929 [0,1,0,1,0,0|1,1,0]=4 18924 B15R1.871 CC(=O)SCCCOC1CCC(CC1)C 7a_100000210714_100000038929 [0,1,0,1,0,0|1,1,0]=4 18925 B15R1.871 CC(=O)SCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000038929 [0,1,0,1,0,0|1,1,0]=4 18926 B15R1.871 CC(=O)SCCCSC1CCC(CC1)C 62a_100000038929_200011216234 [0,1,0,1,0,0|1,1,0]=4 18927 B15R1.871 CC(=S)OCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200135323944 [0,1,0,1,0,0|1,1,0]=4 18928 B15R1.871 CC(=S)OCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200135323944 [0,1,0,1,0,0|1,1,0]=4 18929 B15R1.871 CC(=S)OCCCOC1CCC(CC1)C 34a_100000210714_200135323944 [0,1,0,1,0,0|1,1,0]=4 18930 B15R1.871 CC(=S)OCCCOC1CCC(CC1)C 7a_100000210714_200135323944 [0,1,0,1,0,0|1,1,0]=4 18931 B15R1.871 CC(=S)OCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_200135323944 [0,1,0,1,0,0|1,1,0]=4 18932 B15R1.871 CC(=S)OCCCSC1CCC(CC1)C 62a_200135323944_200011216234 [0,1,0,1,0,0|1,1,0]=4 18933 B15R1.871 CC1CCC(CC1)CNCCOC(=O)N 34a_103436935547_200011214921 [0,1,0,1,0,0|2,0,0]=4 18934 B15R1.871 CC1CCC(CC1)COCCOC(=O)N 34a_100000701341_200011214921 [0,1,0,1,0,0|2,0,0]=4 18935 B15R1.871 NC(=O)OCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200011214921 [0,1,0,1,0,0|2,0,0]=4 18936 B15R1.961 CCC(C)CCCOC[C@H]1COC(=O)N1 7a_100011216074_100015307671 [0,1,0,1,0,0|2,0,0]=4 18937 B15R1.1101 COC(=O)CCCCCOCC1CC1C 34a_100000744939_100009816466 [0,1,0,1,0,0|2,0,0]=4 18938 B15R1.1101 COC(=O)CCCCCOCC1CC1C 7a_100000744939_100009816466 [0,1,0,1,0,0|2,0,0]=4 18939 B15R1.3181 CCC(C)COC[C@H]1CCCN1C(=O)C 34a_100012242843_100000748023 [0,1,0,1,0,0|2,0,0]=4 18940 B15R1.3181 CCC(C)COC[C@H]1CCCN1C(=O)C 7a_100012242843_100000748023 [0,1,0,1,0,0|2,0,0]=4 18941 B15R1.3181 CCC(O)COC[C@H]1CCCN1C(=O)C 34a_100012242843_100011218378 [0,1,0,1,0,0|2,0,0]=4 18942 B15R1.3181 CCC(O)COC[C@H]1CCCN1C(=O)C 7a_100012242843_100011218378 [0,1,0,1,0,0|2,0,0]=4 18943 B15R1.3181 CC[C@H](C)COC[C@H]1CCCN1C(=O)C 34a_100012242843_100009816398 [0,1,0,1,0,0|2,0,0]=4 18944 B15R1.3181 CC[C@H](C)COC[C@H]1CCCN1C(=O)C 7a_100012242843_100009816398 [0,1,0,1,0,0|2,0,0]=4 18945 B15R1.6612 CC(=O)CCCCN1CCCC(CC1)C 269982a_100025706717_100000735457 [0,1,0,1,0,0|2,0,0]=4 18946 B15R1.6612 CC(=O)CCCCN1CCCC(CC1)C 34a_100025706717_100009817362 [0,1,0,1,0,0|2,0,0]=4 18947 B15R1.6612 CC(=O)CCCCN1CCCC(CC1)O 269982a_100015186869_100000735457 [0,1,0,1,0,0|2,0,0]=4 18948 B15R1.6612 CC(=O)OCCCN1CCCC(CC1)C 269982a_100025706717_100000042594 [0,1,0,1,0,0|1,0,0]=3 18949 B15R1.6612 CC(=O)OCCCN1CCCC(CC1)C 34a_100025706717_100000042594 [0,1,0,1,0,0|1,0,0]=3 18950 B15R1.6612 CC(=O)OCCCN1CCCC(CC1)O 269982a_100015186869_100000042594 [0,1,0,1,0,0|1,0,0]=3 18951 B15R1.6612 CC(=O)OCCCN1CCCN(CC1)C 269982a_100000211313_100000042594 [0,1,0,1,0,0|2,0,0]=4 18952 B15R1.6612 CC(=O)SCCCN1CCCC(CC1)C 2230a_100025706717_100000038929 [0,1,0,1,0,0|1,1,0]=4 18953 B15R1.6612 CC(=O)SCCCN1CCCC(CC1)C 269982a_100025706717_100000038929 [0,1,0,1,0,0|1,1,0]=4 18954 B15R1.6612 CC(=O)SCCCN1CCCC(CC1)C 34a_100025706717_100000038929 [0,1,0,1,0,0|1,1,0]=4 18955 B15R1.6612 CC(=O)SCCCN1CCCC(CC1)O 2230a_100015186869_100000038929 [0,1,0,1,0,0|1,1,0]=4 18956 B15R1.6612 CC(=O)SCCCN1CCCC(CC1)O 269982a_100015186869_100000038929 [0,1,0,1,0,0|1,1,0]=4 18957 B15R1.6612 CC(=S)OCCCN1CCCC(CC1)C 2230a_100025706717_200135323944 [0,1,0,1,0,0|1,1,0]=4 18958 B15R1.6612 CC(=S)OCCCN1CCCC(CC1)C 269982a_100025706717_200135323944 [0,1,0,1,0,0|1,1,0]=4 18959 B15R1.6612 CC(=S)OCCCN1CCCC(CC1)C 34a_100025706717_200135323944 [0,1,0,1,0,0|1,1,0]=4 18960 B15R1.6612 CC(=S)OCCCN1CCCC(CC1)O 2230a_100015186869_200135323944 [0,1,0,1,0,0|1,1,0]=4 18961 B15R1.6612 CC(=S)OCCCN1CCCC(CC1)O 269982a_100015186869_200135323944 [0,1,0,1,0,0|1,1,0]=4 18962 B15R1.6703 CC(=O)OCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009813381 [0,1,0,1,0,0|1,0,0]=3 18963 B15R1.6703 CC(=O)OCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000033007 [0,1,0,1,0,0|1,0,0]=3 18964 B15R1.6703 CC(=O)OCCOCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_200000083610 [0,1,0,1,0,0|2,0,0]=4 18965 B15R1.6703 CC(=O)OCCOCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_200000083610 [0,1,0,1,0,0|2,0,0]=4 18966 B15R1.8881 CC(=O)NCCCCCCNC1CCC1 270004a_200011996284_100000241760 [0,1,0,1,0,0|1,0,0]=3 18967 B15R1.8881 CC(=O)NCCCCCCNC1CCC1 34a_200011996284_100000749161 [0,1,0,1,0,0|1,0,0]=3 18968 B15R1.8881 CC(=O)NCCCCCCNC1COC1 34a_200011996284_100009818527 [0,1,0,1,0,0|2,0,0]=4 18969 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 2230a_200012022750_100000763275 [0,1,0,1,0,0|1,0,0]=3 18970 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 269862a_200012022750_100000753134 [0,1,0,1,0,0|1,0,0]=3 18971 B15R1.8881 CC(=O)NCCCCCNCC1CCC1 34a_200012022750_100000763275 [0,1,0,1,0,0|1,0,0]=3 18972 B15R1.8881 CC(=O)NCCCCCNCC1CCO1 2230a_200012022750_100000103362 [0,1,0,1,0,0|2,0,0]=4 18973 B15R1.8881 CC(=O)NCCCCCNCC1CCO1 34a_200012022750_100000103362 [0,1,0,1,0,0|2,0,0]=4 18974 B15R1.8881 CC(=O)NCCCCCNCC1COC1 2230a_200012022750_100010264016 [0,1,0,1,0,0|2,0,0]=4 18975 B15R1.8881 CC(=O)NCCCCCNCC1COC1 34a_200012022750_100010264016 [0,1,0,1,0,0|2,0,0]=4 18976 B15R1.8881 CC(=O)OCCCCCNCC1CCC1 2230a_100000738700_100009813381 [0,1,0,1,0,0|0,0,0]=2 18977 B15R1.8881 CC(=O)OCCCCCNCC1CCC1 34a_100000738700_100000033007 [0,1,0,1,0,0|0,0,0]=2 18978 B15R1.8881 CC(=O)OCCCCCNCC1COC1 2230a_100015281925_100009813381 [0,1,0,1,0,0|1,0,0]=3 18979 B15R1.8881 CC(=O)OCCCCCNCC1COC1 34a_100015281925_100000033007 [0,1,0,1,0,0|1,0,0]=3 18980 B15R1.8881 CC(=O)OCCCCCNC[C@@H]1CCO1 2230a_100020831831_100009813381 [0,1,0,1,0,0|1,0,0]=3 18981 B15R1.8881 CC(=O)OCCCCCNC[C@@H]1CCO1 34a_100020831831_100000033007 [0,1,0,1,0,0|1,0,0]=3 18982 B15R1.8881 CC(=O)OCCCCCOCC1CCC1 34a_100000760304_100000033007 [0,1,0,1,0,0|0,0,0]=2 18983 B15R1.8881 CC(=O)OCCCCCOCC1CCO1 34a_100000039022_100000033007 [0,1,0,1,0,0|1,0,0]=3 18984 B15R1.8881 CC(=O)OCCCCCOCC1CNC1 34a_100016987283_100000033007 [0,1,0,1,0,0|1,0,0]=3 18985 B15R1.8881 CC(=O)OCCCCCOCC1COC1 34a_100000060846_100000033007 [0,1,0,1,0,0|1,0,0]=3 18986 B15R1.8881 CC(=O)OCCCCCSCC1CCC1 62a_100000033007_100000763275 [0,1,0,1,0,0|0,0,0]=2 18987 B15R1.8881 CC(=O)OCCCCCSCC1CCC1 62a_100000763275_100000033007 [0,1,0,1,0,0|0,0,0]=2 18988 B15R1.8881 CC(=O)OCCCCCSCC1CCO1 62a_100000033007_100000103362 [0,1,0,1,0,0|1,0,0]=3 18989 B15R1.8881 CC(=O)OCCCCCSCC1CCO1 62a_100000103362_100000033007 [0,1,0,1,0,0|1,0,0]=3 18990 B15R1.8881 CC(=O)OCCCCCSCC1COC1 62a_100000033007_100010264016 [0,1,0,1,0,0|1,0,0]=3 18991 B15R1.8881 CC(=O)OCCCCCSCC1COC1 62a_100010264016_100000033007 [0,1,0,1,0,0|1,0,0]=3 18992 B15R1.8881 CC(=O)OCCCCOCCC1COC1 34a_100009855314_100000033659 [0,1,0,1,0,0|1,0,0]=3 18993 B15R1.8881 CC(=O)OCCOCCNCC1CCC1 2230a_100000738700_200000083610 [0,1,0,1,0,0|1,0,0]=3 18994 B15R1.8881 CC(=O)OCCOCCNCC1CCC1 34a_100000738700_200000083610 [0,1,0,1,0,0|1,0,0]=3 18995 B15R1.8881 CC(=O)OCCOCCNCC1COC1 2230a_100015281925_200000083610 [0,1,0,1,0,0|2,0,0]=4 18996 B15R1.8881 CC(=O)OCCOCCNCC1COC1 34a_100015281925_200000083610 [0,1,0,1,0,0|2,0,0]=4 18997 B15R1.8881 CC(=O)OCCOCCNC[C@@H]1CCO1 2230a_100020831831_200000083610 [0,1,0,1,0,0|2,0,0]=4 18998 B15R1.8881 CC(=O)OCCOCCNC[C@@H]1CCO1 34a_100020831831_200000083610 [0,1,0,1,0,0|2,0,0]=4 18999 B15R1.8881 CC(=O)OCCOCCOCC1CCC1 34a_100000760304_200000083610 [0,1,0,1,0,0|1,0,0]=3 19000 B15R1.8881 CC(=O)OCCOCCOCC1CCO1 34a_100000039022_200000083610 [0,1,0,1,0,0|2,0,0]=4 19001 B15R1.8881 CC(=O)OCCOCCOCC1CNC1 34a_100016987283_200000083610 [0,1,0,1,0,0|2,0,0]=4 19002 B15R1.8881 CC(=O)OCCOCCOCC1COC1 34a_100000060846_200000083610 [0,1,0,1,0,0|2,0,0]=4 19003 B15R1.8881 CC(=O)OCCOCCSCC1CCC1 62a_100000763275_200000083610 [0,1,0,1,0,0|1,0,0]=3 19004 B15R1.8881 CC(=O)OCCOCCSCC1CCC1 62a_200000083610_100000763275 [0,1,0,1,0,0|1,0,0]=3 19005 B15R1.8881 CC(=O)OCCOCCSCC1CCO1 62a_100000103362_200000083610 [0,1,0,1,0,0|2,0,0]=4 19006 B15R1.8881 CC(=O)OCCOCCSCC1CCO1 62a_200000083610_100000103362 [0,1,0,1,0,0|2,0,0]=4 19007 B15R1.8881 CC(=O)OCCOCCSCC1COC1 62a_100010264016_200000083610 [0,1,0,1,0,0|2,0,0]=4 19008 B15R1.8881 CC(=O)OCCOCCSCC1COC1 62a_200000083610_100010264016 [0,1,0,1,0,0|2,0,0]=4 19009 B15R1.8881 CC(=O)OCCOCOCCC1COC1 34a_100009855314_100000076355 [0,1,0,1,0,0|2,0,0]=4 19010 B15R1.8881 CC(=O)SCCCCCCNC1CCC1 270004a_100000704104_100000241760 [0,1,0,1,0,0|0,1,0]=3 19011 B15R1.8881 CC(=O)SCCCCOCCC1COC1 34a_100009855314_200010402107 [0,1,0,1,0,0|1,1,0]=4 19012 B15R1.11631 C=CC(=O)OCCCCCCNC1CC1 34a_100000212008_100009894100 [0,1,0,1,0,0|1,0,1]=4 19013 B15R1.11631 C=CC(=O)OCCCCCCSC1CC1 62a_100009894100_100000211595 [0,1,0,1,0,0|1,0,1]=4 19014 B15R1.11631 C=CC(=O)OCCCCCOCC1CC1 7a_200011023508_100000742324 [0,1,0,1,0,0|1,0,1]=4 19015 B15R1.11631 COC(=O)CCCCCCCNC1CC1 34a_100000212008_100010004213 [0,1,0,1,0,0|2,0,0]=4 19016 B15R1.11631 COC(=O)CCCCCCCOC1CC1 34a_100011022521_100000211595 [0,1,0,1,0,0|2,0,0]=4 19017 B15R1.11631 COC(=O)CCCCCCCSC1CC1 62a_100010004213_100000211595 [0,1,0,1,0,0|2,0,0]=4 19018 B15R1.11631 COC(=O)CCCCCCNCC1CC1 2230a_100000735609_100009815986 [0,1,0,1,0,0|2,0,0]=4 19019 B15R1.11631 COC(=O)CCCCCCNCC1CC1 34a_100000735609_100009815986 [0,1,0,1,0,0|2,0,0]=4 19020 B15R1.11631 COC(=O)CCCCCCOCC1CC1 34a_100000211283_100009815986 [0,1,0,1,0,0|2,0,0]=4 19021 B15R1.11631 COC(=O)CCCCCCOCC1CC1 34a_100009863599_100000742324 [0,1,0,1,0,0|2,0,0]=4 19022 B15R1.11631 COC(=O)CCCCCCOCC1CC1 7a_100009863599_100000742324 [0,1,0,1,0,0|2,0,0]=4 19023 B15R1.11631 COC(=O)CCCCCCSCC1CC1 62a_100000756562_100009815986 [0,1,0,1,0,0|2,0,0]=4 19024 B15R1.11631 COC(=O)CCCCCCSCC1CC1 62a_100009815986_100000742324 [0,1,0,1,0,0|2,0,0]=4 19025 B15R1.11631 COC(=O)CCCCCNCCC1CC1 34a_100000764129_100009816466 [0,1,0,1,0,0|2,0,0]=4 19026 B15R1.11631 COC(=O)CCCCCOCCC1CC1 34a_100000074720_100000694398 [0,1,0,1,0,0|2,0,0]=4 19027 B15R1.11631 COC(=O)CCCCCOCCC1CC1 34a_100000754188_100009816466 [0,1,0,1,0,0|2,0,0]=4 19028 B15R1.11631 COC(=O)CCCCCOCCC1CC1 7a_100000074720_100000764125 [0,1,0,1,0,0|2,0,0]=4 19029 B15R1.11631 COC(=O)CCCCCOCCC1CC1 7a_100000754188_100009816466 [0,1,0,1,0,0|2,0,0]=4 19030 B15R1.11631 COC(=O)CCCCCSCCC1CC1 62a_100000764125_100009816466 [0,1,0,1,0,0|2,0,0]=4 19031 B15R1.11631 COC(=O)CCCCCSCCC1CC1 62a_100009816466_100000764125 [0,1,0,1,0,0|2,0,0]=4 19032 B15R1.12188 CC(=O)OCCCCCNCC1(CC1)C 2230a_100000766693_100009813381 [0,1,0,1,0,0|1,0,0]=3 19033 B15R1.12188 CC(=O)OCCCCCNCC1(CC1)O 2230a_100011936951_100009813381 [0,1,0,1,0,0|1,0,0]=3 19034 B15R1.12188 CC(=O)OCCCCCOCC1(CC1)C 7a_100000698024_100000033007 [0,1,0,1,0,0|1,0,0]=3 19035 B15R1.12188 CC(=O)OCCCCCOCC1(CC1)F 34a_200000703853_100000033007 [0,1,0,1,0,0|1,0,0]=3 19036 B15R1.12188 CC(=O)OCCCCCOCC1(CC1)F 7a_200000703853_100000033007 [0,1,0,1,0,0|1,0,0]=3 19037 B15R1.12188 CC(=O)OCCCCCSCC1(CO1)C 62a_100000033007_100000760498 [0,1,0,1,0,0|2,0,0]=4 19038 B15R1.12188 CC(=O)OCCCCCSCC1(CO1)C 62a_100000760498_100000033007 [0,1,0,1,0,0|2,0,0]=4 19039 B15R1.12188 CC(=O)OCCOCCNCC1(CC1)C 2230a_100000766693_200000083610 [0,1,0,1,0,0|2,0,0]=4 19040 B15R1.12188 CC(=O)OCCOCCNCC1(CC1)O 2230a_100011936951_200000083610 [0,1,0,1,0,0|2,0,0]=4 19041 B15R1.12188 CC(=O)OCCOCCOCC1(CC1)C 7a_100000698024_200000083610 [0,1,0,1,0,0|2,0,0]=4 19042 B15R1.12188 CC(=O)OCCOCCOCC1(CC1)F 34a_200000703853_200000083610 [0,1,0,1,0,0|2,0,0]=4 19043 B15R1.12188 CC(=O)OCCOCCOCC1(CC1)F 7a_200000703853_200000083610 [0,1,0,1,0,0|2,0,0]=4 19044 B15R1.19417 CC(=O)OCCCN1CCC[C@@]1(C)CO 269982a_100016195882_100000042594 [0,1,0,1,0,0|2,0,0]=4 19045 B15R1.19417 CC(=O)OCCCN1CCC[C@@]1(C)CO 34a_100016195882_100000042594 [0,1,0,1,0,0|2,0,0]=4 19046 B15R1.12 CCCCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210681 [0,1,0,1,0,0|2,0,0]=4 19047 B15R1.12 CCCCCCCNC1CCC(=O)NC1 34a_100000748762_100000210614 [0,1,0,1,0,0|2,0,0]=4 19048 B15R1.12 CCCCCCCOC1CCC(=O)CC1 34a_100000764474_100000210614 [0,1,0,1,0,0|2,0,0]=4 19049 B15R1.12 CCCCCCCOC1CCC(=O)CC1 7a_100000764474_100000210614 [0,1,0,1,0,0|2,0,0]=4 19050 B15R1.12 CCCCCCCOC1CCC(=O)NC1 34a_100000079199_100000210614 [0,1,0,1,0,0|2,0,0]=4 19051 B15R1.12 CCCCCCCOC1CNC(=O)NC1 34a_100000080929_100000210614 [0,1,0,1,0,0|2,0,0]=4 19052 B15R1.12 CCCCCCOCC1CCC(=O)CC1 34a_100000062911_100000210314 [0,1,0,1,0,0|2,0,0]=4 19053 B15R1.22 CCCCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210681 [0,1,0,1,0,0|2,0,0]=4 19054 B15R1.22 CCCCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210681 [0,1,0,1,0,0|2,0,0]=4 19055 B15R1.22 CCCCCCCN1CCNC(=O)C1C 34a_100000750721_100000210614 [0,1,0,1,0,0|2,0,0]=4 19056 B15R1.22 CCCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210326 [0,1,0,1,0,0|2,0,0]=4 19057 B15R1.22 CCCCCNCC1CCCC(=O)N1C 34a_200010383782_100000718602 [0,1,0,1,0,0|2,0,0]=4 19058 B15R1.34 CCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011214924 [0,1,0,1,0,0|1,0,0]=3 19059 B15R1.34 CCCCCCCCCc1nc(no1)C 270196a_100000212224_100000210558 [0,1,0,1,0,0|1,0,1]=4 19060 B15R1.34 CCCCCCCCCc1noc(n1)C 270196a_100011215059_100000070787 [0,1,0,1,0,0|1,0,1]=4 19061 B15R1.34 CCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210759 [0,1,0,1,0,0|1,0,0]=3 19062 B15R1.34 CCCCCCCCNC1COC(=O)O1 34a_100000229939_100000032252 [0,1,0,1,0,0|1,0,0]=3 19063 B15R1.34 CCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210759 [0,1,0,1,0,0|1,0,0]=3 19064 B15R1.34 CCCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210759 [0,1,0,1,0,0|1,0,0]=3 19065 B15R1.34 CCCCCCCCOC1COC(=O)O1 34a_100000210232_100000032252 [0,1,0,1,0,0|1,0,0]=3 19066 B15R1.34 CCCCCCCCSC1COC(=O)O1 62a_100000210759_100000032252 [0,1,0,1,0,0|1,0,0]=3 19067 B15R1.34 CCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210681 [0,1,0,1,0,0|1,0,0]=3 19068 B15R1.34 CCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210614 [0,1,0,1,0,0|1,0,0]=3 19069 B15R1.34 CCCCCCCNCC1CNC(=O)O1 2230a_100000229938_100000181169 [0,1,0,1,0,0|1,0,0]=3 19070 B15R1.34 CCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229938_100015189358 [0,1,0,1,0,0|2,0,0]=4 19071 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210681 [0,1,0,1,0,0|2,0,0]=4 19072 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210614 [0,1,0,1,0,0|2,0,0]=4 19073 B15R1.34 CCCCCCCNC[C@H]1COC(=O)N1 2230a_100000229938_100015307671 [0,1,0,1,0,0|1,0,0]=3 19074 B15R1.34 CCCCCCCOCC1=CC(=O)OC1 34a_100000210272_100000716558 [0,1,0,1,0,0|0,0,2]=4 19075 B15R1.34 CCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210614 [0,1,0,1,0,0|2,0,0]=4 19076 B15R1.34 CCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210614 [0,1,0,1,0,0|1,0,0]=3 19077 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100000210272_100000181169 [0,1,0,1,0,0|1,0,0]=3 19078 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210614 [0,1,0,1,0,0|1,0,0]=3 19079 B15R1.34 CCCCCCCOCC1CNC(=O)O1 7a_100000210272_100000181169 [0,1,0,1,0,0|1,0,0]=3 19080 B15R1.34 CCCCCCCOCC1COC(=O)O1 34a_100000210272_100000073702 [0,1,0,1,0,0|1,0,0]=3 19081 B15R1.34 CCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210272_100015189358 [0,1,0,1,0,0|2,0,0]=4 19082 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 34a_100000210272_100015307671 [0,1,0,1,0,0|1,0,0]=3 19083 B15R1.34 CCCCCCCOC[C@H]1COC(=O)N1 7a_100000210272_100015307671 [0,1,0,1,0,0|1,0,0]=3 19084 B15R1.34 CCCCCCCSCC1=CC(=O)OC1 62a_100000210614_100000716558 [0,1,0,1,0,0|0,0,2]=4 19085 B15R1.34 CCCCCCCSCC1=CC(=O)OC1 62a_100000716558_100000210316 [0,1,0,1,0,0|0,0,2]=4 19086 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210316 [0,1,0,1,0,0|1,0,0]=3 19087 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000210614_100000181169 [0,1,0,1,0,0|1,0,0]=3 19088 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210316 [0,1,0,1,0,0|1,0,0]=3 19089 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000210614_100000073702 [0,1,0,1,0,0|1,0,0]=3 19090 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210614_100015189358 [0,1,0,1,0,0|2,0,0]=4 19091 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210316 [0,1,0,1,0,0|2,0,0]=4 19092 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100000210614_100015307671 [0,1,0,1,0,0|1,0,0]=3 19093 B15R1.34 CCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210316 [0,1,0,1,0,0|1,0,0]=3 19094 B15R1.34 CCCCCCOCCC1COS(=O)O1 7a_100000210259_100009840081 [0,1,0,1,0,0|2,0,0]=4 19095 B15R1.34 CCCCCCSCCC1COS(=O)O1 62a_100000210314_100009840081 [0,1,0,1,0,0|2,0,0]=4 19096 B15R1.34 CCCCCNCCOC1COC(=O)O1 34a_100000224656_100000032252 [0,1,0,1,0,0|2,0,0]=4 19097 B15R1.34 CCCCCOCCOC1COC(=O)O1 34a_100011215259_100000032252 [0,1,0,1,0,0|2,0,0]=4 19098 B15R1.34 CCCCOCCCNC1COC(=O)O1 34a_200000211371_100000032252 [0,1,0,1,0,0|2,0,0]=4 19099 B15R1.34 CCCCOCCCOC1COC(=O)O1 34a_200011215613_100000032252 [0,1,0,1,0,0|2,0,0]=4 19100 B15R1.34 CCCCOCCNCC1CNC(=O)C1 2230a_100016993742_100000743108 [0,1,0,1,0,0|2,0,0]=4 19101 B15R1.34 CCCCOCCNCC1CNC(=O)C1 34a_100016993742_100000743108 [0,1,0,1,0,0|2,0,0]=4 19102 B15R1.34 CCCCOCCOCC1CNC(=O)C1 34a_100016041077_100000743108 [0,1,0,1,0,0|2,0,0]=4 19103 B15R1.34 CCCCOCCOCC1CNC(=O)O1 34a_100000210238_100000181169 [0,1,0,1,0,0|2,0,0]=4 19104 B15R1.34 CCCCOCCOCC1CNC(=O)O1 34a_100011315639_100000743108 [0,1,0,1,0,0|2,0,0]=4 19105 B15R1.34 CCCCOCCOCC1CNC(=O)O1 7a_100000210238_100000181169 [0,1,0,1,0,0|2,0,0]=4 19106 B15R1.34 CCCCOCCOCC1COC(=O)O1 34a_100000210238_100000073702 [0,1,0,1,0,0|2,0,0]=4 19107 B15R1.34 CCCCOCCOC[C@H]1COC(=O)N1 34a_100000210238_100015307671 [0,1,0,1,0,0|2,0,0]=4 19108 B15R1.34 CCCCOCCOC[C@H]1COC(=O)N1 7a_100000210238_100015307671 [0,1,0,1,0,0|2,0,0]=4 19109 B15R1.34 CCCCOCCSCC1CNC(=O)O1 62a_100000181169_100000743108 [0,1,0,1,0,0|2,0,0]=4 19110 B15R1.34 CCCCOCCSCC1CNC(=O)O1 62a_100000743108_100000181169 [0,1,0,1,0,0|2,0,0]=4 19111 B15R1.34 CCCCOCCSCC1COC(=O)O1 62a_100000073702_100000743108 [0,1,0,1,0,0|2,0,0]=4 19112 B15R1.34 CCCCOCCSCC1COC(=O)O1 62a_100000743108_100000073702 [0,1,0,1,0,0|2,0,0]=4 19113 B15R1.34 CCCCOCCSC[C@H]1COC(=O)N1 62a_100000743108_100015307671 [0,1,0,1,0,0|2,0,0]=4 19114 B15R1.34 CCCCOCCSC[C@H]1COC(=O)N1 62a_100015307671_100000743108 [0,1,0,1,0,0|2,0,0]=4 19115 B15R1.34 CCCCSCCNCC1CNC(=O)O1 2230a_100025743550_100000181169 [0,1,0,1,0,0|2,0,0]=4 19116 B15R1.34 CCCCSCCNC[C@H]1COC(=O)N1 2230a_100025743550_100015307671 [0,1,0,1,0,0|2,0,0]=4 19117 B15R1.34 CCCCSCCOCC1CNC(=O)O1 34a_200000230436_100000181169 [0,1,0,1,0,0|2,0,0]=4 19118 B15R1.34 CCCCSCCOCC1CNC(=O)O1 7a_200000230436_100000181169 [0,1,0,1,0,0|2,0,0]=4 19119 B15R1.34 CCCCSCCOCC1COC(=O)O1 34a_200000230436_100000073702 [0,1,0,1,0,0|2,0,0]=4 19120 B15R1.34 CCCCSCCOC[C@H]1COC(=O)N1 34a_200000230436_100015307671 [0,1,0,1,0,0|2,0,0]=4 19121 B15R1.34 CCCCSCCOC[C@H]1COC(=O)N1 7a_200000230436_100015307671 [0,1,0,1,0,0|2,0,0]=4 19122 B15R1.34 CCCOCCCNCC1CNC(=O)O1 2230a_100011217757_100000181169 [0,1,0,1,0,0|2,0,0]=4 19123 B15R1.34 CCCOCCCNCC1CNC(=O)O1 34a_100011217757_100000181169 [0,1,0,1,0,0|2,0,0]=4 19124 B15R1.34 CCCOCCCNCC1COC(=O)O1 34a_100011217757_100000073702 [0,1,0,1,0,0|2,0,0]=4 19125 B15R1.34 CCCOCCCNC[C@H]1COC(=O)N1 2230a_100011217757_100015307671 [0,1,0,1,0,0|2,0,0]=4 19126 B15R1.34 CCCOCCCNC[C@H]1COC(=O)N1 34a_100011217757_100015307671 [0,1,0,1,0,0|2,0,0]=4 19127 B15R1.34 CNCCCCCOCC1CNC(=O)O1 34a_100000722520_100000181169 [0,1,0,1,0,0|2,0,0]=4 19128 B15R1.34 CNCCCCCOCC1COC(=O)O1 34a_100000722520_100000073702 [0,1,0,1,0,0|2,0,0]=4 19129 B15R1.34 CNCCCCCOC[C@H]1COC(=O)N1 34a_100000722520_100015307671 [0,1,0,1,0,0|2,0,0]=4 19130 B15R1.34 COCCCCCCNC1CNC(=O)C1 2230a_100000697751_100011998445 [0,1,0,1,0,0|2,0,0]=4 19131 B15R1.34 COCCCCCCOC1CCC(=O)C1 34a_100012614533_100011998445 [0,1,0,1,0,0|2,0,0]=4 19132 B15R1.34 COCCCCCCOC1CNC(=O)C1 34a_100000690082_100011998445 [0,1,0,1,0,0|2,0,0]=4 19133 B15R1.34 COCCCCCCOC1COC(=O)O1 34a_200012092642_100000032252 [0,1,0,1,0,0|2,0,0]=4 19134 B15R1.34 COCCCCCCSC1COC(=O)O1 62a_100011998445_100000032252 [0,1,0,1,0,0|2,0,0]=4 19135 B15R1.34 COCCCCCNCC1CNC(=O)O1 2230a_100000747528_100000181169 [0,1,0,1,0,0|2,0,0]=4 19136 B15R1.34 COCCCCCNCC1CNC(=O)O1 34a_100000747528_100000181169 [0,1,0,1,0,0|2,0,0]=4 19137 B15R1.34 COCCCCCNCC1COC(=O)O1 34a_100000747528_100000073702 [0,1,0,1,0,0|2,0,0]=4 19138 B15R1.34 COCCCCCNC[C@H]1COC(=O)N1 2230a_100000747528_100015307671 [0,1,0,1,0,0|2,0,0]=4 19139 B15R1.34 COCCCCCNC[C@H]1COC(=O)N1 34a_100000747528_100015307671 [0,1,0,1,0,0|2,0,0]=4 19140 B15R1.34 NCCCCCCCOC1COC(=O)O1 34a_100011996573_100000032252 [0,1,0,1,0,0|2,0,0]=4 19141 B15R1.34 NCCCCCCOCC1CNC(=O)O1 34a_100000686447_100000181169 [0,1,0,1,0,0|2,0,0]=4 19142 B15R1.34 NCCCCCCOCC1COC(=O)O1 34a_100000686447_100000073702 [0,1,0,1,0,0|2,0,0]=4 19143 B15R1.34 NCCCCCCOC[C@H]1COC(=O)N1 34a_100000686447_100015307671 [0,1,0,1,0,0|2,0,0]=4 19144 B15R1.34 O=C1CC(CN1)CNCCCCCCF 2230a_100016993742_100015922095 [0,1,0,1,0,0|2,0,0]=4 19145 B15R1.34 O=C1CC(CN1)CNCCCCCCF 34a_100016993742_100015922095 [0,1,0,1,0,0|2,0,0]=4 19146 B15R1.34 O=C1CC(CN1)CNCCCCCCO 2230a_100016993742_100000766143 [0,1,0,1,0,0|2,0,0]=4 19147 B15R1.34 O=C1CC(CN1)CNCCCCCCO 34a_100016993742_100000766143 [0,1,0,1,0,0|2,0,0]=4 19148 B15R1.34 O=C1CC(CN1)COCCCCCCF 34a_100016041077_100015922095 [0,1,0,1,0,0|2,0,0]=4 19149 B15R1.34 O=C1CC(CN1)COCCCCCCO 34a_100016041077_100000766143 [0,1,0,1,0,0|2,0,0]=4 19150 B15R1.34 O=C1CC(CN1)NCCCCCCCO 2230a_100000697751_100000760002 [0,1,0,1,0,0|2,0,0]=4 19151 B15R1.34 O=C1CC(CN1)OCCCCCCCO 34a_100000690082_100000760002 [0,1,0,1,0,0|2,0,0]=4 19152 B15R1.34 O=C1CCC(C1)OCCCCCCCO 34a_100012614533_100000760002 [0,1,0,1,0,0|2,0,0]=4 19153 B15R1.34 O=C1CN(CN1)CCCCCCCCO 2230a_200000708111_100000033203 [0,1,0,1,0,0|2,0,0]=4 19154 B15R1.34 O=C1NCC(O1)CNCCCCCCO 2230a_100000686447_100000181169 [0,1,0,1,0,0|2,0,0]=4 19155 B15R1.34 O=C1NCC(O1)CNCCCCCCO 34a_100000686447_100000181169 [0,1,0,1,0,0|2,0,0]=4 19156 B15R1.34 O=C1NCC(O1)COCCCCCCBr 34a_100011215345_100000181169 [0,1,0,1,0,0|2,0,0]=4 19157 B15R1.34 O=C1NCC(O1)COCCCCCCBr 7a_100011215345_100000181169 [0,1,0,1,0,0|2,0,0]=4 19158 B15R1.34 O=C1NCC(O1)COCCCCCCCl 34a_100000766143_100000181169 [0,1,0,1,0,0|2,0,0]=4 19159 B15R1.34 O=C1NCC(O1)COCCCCCCCl 7a_100000766143_100000181169 [0,1,0,1,0,0|2,0,0]=4 19160 B15R1.34 O=C1NCC(O1)COCCCCCCF 34a_100000732779_100000181169 [0,1,0,1,0,0|2,0,0]=4 19161 B15R1.34 O=C1NCC(O1)COCCCCCCF 34a_100011315639_100015922095 [0,1,0,1,0,0|2,0,0]=4 19162 B15R1.34 O=C1NCC(O1)COCCCCCCF 7a_100000732779_100000181169 [0,1,0,1,0,0|2,0,0]=4 19163 B15R1.34 O=C1NCC(O1)COCCCCCCO 34a_100011315639_100000766143 [0,1,0,1,0,0|2,0,0]=4 19164 B15R1.34 O=C1NCC(O1)CSCCCCCCF 62a_100000181169_100015922095 [0,1,0,1,0,0|2,0,0]=4 19165 B15R1.34 O=C1NCC(O1)CSCCCCCCF 62a_100015922095_100000181169 [0,1,0,1,0,0|2,0,0]=4 19166 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000181169_100000766143 [0,1,0,1,0,0|2,0,0]=4 19167 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000766143_100000181169 [0,1,0,1,0,0|2,0,0]=4 19168 B15R1.34 O=C1N[C@H](CO1)CNCCCCCCO 2230a_100000686447_100015307671 [0,1,0,1,0,0|2,0,0]=4 19169 B15R1.34 O=C1N[C@H](CO1)CNCCCCCCO 34a_100000686447_100015307671 [0,1,0,1,0,0|2,0,0]=4 19170 B15R1.34 O=C1N[C@H](CO1)COCCCCCCBr 34a_100011215345_100015307671 [0,1,0,1,0,0|2,0,0]=4 19171 B15R1.34 O=C1N[C@H](CO1)COCCCCCCBr 7a_100011215345_100015307671 [0,1,0,1,0,0|2,0,0]=4 19172 B15R1.34 O=C1N[C@H](CO1)COCCCCCCCl 34a_100000766143_100015307671 [0,1,0,1,0,0|2,0,0]=4 19173 B15R1.34 O=C1N[C@H](CO1)COCCCCCCCl 7a_100000766143_100015307671 [0,1,0,1,0,0|2,0,0]=4 19174 B15R1.34 O=C1N[C@H](CO1)COCCCCCCF 34a_100000732779_100015307671 [0,1,0,1,0,0|2,0,0]=4 19175 B15R1.34 O=C1N[C@H](CO1)COCCCCCCF 7a_100000732779_100015307671 [0,1,0,1,0,0|2,0,0]=4 19176 B15R1.34 O=C1N[C@H](CO1)CSCCCCCCF 62a_100015307671_100015922095 [0,1,0,1,0,0|2,0,0]=4 19177 B15R1.34 O=C1N[C@H](CO1)CSCCCCCCF 62a_100015922095_100015307671 [0,1,0,1,0,0|2,0,0]=4 19178 B15R1.34 O=C1N[C@H](CO1)CSCCCCCCO 62a_100000766143_100015307671 [0,1,0,1,0,0|2,0,0]=4 19179 B15R1.34 O=C1N[C@H](CO1)CSCCCCCCO 62a_100015307671_100000766143 [0,1,0,1,0,0|2,0,0]=4 19180 B15R1.34 O=C1OCC(O1)CNCCCCCCO 34a_100000686447_100000073702 [0,1,0,1,0,0|2,0,0]=4 19181 B15R1.34 O=C1OCC(O1)COCCCCCCBr 34a_100011215345_100000073702 [0,1,0,1,0,0|2,0,0]=4 19182 B15R1.34 O=C1OCC(O1)COCCCCCCCl 34a_100000766143_100000073702 [0,1,0,1,0,0|2,0,0]=4 19183 B15R1.34 O=C1OCC(O1)COCCCCCCF 34a_100000732779_100000073702 [0,1,0,1,0,0|2,0,0]=4 19184 B15R1.34 O=C1OCC(O1)CSCCCCCCF 62a_100000073702_100015922095 [0,1,0,1,0,0|2,0,0]=4 19185 B15R1.34 O=C1OCC(O1)CSCCCCCCF 62a_100015922095_100000073702 [0,1,0,1,0,0|2,0,0]=4 19186 B15R1.34 O=C1OCC(O1)CSCCCCCCO 62a_100000073702_100000766143 [0,1,0,1,0,0|2,0,0]=4 19187 B15R1.34 O=C1OCC(O1)CSCCCCCCO 62a_100000766143_100000073702 [0,1,0,1,0,0|2,0,0]=4 19188 B15R1.34 O=C1OCC(O1)NCCCCCCCO 34a_100011996573_100000032252 [0,1,0,1,0,0|2,0,0]=4 19189 B15R1.34 O=C1OCC(O1)OCCCCCCCBr 34a_100000760002_100000032252 [0,1,0,1,0,0|2,0,0]=4 19190 B15R1.34 O=C1OCC(O1)SCCCCCCCO 62a_100000760002_100000032252 [0,1,0,1,0,0|2,0,0]=4 19191 B15R1.85 C=CC(=O)OCCN1CCCCC1CC 2230a_100000210034_100009813456 [0,1,0,1,0,0|1,0,1]=4 19192 B15R1.85 C=CC(=O)OCCN1CCCCC1CC 269982a_100000210034_100009813456 [0,1,0,1,0,0|1,0,1]=4 19193 B15R1.85 C=CC(=O)OCCN1CCCCC1CC 34a_100000210034_100009813456 [0,1,0,1,0,0|1,0,1]=4 19194 B15R1.85 CCC(=O)NCCN1CCCCC1CC 11a_100000755458_100000210414 [0,1,0,1,0,0|2,0,0]=4 19195 B15R1.85 CCC(=O)NCCN1CCCCC1CC 1626a_100000755458_100000210414 [0,1,0,1,0,0|2,0,0]=4 19196 B15R1.85 CCC(=O)NCCN1CCCCC1CC 240690a_100000755458_100000210414 [0,1,0,1,0,0|2,0,0]=4 19197 B15R1.85 CCC(=O)NCCN1CCCCC1CC 527a_100000755458_100000210414 [0,1,0,1,0,0|2,0,0]=4 19198 B15R1.85 CCC1CCCCC1NCCC(=O)NC 269862a_100000738227_100000757040 [0,1,0,1,0,0|2,0,0]=4 19199 B15R1.85 CCC1CCCCC1NCCC(=O)NC 270004a_100000738227_100000757040 [0,1,0,1,0,0|2,0,0]=4 19200 B15R1.85 CCC1CCCCC1OCCC(=O)NC 34a_100000210738_100012179268 [0,1,0,1,0,0|2,0,0]=4 19201 B15R1.85 CCC1CCCCC1OCCC(=O)NC 7a_100000210738_100000737683 [0,1,0,1,0,0|2,0,0]=4 19202 B15R1.85 CCC1CCCCC1OCCC(=O)OC 34a_100000210738_100000742370 [0,1,0,1,0,0|2,0,0]=4 19203 B15R1.85 CCC1CCCCC1OCCC(=O)OC 7a_100000210738_100000204255 [0,1,0,1,0,0|2,0,0]=4 19204 B15R1.85 CCC1CCCCN1CCCC(=O)NC 2230a_100000210034_100000741757 [0,1,0,1,0,0|2,0,0]=4 19205 B15R1.85 CCC1CCCCN1CCCC(=O)NC 269982a_100000210034_100000741757 [0,1,0,1,0,0|2,0,0]=4 19206 B15R1.85 CCC1CCCCN1CCCC(=O)NC 34a_100000210034_100000741757 [0,1,0,1,0,0|2,0,0]=4 19207 B15R1.85 CCC1CCCCN1CCCC(=O)OC 2230a_100000210034_100011218270 [0,1,0,1,0,0|2,0,0]=4 19208 B15R1.85 CCC1CCCCN1CCCC(=O)OC 269982a_100000210034_100011218270 [0,1,0,1,0,0|2,0,0]=4 19209 B15R1.85 CCC1CCCCN1CCCC(=O)OC 34a_100000210034_100000742333 [0,1,0,1,0,0|2,0,0]=4 19210 B15R1.85 CCC1CCCCN1CCNC(=O)CO 240690a_100000755458_100000210174 [0,1,0,1,0,0|2,0,0]=4 19211 B15R1.85 CCC1CCCCN1CCNC(=O)CO 527a_100000755458_100000210174 [0,1,0,1,0,0|2,0,0]=4 19212 B15R1.85 CCC1CCCCN1CCNC(=O)NC 2708a_100000755458_106832991635 [0,1,0,1,0,0|2,0,0]=4 19213 B15R1.85 CCC1CCCCN1CCNC(=O)NC 2708a_100102657272_100000755458 [0,1,0,1,0,0|2,0,0]=4 19214 B15R1.85 CCC1CCCCN1CCNC(=O)NC 273464a_100000755458_100102657272 [0,1,0,1,0,0|2,0,0]=4 19215 B15R1.85 CCC1CCCCN1CCNC(=O)NC 273464a_100102657272_100000755458 [0,1,0,1,0,0|2,0,0]=4 19216 B15R1.85 CCC1CCCCN1CCNC(=O)NC 512a_100000755458_100102657272 [0,1,0,1,0,0|2,0,0]=4 19217 B15R1.85 CCC1CCCCN1CCNC(=O)NC 512a_106832991638_100000755458 [0,1,0,1,0,0|2,0,0]=4 19218 B15R1.85 CCC1CCCCN1CCOC(=O)NC 269982a_100000210034_200011997002 [0,1,0,1,0,0|1,0,0]=3 19219 B15R1.85 CCC1CCCCN1CCOC(=O)NC 34a_100000210034_200011997002 [0,1,0,1,0,0|1,0,0]=3 19220 B15R1.85 CC[C@H]1COCCN1CCOC(=O)NC 269982a_100016988097_200011997002 [0,1,0,1,0,0|2,0,0]=4 19221 B15R1.85 CC[C@H]1COCCN1CCOC(=O)NC 34a_100016988097_200011997002 [0,1,0,1,0,0|2,0,0]=4 19222 B15R1.85 CNC(=O)OCCN1CCCCC1CO 269982a_100000210821_200011997002 [0,1,0,1,0,0|2,0,0]=4 19223 B15R1.85 CNC(=O)OCCN1CCCCC1CO 34a_100000210821_200011997002 [0,1,0,1,0,0|2,0,0]=4 19224 B15R1.229 CCCCCCCCCCOC1CCC1 34a_100000210711_100000749161 [0,1,0,1,0,0|1,0,1]=4 19225 B15R1.229 CCCCCCCCCCOC1CCC1 34a_100000748187_100000210320 [0,1,0,1,0,0|1,0,1]=4 19226 B15R1.229 CCCCCCCCCCOC1COC1 34a_100000210711_100009818527 [0,1,0,1,0,0|0,0,2]=4 19227 B15R1.229 CCCCCCCCCCOC1COC1 7a_100000210711_100009818527 [0,1,0,1,0,0|0,0,2]=4 19228 B15R1.229 CCCCCCCCCCOC1CSC1 7a_100000072292_100000210320 [0,1,0,1,0,0|0,1,1]=4 19229 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210314 [0,1,0,1,0,0|2,0,0]=4 19230 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210757 [0,1,0,1,0,0|2,0,0]=4 19231 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210314 [0,1,0,1,0,0|2,0,0]=4 19232 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210314 [0,1,0,1,0,0|2,0,0]=4 19233 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210757 [0,1,0,1,0,0|2,0,0]=4 19234 B15R1.251 CCCCCOC1CCCC1C(=O)OC 34a_200000081814_100000718602 [0,1,0,1,0,0|2,0,0]=4 19235 B15R1.251 CCCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210326 [0,1,0,1,0,0|2,0,0]=4 19236 B15R1.273 CCCC1CCCCC1NCC(=O)NC 269862a_100000693194_100011218038 [0,1,0,1,0,0|2,0,0]=4 19237 B15R1.273 CCCC1CCCCC1NCC(=O)NC 270004a_100000693194_100011218038 [0,1,0,1,0,0|2,0,0]=4 19238 B15R1.273 CCCC1CCCCC1OCC(=O)CC 7a_100011217265_100000747405 [0,1,0,1,0,0|2,0,0]=4 19239 B15R1.273 CCCC1CCCCC1OCC(=O)NC 34a_100011217265_100000183359 [0,1,0,1,0,0|2,0,0]=4 19240 B15R1.273 CCCC1CCCCC1OCC(=O)NC 7a_100011217265_100000183359 [0,1,0,1,0,0|2,0,0]=4 19241 B15R1.273 CCCC1CCCCC1OCC(=O)OC 34a_100011217265_100000747449 [0,1,0,1,0,0|2,0,0]=4 19242 B15R1.273 CCCC1CCCCC1OCC(=O)OC 7a_100011217265_100000747449 [0,1,0,1,0,0|2,0,0]=4 19243 B15R1.273 CCCC1CCCCN1CCC(=O)NC 2230a_100000701414_100000737683 [0,1,0,1,0,0|2,0,0]=4 19244 B15R1.273 CCCC1CCCCN1CCC(=O)NC 269982a_100000701414_100000737683 [0,1,0,1,0,0|2,0,0]=4 19245 B15R1.273 CCCC1CCCCN1CCC(=O)NC 34a_100000701414_100012179268 [0,1,0,1,0,0|2,0,0]=4 19246 B15R1.273 CCCC1CCCCN1CCC(=O)OC 2230a_100000701414_100000204255 [0,1,0,1,0,0|2,0,0]=4 19247 B15R1.273 CCCC1CCCCN1CCC(=O)OC 269982a_100000701414_100000204255 [0,1,0,1,0,0|2,0,0]=4 19248 B15R1.273 CCCC1CCCCN1CCC(=O)OC 34a_100000701414_100000742370 [0,1,0,1,0,0|2,0,0]=4 19249 B15R1.605 CCCC1CCCC1NCCC(=O)NC 269862a_100000738227_100000723119 [0,1,0,1,0,0|2,0,0]=4 19250 B15R1.605 CCCC1CCCC1NCCC(=O)NC 270004a_100000738227_100000723119 [0,1,0,1,0,0|2,0,0]=4 19251 B15R1.605 CNC(=O)OCCN1CCC[C@H]1COC 269982a_100020646714_200011997002 [0,1,0,1,0,0|2,0,0]=4 19252 B15R1.605 CNC(=O)OCCN1CCC[C@H]1COC 34a_100020646714_200011997002 [0,1,0,1,0,0|2,0,0]=4 19253 B15R1.853 CCCCC1CCCC1NCC(=O)NC 269862a_100000693194_100000750825 [0,1,0,1,0,0|2,0,0]=4 19254 B15R1.853 CCCCC1CCCC1NCC(=O)NC 270004a_100000693194_100000750825 [0,1,0,1,0,0|2,0,0]=4 19255 B15R1.962 C#CC(C)OCCCCC1CCCCC1 34a_100011215267_200000035995 [0,1,0,1,0,0|1,0,1]=4 19256 B15R1.962 C=CC(=O)OCCNCC1CCCCC1 2230a_100000210473_100009813456 [0,1,0,1,0,0|1,0,1]=4 19257 B15R1.962 C=CC(=O)OCCNCC1CCCCC1 34a_100000210473_100009813456 [0,1,0,1,0,0|1,0,1]=4 19258 B15R1.962 C=CC(=O)OCCOCC1CCCCC1 34a_100000212181_100009813456 [0,1,0,1,0,0|1,0,1]=4 19259 B15R1.962 C=CC(=O)OCCOCC1CCCCC1 7a_100000212181_100009813456 [0,1,0,1,0,0|1,0,1]=4 19260 B15R1.962 C=CC(=O)OCCSCC1CCCCC1 62a_100000211423_100009813456 [0,1,0,1,0,0|1,0,1]=4 19261 B15R1.962 C=CC(=O)OCCSCC1CCCCC1 62a_100009813456_100000211423 [0,1,0,1,0,0|1,0,1]=4 19262 B15R1.962 CC(C#N)OCCCCC1CCCCC1 7a_100011215267_100000703298 [0,1,0,1,0,0|1,0,1]=4 19263 B15R1.962 CC(CO)OCCCCC1CCCCC1 34a_100011215267_100012180447 [0,1,0,1,0,0|0,0,2]=4 19264 B15R1.962 CC(CO)OCCCCC1CCCCC1 7a_100011215267_100012180447 [0,1,0,1,0,0|0,0,2]=4 19265 B15R1.962 CCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210202 [0,1,0,1,0,0|2,0,0]=4 19266 B15R1.962 CCC(=O)COCCCC1CCCCC1 34a_100000725409_100011713725 [0,1,0,1,0,0|2,0,0]=4 19267 B15R1.962 CCC(=O)COCCCC1CCCCC1 7a_100000198086_100000747405 [0,1,0,1,0,0|2,0,0]=4 19268 B15R1.962 CCC(=O)CSCCCC1CCCCC1 62a_100000747405_100011713725 [0,1,0,1,0,0|2,0,0]=4 19269 B15R1.962 CCC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747405 [0,1,0,1,0,0|2,0,0]=4 19270 B15R1.962 CCC(=O)NCCCCN1CCCCC1 240690a_200011207366_100000210414 [0,1,0,1,0,0|2,0,0]=4 19271 B15R1.962 CCC(=O)NCCCOC1CCCCC1 11a_100000205933_100000210414 [0,1,0,1,0,0|2,0,0]=4 19272 B15R1.962 CCC(=O)NCCCOC1CCCCC1 1626a_100000205933_100000210414 [0,1,0,1,0,0|2,0,0]=4 19273 B15R1.962 CCC(=O)NCCCOC1CCCCC1 240690a_100000205933_100000210414 [0,1,0,1,0,0|2,0,0]=4 19274 B15R1.962 CCC(=O)NCCCOC1CCCCC1 527a_100000205933_100000210414 [0,1,0,1,0,0|2,0,0]=4 19275 B15R1.962 CCC(=O)NCCNCC1CCCCC1 269862a_100132302217_100000211278 [0,1,0,1,0,0|2,0,0]=4 19276 B15R1.962 CCC(=O)NCCNCC1CCCCC1 34a_100132302217_100000211423 [0,1,0,1,0,0|2,0,0]=4 19277 B15R1.962 CCC(=O)NCCOCC1CCCCC1 34a_200000158885_100000211423 [0,1,0,1,0,0|2,0,0]=4 19278 B15R1.962 CCC(=O)NCCOCC1CCCCC1 7a_200000158885_100000211423 [0,1,0,1,0,0|2,0,0]=4 19279 B15R1.962 CCC(=O)OCCOCC1CCCCC1 7a_200000031056_100000211423 [0,1,0,1,0,0|1,0,0]=3 19280 B15R1.962 CCC(=O)OCCOCC1CCCCO1 7a_200000031056_100000211543 [0,1,0,1,0,0|2,0,0]=4 19281 B15R1.962 CCC(=O)OCCOCC1CCCOC1 7a_200000031056_100000741521 [0,1,0,1,0,0|2,0,0]=4 19282 B15R1.962 CCC(=O)OCCOCC1CCOCC1 7a_200000031056_100000754603 [0,1,0,1,0,0|2,0,0]=4 19283 B15R1.962 CCC(C)OCCCCC1CCCCC1 34a_100011215267_100011215416 [0,1,0,1,0,0|1,0,1]=4 19284 B15R1.962 CCC(C)OCCCCC1CCCCC1 7a_100011215267_100000758301 [0,1,0,1,0,0|1,0,1]=4 19285 B15R1.962 CNC(=O)CCCCCN1CCCCC1 11a_106832991635_100012051570 [0,1,0,1,0,0|2,0,0]=4 19286 B15R1.962 CNC(=O)CCCCCN1CCCCC1 240690a_100102657272_100012051570 [0,1,0,1,0,0|2,0,0]=4 19287 B15R1.962 CNC(=O)CCCNCC1CCCCC1 2230a_100000210473_100000741757 [0,1,0,1,0,0|2,0,0]=4 19288 B15R1.962 CNC(=O)CCCNCC1CCCCC1 2230a_100000740002_100000211423 [0,1,0,1,0,0|2,0,0]=4 19289 B15R1.962 CNC(=O)CCCNCC1CCCCC1 269862a_100000740002_100000211278 [0,1,0,1,0,0|2,0,0]=4 19290 B15R1.962 CNC(=O)CCCNCC1CCCCC1 34a_100000210473_100000741757 [0,1,0,1,0,0|2,0,0]=4 19291 B15R1.962 CNC(=O)CCCNCC1CCCCC1 34a_100000740002_100000211423 [0,1,0,1,0,0|2,0,0]=4 19292 B15R1.962 CNC(=O)CCCOCC1CCCCC1 34a_100000212181_100000741757 [0,1,0,1,0,0|2,0,0]=4 19293 B15R1.962 CNC(=O)CCCOCC1CCCCC1 7a_100000212181_100000741757 [0,1,0,1,0,0|2,0,0]=4 19294 B15R1.962 CNC(=O)CCCSCC1CCCCC1 62a_100000211423_100000741757 [0,1,0,1,0,0|2,0,0]=4 19295 B15R1.962 CNC(=O)CCCSCC1CCCCC1 62a_100000741757_100000211423 [0,1,0,1,0,0|2,0,0]=4 19296 B15R1.962 CNC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000737683 [0,1,0,1,0,0|2,0,0]=4 19297 B15R1.962 CNC(=O)CCNCCC1CCCCC1 2230a_100000738227_100012355289 [0,1,0,1,0,0|2,0,0]=4 19298 B15R1.962 CNC(=O)CCNCCC1CCCCC1 270004a_100000738227_100011713444 [0,1,0,1,0,0|2,0,0]=4 19299 B15R1.962 CNC(=O)CCNCCC1CCCCC1 34a_100000738074_100012179268 [0,1,0,1,0,0|2,0,0]=4 19300 B15R1.962 CNC(=O)CCNCCC1CCCCC1 34a_100000738227_100011209188 [0,1,0,1,0,0|2,0,0]=4 19301 B15R1.962 CNC(=O)CCOCCC1CCCCC1 34a_100000754576_100011209188 [0,1,0,1,0,0|2,0,0]=4 19302 B15R1.962 CNC(=O)CCOCCC1CCCCC1 34a_100011217863_100012179268 [0,1,0,1,0,0|2,0,0]=4 19303 B15R1.962 CNC(=O)CCOCCC1CCCCC1 7a_100011217863_100000737683 [0,1,0,1,0,0|2,0,0]=4 19304 B15R1.962 CNC(=O)CCSCCC1CCCCC1 62a_100000737683_100012355289 [0,1,0,1,0,0|2,0,0]=4 19305 B15R1.962 CNC(=O)CCSCCC1CCCCC1 62a_100012355289_100000737683 [0,1,0,1,0,0|2,0,0]=4 19306 B15R1.962 CNC(=O)CNCCCC1CCCCC1 2230a_100000693194_100011713725 [0,1,0,1,0,0|2,0,0]=4 19307 B15R1.962 CNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183359 [0,1,0,1,0,0|2,0,0]=4 19308 B15R1.962 CNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000183359 [0,1,0,1,0,0|2,0,0]=4 19309 B15R1.962 CNC(=O)COCCCC1CCCCC1 34a_100000198086_100000183359 [0,1,0,1,0,0|2,0,0]=4 19310 B15R1.962 CNC(=O)COCCCC1CCCCC1 34a_100000750040_100011713725 [0,1,0,1,0,0|2,0,0]=4 19311 B15R1.962 CNC(=O)COCCCC1CCCCC1 7a_100000198086_100000183359 [0,1,0,1,0,0|2,0,0]=4 19312 B15R1.962 CNC(=O)CSCCCC1CCCCC1 62a_100000183359_100011713725 [0,1,0,1,0,0|2,0,0]=4 19313 B15R1.962 CNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183359 [0,1,0,1,0,0|2,0,0]=4 19314 B15R1.962 CNC(=O)NCCCCN1CCCCC1 2708a_100102657272_200011207366 [0,1,0,1,0,0|2,0,0]=4 19315 B15R1.962 CNC(=O)NCCCCN1CCCCC1 2708a_200011207366_106832991635 [0,1,0,1,0,0|2,0,0]=4 19316 B15R1.962 CNC(=O)NCCCCN1CCCCC1 273464a_100102657272_200011207366 [0,1,0,1,0,0|2,0,0]=4 19317 B15R1.962 CNC(=O)NCCCCN1CCCCC1 273464a_200011207366_100102657272 [0,1,0,1,0,0|2,0,0]=4 19318 B15R1.962 CNC(=O)NCCCCN1CCCCC1 512a_106832991638_200011207366 [0,1,0,1,0,0|2,0,0]=4 19319 B15R1.962 CNC(=O)NCCCOC1CCCCC1 2708a_100000205933_106832991635 [0,1,0,1,0,0|2,0,0]=4 19320 B15R1.962 CNC(=O)NCCCOC1CCCCC1 2708a_100102657272_100000205933 [0,1,0,1,0,0|2,0,0]=4 19321 B15R1.962 CNC(=O)NCCCOC1CCCCC1 273464a_100000205933_100102657272 [0,1,0,1,0,0|2,0,0]=4 19322 B15R1.962 CNC(=O)NCCCOC1CCCCC1 273464a_100102657272_100000205933 [0,1,0,1,0,0|2,0,0]=4 19323 B15R1.962 CNC(=O)NCCCOC1CCCCC1 512a_100000205933_100102657272 [0,1,0,1,0,0|2,0,0]=4 19324 B15R1.962 CNC(=O)NCCCOC1CCCCC1 512a_106832991638_100000205933 [0,1,0,1,0,0|2,0,0]=4 19325 B15R1.962 CNC(=O)NCCNCC1CCCCC1 269862a_100015205895_100000211278 [0,1,0,1,0,0|2,0,0]=4 19326 B15R1.962 CNC(=O)NCCNCC1CCCCC1 34a_100015205895_100000211423 [0,1,0,1,0,0|2,0,0]=4 19327 B15R1.962 CNC(=O)OCCNCC1CCCCC1 34a_100000210473_200011997002 [0,1,0,1,0,0|1,0,0]=3 19328 B15R1.962 CNC(=O)OCCNCC1CCCCO1 34a_100000174945_200011997002 [0,1,0,1,0,0|2,0,0]=4 19329 B15R1.962 CNC(=O)OCCNCC1CCCOC1 34a_100000720124_200011997002 [0,1,0,1,0,0|2,0,0]=4 19330 B15R1.962 CNC(=O)OCCNCC1CCOCC1 34a_100000746373_200011997002 [0,1,0,1,0,0|2,0,0]=4 19331 B15R1.962 CNC(=O)OCCNCC1CCSCC1 34a_100015188806_200011997002 [0,1,0,1,0,0|2,0,0]=4 19332 B15R1.962 CNC(=O)OCCOCC1CCCCC1 34a_100000212181_200011997002 [0,1,0,1,0,0|1,0,0]=3 19333 B15R1.962 CNC(=O)OCCOCC1CCCCC1 7a_100000212181_200011997002 [0,1,0,1,0,0|1,0,0]=3 19334 B15R1.962 CNC(=O)OCCOCC1CCCCN1 34a_100000210821_200011997002 [0,1,0,1,0,0|2,0,0]=4 19335 B15R1.962 CNC(=O)OCCOCC1CCCCO1 34a_100000211370_200011997002 [0,1,0,1,0,0|2,0,0]=4 19336 B15R1.962 CNC(=O)OCCOCC1CCCCO1 7a_100000211370_200011997002 [0,1,0,1,0,0|2,0,0]=4 19337 B15R1.962 CNC(=O)OCCOCC1CCCNC1 34a_100000211344_200011997002 [0,1,0,1,0,0|2,0,0]=4 19338 B15R1.962 CNC(=O)OCCOCC1CCCOC1 34a_100000741520_200011997002 [0,1,0,1,0,0|2,0,0]=4 19339 B15R1.962 CNC(=O)OCCOCC1CCNCC1 34a_100000738675_200011997002 [0,1,0,1,0,0|2,0,0]=4 19340 B15R1.962 CNC(=O)OCCOCC1CCOCC1 34a_100000749013_200011997002 [0,1,0,1,0,0|2,0,0]=4 19341 B15R1.962 CNC(=O)OCCOCC1CCSCC1 34a_100000070558_200011997002 [0,1,0,1,0,0|2,0,0]=4 19342 B15R1.962 CNC(=O)OCCOCC1CCSCC1 7a_100000070558_200011997002 [0,1,0,1,0,0|2,0,0]=4 19343 B15R1.962 CNC(=O)OCCSCC1CCCCC1 62a_100000211423_200011997002 [0,1,0,1,0,0|1,0,0]=3 19344 B15R1.962 CNC(=O)OCCSCC1CCCCC1 62a_200011997002_100000211423 [0,1,0,1,0,0|1,0,0]=3 19345 B15R1.962 CNC(=O)OCCSCC1CCCCO1 62a_100000211543_200011997002 [0,1,0,1,0,0|2,0,0]=4 19346 B15R1.962 CNC(=O)OCCSCC1CCCCO1 62a_200011997002_100000211543 [0,1,0,1,0,0|2,0,0]=4 19347 B15R1.962 CNC(=O)OCCSCC1CCCOC1 62a_100000741521_200011997002 [0,1,0,1,0,0|2,0,0]=4 19348 B15R1.962 CNC(=O)OCCSCC1CCCOC1 62a_200011997002_100000741521 [0,1,0,1,0,0|2,0,0]=4 19349 B15R1.962 CNC(=O)OCCSCC1CCOCC1 62a_100000754603_200011997002 [0,1,0,1,0,0|2,0,0]=4 19350 B15R1.962 CNC(=O)OCCSCC1CCOCC1 62a_200011997002_100000749018 [0,1,0,1,0,0|2,0,0]=4 19351 B15R1.962 COC(=O)CCCCNC1CCCCC1 2230a_100000182618_100000204269 [0,1,0,1,0,0|2,0,0]=4 19352 B15R1.962 COC(=O)CCCCNC1CCCCC1 34a_100000182618_100000204269 [0,1,0,1,0,0|2,0,0]=4 19353 B15R1.962 COC(=O)CCCCOC1CCCCC1 34a_100000059025_100000210327 [0,1,0,1,0,0|2,0,0]=4 19354 B15R1.962 COC(=O)CCCCOC1CCCCC1 34a_100000210231_100000204269 [0,1,0,1,0,0|2,0,0]=4 19355 B15R1.962 COC(=O)CCCCOC1CCCCC1 7a_100000059025_100000210327 [0,1,0,1,0,0|2,0,0]=4 19356 B15R1.962 COC(=O)CCCCOC1CCCCC1 7a_100000210231_100000204269 [0,1,0,1,0,0|2,0,0]=4 19357 B15R1.962 COC(=O)CCCCSC1CCCCC1 62a_100000204269_100000210327 [0,1,0,1,0,0|2,0,0]=4 19358 B15R1.962 COC(=O)CCCCSC1CCCCC1 62a_100000210327_100000204269 [0,1,0,1,0,0|2,0,0]=4 19359 B15R1.962 COC(=O)CCCNCC1CCCCC1 2230a_100000210473_100011218270 [0,1,0,1,0,0|2,0,0]=4 19360 B15R1.962 COC(=O)CCCNCC1CCCCC1 34a_100000210473_100000742333 [0,1,0,1,0,0|2,0,0]=4 19361 B15R1.962 COC(=O)CCCOCC1CCCCC1 34a_100000212181_100000742333 [0,1,0,1,0,0|2,0,0]=4 19362 B15R1.962 COC(=O)CCCOCC1CCCCC1 7a_100000212181_100011218270 [0,1,0,1,0,0|2,0,0]=4 19363 B15R1.962 COC(=O)CCCSCC1CCCCC1 62a_100000211423_100011218270 [0,1,0,1,0,0|2,0,0]=4 19364 B15R1.962 COC(=O)CCCSCC1CCCCC1 62a_100011218270_100000211423 [0,1,0,1,0,0|2,0,0]=4 19365 B15R1.962 COC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000204255 [0,1,0,1,0,0|2,0,0]=4 19366 B15R1.962 COC(=O)CCNCCC1CCCCC1 34a_100000738074_100000742370 [0,1,0,1,0,0|2,0,0]=4 19367 B15R1.962 COC(=O)CCOCCC1CCCCC1 34a_100011217863_100000742370 [0,1,0,1,0,0|2,0,0]=4 19368 B15R1.962 COC(=O)CCOCCC1CCCCC1 7a_100011217863_100000204255 [0,1,0,1,0,0|2,0,0]=4 19369 B15R1.962 COC(=O)CCSCCC1CCCCC1 62a_100000204255_100012355289 [0,1,0,1,0,0|2,0,0]=4 19370 B15R1.962 COC(=O)CCSCCC1CCCCC1 62a_100012355289_100000204255 [0,1,0,1,0,0|2,0,0]=4 19371 B15R1.962 COC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747449 [0,1,0,1,0,0|2,0,0]=4 19372 B15R1.962 COC(=O)CNCCCC1CCCCC1 34a_100011211642_100000747449 [0,1,0,1,0,0|2,0,0]=4 19373 B15R1.962 COC(=O)COCCCC1CCCCC1 34a_100000198086_100000747449 [0,1,0,1,0,0|2,0,0]=4 19374 B15R1.962 COC(=O)COCCCC1CCCCC1 7a_100000198086_100000747449 [0,1,0,1,0,0|2,0,0]=4 19375 B15R1.962 COC(=O)CSCCCC1CCCCC1 62a_100000747449_100011713725 [0,1,0,1,0,0|2,0,0]=4 19376 B15R1.962 COC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747449 [0,1,0,1,0,0|2,0,0]=4 19377 B15R1.962 COC(=O)NCCOCC1CCCCC1 34a_100000757965_100000211423 [0,1,0,1,0,0|2,0,0]=4 19378 B15R1.962 COC(=O)OCCOCC1CCCCC1 34a_100010262106_100000211423 [0,1,0,1,0,0|1,0,0]=3 19379 B15R1.962 COC(=O)OCCOCC1CCCCO1 34a_100010262106_100000211543 [0,1,0,1,0,0|2,0,0]=4 19380 B15R1.962 COC(=O)OCCOCC1CCCOC1 34a_100010262106_100000741521 [0,1,0,1,0,0|2,0,0]=4 19381 B15R1.962 COC(=O)OCCOCC1CCOCC1 34a_100010262106_100000754603 [0,1,0,1,0,0|2,0,0]=4 19382 B15R1.962 COC(=O)OCSCCC1CCCCC1 62a_100012355289_100000139417 [0,1,0,1,0,0|1,0,0]=3 19383 B15R1.962 COC(=O)OCSCCC1CCOCC1 62a_100011934994_100000139417 [0,1,0,1,0,0|2,0,0]=4 19384 B15R1.962 COC(=O)OCSCCN1CCCCC1 62a_100000739454_100000139417 [0,1,0,1,0,0|2,0,0]=4 19385 B15R1.962 COC(=O)OCSCOC1CCCCC1 62a_100011935260_100000139417 [0,1,0,1,0,0|2,0,0]=4 19386 B15R1.962 O=C(CF)CCCCCN1CCCCC1 1458a_100012051570_100015361967 [0,1,0,1,0,0|2,0,0]=4 19387 B15R1.962 O=C(CO)NCCCCN1CCCCC1 240690a_200011207366_100000210174 [0,1,0,1,0,0|2,0,0]=4 19388 B15R1.962 O=C(CO)NCCCOC1CCCCC1 240690a_100000205933_100000210174 [0,1,0,1,0,0|2,0,0]=4 19389 B15R1.962 O=C(CO)NCCCOC1CCCCC1 527a_100000205933_100000210174 [0,1,0,1,0,0|2,0,0]=4 19390 B15R1.975 C=CC(=O)OCCNCCC1CCCC1 2230a_100000739158_100009813456 [0,1,0,1,0,0|1,0,1]=4 19391 B15R1.975 C=CC(=O)OCCNCCC1CCCC1 34a_100000739158_100009813456 [0,1,0,1,0,0|1,0,1]=4 19392 B15R1.975 C=CC(=O)OCCOCCC1CCCC1 34a_100000749090_100009813456 [0,1,0,1,0,0|1,0,1]=4 19393 B15R1.975 C=CC(=O)OCCOCCC1CCCC1 7a_100000749090_100009813456 [0,1,0,1,0,0|1,0,1]=4 19394 B15R1.975 C=CC(=O)OCCSCCC1CCCC1 62a_100000760354_100009813456 [0,1,0,1,0,0|1,0,1]=4 19395 B15R1.975 C=CC(=O)OCCSCCC1CCCC1 62a_100009813456_100000760354 [0,1,0,1,0,0|1,0,1]=4 19396 B15R1.975 CCC(=O)NCCCCCN1CCCC1 1626a_100011491779_100000210414 [0,1,0,1,0,0|2,0,0]=4 19397 B15R1.975 CCC(=O)NCCCCCN1CCCC1 240690a_100011491779_100000210414 [0,1,0,1,0,0|2,0,0]=4 19398 B15R1.975 CCC(=O)NCCNCCC1CCCC1 34a_100132302217_100000760354 [0,1,0,1,0,0|2,0,0]=4 19399 B15R1.975 CCC(=O)NCCOCCC1CCCC1 34a_200000158885_100000760354 [0,1,0,1,0,0|2,0,0]=4 19400 B15R1.975 CCC(=O)NCCOCCC1CCCC1 7a_200000158885_100000760354 [0,1,0,1,0,0|2,0,0]=4 19401 B15R1.975 CCC(=O)OCCOCCC1CCCC1 7a_200000031056_100000760354 [0,1,0,1,0,0|1,0,0]=3 19402 B15R1.975 CCC(=O)OCCOCCN1CCCC1 7a_200000031056_100000004467 [0,1,0,1,0,0|2,0,0]=4 19403 B15R1.975 CNC(=O)CCCNCCC1CCCC1 2230a_100000739158_100000741757 [0,1,0,1,0,0|2,0,0]=4 19404 B15R1.975 CNC(=O)CCCNCCC1CCCC1 2230a_100000740002_100000760354 [0,1,0,1,0,0|2,0,0]=4 19405 B15R1.975 CNC(=O)CCCNCCC1CCCC1 34a_100000739158_100000741757 [0,1,0,1,0,0|2,0,0]=4 19406 B15R1.975 CNC(=O)CCCNCCC1CCCC1 34a_100000740002_100000760354 [0,1,0,1,0,0|2,0,0]=4 19407 B15R1.975 CNC(=O)CCCOCCC1CCCC1 34a_100000749090_100000741757 [0,1,0,1,0,0|2,0,0]=4 19408 B15R1.975 CNC(=O)CCCOCCC1CCCC1 7a_100000749090_100000741757 [0,1,0,1,0,0|2,0,0]=4 19409 B15R1.975 CNC(=O)CCCSCCC1CCCC1 62a_100000741757_100000760354 [0,1,0,1,0,0|2,0,0]=4 19410 B15R1.975 CNC(=O)CCCSCCC1CCCC1 62a_100000760354_100000741757 [0,1,0,1,0,0|2,0,0]=4 19411 B15R1.975 CNC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000737683 [0,1,0,1,0,0|2,0,0]=4 19412 B15R1.975 CNC(=O)CCNCCCC1CCCC1 2230a_100000738227_100011713738 [0,1,0,1,0,0|2,0,0]=4 19413 B15R1.975 CNC(=O)CCNCCCC1CCCC1 34a_100000736752_100012179268 [0,1,0,1,0,0|2,0,0]=4 19414 B15R1.975 CNC(=O)CCNCCCC1CCCC1 34a_100000738227_100011713738 [0,1,0,1,0,0|2,0,0]=4 19415 B15R1.975 CNC(=O)CCOCCCC1CCCC1 34a_100000754576_100011713738 [0,1,0,1,0,0|2,0,0]=4 19416 B15R1.975 CNC(=O)CCOCCCC1CCCC1 34a_100011215328_100012179268 [0,1,0,1,0,0|2,0,0]=4 19417 B15R1.975 CNC(=O)CCOCCCC1CCCC1 7a_100011215328_100000737683 [0,1,0,1,0,0|2,0,0]=4 19418 B15R1.975 CNC(=O)CCSCCCC1CCCC1 62a_100000737683_100011713738 [0,1,0,1,0,0|2,0,0]=4 19419 B15R1.975 CNC(=O)CCSCCCC1CCCC1 62a_100011713738_100000737683 [0,1,0,1,0,0|2,0,0]=4 19420 B15R1.975 CNC(=O)NCCCCCN1CCCC1 2708a_100011491779_106832991635 [0,1,0,1,0,0|2,0,0]=4 19421 B15R1.975 CNC(=O)NCCCCCN1CCCC1 2708a_100102657272_100011491779 [0,1,0,1,0,0|2,0,0]=4 19422 B15R1.975 CNC(=O)NCCCCCN1CCCC1 273464a_100011491779_100102657272 [0,1,0,1,0,0|2,0,0]=4 19423 B15R1.975 CNC(=O)NCCCCCN1CCCC1 273464a_100102657272_100011491779 [0,1,0,1,0,0|2,0,0]=4 19424 B15R1.975 CNC(=O)NCCCCCN1CCCC1 512a_106832991638_100011491779 [0,1,0,1,0,0|2,0,0]=4 19425 B15R1.975 CNC(=O)NCCNCCC1CCCC1 34a_100015205895_100000760354 [0,1,0,1,0,0|2,0,0]=4 19426 B15R1.975 CNC(=O)OCCNCCC1CCCC1 34a_100000739158_200011997002 [0,1,0,1,0,0|1,0,0]=3 19427 B15R1.975 CNC(=O)OCCOCCC1CCCC1 34a_100000749090_200011997002 [0,1,0,1,0,0|1,0,0]=3 19428 B15R1.975 CNC(=O)OCCOCCC1CCCC1 7a_100000749090_200011997002 [0,1,0,1,0,0|1,0,0]=3 19429 B15R1.975 CNC(=O)OCCOCCC1CCNC1 34a_100016987287_200011997002 [0,1,0,1,0,0|2,0,0]=4 19430 B15R1.975 CNC(=O)OCCOCCC1CCOC1 34a_100011879284_200011997002 [0,1,0,1,0,0|2,0,0]=4 19431 B15R1.975 CNC(=O)OCCSCCC1CCCC1 62a_100000760354_200011997002 [0,1,0,1,0,0|1,0,0]=3 19432 B15R1.975 CNC(=O)OCCSCCC1CCCC1 62a_200011997002_100000760354 [0,1,0,1,0,0|1,0,0]=3 19433 B15R1.975 CNC(=O)OCCSCCN1CCCC1 62a_100000700749_200011997002 [0,1,0,1,0,0|2,0,0]=4 19434 B15R1.975 CNC(=O)OCCSCCN1CCCC1 62a_200011997002_100000004467 [0,1,0,1,0,0|2,0,0]=4 19435 B15R1.975 COC(=O)CCCCCCN1CCCC1 2230a_100000188435_100009815986 [0,1,0,1,0,0|2,0,0]=4 19436 B15R1.975 COC(=O)CCCCCCN1CCCC1 269982a_100000188435_100009815986 [0,1,0,1,0,0|2,0,0]=4 19437 B15R1.975 COC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009816466 [0,1,0,1,0,0|2,0,0]=4 19438 B15R1.975 COC(=O)CCCCCNC1CCCC1 34a_100000211070_100009816466 [0,1,0,1,0,0|2,0,0]=4 19439 B15R1.975 COC(=O)CCCCCOC1CCCC1 34a_100000074720_100000179811 [0,1,0,1,0,0|2,0,0]=4 19440 B15R1.975 COC(=O)CCCCCOC1CCCC1 34a_100000210269_100009816466 [0,1,0,1,0,0|2,0,0]=4 19441 B15R1.975 COC(=O)CCCCCOC1CCCC1 7a_100000074720_100000179811 [0,1,0,1,0,0|2,0,0]=4 19442 B15R1.975 COC(=O)CCCCCOC1CCCC1 7a_100000210269_100009816466 [0,1,0,1,0,0|2,0,0]=4 19443 B15R1.975 COC(=O)CCCCCSC1CCCC1 62a_100009816466_100000179811 [0,1,0,1,0,0|2,0,0]=4 19444 B15R1.975 COC(=O)CCCCCSC1CCCC1 62a_100011217020_100009816466 [0,1,0,1,0,0|2,0,0]=4 19445 B15R1.975 COC(=O)CCCCNCC1CCCC1 2230a_100000737975_100000204269 [0,1,0,1,0,0|2,0,0]=4 19446 B15R1.975 COC(=O)CCCCNCC1CCCC1 34a_100000737975_100000204269 [0,1,0,1,0,0|2,0,0]=4 19447 B15R1.975 COC(=O)CCCCOCC1CCCC1 34a_100000059025_100000740388 [0,1,0,1,0,0|2,0,0]=4 19448 B15R1.975 COC(=O)CCCCOCC1CCCC1 34a_100000742336_100000204269 [0,1,0,1,0,0|2,0,0]=4 19449 B15R1.975 COC(=O)CCCCOCC1CCCC1 7a_100000059025_100000740388 [0,1,0,1,0,0|2,0,0]=4 19450 B15R1.975 COC(=O)CCCCOCC1CCCC1 7a_100000742336_100000204269 [0,1,0,1,0,0|2,0,0]=4 19451 B15R1.975 COC(=O)CCCCSCC1CCCC1 62a_100000204269_100000740388 [0,1,0,1,0,0|2,0,0]=4 19452 B15R1.975 COC(=O)CCCCSCC1CCCC1 62a_100000740388_100000204269 [0,1,0,1,0,0|2,0,0]=4 19453 B15R1.975 COC(=O)CCCNCCC1CCCC1 2230a_100000739158_100011218270 [0,1,0,1,0,0|2,0,0]=4 19454 B15R1.975 COC(=O)CCCNCCC1CCCC1 34a_100000739158_100000742333 [0,1,0,1,0,0|2,0,0]=4 19455 B15R1.975 COC(=O)CCCOCCC1CCCC1 34a_100000749090_100000742333 [0,1,0,1,0,0|2,0,0]=4 19456 B15R1.975 COC(=O)CCCOCCC1CCCC1 7a_100000749090_100011218270 [0,1,0,1,0,0|2,0,0]=4 19457 B15R1.975 COC(=O)CCCSCCC1CCCC1 62a_100000760354_100011218270 [0,1,0,1,0,0|2,0,0]=4 19458 B15R1.975 COC(=O)CCCSCCC1CCCC1 62a_100011218270_100000760354 [0,1,0,1,0,0|2,0,0]=4 19459 B15R1.975 COC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000204255 [0,1,0,1,0,0|2,0,0]=4 19460 B15R1.975 COC(=O)CCNCCCC1CCCC1 34a_100000736752_100000742370 [0,1,0,1,0,0|2,0,0]=4 19461 B15R1.975 COC(=O)CCOCCCC1CCCC1 34a_100011215328_100000742370 [0,1,0,1,0,0|2,0,0]=4 19462 B15R1.975 COC(=O)CCOCCCC1CCCC1 7a_100011215328_100000204255 [0,1,0,1,0,0|2,0,0]=4 19463 B15R1.975 COC(=O)CCSCCCC1CCCC1 62a_100000204255_100011713738 [0,1,0,1,0,0|2,0,0]=4 19464 B15R1.975 COC(=O)CCSCCCC1CCCC1 62a_100011713738_100000204255 [0,1,0,1,0,0|2,0,0]=4 19465 B15R1.975 COC(=O)NCCOCCC1CCCC1 34a_100000757965_100000760354 [0,1,0,1,0,0|2,0,0]=4 19466 B15R1.975 COC(=O)OCCOCCC1CCCC1 34a_100010262106_100000760354 [0,1,0,1,0,0|1,0,0]=3 19467 B15R1.975 COC(=O)OCSCCCC1CCCC1 62a_100011713738_100000139417 [0,1,0,1,0,0|1,0,0]=3 19468 B15R1.975 COC(=O)OCSCCCN1CCCC1 62a_100016991639_100000139417 [0,1,0,1,0,0|2,0,0]=4 19469 B15R1.975 O=C(CO)NCCCCCN1CCCC1 240690a_100011491779_100000210174 [0,1,0,1,0,0|2,0,0]=4 19470 B15R1.1091 C=CC(=O)OCCNC1CCCCC1C 2230a_100000211402_100009813456 [0,1,0,1,0,0|1,0,1]=4 19471 B15R1.1091 C=CC(=O)OCCNC1CCCCC1C 34a_100000211402_100009813456 [0,1,0,1,0,0|1,0,1]=4 19472 B15R1.1091 C=CC(=O)OCCOC1CCCCC1C 34a_100000211207_100009813456 [0,1,0,1,0,0|1,0,1]=4 19473 B15R1.1091 C=CC(=O)OCCOC1CCCCC1C 7a_100000211207_100009813456 [0,1,0,1,0,0|1,0,1]=4 19474 B15R1.1091 CC1CCCCN1CCCNC(=O)CO 240690a_100000212276_100000210174 [0,1,0,1,0,0|2,0,0]=4 19475 B15R1.1091 CC1CCCCN1CCCNC(=O)CO 527a_100000212276_100000210174 [0,1,0,1,0,0|2,0,0]=4 19476 B15R1.1091 CCC(=O)NCCCN1CCCCC1C 240690a_100000212276_100000210414 [0,1,0,1,0,0|2,0,0]=4 19477 B15R1.1091 CCC(=O)NCCCN1CCCCC1C 527a_100000212276_100000210414 [0,1,0,1,0,0|2,0,0]=4 19478 B15R1.1091 CCC(=O)NCCNC1CCCCC1C 269862a_100132302217_100000210921 [0,1,0,1,0,0|2,0,0]=4 19479 B15R1.1091 CCC(=O)NCCNC1CCCCC1C 270004a_100132302217_100000210921 [0,1,0,1,0,0|2,0,0]=4 19480 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 2230a_100000211402_100000741757 [0,1,0,1,0,0|2,0,0]=4 19481 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 269862a_100000740002_100000210921 [0,1,0,1,0,0|2,0,0]=4 19482 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 270004a_100000740002_100000210921 [0,1,0,1,0,0|2,0,0]=4 19483 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 34a_100000211402_100000741757 [0,1,0,1,0,0|2,0,0]=4 19484 B15R1.1091 CNC(=O)CCCOC1CCCCC1C 34a_100000211207_100000741757 [0,1,0,1,0,0|2,0,0]=4 19485 B15R1.1091 CNC(=O)CCCOC1CCCCC1C 7a_100000211207_100000741757 [0,1,0,1,0,0|2,0,0]=4 19486 B15R1.1091 CNC(=O)NCCCN1CCCCC1C 2708a_100102657272_100000212276 [0,1,0,1,0,0|2,0,0]=4 19487 B15R1.1091 CNC(=O)NCCCN1CCCCC1C 273464a_100000212276_100102657272 [0,1,0,1,0,0|2,0,0]=4 19488 B15R1.1091 CNC(=O)NCCCN1CCCCC1C 273464a_100102657272_100000212276 [0,1,0,1,0,0|2,0,0]=4 19489 B15R1.1091 CNC(=O)NCCCN1CCCCC1C 512a_106832991638_100000212276 [0,1,0,1,0,0|2,0,0]=4 19490 B15R1.1091 CNC(=O)NCCNC1CCCCC1C 269862a_100015205895_100000210921 [0,1,0,1,0,0|2,0,0]=4 19491 B15R1.1091 CNC(=O)OCCNC1CCCCC1C 34a_100000211402_200011997002 [0,1,0,1,0,0|1,0,0]=3 19492 B15R1.1091 CNC(=O)OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200011997002 [0,1,0,1,0,0|2,0,0]=4 19493 B15R1.1091 CNC(=O)OCCOC1CCCCC1C 34a_100000211207_200011997002 [0,1,0,1,0,0|1,0,0]=3 19494 B15R1.1091 CNC(=O)OCCOC1CCCCC1C 7a_100000211207_200011997002 [0,1,0,1,0,0|1,0,0]=3 19495 B15R1.1091 CNC(=O)OCCOC1CCCCC1Cl 34a_100000038908_200011997002 [0,1,0,1,0,0|2,0,0]=4 19496 B15R1.1091 CNC(=O)OCCOC1CCCCC1Cl 7a_100000038908_200011997002 [0,1,0,1,0,0|2,0,0]=4 19497 B15R1.1091 CNC(=O)OCCOC1CCNCC1C 34a_100011998114_200011997002 [0,1,0,1,0,0|2,0,0]=4 19498 B15R1.1091 CNC(=O)OCCOC1CNCCC1C 34a_100000696640_200011997002 [0,1,0,1,0,0|2,0,0]=4 19499 B15R1.1091 CNC(=O)OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200011997002 [0,1,0,1,0,0|2,0,0]=4 19500 B15R1.1091 CNC(=O)OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200011997002 [0,1,0,1,0,0|2,0,0]=4 19501 B15R1.1091 CNC(=O)OCCO[C@H]1CCCC[C@H]1N 34a_100015191688_200011997002 [0,1,0,1,0,0|2,0,0]=4 19502 B15R1.1091 CNC(=O)OCCSC1CCCCC1F 62a_100015423560_200011997002 [0,1,0,1,0,0|2,0,0]=4 19503 B15R1.1091 CNC(=O)OCCSC1CCCCC1F 62a_200011997002_100015423560 [0,1,0,1,0,0|2,0,0]=4 19504 B15R1.1091 CNC(=O)OCCSC1CCCCC1O 62a_100000038908_200011997002 [0,1,0,1,0,0|2,0,0]=4 19505 B15R1.1091 CNC(=O)OCCSC1CCCCC1O 62a_200011997002_100000038908 [0,1,0,1,0,0|2,0,0]=4 19506 B15R1.1091 COC(=O)CCCCN1CCCCC1C 2230a_100000211376_100000204269 [0,1,0,1,0,0|2,0,0]=4 19507 B15R1.1091 COC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000204269 [0,1,0,1,0,0|2,0,0]=4 19508 B15R1.1091 COC(=O)CCCCN1CCCCC1C 34a_100000211376_100000204269 [0,1,0,1,0,0|2,0,0]=4 19509 B15R1.1091 COC(=O)CCCNC1CCCCC1C 2230a_100000211402_100011218270 [0,1,0,1,0,0|2,0,0]=4 19510 B15R1.1091 COC(=O)CCCNC1CCCCC1C 34a_100000211402_100000742333 [0,1,0,1,0,0|2,0,0]=4 19511 B15R1.1091 COC(=O)CCCOC1CCCCC1C 34a_100000211207_100000742333 [0,1,0,1,0,0|2,0,0]=4 19512 B15R1.1091 COC(=O)CCCOC1CCCCC1C 7a_100000211207_100011218270 [0,1,0,1,0,0|2,0,0]=4 19513 B15R1.1091 COC(=O)OCCOC1CCCCC1F 34a_100010262106_100015423560 [0,1,0,1,0,0|2,0,0]=4 19514 B15R1.1091 COC(=O)OCCOC1CCCCC1O 34a_100010262106_100000038908 [0,1,0,1,0,0|2,0,0]=4 19515 B15R1.1091 COC(=O)OCSCC1CCCCN1C 62a_100015185383_100000139417 [0,1,0,1,0,0|2,0,0]=4 19516 B15R1.1102 C=CC(=O)OCCCCCCN1CCC1 269982a_100000754969_100009894100 [0,1,0,1,0,0|1,0,1]=4 19517 B15R1.1102 COC(=O)CCCCCCCN1CCC1 269982a_100000754969_100010004213 [0,1,0,1,0,0|2,0,0]=4 19518 B15R1.1102 COC(=O)CCCCCCNC1CCC1 2230a_100000749019_100009815986 [0,1,0,1,0,0|2,0,0]=4 19519 B15R1.1102 COC(=O)CCCCCCNC1CCC1 34a_100000749019_100009815986 [0,1,0,1,0,0|2,0,0]=4 19520 B15R1.1102 COC(=O)CCCCCCOC1CCC1 34a_100000748187_100009815986 [0,1,0,1,0,0|2,0,0]=4 19521 B15R1.1102 COC(=O)CCCCCCOC1CCC1 34a_100009863599_100000749161 [0,1,0,1,0,0|2,0,0]=4 19522 B15R1.1102 COC(=O)CCCCCCSC1CCC1 62a_100009815986_100000749161 [0,1,0,1,0,0|2,0,0]=4 19523 B15R1.1102 COC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009816466 [0,1,0,1,0,0|2,0,0]=4 19524 B15R1.1102 COC(=O)CCCCCNCC1CCC1 34a_100000738700_100009816466 [0,1,0,1,0,0|2,0,0]=4 19525 B15R1.1102 COC(=O)CCCCCOCC1CCC1 34a_100000074720_100000763275 [0,1,0,1,0,0|2,0,0]=4 19526 B15R1.1102 COC(=O)CCCCCOCC1CCC1 34a_100000760304_100009816466 [0,1,0,1,0,0|2,0,0]=4 19527 B15R1.1102 COC(=O)CCCCCOCC1CCC1 7a_100000074720_100000763275 [0,1,0,1,0,0|2,0,0]=4 19528 B15R1.1102 COC(=O)CCCCCSCC1CCC1 62a_100000763275_100009816466 [0,1,0,1,0,0|2,0,0]=4 19529 B15R1.1102 COC(=O)CCCCCSCC1CCC1 62a_100009816466_100000763275 [0,1,0,1,0,0|2,0,0]=4 19530 B15R1.1191 CCC(=O)N1CCCCC1CCCOC 11a_100011804088_100000210414 [0,1,0,1,0,0|2,0,0]=4 19531 B15R1.1191 CCC(=O)N1CCCCC1CCCOC 1626a_100011804088_100000210414 [0,1,0,1,0,0|2,0,0]=4 19532 B15R1.1191 CCC(=O)N1CCCCC1CCCOC 240690a_100011804088_100000210414 [0,1,0,1,0,0|2,0,0]=4 19533 B15R1.1191 CCC(=O)N1CCCCC1CCCOC 527a_100011804088_100000210414 [0,1,0,1,0,0|2,0,0]=4 19534 B15R1.1191 CCCCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210326 [0,1,0,1,0,0|2,0,0]=4 19535 B15R1.1191 CCCCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210215 [0,1,0,1,0,0|2,0,0]=4 19536 B15R1.1191 CCCCCN1CCCCC1C(=O)NC 34a_100011209383_100000718602 [0,1,0,1,0,0|2,0,0]=4 19537 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210326 [0,1,0,1,0,0|2,0,0]=4 19538 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210215 [0,1,0,1,0,0|2,0,0]=4 19539 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 34a_100000734855_100000718602 [0,1,0,1,0,0|2,0,0]=4 19540 B15R1.1191 CCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210210 [0,1,0,1,0,0|2,0,0]=4 19541 B15R1.1191 CCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210211 [0,1,0,1,0,0|2,0,0]=4 19542 B15R1.1191 CNC(=O)N1CCCCC1CCCOC 2708a_100102657272_100011804088 [0,1,0,1,0,0|2,0,0]=4 19543 B15R1.1191 CNC(=O)N1CCCCC1CCCOC 273464a_100102657272_100011804088 [0,1,0,1,0,0|2,0,0]=4 19544 B15R1.1191 COCCCC1CCCCN1C(=O)CO 240690a_100011804088_100000210174 [0,1,0,1,0,0|2,0,0]=4 19545 B15R1.1191 COCCCC1CCCCN1C(=O)CO 527a_100011804088_100000210174 [0,1,0,1,0,0|2,0,0]=4 19546 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210326 [0,1,0,1,0,0|2,0,0]=4 19547 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210215 [0,1,0,1,0,0|2,0,0]=4 19548 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000718602 [0,1,0,1,0,0|2,0,0]=4 19549 B15R1.3174 CNC(=O)OCCOCC1CCCN1C 34a_100000743107_200011997002 [0,1,0,1,0,0|2,0,0]=4 19550 B15R1.3174 COC(=O)CCCCCN1CCC[C@@H]1C 2230a_100020605311_100009816466 [0,1,0,1,0,0|2,0,0]=4 19551 B15R1.3174 COC(=O)CCCCCN1CCC[C@@H]1C 269982a_100020605311_100009816466 [0,1,0,1,0,0|2,0,0]=4 19552 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 2230a_100015189458_100009816466 [0,1,0,1,0,0|2,0,0]=4 19553 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 269982a_100015189458_100009816466 [0,1,0,1,0,0|2,0,0]=4 19554 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 34a_100015189458_100009816466 [0,1,0,1,0,0|2,0,0]=4 19555 B15R1.3174 COC(=O)CCCCOC1CCCC1C 34a_100011216460_100000204269 [0,1,0,1,0,0|2,0,0]=4 19556 B15R1.3174 COC(=O)CCCCOC1CCCC1C 7a_100011216460_100000204269 [0,1,0,1,0,0|2,0,0]=4 19557 B15R1.3174 COC(=O)OCSCCC1CCCN1C 62a_100000005710_100000139417 [0,1,0,1,0,0|2,0,0]=4 19558 B15R1.3179 COC(=O)CCCCCCN1CCC1C 269982a_100000755817_100009815986 [0,1,0,1,0,0|2,0,0]=4 19559 B15R1.3179 COC(=O)CCCCCCN1CCC1C 34a_100000755817_100009815986 [0,1,0,1,0,0|2,0,0]=4 19560 B15R1.3523 CCCCCCCCCNC1CCC1=O 34a_100000212291_100009892977 [0,1,0,1,0,0|2,0,0]=4 19561 B15R1.3523 CCCCCCCCCOC1CCC1=O 34a_100000210712_100009892977 [0,1,0,1,0,0|2,0,0]=4 19562 B15R1.3523 CCCCCCCCCOC1CCC1=O 7a_100000210712_100009892977 [0,1,0,1,0,0|2,0,0]=4 19563 B15R1.3523 CCCCCCCCCSC1CCC1=O 62a_100009892977_100000210670 [0,1,0,1,0,0|2,0,0]=4 19564 B15R1.3523 CCCCCCCNCCC1CCC1=O 2230a_100000229938_200016118888 [0,1,0,1,0,0|2,0,0]=4 19565 B15R1.3523 CCCCCCCOCCC1CCC1=O 7a_100000210272_200016118888 [0,1,0,1,0,0|2,0,0]=4 19566 B15R1.3523 CCCCCCCSCCC1CCC1=O 62a_100000210614_200016118888 [0,1,0,1,0,0|2,0,0]=4 19567 B15R1.3523 CCCCCCCSCCC1CCC1=O 62a_200016118888_100000210316 [0,1,0,1,0,0|2,0,0]=4 19568 B15R1.3529 CCC(=O)NCCNC1CCCC1CC 269862a_100132302217_100000749056 [0,1,0,1,0,0|2,0,0]=4 19569 B15R1.3529 CCC(=O)NCCNC1CCCC1CC 270004a_100132302217_100000749056 [0,1,0,1,0,0|2,0,0]=4 19570 B15R1.3529 CCC1CCCC1NCCCC(=O)NC 269862a_100000740002_100000749056 [0,1,0,1,0,0|2,0,0]=4 19571 B15R1.3529 CCC1CCCC1NCCCC(=O)NC 270004a_100000740002_100000749056 [0,1,0,1,0,0|2,0,0]=4 19572 B15R1.3529 CCC1CCCC1NCCNC(=O)NC 269862a_100015205895_100000749056 [0,1,0,1,0,0|2,0,0]=4 19573 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 2230a_100000754278_100000204269 [0,1,0,1,0,0|2,0,0]=4 19574 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 269982a_100000754278_100000204269 [0,1,0,1,0,0|2,0,0]=4 19575 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 34a_100000754278_100000204269 [0,1,0,1,0,0|2,0,0]=4 19576 B15R1.4155 CCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210681 [0,1,0,1,0,0|2,0,0]=4 19577 B15R1.4155 CCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210681 [0,1,0,1,0,0|2,0,0]=4 19578 B15R1.6326 CCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210759 [0,1,0,1,0,0|2,0,0]=4 19579 B15R1.11427 CNC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000737683 [0,1,0,1,0,0|2,0,0]=4 19580 B15R1.11427 CNC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000737683 [0,1,0,1,0,0|2,0,0]=4 19581 B15R1.11427 CNC(=O)CCN1CCCCCCCC1 34a_100000039187_100012179268 [0,1,0,1,0,0|2,0,0]=4 19582 B15R1.11427 CNC(=O)CNC1CCCCCCCC1 270004a_100000693194_100000038600 [0,1,0,1,0,0|2,0,0]=4 19583 B15R1.11427 COC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000204255 [0,1,0,1,0,0|2,0,0]=4 19584 B15R1.11427 COC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000204255 [0,1,0,1,0,0|2,0,0]=4 19585 B15R1.11427 COC(=O)CCN1CCCCCCCC1 34a_100000039187_100000742370 [0,1,0,1,0,0|2,0,0]=4 19586 B15R1.12309 C=CC(=O)OCCNC1CCCCCC1 2230a_100000210984_100009813456 [0,1,0,1,0,0|1,0,1]=4 19587 B15R1.12309 C=CC(=O)OCCNC1CCCCCC1 34a_100000210984_100009813456 [0,1,0,1,0,0|1,0,1]=4 19588 B15R1.12309 C=CC(=O)OCCOC1CCCCCC1 34a_100000210887_100009813456 [0,1,0,1,0,0|1,0,1]=4 19589 B15R1.12309 C=CC(=O)OCCOC1CCCCCC1 7a_100000210887_100009813456 [0,1,0,1,0,0|1,0,1]=4 19590 B15R1.12309 C=CC(=O)OCCSC1CCCCCC1 62a_100009813456_100011217769 [0,1,0,1,0,0|1,0,1]=4 19591 B15R1.12309 C=CC(=O)OCCSC1CCCCCC1 62a_100011217769_100009813456 [0,1,0,1,0,0|1,0,1]=4 19592 B15R1.12309 CCC(=O)NCCCN1CCCCCC1 11a_100000181460_100000210414 [0,1,0,1,0,0|2,0,0]=4 19593 B15R1.12309 CCC(=O)NCCCN1CCCCCC1 240690a_100000181460_100000210414 [0,1,0,1,0,0|2,0,0]=4 19594 B15R1.12309 CCC(=O)NCCCN1CCCCCC1 527a_100000181460_100000210414 [0,1,0,1,0,0|2,0,0]=4 19595 B15R1.12309 CCC(=O)NCCNC1CCCCCC1 270004a_100132302217_100000210131 [0,1,0,1,0,0|2,0,0]=4 19596 B15R1.12309 CCC(=O)NCCNC1CCCCCC1 34a_100132302217_100011217769 [0,1,0,1,0,0|2,0,0]=4 19597 B15R1.12309 CCC(=O)NCCOC1CCCCCC1 34a_200000158885_100011217769 [0,1,0,1,0,0|2,0,0]=4 19598 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 2230a_100000210984_100000741757 [0,1,0,1,0,0|2,0,0]=4 19599 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 270004a_100000740002_100000210131 [0,1,0,1,0,0|2,0,0]=4 19600 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 34a_100000210984_100000741757 [0,1,0,1,0,0|2,0,0]=4 19601 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 34a_100000740002_100011217769 [0,1,0,1,0,0|2,0,0]=4 19602 B15R1.12309 CNC(=O)CCCOC1CCCCCC1 34a_100000210887_100000741757 [0,1,0,1,0,0|2,0,0]=4 19603 B15R1.12309 CNC(=O)CCCOC1CCCCCC1 7a_100000210887_100000741757 [0,1,0,1,0,0|2,0,0]=4 19604 B15R1.12309 CNC(=O)CCCSC1CCCCCC1 62a_100000741757_100011217769 [0,1,0,1,0,0|2,0,0]=4 19605 B15R1.12309 CNC(=O)CCCSC1CCCCCC1 62a_100011217769_100000741757 [0,1,0,1,0,0|2,0,0]=4 19606 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 2230a_100000738227_200000696569 [0,1,0,1,0,0|2,0,0]=4 19607 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000737683 [0,1,0,1,0,0|2,0,0]=4 19608 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 269862a_100000738227_200000763224 [0,1,0,1,0,0|2,0,0]=4 19609 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 34a_100000738227_200000696569 [0,1,0,1,0,0|2,0,0]=4 19610 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 34a_100015204231_100012179268 [0,1,0,1,0,0|2,0,0]=4 19611 B15R1.12309 CNC(=O)CCOCC1CCCCCC1 34a_100000699130_100012179268 [0,1,0,1,0,0|2,0,0]=4 19612 B15R1.12309 CNC(=O)CCOCC1CCCCCC1 34a_100000754576_200000696569 [0,1,0,1,0,0|2,0,0]=4 19613 B15R1.12309 CNC(=O)CCOCC1CCCCCC1 7a_100000699130_100000737683 [0,1,0,1,0,0|2,0,0]=4 19614 B15R1.12309 CNC(=O)CCSCC1CCCCCC1 62a_100000737683_200000696569 [0,1,0,1,0,0|2,0,0]=4 19615 B15R1.12309 CNC(=O)CCSCC1CCCCCC1 62a_200000696569_100000737683 [0,1,0,1,0,0|2,0,0]=4 19616 B15R1.12309 CNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183359 [0,1,0,1,0,0|2,0,0]=4 19617 B15R1.12309 CNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000183359 [0,1,0,1,0,0|2,0,0]=4 19618 B15R1.12309 CNC(=O)NCCCN1CCCCCC1 2708a_100102657272_100000181460 [0,1,0,1,0,0|2,0,0]=4 19619 B15R1.12309 CNC(=O)NCCCN1CCCCCC1 273464a_100000181460_100102657272 [0,1,0,1,0,0|2,0,0]=4 19620 B15R1.12309 CNC(=O)NCCCN1CCCCCC1 273464a_100102657272_100000181460 [0,1,0,1,0,0|2,0,0]=4 19621 B15R1.12309 CNC(=O)NCCCN1CCCCCC1 512a_100000181460_100102657272 [0,1,0,1,0,0|2,0,0]=4 19622 B15R1.12309 CNC(=O)NCCCN1CCCCCC1 512a_106832991638_100000181460 [0,1,0,1,0,0|2,0,0]=4 19623 B15R1.12309 CNC(=O)NCCNC1CCCCCC1 34a_100015205895_100011217769 [0,1,0,1,0,0|2,0,0]=4 19624 B15R1.12309 CNC(=O)OCCNC1CCCCCC1 34a_100000210984_200011997002 [0,1,0,1,0,0|1,0,0]=3 19625 B15R1.12309 CNC(=O)OCCOC1CCCCCC1 34a_100000210887_200011997002 [0,1,0,1,0,0|1,0,0]=3 19626 B15R1.12309 CNC(=O)OCCOC1CCCCCC1 7a_100000210887_200011997002 [0,1,0,1,0,0|1,0,0]=3 19627 B15R1.12309 CNC(=O)OCCSC1CCCCCC1 62a_100011217769_200011997002 [0,1,0,1,0,0|1,0,0]=3 19628 B15R1.12309 CNC(=O)OCCSC1CCCCCC1 62a_200011997002_100011217769 [0,1,0,1,0,0|1,0,0]=3 19629 B15R1.12309 COC(=O)CCCCN1CCCCCC1 2230a_100000185865_100000204269 [0,1,0,1,0,0|2,0,0]=4 19630 B15R1.12309 COC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000204269 [0,1,0,1,0,0|2,0,0]=4 19631 B15R1.12309 COC(=O)CCCCN1CCCCCC1 34a_100000185865_100000204269 [0,1,0,1,0,0|2,0,0]=4 19632 B15R1.12309 COC(=O)CCCNC1CCCCCC1 2230a_100000210984_100011218270 [0,1,0,1,0,0|2,0,0]=4 19633 B15R1.12309 COC(=O)CCCNC1CCCCCC1 34a_100000210984_100000742333 [0,1,0,1,0,0|2,0,0]=4 19634 B15R1.12309 COC(=O)CCCOC1CCCCCC1 34a_100000210887_100000742333 [0,1,0,1,0,0|2,0,0]=4 19635 B15R1.12309 COC(=O)CCCOC1CCCCCC1 7a_100000210887_100011218270 [0,1,0,1,0,0|2,0,0]=4 19636 B15R1.12309 COC(=O)CCCSC1CCCCCC1 62a_100011217769_100011218270 [0,1,0,1,0,0|2,0,0]=4 19637 B15R1.12309 COC(=O)CCCSC1CCCCCC1 62a_100011218270_100011217769 [0,1,0,1,0,0|2,0,0]=4 19638 B15R1.12309 COC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000204255 [0,1,0,1,0,0|2,0,0]=4 19639 B15R1.12309 COC(=O)CCNCC1CCCCCC1 34a_100015204231_100000742370 [0,1,0,1,0,0|2,0,0]=4 19640 B15R1.12309 COC(=O)CCOCC1CCCCCC1 34a_100000699130_100000742370 [0,1,0,1,0,0|2,0,0]=4 19641 B15R1.12309 COC(=O)CCOCC1CCCCCC1 7a_100000699130_100000204255 [0,1,0,1,0,0|2,0,0]=4 19642 B15R1.12309 COC(=O)CCSCC1CCCCCC1 62a_100000204255_200000696569 [0,1,0,1,0,0|2,0,0]=4 19643 B15R1.12309 COC(=O)CCSCC1CCCCCC1 62a_200000696569_100000204255 [0,1,0,1,0,0|2,0,0]=4 19644 B15R1.12309 COC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747449 [0,1,0,1,0,0|2,0,0]=4 19645 B15R1.12309 COC(=O)CNCCC1CCCCCC1 34a_100011532351_100000747449 [0,1,0,1,0,0|2,0,0]=4 19646 B15R1.12309 COC(=O)NCCOC1CCCCCC1 34a_100000757965_100011217769 [0,1,0,1,0,0|2,0,0]=4 19647 B15R1.12309 COC(=O)OCCOC1CCCCCC1 34a_100010262106_100011217769 [0,1,0,1,0,0|1,0,0]=3 19648 B15R1.12309 COC(=O)OCSCC1CCCCCC1 62a_200000696569_100000139417 [0,1,0,1,0,0|1,0,0]=3 19649 B15R1.12309 O=C(CO)NCCCN1CCCCCC1 240690a_100000181460_100000210174 [0,1,0,1,0,0|2,0,0]=4 19650 B15R1.12309 O=C(CO)NCCCN1CCCCCC1 527a_100000181460_100000210174 [0,1,0,1,0,0|2,0,0]=4 19651 B15R1.12436 C=CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000185746 [0,1,0,1,0,0|1,0,1]=4 19652 B15R1.12436 C=CC(=O)NCCC1CCCCCCC1 240690a_100011532352_200121576911 [0,1,0,1,0,0|1,0,1]=4 19653 B15R1.12436 C=CC(=O)OCCN1CCCCCCC1 2230a_100000211400_100009813456 [0,1,0,1,0,0|1,0,1]=4 19654 B15R1.12436 C=CC(=O)OCCN1CCCCCCC1 269982a_100000211400_100009813456 [0,1,0,1,0,0|1,0,1]=4 19655 B15R1.12436 C=CC(=O)OCCN1CCCCCCC1 34a_100000211400_100009813456 [0,1,0,1,0,0|1,0,1]=4 19656 B15R1.12436 CCC(=O)COCC1CCCCCCC1 7a_100011216312_100000747405 [0,1,0,1,0,0|2,0,0]=4 19657 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000210414 [0,1,0,1,0,0|1,0,0]=3 19658 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000210414 [0,1,0,1,0,0|1,0,0]=3 19659 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000210414 [0,1,0,1,0,0|1,0,0]=3 19660 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000210414 [0,1,0,1,0,0|1,0,0]=3 19661 B15R1.12436 CNC(=O)CCCN1CCCCCCC1 2230a_100000211400_100000741757 [0,1,0,1,0,0|2,0,0]=4 19662 B15R1.12436 CNC(=O)CCCN1CCCCCCC1 269982a_100000211400_100000741757 [0,1,0,1,0,0|2,0,0]=4 19663 B15R1.12436 CNC(=O)CCCN1CCCCCCC1 34a_100000211400_100000741757 [0,1,0,1,0,0|2,0,0]=4 19664 B15R1.12436 CNC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000737683 [0,1,0,1,0,0|2,0,0]=4 19665 B15R1.12436 CNC(=O)CCNC1CCCCCCC1 270004a_100000738227_100000210524 [0,1,0,1,0,0|2,0,0]=4 19666 B15R1.12436 CNC(=O)CCNC1CCCCCCC1 34a_100000211152_100012179268 [0,1,0,1,0,0|2,0,0]=4 19667 B15R1.12436 CNC(=O)CCOC1CCCCCCC1 34a_100000210054_100012179268 [0,1,0,1,0,0|2,0,0]=4 19668 B15R1.12436 CNC(=O)CCOC1CCCCCCC1 7a_100000210054_100000737683 [0,1,0,1,0,0|2,0,0]=4 19669 B15R1.12436 CNC(=O)COCC1CCCCCCC1 34a_100011216312_100000183359 [0,1,0,1,0,0|2,0,0]=4 19670 B15R1.12436 CNC(=O)COCC1CCCCCCC1 7a_100011216312_100000183359 [0,1,0,1,0,0|2,0,0]=4 19671 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 2708a_100011532352_106832991635 [0,1,0,1,0,0|1,0,0]=3 19672 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 2708a_100102657272_100011532352 [0,1,0,1,0,0|1,0,0]=3 19673 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100102657272 [0,1,0,1,0,0|1,0,0]=3 19674 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 273464a_100102657272_100011532352 [0,1,0,1,0,0|1,0,0]=3 19675 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 512a_106832991638_100011532352 [0,1,0,1,0,0|1,0,0]=3 19676 B15R1.12436 CNC(=O)OCCN1CCCCCCC1 269982a_100000211400_200011997002 [0,1,0,1,0,0|1,0,0]=3 19677 B15R1.12436 CNC(=O)OCCN1CCCCCCC1 34a_100000211400_200011997002 [0,1,0,1,0,0|1,0,0]=3 19678 B15R1.12436 COC(=O)CCCN1CCCCCCC1 2230a_100000211400_100011218270 [0,1,0,1,0,0|2,0,0]=4 19679 B15R1.12436 COC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011218270 [0,1,0,1,0,0|2,0,0]=4 19680 B15R1.12436 COC(=O)CCCN1CCCCCCC1 34a_100000211400_100000742333 [0,1,0,1,0,0|2,0,0]=4 19681 B15R1.12436 COC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000204255 [0,1,0,1,0,0|2,0,0]=4 19682 B15R1.12436 COC(=O)CCNC1CCCCCCC1 34a_100000211152_100000742370 [0,1,0,1,0,0|2,0,0]=4 19683 B15R1.12436 COC(=O)CCOC1CCCCCCC1 34a_100000210054_100000742370 [0,1,0,1,0,0|2,0,0]=4 19684 B15R1.12436 COC(=O)CCOC1CCCCCCC1 7a_100000210054_100000204255 [0,1,0,1,0,0|2,0,0]=4 19685 B15R1.12436 COC(=O)COCC1CCCCCCC1 34a_100011216312_100000747449 [0,1,0,1,0,0|2,0,0]=4 19686 B15R1.12436 COC(=O)COCC1CCCCCCC1 7a_100011216312_100000747449 [0,1,0,1,0,0|2,0,0]=4 19687 B15R1.12436 O=C(CO)NCCC1CCCCCCC1 240690a_100011532352_100000210174 [0,1,0,1,0,0|1,0,0]=3 19688 B15R1.12436 O=C(CO)NCCC1CCCCCCC1 527a_100011532352_100000210174 [0,1,0,1,0,0|1,0,0]=3 19689 B15R1.87 CCC1CCCCC1OCC(=O)C(=O)C 34a_100000210738_100011261029 [0,1,0,1,0,0|2,0,0]=4 19690 B15R1.237 CCCCCOC1CCCN(C1)C(=O)C 7a_200011196156_100000210326 [0,1,0,1,0,0|2,0,0]=4 19691 B15R1.237 CCCCNCC1CCCN(C1)C(=O)C 2230a_100000724452_100000210211 [0,1,0,1,0,0|2,0,0]=4 19692 B15R1.237 CCCCOCC1CCCN(C1)C(=O)C 34a_200000689997_100000210210 [0,1,0,1,0,0|2,0,0]=4 19693 B15R1.237 CCCCOCC1CCCN(C1)C(=O)C 7a_200000689997_100000210211 [0,1,0,1,0,0|2,0,0]=4 19694 B15R1.272 CCCC1CCCCC1OC(C)C(=O)C 7a_100011217265_100000179758 [0,1,0,1,0,0|2,0,0]=4 19695 B15R1.272 CCCC1CCCCN1CC(=O)C(=O)C 269982a_100000701414_100011261029 [0,1,0,1,0,0|2,0,0]=4 19696 B15R1.272 CCCC1CCCCN1CC(=O)C(=O)C 34a_100000701414_100011261029 [0,1,0,1,0,0|2,0,0]=4 19697 B15R1.3664 CC(=O)C(=O)CNCCC1CCCCC1 34a_100000738074_100011261029 [0,1,0,1,0,0|2,0,0]=4 19698 B15R1.3664 CC(=O)C(=O)COCCC1CCCCC1 34a_100011217863_100011261029 [0,1,0,1,0,0|2,0,0]=4 19699 B15R1.3664 CC(=O)C(=O)CSCCC1CCCCC1 62a_100011261029_100012355289 [0,1,0,1,0,0|2,0,0]=4 19700 B15R1.3664 CC(=O)C(=O)CSCCC1CCCCC1 62a_100012355289_100011261029 [0,1,0,1,0,0|2,0,0]=4 19701 B15R1.3664 CC(=O)C(C)COCCC1CCCCC1 34a_100000032740_100011209188 [0,1,0,1,0,0|2,0,0]=4 19702 B15R1.3664 CC(=O)C(C)COCCC1CCCCC1 7a_100000032740_100011273959 [0,1,0,1,0,0|2,0,0]=4 19703 B15R1.3664 CC(=O)C(C)NCCCC1CCCCC1 2230a_100011211642_100009814033 [0,1,0,1,0,0|2,0,0]=4 19704 B15R1.3664 CC(=O)C(C)OCCCC1CCCCC1 34a_100000212229_100011713725 [0,1,0,1,0,0|2,0,0]=4 19705 B15R1.3664 CC(=O)C(C)OCCCC1CCCCC1 7a_100000198086_100000179758 [0,1,0,1,0,0|2,0,0]=4 19706 B15R1.3664 CC(=O)C(C)SCCCC1CCCCC1 62a_100009814033_100011713725 [0,1,0,1,0,0|2,0,0]=4 19707 B15R1.3664 CC(=O)C(C)SCCCC1CCCCC1 62a_100011713725_100009814033 [0,1,0,1,0,0|2,0,0]=4 19708 B15R1.3670 CC(=O)C(=O)CNCCCC1CCCC1 34a_100000736752_100011261029 [0,1,0,1,0,0|2,0,0]=4 19709 B15R1.3670 CC(=O)C(=O)COCCCC1CCCC1 34a_100011215328_100011261029 [0,1,0,1,0,0|2,0,0]=4 19710 B15R1.3670 CC(=O)C(=O)CSCCCC1CCCC1 62a_100011261029_100011713738 [0,1,0,1,0,0|2,0,0]=4 19711 B15R1.3670 CC(=O)C(=O)CSCCCC1CCCC1 62a_100011713738_100011261029 [0,1,0,1,0,0|2,0,0]=4 19712 B15R1.3670 CC(=O)C(C)COCCCC1CCCC1 34a_100000032740_100011713738 [0,1,0,1,0,0|2,0,0]=4 19713 B15R1.3670 CC(=O)C(C)COCCCC1CCCC1 7a_100000032740_100011713738 [0,1,0,1,0,0|2,0,0]=4 19714 B15R1.5366 CCCCCCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210681 [0,1,0,1,0,0|2,0,0]=4 19715 B15R1.5366 CCCCCCCNC1CC(=O)N(C1)C 34a_100000748898_100000210614 [0,1,0,1,0,0|2,0,0]=4 19716 B15R1.5366 CCCCCCOCC1CC(=O)N(C1)C 34a_100015185614_100000210314 [0,1,0,1,0,0|2,0,0]=4 19717 B15R1.6330 CCCCCCCNC1CN(C1)C(=O)C 2230a_100102955437_100000210681 [0,1,0,1,0,0|2,0,0]=4 19718 B15R1.6369 CCCCCCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210314 [0,1,0,1,0,0|2,0,0]=4 19719 B15R1.6369 CCCCCCN1CCCN(C(=O)C1)C 269982a_100000709885_100000210757 [0,1,0,1,0,0|2,0,0]=4 19720 B15R1.6369 CCCCCCN1CCCN(C(=O)C1)C 34a_100000709885_100000210314 [0,1,0,1,0,0|2,0,0]=4 19721 B15R1.12032 CCCCCCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210681 [0,1,0,1,0,0|2,0,0]=4 19722 B15R1.12032 CCCCCCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210681 [0,1,0,1,0,0|2,0,0]=4 19723 B15R1.12032 CCCCCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210314 [0,1,0,1,0,0|2,0,0]=4 19724 B15R1.12032 CCCCCCNC1CCN(C(=O)C1)C 34a_100000126938_100000210314 [0,1,0,1,0,0|2,0,0]=4 19725 B15R1.15940 CC(=O)C(=O)CNCC1CCCCCC1 34a_100015204231_100011261029 [0,1,0,1,0,0|2,0,0]=4 19726 B15R1.15940 CC(=O)C(=O)COCC1CCCCCC1 34a_100000699130_100011261029 [0,1,0,1,0,0|2,0,0]=4 19727 B15R1.15940 CC(=O)C(=O)CSCC1CCCCCC1 62a_100011261029_200000696569 [0,1,0,1,0,0|2,0,0]=4 19728 B15R1.15940 CC(=O)C(=O)CSCC1CCCCCC1 62a_200000696569_100011261029 [0,1,0,1,0,0|2,0,0]=4 19729 B15R1.15940 CC(=O)C(C)COCC1CCCCCC1 34a_100000032740_200000696569 [0,1,0,1,0,0|2,0,0]=4 19730 B15R1.15940 CC(=O)C(C)COCC1CCCCCC1 7a_100000032740_200000696569 [0,1,0,1,0,0|2,0,0]=4 19731 B15R1.15940 CC(=O)C(C)NCCC1CCCCCC1 2230a_100011532351_100009814033 [0,1,0,1,0,0|2,0,0]=4 19732 B15R1.15940 CC(=O)N(C)CCCN1CCCCCC1 240690a_200000231118_100015343762 [0,1,0,1,0,0|2,0,0]=4 19733 B15R1.15940 CC(=O)N(C)CCCN1CCCCCC1 527a_200000231118_100103153847 [0,1,0,1,0,0|2,0,0]=4 19734 B15R1.15979 CC(=O)C(=O)CNC1CCCCCCC1 34a_100000211152_100011261029 [0,1,0,1,0,0|2,0,0]=4 19735 B15R1.15979 CC(=O)C(=O)COC1CCCCCCC1 34a_100000210054_100011261029 [0,1,0,1,0,0|2,0,0]=4 19736 B15R1.15979 CC(=O)C(C)OCC1CCCCCCC1 7a_100011216312_100000179758 [0,1,0,1,0,0|2,0,0]=4 19737 B15R1.16044 CC(=O)C(=O)CN1CCCCCCCC1 269982a_100000039187_100011261029 [0,1,0,1,0,0|2,0,0]=4 19738 B15R1.16044 CC(=O)C(=O)CN1CCCCCCCC1 34a_100000039187_100011261029 [0,1,0,1,0,0|2,0,0]=4 19739 B15R1.86 CCC1CCCCN1C(=O)COC(=O)C 1626a_100000210034_100000183556 [0,1,0,1,0,0|1,0,1]=4 19740 B15R1.86 CCC1CCCCN1C(=O)COC(=O)C 240690a_100000210034_100000183556 [0,1,0,1,0,0|1,0,1]=4 19741 B15R1.86 CCC1CCCCN1C(=O)COC(=O)C 527a_100000210034_100000183556 [0,1,0,1,0,0|1,0,1]=4 19742 B15R1.86 CCC1CCCCN1C(C)COC(=O)C 270004a_100000210034_100000000629 [0,1,0,1,0,0|1,0,0]=3 19743 B15R1.86 CC[C@H]1COCCN1C(C)COC(=O)C 270004a_100016988097_100000000629 [0,1,0,1,0,0|2,0,0]=4 19744 B15R1.256 CC(=O)OCC(=O)CC1CCCCN1C 1458a_100000183556_100015185383 [0,1,0,1,0,0|1,0,1]=4 19745 B15R1.256 CC(=O)OCC(=O)CN1CCCCC1C 269982a_100000211376_100000036994 [0,1,0,1,0,0|1,0,1]=4 19746 B15R1.256 CC(=O)OCC(=O)CN1CCCCC1C 34a_100000211376_100000036994 [0,1,0,1,0,0|1,0,1]=4 19747 B15R1.256 CC(=O)OCC(=O)NC1CCCCC1C 1626a_100000211402_100000183556 [0,1,0,1,0,0|1,0,1]=4 19748 B15R1.256 CC(=O)OCC(=O)NC1CCCCC1C 240690a_100000211402_100000183556 [0,1,0,1,0,0|1,0,1]=4 19749 B15R1.256 CC(=O)OCC(=O)NC1CCCCC1C 527a_100000211402_100000183556 [0,1,0,1,0,0|1,0,1]=4 19750 B15R1.256 CC(=O)OCC(C)NC1CCCCC1C 270004a_100000211402_100000000629 [0,1,0,1,0,0|1,0,0]=3 19751 B15R1.256 CC(=O)OCC(C)N[C@@H]1CCCC[C@@H]1O 270004a_100015191688_100000000629 [0,1,0,1,0,0|2,0,0]=4 19752 B15R1.256 CC(=O)OCC(C)N[C@@H]1CCCC[C@H]1F 270004a_100015195156_100000000629 [0,1,0,1,0,0|2,0,0]=4 19753 B15R1.256 CC(=O)OCC(O)CN1CCCCC1C 269982a_100000211376_200000139349 [0,1,0,1,0,0|1,0,0]=3 19754 B15R1.256 CC(=O)OCC(O)CN1CCCCC1C 34a_100000211376_200000139349 [0,1,0,1,0,0|1,0,0]=3 19755 B15R1.256 CC(=O)OCC(O)CN1CCOC[C@@H]1C 269982a_100009815349_200000139349 [0,1,0,1,0,0|2,0,0]=4 19756 B15R1.256 CC(=O)OCC(O)CN1CCOC[C@@H]1C 34a_100009815349_200000139349 [0,1,0,1,0,0|2,0,0]=4 19757 B15R1.256 CC(=O)OCN(C)CC1CCCCN1C 269982a_100015185953_100000076356 [0,1,0,1,0,0|2,0,0]=4 19758 B15R1.256 CC(=O)SCC(C)CN1CCCCC1C 2230a_100000211376_200000116872 [0,1,0,1,0,0|1,1,0]=4 19759 B15R1.256 CC(=O)SCC(C)CN1CCCCC1C 269982a_100000211376_200000116872 [0,1,0,1,0,0|1,1,0]=4 19760 B15R1.256 CC(=O)SCC(C)CN1CCCCC1C 34a_100000211376_200000116872 [0,1,0,1,0,0|1,1,0]=4 19761 B15R1.279 COCC1CCN1CC(O)COC(=O)C 269982a_100015195929_200000139349 [0,1,0,1,0,0|2,0,0]=4 19762 B15R1.279 COCC1CCN1CC(O)COC(=O)C 34a_100015195929_200000139349 [0,1,0,1,0,0|2,0,0]=4 19763 B15R1.355 CC(=O)OCC(=O)CCC1CCCN1C 1458a_100000183556_100000005710 [0,1,0,1,0,0|1,0,1]=4 19764 B15R1.355 CC(=O)OCC(=O)COC1CCCC1C 34a_100011216460_100000036994 [0,1,0,1,0,0|1,0,1]=4 19765 B15R1.355 CC(=O)OCC(C)NC[C@@H]1CCCN1C 270004a_100009821018_100000000629 [0,1,0,1,0,0|2,0,0]=4 19766 B15R1.355 CC(=O)OCC(O)COC1CCCC1C 34a_100011216460_200000139349 [0,1,0,1,0,0|1,0,0]=3 19767 B15R1.355 CC(=O)OCC(O)COC1CCCC1C 7a_100011216460_200000139349 [0,1,0,1,0,0|1,0,0]=3 19768 B15R1.355 CC(=O)OCC(O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000139349 [0,1,0,1,0,0|2,0,0]=4 19769 B15R1.355 CC(=O)OCC(O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000139349 [0,1,0,1,0,0|2,0,0]=4 19770 B15R1.355 CC(=O)OCC(O)CO[C@H]1CNC[C@H]1C 34a_200015306588_200000139349 [0,1,0,1,0,0|2,0,0]=4 19771 B15R1.355 CC(=O)OCC(O)CS[C@@H]1CCC[C@H]1O 62a_200000139349_200016002552 [0,1,0,1,0,0|2,0,0]=4 19772 B15R1.355 CC(=O)OCC(O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000139349 [0,1,0,1,0,0|2,0,0]=4 19773 B15R1.355 CC(=O)SCC(C)COC1CCCC1C 34a_100011216460_200000116872 [0,1,0,1,0,0|1,1,0]=4 19774 B15R1.355 CC(=O)SCC(C)COC1CCCC1C 7a_100011216460_200000116872 [0,1,0,1,0,0|1,1,0]=4 19775 B15R1.606 COC[C@@H]1CCCN1C(C)COC(=O)C 270004a_100020646714_100000000629 [0,1,0,1,0,0|2,0,0]=4 19776 B15R1.1134 CC(=O)OCC(O)CN1CCC[C@@H]1CO 269982a_100000745186_200000139349 [0,1,0,1,0,0|2,0,0]=4 19777 B15R1.1134 CC(=O)OCC(O)CN1CCC[C@@H]1CO 34a_100000745186_200000139349 [0,1,0,1,0,0|2,0,0]=4 19778 B15R1.1134 CCC1CCCN1CC(=O)COC(=O)C 269982a_100000754278_100000036994 [0,1,0,1,0,0|1,0,1]=4 19779 B15R1.1134 CCC1CCCN1CC(=O)COC(=O)C 34a_100000754278_100000036994 [0,1,0,1,0,0|1,0,1]=4 19780 B15R1.1134 CCC1CCCN1CC(C)CSC(=O)C 2230a_100000754278_200000116872 [0,1,0,1,0,0|1,1,0]=4 19781 B15R1.1134 CCC1CCCN1CC(C)CSC(=O)C 269982a_100000754278_200000116872 [0,1,0,1,0,0|1,1,0]=4 19782 B15R1.1134 CCC1CCCN1CC(C)CSC(=O)C 34a_100000754278_200000116872 [0,1,0,1,0,0|1,1,0]=4 19783 B15R1.1134 CCC1CCCN1CC(O)COC(=O)C 269982a_100000754278_200000139349 [0,1,0,1,0,0|1,0,0]=3 19784 B15R1.1134 CCC1CCCN1CC(O)COC(=O)C 34a_100000754278_200000139349 [0,1,0,1,0,0|1,0,0]=3 19785 B15R1.3928 CC(=O)OCC(O)COCCC1COC1 34a_100009855314_200000139349 [0,1,0,1,0,0|2,0,0]=4 19786 B15R1.3930 CC(=O)OCC(O)COCCNC1CC1 34a_100000738766_200000139349 [0,1,0,1,0,0|2,0,0]=4 19787 B15R1.3930 CC(=O)OCC(O)CSCCCC1CO1 62a_100000733510_200000139349 [0,1,0,1,0,0|2,0,0]=4 19788 B15R1.3930 CC(=O)OCC(O)CSCCCC1CO1 62a_200000139349_100000733510 [0,1,0,1,0,0|2,0,0]=4 19789 B15R1.4694 CCCCCCCCC(C)COC1CC1 34a_200012125181_100000211595 [0,1,0,1,0,0|1,0,1]=4 19790 B15R1.4696 CCCCCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210759 [0,1,0,1,0,0|1,0,1]=4 19791 B15R1.4696 CCCCCCCCN(C)C1CC(=O)C1 269982a_100000207567_100009894365 [0,1,0,1,0,0|2,0,0]=4 19792 B15R1.5919 CC(=O)NCC(=O)CCC1CCCCC1 1458a_100000194580_100011273959 [0,1,0,1,0,0|1,0,1]=4 19793 B15R1.5919 CC(=O)OCC(=O)CCC1CCCCC1 1458a_100000183556_100011273959 [0,1,0,1,0,0|0,0,1]=3 19794 B15R1.5919 CC(=O)OCC(=O)CCC1CCOCC1 1458a_100000183556_100011934994 [0,1,0,1,0,0|1,0,1]=4 19795 B15R1.5919 CC(=O)OCC(=O)CCN1CCCCC1 1458a_100000183556_100000739454 [0,1,0,1,0,0|1,0,1]=4 19796 B15R1.5919 CC(=O)OCC(=O)CNC1CCCCC1 34a_100000182618_100000036994 [0,1,0,1,0,0|1,0,1]=4 19797 B15R1.5919 CC(=O)OCC(=O)COC1CCCCC1 1458a_100000183556_100011935260 [0,1,0,1,0,0|1,0,1]=4 19798 B15R1.5919 CC(=O)OCC(=O)COC1CCCCC1 34a_100000210231_100000036994 [0,1,0,1,0,0|1,0,1]=4 19799 B15R1.5919 CC(=O)OCC(=O)CSC1CCCCC1 62a_100000036994_100000210327 [0,1,0,1,0,0|1,0,1]=4 19800 B15R1.5919 CC(=O)OCC(=O)CSC1CCCCC1 62a_100000210327_100000036994 [0,1,0,1,0,0|1,0,1]=4 19801 B15R1.5919 CC(=O)OCC(=O)NCC1CCCCC1 1626a_100000210473_100000183556 [0,1,0,1,0,0|1,0,1]=4 19802 B15R1.5919 CC(=O)OCC(=O)NCC1CCCCC1 240690a_100000210473_100000183556 [0,1,0,1,0,0|1,0,1]=4 19803 B15R1.5919 CC(=O)OCC(=O)NCC1CCCCC1 527a_100000210473_100000183556 [0,1,0,1,0,0|1,0,1]=4 19804 B15R1.5919 CC(=O)OCC(C)NCC1CCCCC1 270004a_100000210473_100000000629 [0,1,0,1,0,0|1,0,0]=3 19805 B15R1.5919 CC(=O)OCC(C)NCC1CCCCO1 270004a_100000174945_100000000629 [0,1,0,1,0,0|2,0,0]=4 19806 B15R1.5919 CC(=O)OCC(C)NCC1CCCOC1 270004a_100000720124_100000000629 [0,1,0,1,0,0|2,0,0]=4 19807 B15R1.5919 CC(=O)OCC(C)NCC1CCOCC1 270004a_100000746373_100000000629 [0,1,0,1,0,0|2,0,0]=4 19808 B15R1.5919 CC(=O)OCC(C)NCC1CCSCC1 270004a_100015188806_100000000629 [0,1,0,1,0,0|2,0,0]=4 19809 B15R1.5919 CC(=O)OCC(O)CNC1CCCCC1 34a_100000182618_200000139349 [0,1,0,1,0,0|1,0,0]=3 19810 B15R1.5919 CC(=O)OCC(O)CNC1CCCOC1 34a_100000719290_200000139349 [0,1,0,1,0,0|2,0,0]=4 19811 B15R1.5919 CC(=O)OCC(O)CNC1CCOCC1 34a_100000741149_200000139349 [0,1,0,1,0,0|2,0,0]=4 19812 B15R1.5919 CC(=O)OCC(O)CNC1CCSCC1 34a_100000748639_200000139349 [0,1,0,1,0,0|2,0,0]=4 19813 B15R1.5919 CC(=O)OCC(O)COC1CCCCC1 34a_100000210231_200000139349 [0,1,0,1,0,0|1,0,0]=3 19814 B15R1.5919 CC(=O)OCC(O)COC1CCCCC1 7a_100000210231_200000139349 [0,1,0,1,0,0|1,0,0]=3 19815 B15R1.5919 CC(=O)OCC(O)COC1CCCCO1 34a_100000033831_200000139349 [0,1,0,1,0,0|2,0,0]=4 19816 B15R1.5919 CC(=O)OCC(O)COC1CCCOC1 34a_100000754041_200000139349 [0,1,0,1,0,0|2,0,0]=4 19817 B15R1.5919 CC(=O)OCC(O)COC1CCCSC1 7a_100015962668_200000139349 [0,1,0,1,0,0|2,0,0]=4 19818 B15R1.5919 CC(=O)OCC(O)COC1CCOCC1 34a_100000744328_200000139349 [0,1,0,1,0,0|2,0,0]=4 19819 B15R1.5919 CC(=O)OCC(O)COC1CCSCC1 34a_100000731022_200000139349 [0,1,0,1,0,0|2,0,0]=4 19820 B15R1.5919 CC(=O)OCC(O)COC1CCSCC1 7a_100000731022_200000139349 [0,1,0,1,0,0|2,0,0]=4 19821 B15R1.5919 CC(=O)OCC(O)CSC1CCCCC1 62a_100000210327_200000139349 [0,1,0,1,0,0|1,0,0]=3 19822 B15R1.5919 CC(=O)OCC(O)CSC1CCCCC1 62a_200000139349_100000210327 [0,1,0,1,0,0|1,0,0]=3 19823 B15R1.5919 CC(=O)OCC(O)CSC1CCCOC1 62a_200000139349_100000693364 [0,1,0,1,0,0|2,0,0]=4 19824 B15R1.5919 CC(=O)OCC(O)CSC1CCOCC1 62a_200000139349_100011324220 [0,1,0,1,0,0|2,0,0]=4 19825 B15R1.5919 CC(=O)OCC(O)CSC1CCSCC1 62a_200000139349_100000069128 [0,1,0,1,0,0|2,0,0]=4 19826 B15R1.5919 CC(=O)OCN(C)CCC1CCCCO1 269982a_100015183322_100000076356 [0,1,0,1,0,0|2,0,0]=4 19827 B15R1.5919 CC(=O)OCN(C)CCC1CCCCO1 34a_100015183322_100009813279 [0,1,0,1,0,0|2,0,0]=4 19828 B15R1.5919 CC(=O)SCC(=O)CCC1CCCCC1 1458a_100000049016_100011273959 [0,1,0,1,0,0|0,1,1]=4 19829 B15R1.5919 CC(=O)SCC(C)CNC1CCCCC1 2230a_100000182618_200000116872 [0,1,0,1,0,0|1,1,0]=4 19830 B15R1.5919 CC(=O)SCC(C)CNC1CCCCC1 34a_100000182618_200000116872 [0,1,0,1,0,0|1,1,0]=4 19831 B15R1.5919 CC(=O)SCC(C)COC1CCCCC1 34a_100000210231_200000116872 [0,1,0,1,0,0|1,1,0]=4 19832 B15R1.5919 CC(=O)SCC(C)COC1CCCCC1 7a_100000210231_200000116872 [0,1,0,1,0,0|1,1,0]=4 19833 B15R1.5919 CC(=O)SCC(C)CSC1CCCCC1 62a_100000210327_200000116872 [0,1,0,1,0,0|1,1,0]=4 19834 B15R1.5919 CC(=O)SCC(C)CSC1CCCCC1 62a_200000116872_100000210327 [0,1,0,1,0,0|1,1,0]=4 19835 B15R1.12292 CC(=O)CCN(C)CCCC1CCCC1 269982a_100015186261_100000053229 [0,1,0,1,0,0|2,0,0]=4 19836 B15R1.12292 CC(=O)NCC(=O)CCCC1CCCC1 1458a_100000194580_100011713738 [0,1,0,1,0,0|1,0,1]=4 19837 B15R1.12292 CC(=O)OCC(=O)CCCC1CCCC1 1458a_100000183556_100011713738 [0,1,0,1,0,0|0,0,1]=3 19838 B15R1.12292 CC(=O)OCC(=O)CCCN1CCCC1 1458a_100000183556_100011445909 [0,1,0,1,0,0|1,0,1]=4 19839 B15R1.12292 CC(=O)OCC(=O)CNCC1CCCC1 34a_100000737975_100000036994 [0,1,0,1,0,0|1,0,1]=4 19840 B15R1.12292 CC(=O)OCC(=O)COCC1CCCC1 34a_100000742336_100000036994 [0,1,0,1,0,0|1,0,1]=4 19841 B15R1.12292 CC(=O)OCC(=O)CSCC1CCCC1 62a_100000036994_100000740388 [0,1,0,1,0,0|1,0,1]=4 19842 B15R1.12292 CC(=O)OCC(=O)CSCC1CCCC1 62a_100000740388_100000036994 [0,1,0,1,0,0|1,0,1]=4 19843 B15R1.12292 CC(=O)OCC(=O)NCCC1CCCC1 1626a_100000739158_100000183556 [0,1,0,1,0,0|1,0,1]=4 19844 B15R1.12292 CC(=O)OCC(=O)NCCC1CCCC1 240690a_100000739158_100000183556 [0,1,0,1,0,0|1,0,1]=4 19845 B15R1.12292 CC(=O)OCC(=O)NCCC1CCCC1 527a_100000739158_100000183556 [0,1,0,1,0,0|1,0,1]=4 19846 B15R1.12292 CC(=O)OCC(C)NCCC1CCCC1 270004a_100000739158_100000000629 [0,1,0,1,0,0|1,0,0]=3 19847 B15R1.12292 CC(=O)OCC(C)NCCN1CCCC1 270004a_100000212299_100000000629 [0,1,0,1,0,0|2,0,0]=4 19848 B15R1.12292 CC(=O)OCC(O)CNCC1CCCC1 34a_100000737975_200000139349 [0,1,0,1,0,0|1,0,0]=3 19849 B15R1.12292 CC(=O)OCC(O)CNCC1CCOC1 34a_100000737293_200000139349 [0,1,0,1,0,0|2,0,0]=4 19850 B15R1.12292 CC(=O)OCC(O)CNC[C@@H]1CCCO1 34a_100020590478_200000139349 [0,1,0,1,0,0|2,0,0]=4 19851 B15R1.12292 CC(=O)OCC(O)COCC1CCCC1 34a_100000742336_200000139349 [0,1,0,1,0,0|1,0,0]=3 19852 B15R1.12292 CC(=O)OCC(O)COCC1CCCC1 7a_100000742336_200000139349 [0,1,0,1,0,0|1,0,0]=3 19853 B15R1.12292 CC(=O)OCC(O)COCC1CCCO1 34a_100000210270_200000139349 [0,1,0,1,0,0|2,0,0]=4 19854 B15R1.12292 CC(=O)OCC(O)COCC1CCCO1 7a_100000210270_200000139349 [0,1,0,1,0,0|2,0,0]=4 19855 B15R1.12292 CC(=O)OCC(O)COCC1CCNC1 34a_100000748654_200000139349 [0,1,0,1,0,0|2,0,0]=4 19856 B15R1.12292 CC(=O)OCC(O)COCC1CCOC1 34a_100000740260_200000139349 [0,1,0,1,0,0|2,0,0]=4 19857 B15R1.12292 CC(=O)OCC(O)COC[C@H]1CCCN1 34a_100000745186_200000139349 [0,1,0,1,0,0|2,0,0]=4 19858 B15R1.12292 CC(=O)OCC(O)CSCC1CCCC1 62a_100000740388_200000139349 [0,1,0,1,0,0|1,0,0]=3 19859 B15R1.12292 CC(=O)OCC(O)CSCC1CCCC1 62a_200000139349_100000740388 [0,1,0,1,0,0|1,0,0]=3 19860 B15R1.12292 CC(=O)OCC(O)CSCC1CCCO1 62a_100000203698_200000139349 [0,1,0,1,0,0|2,0,0]=4 19861 B15R1.12292 CC(=O)OCC(O)CSCC1CCCO1 62a_200000139349_100000203698 [0,1,0,1,0,0|2,0,0]=4 19862 B15R1.12292 CC(=O)OCC(O)CSCC1CCOC1 62a_100000702531_200000139349 [0,1,0,1,0,0|2,0,0]=4 19863 B15R1.12292 CC(=O)OCC(O)CSCC1CCOC1 62a_200000139349_100000702531 [0,1,0,1,0,0|2,0,0]=4 19864 B15R1.12292 CC(=O)OCN(C)CCCC1CCCC1 269982a_100015186261_100000076356 [0,1,0,1,0,0|1,0,0]=3 19865 B15R1.12292 CC(=O)OCN(C)CCCC1CCCC1 34a_100015186261_100009813279 [0,1,0,1,0,0|1,0,0]=3 19866 B15R1.12292 CC(=O)OCN(C)CCCC1CCCO1 269982a_100011698863_100000076356 [0,1,0,1,0,0|2,0,0]=4 19867 B15R1.12292 CC(=O)OCN(C)CCCC1CCCO1 34a_100011698863_100009813279 [0,1,0,1,0,0|2,0,0]=4 19868 B15R1.12292 CC(=O)OCN(C)CCCN1CCCC1 269982a_100000233079_100000076356 [0,1,0,1,0,0|2,0,0]=4 19869 B15R1.12292 CC(=O)SCC(=O)CCCC1CCCC1 1458a_100000049016_100011713738 [0,1,0,1,0,0|0,1,1]=4 19870 B15R1.12292 CC(=O)SCC(C)CNCC1CCCC1 2230a_100000737975_200000116872 [0,1,0,1,0,0|1,1,0]=4 19871 B15R1.12292 CC(=O)SCC(C)CNCC1CCCC1 34a_100000737975_200000116872 [0,1,0,1,0,0|1,1,0]=4 19872 B15R1.12292 CC(=O)SCC(C)COCC1CCCC1 34a_100000742336_200000116872 [0,1,0,1,0,0|1,1,0]=4 19873 B15R1.12292 CC(=O)SCC(C)COCC1CCCC1 7a_100000742336_200000116872 [0,1,0,1,0,0|1,1,0]=4 19874 B15R1.12292 CC(=O)SCC(C)CSCC1CCCC1 62a_100000740388_200000116872 [0,1,0,1,0,0|1,1,0]=4 19875 B15R1.12292 CC(=O)SCC(C)CSCC1CCCC1 62a_200000116872_100000740388 [0,1,0,1,0,0|1,1,0]=4 19876 B15R1.16735 CC(=O)OCC(=O)N1CCCCCCC1 1626a_100000211400_100000183556 [0,1,0,1,0,0|1,0,1]=4 19877 B15R1.16735 CC(=O)OCC(=O)N1CCCCCCC1 240690a_100000211400_100000183556 [0,1,0,1,0,0|1,0,1]=4 19878 B15R1.16735 CC(=O)OCC(=O)N1CCCCCCC1 527a_100000211400_100000183556 [0,1,0,1,0,0|1,0,1]=4 19879 B15R1.16735 CC(=O)OCC(C)N1CCCCCCC1 270004a_100000211400_100000000629 [0,1,0,1,0,0|1,0,0]=3 19880 B15R1.16777 CC(=O)NCC(=O)CC1CCCCCC1 1458a_100000194580_200000696569 [0,1,0,1,0,0|1,0,1]=4 19881 B15R1.16777 CC(=O)OCC(=O)CC1CCCCCC1 1458a_100000183556_200000696569 [0,1,0,1,0,0|0,0,1]=3 19882 B15R1.16777 CC(=O)OCC(=O)CN1CCCCCC1 269982a_100000185865_100000036994 [0,1,0,1,0,0|1,0,1]=4 19883 B15R1.16777 CC(=O)OCC(=O)CN1CCCCCC1 34a_100000185865_100000036994 [0,1,0,1,0,0|1,0,1]=4 19884 B15R1.16777 CC(=O)OCC(=O)NC1CCCCCC1 1626a_100000210984_100000183556 [0,1,0,1,0,0|1,0,1]=4 19885 B15R1.16777 CC(=O)OCC(=O)NC1CCCCCC1 240690a_100000210984_100000183556 [0,1,0,1,0,0|1,0,1]=4 19886 B15R1.16777 CC(=O)OCC(=O)NC1CCCCCC1 527a_100000210984_100000183556 [0,1,0,1,0,0|1,0,1]=4 19887 B15R1.16777 CC(=O)OCC(C)NC1CCCCCC1 270004a_100000210984_100000000629 [0,1,0,1,0,0|1,0,0]=3 19888 B15R1.16777 CC(=O)OCC(O)CN1CCCCCC1 269982a_100000185865_200000139349 [0,1,0,1,0,0|1,0,0]=3 19889 B15R1.16777 CC(=O)OCC(O)CN1CCCCCC1 34a_100000185865_200000139349 [0,1,0,1,0,0|1,0,0]=3 19890 B15R1.16777 CC(=O)OCC(O)CN1CCCOCC1 269982a_100000685342_200000139349 [0,1,0,1,0,0|2,0,0]=4 19891 B15R1.16777 CC(=O)OCC(O)CN1CCCOCC1 34a_100000685342_200000139349 [0,1,0,1,0,0|2,0,0]=4 19892 B15R1.16777 CC(=O)SCC(=O)CC1CCCCCC1 1458a_100000049016_200000696569 [0,1,0,1,0,0|0,1,1]=4 19893 B15R1.16777 CC(=O)SCC(C)CN1CCCCCC1 2230a_100000185865_200000116872 [0,1,0,1,0,0|1,1,0]=4 19894 B15R1.16777 CC(=O)SCC(C)CN1CCCCCC1 269982a_100000185865_200000116872 [0,1,0,1,0,0|1,1,0]=4 19895 B15R1.16777 CC(=O)SCC(C)CN1CCCCCC1 34a_100000185865_200000116872 [0,1,0,1,0,0|1,1,0]=4 19896 B15R1.130 CC(=O)OC(C)SCC1CCCCN1C 62a_100009818208_100015185383 [0,1,0,1,0,0|2,0,0]=4 19897 B15R1.130 CC(=O)OC(C)SCC1CCCCN1C 62a_100015185383_100009818208 [0,1,0,1,0,0|2,0,0]=4 19898 B15R1.224 CCCCCCN1CC[C@@H](C1)NC(=O)C 2230a_100016989438_100000210314 [0,1,0,1,0,0|2,0,0]=4 19899 B15R1.224 CCCCCCN1CC[C@@H](C1)NC(=O)C 269982a_100016989438_100000210757 [0,1,0,1,0,0|2,0,0]=4 19900 B15R1.254 CC(=O)OC(C)SCCC1CCCN1C 62a_100000005710_100009818208 [0,1,0,1,0,0|2,0,0]=4 19901 B15R1.254 CC(=O)OC(C)SCCC1CCCN1C 62a_100009818208_100000005710 [0,1,0,1,0,0|2,0,0]=4 19902 B15R1.271 CC(=O)OC(C)N1CCCCC1CCO 269982a_100000211664_100009818208 [0,1,0,1,0,0|2,0,0]=4 19903 B15R1.271 CCCC1CCCCN1C(C)OC(=O)C 269982a_100000701414_100009818208 [0,1,0,1,0,0|1,0,0]=3 19904 B15R1.271 CCCC1COCCN1C(C)OC(=O)C 269982a_102495339903_100009818208 [0,1,0,1,0,0|2,0,0]=4 19905 B15R1.271 COCC1CCCCN1C(C)OC(=O)C 269982a_100015184032_100009818208 [0,1,0,1,0,0|2,0,0]=4 19906 B15R1.5503 CC(=O)OC(C)SCCCC1CCCC1 62a_100009818208_100011713738 [0,1,0,1,0,0|1,0,0]=3 19907 B15R1.5503 CC(=O)OC(C)SCCCC1CCCC1 62a_100011713738_100009818208 [0,1,0,1,0,0|1,0,0]=3 19908 B15R1.5503 CC(=O)OC(C)SCCCN1CCCC1 62a_100009818208_100011445909 [0,1,0,1,0,0|2,0,0]=4 19909 B15R1.5503 CC(=O)OC(C)SCCCN1CCCC1 62a_100016991639_100009818208 [0,1,0,1,0,0|2,0,0]=4 19910 B15R1.9084 CC(=O)OC(C)SCCC1CCCCC1 62a_100009818208_100012355289 [0,1,0,1,0,0|1,0,0]=3 19911 B15R1.9084 CC(=O)OC(C)SCCC1CCCCC1 62a_100012355289_100009818208 [0,1,0,1,0,0|1,0,0]=3 19912 B15R1.9084 CC(=O)OC(C)SCCC1CCOCC1 62a_100009818208_100011934994 [0,1,0,1,0,0|2,0,0]=4 19913 B15R1.9084 CC(=O)OC(C)SCCC1CCOCC1 62a_100011934994_100009818208 [0,1,0,1,0,0|2,0,0]=4 19914 B15R1.9084 CC(=O)OC(C)SCCN1CCCCC1 62a_100000739454_100009818208 [0,1,0,1,0,0|2,0,0]=4 19915 B15R1.9084 CC(=O)OC(C)SCCN1CCCCC1 62a_100009818208_100000739454 [0,1,0,1,0,0|2,0,0]=4 19916 B15R1.9084 CC(=O)OC(C)SCOC1CCCCC1 62a_100009818208_100011935260 [0,1,0,1,0,0|2,0,0]=4 19917 B15R1.9084 CC(=O)OC(C)SCOC1CCCCC1 62a_100011935260_100009818208 [0,1,0,1,0,0|2,0,0]=4 19918 B15R1.9716 CCCCCCCCCC(C)OC1CC1 34a_100011218016_100000211595 [0,1,0,1,0,0|1,0,1]=4 19919 B15R1.22526 CC(=O)OC(C)N1CCCCCCCC1 269982a_100000039187_100009818208 [0,1,0,1,0,0|1,0,0]=3 19920 B15R1.22532 CC(=O)OC(C)SCC1CCCCCC1 62a_100009818208_200000696569 [0,1,0,1,0,0|1,0,0]=3 19921 B15R1.22532 CC(=O)OC(C)SCC1CCCCCC1 62a_200000696569_100009818208 [0,1,0,1,0,0|1,0,0]=3 19922 B15R1.84 C#CC1CCCCN1CCCOC(=O)C 269982a_200020621307_100000042594 [0,1,0,1,0,0|0,0,2]=4 19923 B15R1.84 C#CC1CCCCN1CCCOC(=O)C 34a_200020621307_100000042594 [0,1,0,1,0,0|0,0,2]=4 19924 B15R1.84 CC(=O)CCCCN1CCCCC1CO 269982a_100000210821_100000735457 [0,1,0,1,0,0|2,0,0]=4 19925 B15R1.84 CC(=O)CCCCN1CCCCC1CO 34a_100000210821_100009817362 [0,1,0,1,0,0|2,0,0]=4 19926 B15R1.84 CC(=O)CCCOC1CCCCC1CN 34a_100011216029_100000685027 [0,1,0,1,0,0|2,0,0]=4 19927 B15R1.84 CC(=O)NCCCN1CCCCC1CO 240690a_200011473794_100015343762 [0,1,0,1,0,0|2,0,0]=4 19928 B15R1.84 CC(=O)OCCCN1CCCCC1C#N 34a_100016989756_100000042594 [0,1,0,1,0,0|1,0,1]=4 19929 B15R1.84 CC(=O)OCCCN1CCCCC1CO 269982a_100000210821_100000042594 [0,1,0,1,0,0|1,0,0]=3 19930 B15R1.84 CC(=O)OCCCN1CCCCC1CO 34a_100000210821_100000042594 [0,1,0,1,0,0|1,0,0]=3 19931 B15R1.84 CC(=O)OCCCN1CCOC[C@H]1CO 269982a_100000717676_100000042594 [0,1,0,1,0,0|2,0,0]=4 19932 B15R1.84 CC(=O)OCCCN1CCOC[C@H]1CO 34a_100000717676_100000042594 [0,1,0,1,0,0|2,0,0]=4 19933 B15R1.84 CC(=O)OCCNC1CCOCC1CO 34a_214813039666_100009814007 [0,1,0,1,0,0|2,0,0]=4 19934 B15R1.84 CC(=O)OCCOC1CCCCC1CN 34a_100011216029_100009814007 [0,1,0,1,0,0|1,0,0]=3 19935 B15R1.84 CC(=O)SCCCN1CCCCC1CO 2230a_100000210821_100000038929 [0,1,0,1,0,0|1,1,0]=4 19936 B15R1.84 CC(=O)SCCCN1CCCCC1CO 269982a_100000210821_100000038929 [0,1,0,1,0,0|1,1,0]=4 19937 B15R1.84 CC(=O)SCCCN1CCCCC1CO 34a_100000210821_100000038929 [0,1,0,1,0,0|1,1,0]=4 19938 B15R1.84 CC(=S)OCCCN1CCCCC1CO 2230a_100000210821_200135323944 [0,1,0,1,0,0|1,1,0]=4 19939 B15R1.84 CC(=S)OCCCN1CCCCC1CO 269982a_100000210821_200135323944 [0,1,0,1,0,0|1,1,0]=4 19940 B15R1.84 CC(=S)OCCCN1CCCCC1CO 34a_100000210821_200135323944 [0,1,0,1,0,0|1,1,0]=4 19941 B15R1.84 CCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000757040 [0,1,0,1,0,0|2,0,0]=4 19942 B15R1.84 CCC1CCCCC1NCCCS(=O)C 270004a_200000753449_100000757040 [0,1,0,1,0,0|2,0,0]=4 19943 B15R1.84 CCC1CCCCC1NCCNC(=O)C 269862a_100000209853_100000757040 [0,1,0,1,0,0|1,0,0]=3 19944 B15R1.84 CCC1CCCCC1NCCNC(=O)N 269862a_100020590234_100000757040 [0,1,0,1,0,0|2,0,0]=4 19945 B15R1.84 CCC1CCCCC1NCCOC(C)C 269862a_100000701111_100000757040 [0,1,0,1,0,0|1,0,1]=4 19946 B15R1.84 CCC1CCCCC1NCCOC(C)C 270004a_100000701111_100000757040 [0,1,0,1,0,0|1,0,1]=4 19947 B15R1.84 CCC1CCCCC1NCCSC(=O)C 269862a_100020647217_100000757040 [0,1,0,1,0,0|0,1,0]=3 19948 B15R1.84 CCC1CCCCC1OCCC=C(C)C 34a_100000210738_100011217483 [0,1,0,1,0,0|2,0,0]=4 19949 B15R1.84 CCC1CCCCC1OCCC=C(C)C 7a_100000210738_100011217483 [0,1,0,1,0,0|2,0,0]=4 19950 B15R1.84 CCC1CCCCC1OCCCC(=O)C 34a_100000210738_100000685027 [0,1,0,1,0,0|1,0,0]=3 19951 B15R1.84 CCC1CCCCC1OCCCC(=O)C 7a_100000210738_100011215641 [0,1,0,1,0,0|1,0,0]=3 19952 B15R1.84 CCC1CCCCC1OCCCC(=O)N 34a_100000210738_100102525003 [0,1,0,1,0,0|2,0,0]=4 19953 B15R1.84 CCC1CCCCC1OCCCC(=O)N 7a_100000210738_100102525003 [0,1,0,1,0,0|2,0,0]=4 19954 B15R1.84 CCC1CCCCC1OCCNC(=O)C 7a_100000210738_100000189650 [0,1,0,1,0,0|1,0,0]=3 19955 B15R1.84 CCC1CCCCC1OCCNC(=O)N 7a_100000210738_200000034859 [0,1,0,1,0,0|2,0,0]=4 19956 B15R1.84 CCC1CCCCC1OCCOC(=O)C 34a_100000210738_100009814007 [0,1,0,1,0,0|0,0,0]=2 19957 B15R1.84 CCC1CCCCC1OCCOC(=O)C 7a_100000210738_100009814007 [0,1,0,1,0,0|0,0,0]=2 19958 B15R1.84 CCC1CCCCC1OCCOC(=O)N 34a_100000210738_200011214921 [0,1,0,1,0,0|1,0,0]=3 19959 B15R1.84 CCC1CCCCC1OCCOC(=O)N 7a_100000210738_200011214921 [0,1,0,1,0,0|1,0,0]=3 19960 B15R1.84 CCC1CCCCC1OCCOC(C)C 34a_100000210738_100000211751 [0,1,0,1,0,0|1,0,1]=4 19961 B15R1.84 CCC1CCCCC1OCCOC(C)C 7a_100000210738_100000211751 [0,1,0,1,0,0|1,0,1]=4 19962 B15R1.84 CCC1CCCCN1CCCCC(=O)C 269982a_100000210034_100000735457 [0,1,0,1,0,0|1,0,0]=3 19963 B15R1.84 CCC1CCCCN1CCCCC(=O)C 34a_100000210034_100009817362 [0,1,0,1,0,0|1,0,0]=3 19964 B15R1.84 CCC1CCCCN1CCCNC(=O)C 11a_100011191702_100015343762 [0,1,0,1,0,0|1,0,0]=3 19965 B15R1.84 CCC1CCCCN1CCCNC(=O)C 1626a_100011191702_100015343762 [0,1,0,1,0,0|1,0,0]=3 19966 B15R1.84 CCC1CCCCN1CCCNC(=O)C 240690a_100011191702_100015343762 [0,1,0,1,0,0|1,0,0]=3 19967 B15R1.84 CCC1CCCCN1CCCNC(=O)C 527a_100011191702_100103153847 [0,1,0,1,0,0|1,0,0]=3 19968 B15R1.84 CCC1CCCCN1CCCOC(=O)C 269982a_100000210034_100000042594 [0,1,0,1,0,0|0,0,0]=2 19969 B15R1.84 CCC1CCCCN1CCCOC(=O)C 34a_100000210034_100000042594 [0,1,0,1,0,0|0,0,0]=2 19970 B15R1.84 CCC1CCCCN1CCCOC(=S)C 2230a_100000210034_200135323944 [0,1,0,1,0,0|0,1,0]=3 19971 B15R1.84 CCC1CCCCN1CCCOC(=S)C 269982a_100000210034_200135323944 [0,1,0,1,0,0|0,1,0]=3 19972 B15R1.84 CCC1CCCCN1CCCOC(=S)C 34a_100000210034_200135323944 [0,1,0,1,0,0|0,1,0]=3 19973 B15R1.84 CCC1CCCCN1CCCSC(=O)C 2230a_100000210034_100000038929 [0,1,0,1,0,0|0,1,0]=3 19974 B15R1.84 CCC1CCCCN1CCCSC(=O)C 269982a_100000210034_100000038929 [0,1,0,1,0,0|0,1,0]=3 19975 B15R1.84 CCC1CCCCN1CCCSC(=O)C 34a_100000210034_100000038929 [0,1,0,1,0,0|0,1,0]=3 19976 B15R1.84 CCC1CCCCN1CCOCC(=O)N 2230a_100000210034_100000076697 [0,1,0,1,0,0|2,0,0]=4 19977 B15R1.84 CCC1CCCCN1CCOCC(=O)N 269982a_100000210034_100000076697 [0,1,0,1,0,0|2,0,0]=4 19978 B15R1.84 CCC1CCCCN1CCOCC(=O)N 34a_100000210034_100000076697 [0,1,0,1,0,0|2,0,0]=4 19979 B15R1.84 CCN1CCCCC1CNCOC(=O)C 34a_100000754393_100009813279 [0,1,0,1,0,0|1,0,0]=3 19980 B15R1.84 CCN1CCCCC1COCCC(=O)C 7a_100000225091_100000053229 [0,1,0,1,0,0|2,0,0]=4 19981 B15R1.84 CCN1CCCCC1COCOC(=O)C 34a_100000225091_100009813279 [0,1,0,1,0,0|1,0,0]=3 19982 B15R1.84 CC[C@H]1COCCN1CCCCC(=O)C 269982a_100016988097_100000735457 [0,1,0,1,0,0|2,0,0]=4 19983 B15R1.84 CC[C@H]1COCCN1CCCCC(=O)C 34a_100016988097_100009817362 [0,1,0,1,0,0|2,0,0]=4 19984 B15R1.84 CC[C@H]1COCCN1CCCOC(=O)C 269982a_100016988097_100000042594 [0,1,0,1,0,0|1,0,0]=3 19985 B15R1.84 CC[C@H]1COCCN1CCCOC(=O)C 34a_100016988097_100000042594 [0,1,0,1,0,0|1,0,0]=3 19986 B15R1.84 CC[C@H]1COCCN1CCCOC(=S)C 2230a_100016988097_200135323944 [0,1,0,1,0,0|1,1,0]=4 19987 B15R1.84 CC[C@H]1COCCN1CCCOC(=S)C 269982a_100016988097_200135323944 [0,1,0,1,0,0|1,1,0]=4 19988 B15R1.84 CC[C@H]1COCCN1CCCOC(=S)C 34a_100016988097_200135323944 [0,1,0,1,0,0|1,1,0]=4 19989 B15R1.84 CC[C@H]1COCCN1CCCSC(=O)C 2230a_100016988097_100000038929 [0,1,0,1,0,0|1,1,0]=4 19990 B15R1.84 CC[C@H]1COCCN1CCCSC(=O)C 269982a_100016988097_100000038929 [0,1,0,1,0,0|1,1,0]=4 19991 B15R1.84 CC[C@H]1COCCN1CCCSC(=O)C 34a_100016988097_100000038929 [0,1,0,1,0,0|1,1,0]=4 19992 B15R1.84 CN[C@@H]1CCCC[C@H]1OCCCC(=O)C 34a_100000708425_100000685027 [0,1,0,1,0,0|2,0,0]=4 19993 B15R1.84 CN[C@@H]1CCCC[C@H]1OCCOC(=O)C 34a_100000708425_100009814007 [0,1,0,1,0,0|1,0,0]=3 19994 B15R1.84 CN[C@@H]1CCCC[C@H]1OCCOC(=O)N 34a_100000708425_200011214921 [0,1,0,1,0,0|2,0,0]=4 19995 B15R1.84 COC1CCCCC1NCCCC(=O)C 34a_100011208099_100000685027 [0,1,0,1,0,0|2,0,0]=4 19996 B15R1.84 COC1CCCCC1NCCOC(=O)C 34a_100011208099_100009814007 [0,1,0,1,0,0|1,0,0]=3 19997 B15R1.84 COC1CCCCC1NCCOC(=O)N 34a_100011208099_200011214921 [0,1,0,1,0,0|2,0,0]=4 19998 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)C 34a_200009815850_100000685027 [0,1,0,1,0,0|2,0,0]=4 19999 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCCC(=O)C 7a_200009815850_100011215641 [0,1,0,1,0,0|2,0,0]=4 20000 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCNC(=O)C 7a_200009815850_100000189650 [0,1,0,1,0,0|2,0,0]=4 20001 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCOC(=O)C 34a_200009815850_100009814007 [0,1,0,1,0,0|1,0,0]=3 20002 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCOC(=O)C 7a_200009815850_100009814007 [0,1,0,1,0,0|1,0,0]=3 20003 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCOC(=O)N 34a_200009815850_200011214921 [0,1,0,1,0,0|2,0,0]=4 20004 B15R1.84 CO[C@H]1CCCC[C@@H]1OCCOC(=O)N 7a_200009815850_200011214921 [0,1,0,1,0,0|2,0,0]=4 20005 B15R1.84 NCC1CCCCC1OCCOC(=O)N 34a_100011216029_200011214921 [0,1,0,1,0,0|2,0,0]=4 20006 B15R1.95 CC(=O)OCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000033659 [0,1,0,1,0,0|1,0,1]=4 20007 B15R1.95 CC(=O)OCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000033659 [0,1,0,1,0,0|1,0,0]=3 20008 B15R1.95 CC(=O)OCCCCN1CCC[C@@H]1CO 34a_100000745186_100000033659 [0,1,0,1,0,0|1,0,0]=3 20009 B15R1.95 CC(=O)OCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000042594 [0,1,0,1,0,0|1,0,1]=4 20010 B15R1.95 CC(=O)OCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000042594 [0,1,0,1,0,0|1,0,1]=4 20011 B15R1.95 CC(=O)OCCOCN1CCC[C@@H]1CO 269982a_100000745186_100000076355 [0,1,0,1,0,0|2,0,0]=4 20012 B15R1.95 CC(=O)OCCOCN1CCC[C@@H]1CO 34a_100000745186_100000076355 [0,1,0,1,0,0|2,0,0]=4 20013 B15R1.95 CC(=O)SCCCCN1CCC[C@@H]1CO 2230a_100000745186_200010402107 [0,1,0,1,0,0|1,1,0]=4 20014 B15R1.95 CC(=O)SCCCCN1CCC[C@@H]1CO 269982a_100000745186_200010402107 [0,1,0,1,0,0|1,1,0]=4 20015 B15R1.95 CC(=O)SCCCCN1CCC[C@@H]1CO 34a_100000745186_200010402107 [0,1,0,1,0,0|1,1,0]=4 20016 B15R1.95 CCC1C=CCN1CCCCOC(=O)C 269982a_100000730860_100000033659 [0,1,0,1,0,0|0,0,2]=4 20017 B15R1.95 CCC1C=CCN1CCCCOC(=O)C 34a_100000730860_100000033659 [0,1,0,1,0,0|0,0,2]=4 20018 B15R1.95 CCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000749056 [0,1,0,1,0,0|2,0,0]=4 20019 B15R1.95 CCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000749056 [0,1,0,1,0,0|2,0,0]=4 20020 B15R1.95 CCC1CCCC1NCCCNC(=O)C 269862a_100000736810_100000749056 [0,1,0,1,0,0|1,0,0]=3 20021 B15R1.95 CCC1CCCC1NCCCNC(=O)C 270004a_100000736810_100000749056 [0,1,0,1,0,0|1,0,0]=3 20022 B15R1.95 CCC1CCCC1NCCCOC(C)C 269862a_100000737246_100000749056 [0,1,0,1,0,0|1,0,1]=4 20023 B15R1.95 CCC1CCCC1NCCCOC(C)C 270004a_100000737246_100000749056 [0,1,0,1,0,0|1,0,1]=4 20024 B15R1.95 CCC1CCCN1CCCCCC(=O)N 2230a_100000754278_100009817443 [0,1,0,1,0,0|2,0,0]=4 20025 B15R1.95 CCC1CCCN1CCCCCC(=O)N 269982a_100000754278_100009817443 [0,1,0,1,0,0|2,0,0]=4 20026 B15R1.95 CCC1CCCN1CCCCCC(=O)N 34a_100000754278_100009817443 [0,1,0,1,0,0|2,0,0]=4 20027 B15R1.95 CCC1CCCN1CCCCOC(=O)C 269982a_100000754278_100000033659 [0,1,0,1,0,0|0,0,0]=2 20028 B15R1.95 CCC1CCCN1CCCCOC(=O)C 34a_100000754278_100000033659 [0,1,0,1,0,0|0,0,0]=2 20029 B15R1.95 CCC1CCCN1CCCCO[N+](=O)[O-] 269982a_100000754278_100015694321 [0,1,0,1,0,0|2,0,0]=4 20030 B15R1.95 CCC1CCCN1CCCCO[N+](=O)[O-] 34a_100000754278_100015694321 [0,1,0,1,0,0|2,0,0]=4 20031 B15R1.95 CCC1CCCN1CCCCSC(=O)C 2230a_100000754278_200010402107 [0,1,0,1,0,0|0,1,0]=3 20032 B15R1.95 CCC1CCCN1CCCCSC(=O)C 269982a_100000754278_200010402107 [0,1,0,1,0,0|0,1,0]=3 20033 B15R1.95 CCC1CCCN1CCCCSC(=O)C 34a_100000754278_200010402107 [0,1,0,1,0,0|0,1,0]=3 20034 B15R1.95 CCC1CCCN1COCCOC(=O)C 269982a_100000754278_100000076355 [0,1,0,1,0,0|1,0,0]=3 20035 B15R1.95 CCC1CCCN1COCCOC(=O)C 34a_100000754278_100000076355 [0,1,0,1,0,0|1,0,0]=3 20036 B15R1.95 CCN1CCCC1CNCCNC(=O)C 2230a_100000211693_100000189650 [0,1,0,1,0,0|2,0,0]=4 20037 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)C 34a_100011739246_100000685027 [0,1,0,1,0,0|2,0,0]=4 20038 B15R1.95 CCN1CCC[C@@H]1COCCCC(=O)C 7a_100011739246_100011215641 [0,1,0,1,0,0|2,0,0]=4 20039 B15R1.95 CCN1CCC[C@@H]1COCCNC(=O)C 7a_100011739246_100000189650 [0,1,0,1,0,0|2,0,0]=4 20040 B15R1.95 CCN1CCC[C@@H]1COCCOC(=O)C 34a_100011739246_100009814007 [0,1,0,1,0,0|1,0,0]=3 20041 B15R1.95 CCN1CCC[C@@H]1COCCOC(=O)C 7a_100011739246_100009814007 [0,1,0,1,0,0|1,0,0]=3 20042 B15R1.95 CCN1CCC[C@@H]1COCCOC(=O)N 34a_100011739246_200011214921 [0,1,0,1,0,0|2,0,0]=4 20043 B15R1.95 CCN1CCC[C@@H]1COCCOC(=O)N 7a_100011739246_200011214921 [0,1,0,1,0,0|2,0,0]=4 20044 B15R1.106 C#CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100012276617 [0,1,0,1,0,0|0,0,2]=4 20045 B15R1.106 C=CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011215473 [0,1,0,1,0,0|0,0,2]=4 20046 B15R1.106 CCCCCC#CCN1CCOC(=O)C1 2230a_100000131268_100009816472 [0,1,0,1,0,0|0,0,2]=4 20047 B15R1.106 CCCCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210759 [0,1,0,1,0,0|2,0,0]=4 20048 B15R1.106 CCCCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210759 [0,1,0,1,0,0|2,0,0]=4 20049 B15R1.106 CCCCCCCCN1CCC=C(C1)C 34a_100000725631_100000210759 [0,1,0,1,0,0|2,0,0]=4 20050 B15R1.106 CCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210759 [0,1,0,1,0,0|1,0,0]=3 20051 B15R1.106 CCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210759 [0,1,0,1,0,0|0,0,0]=2 20052 B15R1.106 CCCCCCCCN1CCOC(C1)C 2230a_100000729577_100000210759 [0,1,0,1,0,0|1,0,1]=4 20053 B15R1.106 CCCCCCCCN1CCOC(C1)C 269982a_100000729577_100000210759 [0,1,0,1,0,0|1,0,1]=4 20054 B15R1.106 CCCCCCCCN1CCOC(C1)C 34a_100000729577_100000210759 [0,1,0,1,0,0|1,0,1]=4 20055 B15R1.106 CCCCCCCCN1CCOC(C1)O 2230a_100000688207_100000210759 [0,1,0,1,0,0|0,0,2]=4 20056 B15R1.106 CCCCCCCCN1CCOC(C1)O 269982a_100000688207_100000210759 [0,1,0,1,0,0|0,0,2]=4 20057 B15R1.106 CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210681 [0,1,0,1,0,0|1,0,0]=3 20058 B15R1.106 CCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210614 [0,1,0,1,0,0|1,0,0]=3 20059 B15R1.106 CCCCCCCNC1CCOC(C1)C 270004a_100000229938_100000755752 [0,1,0,1,0,0|1,0,1]=4 20060 B15R1.106 CCCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210614 [0,1,0,1,0,0|2,0,0]=4 20061 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [0,1,0,1,0,0|1,0,0]=3 20062 B15R1.106 CCCCCCCOC1CCOC(C1)C 34a_100011986385_100000210614 [0,1,0,1,0,0|1,0,1]=4 20063 B15R1.106 CCCCCCCOC1CCOC(C1)C 7a_100011986385_100000210614 [0,1,0,1,0,0|1,0,1]=4 20064 B15R1.106 CCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210614 [0,1,0,1,0,0|1,0,0]=3 20065 B15R1.106 CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210314 [0,1,0,1,0,0|2,0,0]=4 20066 B15R1.106 CCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210314 [0,1,0,1,0,0|1,0,0]=3 20067 B15R1.106 CCCCCCOCC1COCC(=O)N1 34a_200000101122_100000210314 [0,1,0,1,0,0|2,0,0]=4 20068 B15R1.106 CCCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210211 [0,1,0,1,0,0|2,0,0]=4 20069 B15R1.106 CCCCOCCNC1CCNC(=O)C1 2230a_100016994916_100000743108 [0,1,0,1,0,0|2,0,0]=4 20070 B15R1.106 CCCCOCCNC1CCNC(=O)C1 34a_100016994916_100000743108 [0,1,0,1,0,0|2,0,0]=4 20071 B15R1.106 CCCCOCCOC1CCCC(=O)C1 34a_100012613340_100000743108 [0,1,0,1,0,0|2,0,0]=4 20072 B15R1.106 CCCCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000743108 [0,1,0,1,0,0|2,0,0]=4 20073 B15R1.106 CCCCOCOCC1CCNC(=O)C1 34a_100009886756_100011995733 [0,1,0,1,0,0|2,0,0]=4 20074 B15R1.106 CCCOCCOCC1CCNC(=O)C1 34a_100009886756_100011215938 [0,1,0,1,0,0|2,0,0]=4 20075 B15R1.106 CCOCCCOCC1CCNC(=O)C1 34a_100009886756_100012232248 [0,1,0,1,0,0|2,0,0]=4 20076 B15R1.106 CCOCCOCCN1CCOC(=O)C1 2230a_100000131268_100011211534 [0,1,0,1,0,0|2,0,0]=4 20077 B15R1.106 COCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011998445 [0,1,0,1,0,0|2,0,0]=4 20078 B15R1.106 COCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011998445 [0,1,0,1,0,0|1,0,0]=3 20079 B15R1.106 COCCCCOCC1CCNC(=O)C1 34a_100009886756_100000755781 [0,1,0,1,0,0|2,0,0]=4 20080 B15R1.106 COCCOCCCN1CCOC(=O)C1 2230a_100000131268_100011216529 [0,1,0,1,0,0|2,0,0]=4 20081 B15R1.106 N#CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100009813337 [0,1,0,1,0,0|1,0,1]=4 20082 B15R1.106 O=C1CC(CCN1)COCCCCCF 34a_100009886756_100000729378 [0,1,0,1,0,0|2,0,0]=4 20083 B15R1.106 O=C1CC(CCN1)COCCCCCO 34a_100009886756_100000746330 [0,1,0,1,0,0|2,0,0]=4 20084 B15R1.106 O=C1CC(CCN1)NCCCCCCF 2230a_100016994916_100015922095 [0,1,0,1,0,0|2,0,0]=4 20085 B15R1.106 O=C1CC(CCN1)NCCCCCCF 34a_100016994916_100015922095 [0,1,0,1,0,0|2,0,0]=4 20086 B15R1.106 O=C1CC(CCN1)NCCCCCCO 2230a_100016994916_100000766143 [0,1,0,1,0,0|2,0,0]=4 20087 B15R1.106 O=C1CC(CCN1)NCCCCCCO 34a_100016994916_100000766143 [0,1,0,1,0,0|2,0,0]=4 20088 B15R1.106 O=C1CCCC(C1)OCCCCCCF 34a_100012613340_100015922095 [0,1,0,1,0,0|2,0,0]=4 20089 B15R1.106 O=C1CCCC(C1)OCCCCCCO 34a_100012613340_100000766143 [0,1,0,1,0,0|2,0,0]=4 20090 B15R1.106 O=C1CN(CCN1)CCCCCCCO 2230a_100000184651_100000760002 [0,1,0,1,0,0|2,0,0]=4 20091 B15R1.106 O=C1CN(CCO1)CCCCCCCO 2230a_100000131268_100000760002 [0,1,0,1,0,0|1,0,0]=3 20092 B15R1.106 O=C1C[C@@H](CCN1)OCCCCCCF 34a_100015189427_100015922095 [0,1,0,1,0,0|2,0,0]=4 20093 B15R1.106 O=C1C[C@@H](CCN1)OCCCCCCO 34a_100015189427_100000766143 [0,1,0,1,0,0|2,0,0]=4 20094 B15R1.241 CCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210314 [0,1,0,1,0,0|2,0,0]=4 20095 B15R1.241 CCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210757 [0,1,0,1,0,0|2,0,0]=4 20096 B15R1.241 CCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210314 [0,1,0,1,0,0|2,0,0]=4 20097 B15R1.241 CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210757 [0,1,0,1,0,0|2,0,0]=4 20098 B15R1.241 CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210326 [0,1,0,1,0,0|2,0,0]=4 20099 B15R1.255 CC(=O)CCCCOCC1CCCN1C 34a_100000743107_100009817362 [0,1,0,1,0,0|2,0,0]=4 20100 B15R1.255 CC(=O)CCCOCCC1CCCN1C 34a_100000759063_100000005710 [0,1,0,1,0,0|2,0,0]=4 20101 B15R1.255 CC(=O)CCCOCCC1CCCN1C 34a_100011215177_100000685027 [0,1,0,1,0,0|2,0,0]=4 20102 B15R1.255 CC(=O)CCCOCCC1CCCN1C 7a_100000759063_100000005710 [0,1,0,1,0,0|2,0,0]=4 20103 B15R1.255 CC(=O)CCCOCCC1CCCN1C 7a_100011215177_100011215641 [0,1,0,1,0,0|2,0,0]=4 20104 B15R1.255 CC(=O)CCCSCCC1CCCN1C 62a_100000005710_100011215641 [0,1,0,1,0,0|2,0,0]=4 20105 B15R1.255 CC(=O)CCCSCCC1CCCN1C 62a_100011215641_100000005710 [0,1,0,1,0,0|2,0,0]=4 20106 B15R1.255 CC(=O)NCCCCNC1CCCC1C 269862a_200011368371_100000752053 [0,1,0,1,0,0|1,0,0]=3 20107 B15R1.255 CC(=O)NCCCCNC1CCOC1C 270004a_200011368371_100000691750 [0,1,0,1,0,0|2,0,0]=4 20108 B15R1.255 CC(=O)NCCNCCC1CCCN1C 2230a_100000209853_100000005710 [0,1,0,1,0,0|2,0,0]=4 20109 B15R1.255 CC(=O)NCCOCCC1CCCN1C 34a_100000158858_100000005710 [0,1,0,1,0,0|2,0,0]=4 20110 B15R1.255 CC(=O)NCCOCCC1CCCN1C 7a_100011215177_100000189650 [0,1,0,1,0,0|2,0,0]=4 20111 B15R1.255 CC(=O)NCCSCCC1CCCN1C 62a_100000005710_100000189650 [0,1,0,1,0,0|2,0,0]=4 20112 B15R1.255 CC(=O)NCCSCCC1CCCN1C 62a_100000189650_100000005710 [0,1,0,1,0,0|2,0,0]=4 20113 B15R1.255 CC(=O)OCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009813381 [0,1,0,1,0,0|0,0,0]=2 20114 B15R1.255 CC(=O)OCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000033007 [0,1,0,1,0,0|0,0,0]=2 20115 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 2230a_100015189458_100009813381 [0,1,0,1,0,0|0,0,0]=2 20116 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 269982a_100015189458_100000033007 [0,1,0,1,0,0|0,0,0]=2 20117 B15R1.255 CC(=O)OCCCCCN1CCC[C@H]1C 34a_100015189458_100000033007 [0,1,0,1,0,0|0,0,0]=2 20118 B15R1.255 CC(=O)OCCCCCN1CCSC1C 2230a_200011216479_100009813381 [0,1,0,1,0,0|1,0,0]=3 20119 B15R1.255 CC(=O)OCCCCCN1CCSC1C 269982a_200011216479_100000033007 [0,1,0,1,0,0|1,0,0]=3 20120 B15R1.255 CC(=O)OCCCCCN1CCSC1C 34a_200011216479_100000033007 [0,1,0,1,0,0|1,0,0]=3 20121 B15R1.255 CC(=O)OCCCCOC1CCCC1=O 34a_100000073216_100000709159 [0,1,0,1,0,0|1,0,1]=4 20122 B15R1.255 CC(=O)OCCCCOC1CCCC1=O 34a_200000719330_100000033659 [0,1,0,1,0,0|1,0,1]=4 20123 B15R1.255 CC(=O)OCCCCOC1CCCC1=O 7a_100000073216_100000211823 [0,1,0,1,0,0|1,0,1]=4 20124 B15R1.255 CC(=O)OCCCCOC1CCCC1C 34a_100011216460_100000033659 [0,1,0,1,0,0|0,0,0]=2 20125 B15R1.255 CC(=O)OCCCCOC1CCCC1C 7a_100011216460_100000033659 [0,1,0,1,0,0|0,0,0]=2 20126 B15R1.255 CC(=O)OCCCCOC1COCC1O 34a_100000073216_200000725654 [0,1,0,1,0,0|2,0,0]=4 20127 B15R1.255 CC(=O)OCCCCOC1COCC1O 7a_100000073216_200000725654 [0,1,0,1,0,0|2,0,0]=4 20128 B15R1.255 CC(=O)OCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000033659 [0,1,0,1,0,0|1,0,0]=3 20129 B15R1.255 CC(=O)OCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000033659 [0,1,0,1,0,0|1,0,0]=3 20130 B15R1.255 CC(=O)OCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000033659 [0,1,0,1,0,0|1,0,0]=3 20131 B15R1.255 CC(=O)OCCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000033659 [0,1,0,1,0,0|2,0,0]=4 20132 B15R1.255 CC(=O)OCCCCSC1CCCC1=O 62a_100000033659_100000211823 [0,1,0,1,0,0|1,0,1]=4 20133 B15R1.255 CC(=O)OCCCCSC1CCCC1=O 62a_100000211823_100000033659 [0,1,0,1,0,0|1,0,1]=4 20134 B15R1.255 CC(=O)OCCCCSC1COCC1O 62a_100000033659_200000725654 [0,1,0,1,0,0|2,0,0]=4 20135 B15R1.255 CC(=O)OCCCCSC1COCC1O 62a_200000725654_100000033659 [0,1,0,1,0,0|2,0,0]=4 20136 B15R1.255 CC(=O)OCCCCS[C@@H]1CCC[C@H]1O 62a_100000033659_200016002552 [0,1,0,1,0,0|1,0,0]=3 20137 B15R1.255 CC(=O)OCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000033659 [0,1,0,1,0,0|1,0,0]=3 20138 B15R1.255 CC(=O)OCCCOCC1CCCN1C 34a_100000743107_100000042594 [0,1,0,1,0,0|1,0,0]=3 20139 B15R1.255 CC(=O)OCCOCCC1CCCN1C 34a_100011215177_100009814007 [0,1,0,1,0,0|1,0,0]=3 20140 B15R1.255 CC(=O)OCCOCCC1CCCN1C 7a_100011215177_100009814007 [0,1,0,1,0,0|1,0,0]=3 20141 B15R1.255 CC(=O)OCCOCCN1CCC[C@@H]1C 2230a_100020605311_200000083610 [0,1,0,1,0,0|1,0,0]=3 20142 B15R1.255 CC(=O)OCCOCCN1CCC[C@@H]1C 269982a_100020605311_200000083610 [0,1,0,1,0,0|1,0,0]=3 20143 B15R1.255 CC(=O)OCCOCCN1CCC[C@H]1C 2230a_100015189458_200000083610 [0,1,0,1,0,0|1,0,0]=3 20144 B15R1.255 CC(=O)OCCOCCN1CCC[C@H]1C 269982a_100015189458_200000083610 [0,1,0,1,0,0|1,0,0]=3 20145 B15R1.255 CC(=O)OCCOCCN1CCC[C@H]1C 34a_100015189458_200000083610 [0,1,0,1,0,0|1,0,0]=3 20146 B15R1.255 CC(=O)OCCOCCN1CCSC1C 2230a_200011216479_200000083610 [0,1,0,1,0,0|2,0,0]=4 20147 B15R1.255 CC(=O)OCCOCCN1CCSC1C 269982a_200011216479_200000083610 [0,1,0,1,0,0|2,0,0]=4 20148 B15R1.255 CC(=O)OCCOCCN1CCSC1C 34a_200011216479_200000083610 [0,1,0,1,0,0|2,0,0]=4 20149 B15R1.255 CC(=O)OCCOCOC1CCCC1C 34a_100011216460_100000076355 [0,1,0,1,0,0|1,0,0]=3 20150 B15R1.255 CC(=O)OCCOCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000076355 [0,1,0,1,0,0|2,0,0]=4 20151 B15R1.255 CC(=O)OCCOCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000076355 [0,1,0,1,0,0|2,0,0]=4 20152 B15R1.255 CC(=O)OCCOCO[C@H]1CNC[C@H]1C 34a_200015306588_100000076355 [0,1,0,1,0,0|2,0,0]=4 20153 B15R1.255 CC(=O)OCCOCS[C@@H]1CCC[C@H]1O 62a_100000076355_200016002552 [0,1,0,1,0,0|2,0,0]=4 20154 B15R1.255 CC(=O)OCCOCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000076355 [0,1,0,1,0,0|2,0,0]=4 20155 B15R1.255 CC(=O)OCCSCCC1CCCN1C 62a_100000005710_100009814007 [0,1,0,1,0,0|1,0,0]=3 20156 B15R1.255 CC(=O)OCCSCCC1CCCN1C 62a_100009814007_100000005710 [0,1,0,1,0,0|1,0,0]=3 20157 B15R1.255 CC(=O)SCCCCOC1CCCC1C 34a_100011216460_200010402107 [0,1,0,1,0,0|0,1,0]=3 20158 B15R1.255 CC(=O)SCCCCOC1CCCC1C 7a_100011216460_200010402107 [0,1,0,1,0,0|0,1,0]=3 20159 B15R1.255 CC(=O)SCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200010402107 [0,1,0,1,0,0|1,1,0]=4 20160 B15R1.255 CC(=O)SCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_200010402107 [0,1,0,1,0,0|1,1,0]=4 20161 B15R1.255 CC(=O)SCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_200010402107 [0,1,0,1,0,0|1,1,0]=4 20162 B15R1.255 CC(=O)SCCCCS[C@@H]1CCC[C@H]1O 62a_200010402107_200016002552 [0,1,0,1,0,0|1,1,0]=4 20163 B15R1.255 CC(=O)SCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_200010402107 [0,1,0,1,0,0|1,1,0]=4 20164 B15R1.255 CC(=O)SCCCOCC1CCCN1C 34a_100000743107_100000038929 [0,1,0,1,0,0|1,1,0]=4 20165 B15R1.255 CC(=S)OCCCOCC1CCCN1C 34a_100000743107_200135323944 [0,1,0,1,0,0|1,1,0]=4 20166 B15R1.255 CC1CCCC1OCCCCCC(=O)N 34a_100011216460_100009817443 [0,1,0,1,0,0|2,0,0]=4 20167 B15R1.255 CC1CCCC1OCCCCCC(=O)N 7a_100011216460_100009817443 [0,1,0,1,0,0|2,0,0]=4 20168 B15R1.255 CC1CCCC1OCCCCO[N+](=O)[O-] 34a_100011216460_100015694321 [0,1,0,1,0,0|2,0,0]=4 20169 B15R1.255 CC1CCCC1OCCCCO[N+](=O)[O-] 7a_100011216460_100015694321 [0,1,0,1,0,0|2,0,0]=4 20170 B15R1.255 CN1CCCC1CCOCCOC(=O)N 34a_100011215177_200011214921 [0,1,0,1,0,0|2,0,0]=4 20171 B15R1.255 CN1CCCC1CCOCCOC(=O)N 7a_100000766696_100000005710 [0,1,0,1,0,0|2,0,0]=4 20172 B15R1.255 CN1CCCC1CCOCCOC(=O)N 7a_100011215177_200011214921 [0,1,0,1,0,0|2,0,0]=4 20173 B15R1.255 CN1CCCC1CCSCCOC(=O)N 62a_100000005710_200011214921 [0,1,0,1,0,0|2,0,0]=4 20174 B15R1.255 CN1CCCC1CCSCCOC(=O)N 62a_200011214921_100000005710 [0,1,0,1,0,0|2,0,0]=4 20175 B15R1.270 COCC1CCN1CCCCOC(=O)C 269982a_100015195929_100000033659 [0,1,0,1,0,0|1,0,0]=3 20176 B15R1.270 COCC1CCN1CCCCOC(=O)C 34a_100015195929_100000033659 [0,1,0,1,0,0|1,0,0]=3 20177 B15R1.270 COCC1CCN1CCCCSC(=O)C 2230a_100015195929_200010402107 [0,1,0,1,0,0|1,1,0]=4 20178 B15R1.270 COCC1CCN1CCCCSC(=O)C 269982a_100015195929_200010402107 [0,1,0,1,0,0|1,1,0]=4 20179 B15R1.270 COCC1CCN1CCCCSC(=O)C 34a_100015195929_200010402107 [0,1,0,1,0,0|1,1,0]=4 20180 B15R1.270 COCC1CCN1COCCOC(=O)C 269982a_100015195929_100000076355 [0,1,0,1,0,0|2,0,0]=4 20181 B15R1.270 COCC1CCN1COCCOC(=O)C 34a_100015195929_100000076355 [0,1,0,1,0,0|2,0,0]=4 20182 B15R1.489 CC(=CCCNCCCC1CCCC1)C 2230a_100000736752_100011217483 [0,1,0,1,0,0|2,0,0]=4 20183 B15R1.489 CC(=CCCNCCCC1CCCC1)C 34a_100000736752_100011217483 [0,1,0,1,0,0|2,0,0]=4 20184 B15R1.489 CC(=CCCOCCCC1CCCC1)C 34a_100011215328_100011217483 [0,1,0,1,0,0|2,0,0]=4 20185 B15R1.489 CC(=CCCOCCCC1CCCC1)C 7a_100011215328_100011217483 [0,1,0,1,0,0|2,0,0]=4 20186 B15R1.489 CC(=CCCSCCCC1CCCC1)C 62a_100011217483_100011713738 [0,1,0,1,0,0|2,0,0]=4 20187 B15R1.489 CC(=CCCSCCCC1CCCC1)C 62a_100011713738_100011217483 [0,1,0,1,0,0|2,0,0]=4 20188 B15R1.489 CC(=O)CCCCNCCC1CCCC1 34a_100000739158_100009817362 [0,1,0,1,0,0|1,0,0]=3 20189 B15R1.489 CC(=O)CCCCOCCC1CCCC1 34a_100000749090_100009817362 [0,1,0,1,0,0|1,0,0]=3 20190 B15R1.489 CC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000735457 [0,1,0,1,0,0|1,0,0]=3 20191 B15R1.489 CC(=O)CCCCOCCC1CCNC1 34a_100016987287_100009817362 [0,1,0,1,0,0|2,0,0]=4 20192 B15R1.489 CC(=O)CCCCOCCC1CCOC1 34a_100011879284_100009817362 [0,1,0,1,0,0|2,0,0]=4 20193 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000735457_100000760354 [0,1,0,1,0,0|1,0,0]=3 20194 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000735457 [0,1,0,1,0,0|1,0,0]=3 20195 B15R1.489 CC(=O)CCCCSCCN1CCCC1 62a_100000700749_100000735457 [0,1,0,1,0,0|2,0,0]=4 20196 B15R1.489 CC(=O)CCCCSCCN1CCCC1 62a_100000735457_100000004467 [0,1,0,1,0,0|2,0,0]=4 20197 B15R1.489 CC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000685027 [0,1,0,1,0,0|1,0,0]=3 20198 B15R1.489 CC(=O)CCCNCCOC1CCCC1 34a_100000741755_100000685027 [0,1,0,1,0,0|2,0,0]=4 20199 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100000759063_100011713738 [0,1,0,1,0,0|1,0,0]=3 20200 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000685027 [0,1,0,1,0,0|1,0,0]=3 20201 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100000759063_100011713738 [0,1,0,1,0,0|1,0,0]=3 20202 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011215641 [0,1,0,1,0,0|1,0,0]=3 20203 B15R1.489 CC(=O)CCCOCCCN1CCCC1 34a_100000759063_100016991639 [0,1,0,1,0,0|2,0,0]=4 20204 B15R1.489 CC(=O)CCCOCCCN1CCCC1 7a_100000759063_100011445909 [0,1,0,1,0,0|2,0,0]=4 20205 B15R1.489 CC(=O)CCCOCCNC1CCCC1 34a_200000200444_100000685027 [0,1,0,1,0,0|2,0,0]=4 20206 B15R1.489 CC(=O)CCCOCCOC1CCCC1 34a_100000738311_100000685027 [0,1,0,1,0,0|2,0,0]=4 20207 B15R1.489 CC(=O)CCCOCCOC1CCCC1 7a_100000738311_100011215641 [0,1,0,1,0,0|2,0,0]=4 20208 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011215641_100011713738 [0,1,0,1,0,0|1,0,0]=3 20209 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011713738_100011215641 [0,1,0,1,0,0|1,0,0]=3 20210 B15R1.489 CC(=O)CCCSCCCN1CCCC1 62a_100011215641_100011445909 [0,1,0,1,0,0|2,0,0]=4 20211 B15R1.489 CC(=O)CCCSCCCN1CCCC1 62a_100016991639_100011215641 [0,1,0,1,0,0|2,0,0]=4 20212 B15R1.489 CC(=O)NCCCCCNC1CCCC1 2230a_200012022750_100000179811 [0,1,0,1,0,0|1,0,0]=3 20213 B15R1.489 CC(=O)NCCCCCNC1CCCC1 270004a_200012022750_100000210133 [0,1,0,1,0,0|1,0,0]=3 20214 B15R1.489 CC(=O)NCCCCCNC1CCCC1 34a_200012022750_100000179811 [0,1,0,1,0,0|1,0,0]=3 20215 B15R1.489 CC(=O)NCCCCCNC1CCOC1 2230a_200012022750_100000731011 [0,1,0,1,0,0|2,0,0]=4 20216 B15R1.489 CC(=O)NCCCCCNC1CCOC1 270004a_200012022750_100000752484 [0,1,0,1,0,0|2,0,0]=4 20217 B15R1.489 CC(=O)NCCCCCNC1CCOC1 34a_200012022750_100000690089 [0,1,0,1,0,0|2,0,0]=4 20218 B15R1.489 CC(=O)NCCCCCNC1CCSC1 270004a_200012022750_100000212027 [0,1,0,1,0,0|2,0,0]=4 20219 B15R1.489 CC(=O)NCCCCNCC1CCCC1 2230a_200011368371_100000740388 [0,1,0,1,0,0|1,0,0]=3 20220 B15R1.489 CC(=O)NCCCCNCC1CCCC1 269862a_200011368371_100000746403 [0,1,0,1,0,0|1,0,0]=3 20221 B15R1.489 CC(=O)NCCCCNCC1CCCC1 34a_200011368371_100000740388 [0,1,0,1,0,0|1,0,0]=3 20222 B15R1.489 CC(=O)NCCCCNCC1CCCO1 2230a_200011368371_100000203698 [0,1,0,1,0,0|2,0,0]=4 20223 B15R1.489 CC(=O)NCCCCNCC1CCOC1 2230a_200011368371_100000702531 [0,1,0,1,0,0|2,0,0]=4 20224 B15R1.489 CC(=O)NCCCCNCC1CCOC1 34a_200011368371_100011261433 [0,1,0,1,0,0|2,0,0]=4 20225 B15R1.489 CC(=O)NCCCNCCC1CCCC1 34a_100000736810_100000760354 [0,1,0,1,0,0|1,0,0]=3 20226 B15R1.489 CC(=O)NCCCOCCC1CCCC1 34a_100000752032_100000760354 [0,1,0,1,0,0|1,0,0]=3 20227 B15R1.489 CC(=O)NCCNCCCC1CCCC1 2230a_100000209853_100011713738 [0,1,0,1,0,0|1,0,0]=3 20228 B15R1.489 CC(=O)NCCNCCCC1CCCC1 2230a_100000736752_100000189650 [0,1,0,1,0,0|1,0,0]=3 20229 B15R1.489 CC(=O)NCCNCCCN1CCCC1 2230a_100000209853_100011445909 [0,1,0,1,0,0|2,0,0]=4 20230 B15R1.489 CC(=O)NCCOCCCC1CCCC1 34a_100000158858_100011713738 [0,1,0,1,0,0|1,0,0]=3 20231 B15R1.489 CC(=O)NCCOCCCC1CCCC1 7a_100011215328_100000189650 [0,1,0,1,0,0|1,0,0]=3 20232 B15R1.489 CC(=O)NCCOCCCN1CCCC1 34a_100000158858_100016991639 [0,1,0,1,0,0|2,0,0]=4 20233 B15R1.489 CC(=O)NCCOCCOC1CCCC1 7a_100000738311_100000189650 [0,1,0,1,0,0|2,0,0]=4 20234 B15R1.489 CC(=O)NCCSCCCC1CCCC1 62a_100000189650_100011713738 [0,1,0,1,0,0|1,0,0]=3 20235 B15R1.489 CC(=O)NCCSCCCC1CCCC1 62a_100011713738_100000189650 [0,1,0,1,0,0|1,0,0]=3 20236 B15R1.489 CC(=O)NCCSCCCN1CCCC1 62a_100000189650_100011445909 [0,1,0,1,0,0|2,0,0]=4 20237 B15R1.489 CC(=O)NCCSCCCN1CCCC1 62a_100016991639_100000189650 [0,1,0,1,0,0|2,0,0]=4 20238 B15R1.489 CC(=O)OCCCCCNC1CC=CC1 2230a_100015188752_100009813381 [0,1,0,1,0,0|0,0,2]=4 20239 B15R1.489 CC(=O)OCCCCCNC1CCCC1 2230a_100000211070_100009813381 [0,1,0,1,0,0|0,0,0]=2 20240 B15R1.489 CC(=O)OCCCCCNC1CCCC1 34a_100000211070_100000033007 [0,1,0,1,0,0|0,0,0]=2 20241 B15R1.489 CC(=O)OCCCCCN[C@@H]1CCOC1 2230a_200015188469_100009813381 [0,1,0,1,0,0|1,0,0]=3 20242 B15R1.489 CC(=O)OCCCCCN[C@H]1CCOC1 2230a_100015188467_100009813381 [0,1,0,1,0,0|1,0,0]=3 20243 B15R1.489 CC(=O)OCCCCCN[C@H]1CCOC1 34a_100015188467_100000033007 [0,1,0,1,0,0|1,0,0]=3 20244 B15R1.489 CC(=O)OCCCCCOC1CCCC1 34a_100000210269_100000033007 [0,1,0,1,0,0|0,0,0]=2 20245 B15R1.489 CC(=O)OCCCCCOC1CCCC1 7a_100000210269_100000033007 [0,1,0,1,0,0|0,0,0]=2 20246 B15R1.489 CC(=O)OCCCCCOC1CCCO1 34a_100000085407_100000033007 [0,1,0,1,0,0|1,0,0]=3 20247 B15R1.489 CC(=O)OCCCCCOC1CCSC1 7a_100011232664_100000033007 [0,1,0,1,0,0|1,0,0]=3 20248 B15R1.489 CC(=O)OCCCCCO[C@H]1CCOC1 34a_100000717292_100000033007 [0,1,0,1,0,0|1,0,0]=3 20249 B15R1.489 CC(=O)OCCCCCSC1CCCC1 62a_100000033007_100000179811 [0,1,0,1,0,0|0,0,0]=2 20250 B15R1.489 CC(=O)OCCCCCSC1CCCC1 62a_100011217020_100000033007 [0,1,0,1,0,0|0,0,0]=2 20251 B15R1.489 CC(=O)OCCCCCSC1CCOC1 62a_100000033007_100000690089 [0,1,0,1,0,0|1,0,0]=3 20252 B15R1.489 CC(=O)OCCCCNCC1CCCC1 34a_100000737975_100000033659 [0,1,0,1,0,0|0,0,0]=2 20253 B15R1.489 CC(=O)OCCCCNCC1CCOC1 34a_100000737293_100000033659 [0,1,0,1,0,0|1,0,0]=3 20254 B15R1.489 CC(=O)OCCCCNCC1OCCO1 34a_100000036311_100000033659 [0,1,0,1,0,0|2,0,0]=4 20255 B15R1.489 CC(=O)OCCCCNC[C@@H]1CCCO1 34a_100020590478_100000033659 [0,1,0,1,0,0|1,0,0]=3 20256 B15R1.489 CC(=O)OCCCCOCC1CC=CC1 34a_100000688395_100000033659 [0,1,0,1,0,0|0,0,2]=4 20257 B15R1.489 CC(=O)OCCCCOCC1CCCC1 34a_100000073216_100000740388 [0,1,0,1,0,0|0,0,0]=2 20258 B15R1.489 CC(=O)OCCCCOCC1CCCC1 34a_100000742336_100000033659 [0,1,0,1,0,0|0,0,0]=2 20259 B15R1.489 CC(=O)OCCCCOCC1CCCC1 7a_100000073216_100000740388 [0,1,0,1,0,0|0,0,0]=2 20260 B15R1.489 CC(=O)OCCCCOCC1CCCC1 7a_100000742336_100000033659 [0,1,0,1,0,0|0,0,0]=2 20261 B15R1.489 CC(=O)OCCCCOCC1CCCO1 34a_100000210270_100000033659 [0,1,0,1,0,0|1,0,0]=3 20262 B15R1.489 CC(=O)OCCCCOCC1CCCO1 7a_100000073216_100000203698 [0,1,0,1,0,0|1,0,0]=3 20263 B15R1.489 CC(=O)OCCCCOCC1CCCO1 7a_100000210270_100000033659 [0,1,0,1,0,0|1,0,0]=3 20264 B15R1.489 CC(=O)OCCCCOCC1CCNC1 34a_100000748654_100000033659 [0,1,0,1,0,0|1,0,0]=3 20265 B15R1.489 CC(=O)OCCCCOCC1CCOC1 34a_100000073216_100011261433 [0,1,0,1,0,0|1,0,0]=3 20266 B15R1.489 CC(=O)OCCCCOCC1CCOC1 34a_100000740260_100000033659 [0,1,0,1,0,0|1,0,0]=3 20267 B15R1.489 CC(=O)OCCCCOCC1CCOC1 7a_100000073216_100000702531 [0,1,0,1,0,0|1,0,0]=3 20268 B15R1.489 CC(=O)OCCCCOCC1COCO1 34a_100011216627_100000033659 [0,1,0,1,0,0|2,0,0]=4 20269 B15R1.489 CC(=O)OCCCCOCC1OCCO1 34a_100000073216_100000755774 [0,1,0,1,0,0|2,0,0]=4 20270 B15R1.489 CC(=O)OCCCCOCC1OCCO1 34a_100000087154_100000033659 [0,1,0,1,0,0|2,0,0]=4 20271 B15R1.489 CC(=O)OCCCCOCC1OCCO1 7a_100000073216_100000755774 [0,1,0,1,0,0|2,0,0]=4 20272 B15R1.489 CC(=O)OCCCCOC[C@H]1CCCN1 34a_100000745186_100000033659 [0,1,0,1,0,0|1,0,0]=3 20273 B15R1.489 CC(=O)OCCCCSCC1CCCC1 62a_100000033659_100000740388 [0,1,0,1,0,0|0,0,0]=2 20274 B15R1.489 CC(=O)OCCCCSCC1CCCC1 62a_100000740388_100000033659 [0,1,0,1,0,0|0,0,0]=2 20275 B15R1.489 CC(=O)OCCCCSCC1CCCO1 62a_100000033659_100000203698 [0,1,0,1,0,0|1,0,0]=3 20276 B15R1.489 CC(=O)OCCCCSCC1CCCO1 62a_100000203698_100000033659 [0,1,0,1,0,0|1,0,0]=3 20277 B15R1.489 CC(=O)OCCCCSCC1CCOC1 62a_100000033659_100000702531 [0,1,0,1,0,0|1,0,0]=3 20278 B15R1.489 CC(=O)OCCCCSCC1CCOC1 62a_100000702531_100000033659 [0,1,0,1,0,0|1,0,0]=3 20279 B15R1.489 CC(=O)OCCCCSCC1OCCO1 62a_100000033659_100000755774 [0,1,0,1,0,0|2,0,0]=4 20280 B15R1.489 CC(=O)OCCCCSCC1OCCO1 62a_100000755774_100000033659 [0,1,0,1,0,0|2,0,0]=4 20281 B15R1.489 CC(=O)OCCCNCCC1CCCC1 34a_100000739158_100000042594 [0,1,0,1,0,0|0,0,0]=2 20282 B15R1.489 CC(=O)OCCCNCCC1OCCO1 34a_100000034215_100000042594 [0,1,0,1,0,0|2,0,0]=4 20283 B15R1.489 CC(=O)OCCCOCCC1CCCC1 34a_100000749090_100000042594 [0,1,0,1,0,0|0,0,0]=2 20284 B15R1.489 CC(=O)OCCCOCCC1CCCC1 7a_100000749090_100000042594 [0,1,0,1,0,0|0,0,0]=2 20285 B15R1.489 CC(=O)OCCCOCCC1CCNC1 34a_100016987287_100000042594 [0,1,0,1,0,0|1,0,0]=3 20286 B15R1.489 CC(=O)OCCCOCCC1CCOC1 34a_100011879284_100000042594 [0,1,0,1,0,0|1,0,0]=3 20287 B15R1.489 CC(=O)OCCCSCCC1CCCC1 62a_100000042594_100000760354 [0,1,0,1,0,0|0,0,0]=2 20288 B15R1.489 CC(=O)OCCCSCCC1CCCC1 62a_100000760354_100000042594 [0,1,0,1,0,0|0,0,0]=2 20289 B15R1.489 CC(=O)OCCCSCCC1OCCO1 62a_100000042594_100000740749 [0,1,0,1,0,0|2,0,0]=4 20290 B15R1.489 CC(=O)OCCCSCCN1CCCC1 62a_100000042594_100000004467 [0,1,0,1,0,0|1,0,0]=3 20291 B15R1.489 CC(=O)OCCCSCCN1CCCC1 62a_100000700749_100000042594 [0,1,0,1,0,0|1,0,0]=3 20292 B15R1.489 CC(=O)OCCNCCCC1CCCC1 34a_100000736752_100009814007 [0,1,0,1,0,0|0,0,0]=2 20293 B15R1.489 CC(=O)OCCNCCOC1CCCC1 34a_100000741755_100009814007 [0,1,0,1,0,0|1,0,0]=3 20294 B15R1.489 CC(=O)OCCOCCCC1CCCC1 34a_100011215328_100009814007 [0,1,0,1,0,0|0,0,0]=2 20295 B15R1.489 CC(=O)OCCOCCCC1CCCC1 7a_100011215328_100009814007 [0,1,0,1,0,0|0,0,0]=2 20296 B15R1.489 CC(=O)OCCOCCCC1OCCO1 34a_100009871617_100009814007 [0,1,0,1,0,0|2,0,0]=4 20297 B15R1.489 CC(=O)OCCOCCCC1OCCO1 7a_100009871617_100009814007 [0,1,0,1,0,0|2,0,0]=4 20298 B15R1.489 CC(=O)OCCOCCNC1CCCC1 2230a_100000211070_200000083610 [0,1,0,1,0,0|1,0,0]=3 20299 B15R1.489 CC(=O)OCCOCCNC1CCCC1 34a_100000211070_200000083610 [0,1,0,1,0,0|1,0,0]=3 20300 B15R1.489 CC(=O)OCCOCCNC1CCCC1 34a_200000200444_100009814007 [0,1,0,1,0,0|1,0,0]=3 20301 B15R1.489 CC(=O)OCCOCCN[C@@H]1CCOC1 2230a_200015188469_200000083610 [0,1,0,1,0,0|2,0,0]=4 20302 B15R1.489 CC(=O)OCCOCCN[C@H]1CCOC1 2230a_100015188467_200000083610 [0,1,0,1,0,0|2,0,0]=4 20303 B15R1.489 CC(=O)OCCOCCN[C@H]1CCOC1 34a_100015188467_200000083610 [0,1,0,1,0,0|2,0,0]=4 20304 B15R1.489 CC(=O)OCCOCCOC1CCCC1 34a_100000210269_200000083610 [0,1,0,1,0,0|1,0,0]=3 20305 B15R1.489 CC(=O)OCCOCCOC1CCCC1 34a_100000738311_100009814007 [0,1,0,1,0,0|1,0,0]=3 20306 B15R1.489 CC(=O)OCCOCCOC1CCCC1 7a_100000210269_200000083610 [0,1,0,1,0,0|1,0,0]=3 20307 B15R1.489 CC(=O)OCCOCCOC1CCCC1 7a_100000738311_100009814007 [0,1,0,1,0,0|1,0,0]=3 20308 B15R1.489 CC(=O)OCCOCCOC1CCCO1 34a_100000085407_200000083610 [0,1,0,1,0,0|2,0,0]=4 20309 B15R1.489 CC(=O)OCCOCCOC1CCSC1 7a_100011232664_200000083610 [0,1,0,1,0,0|2,0,0]=4 20310 B15R1.489 CC(=O)OCCOCCO[C@H]1CCOC1 34a_100000717292_200000083610 [0,1,0,1,0,0|2,0,0]=4 20311 B15R1.489 CC(=O)OCCOCCSC1CCCC1 62a_100011217020_200000083610 [0,1,0,1,0,0|1,0,0]=3 20312 B15R1.489 CC(=O)OCCOCCSC1CCCC1 62a_200000083610_100000179811 [0,1,0,1,0,0|1,0,0]=3 20313 B15R1.489 CC(=O)OCCOCCSC1CCOC1 62a_200000083610_100000690089 [0,1,0,1,0,0|2,0,0]=4 20314 B15R1.489 CC(=O)OCCOCNCC1CCCC1 34a_100000737975_100000076355 [0,1,0,1,0,0|1,0,0]=3 20315 B15R1.489 CC(=O)OCCOCNCC1CCOC1 34a_100000737293_100000076355 [0,1,0,1,0,0|2,0,0]=4 20316 B15R1.489 CC(=O)OCCOCNC[C@@H]1CCCO1 34a_100020590478_100000076355 [0,1,0,1,0,0|2,0,0]=4 20317 B15R1.489 CC(=O)OCCOCOCC1CCCC1 34a_100000742336_100000076355 [0,1,0,1,0,0|1,0,0]=3 20318 B15R1.489 CC(=O)OCCOCOCC1CCCO1 34a_100000210270_100000076355 [0,1,0,1,0,0|2,0,0]=4 20319 B15R1.489 CC(=O)OCCOCOCC1CCNC1 34a_100000748654_100000076355 [0,1,0,1,0,0|2,0,0]=4 20320 B15R1.489 CC(=O)OCCOCOCC1CCOC1 34a_100000740260_100000076355 [0,1,0,1,0,0|2,0,0]=4 20321 B15R1.489 CC(=O)OCCOCOC[C@H]1CCCN1 34a_100000745186_100000076355 [0,1,0,1,0,0|2,0,0]=4 20322 B15R1.489 CC(=O)OCCOCSCC1CCCC1 62a_100000076355_100000740388 [0,1,0,1,0,0|1,0,0]=3 20323 B15R1.489 CC(=O)OCCOCSCC1CCCC1 62a_100000740388_100000076355 [0,1,0,1,0,0|1,0,0]=3 20324 B15R1.489 CC(=O)OCCOCSCC1CCCO1 62a_100000076355_100000203698 [0,1,0,1,0,0|2,0,0]=4 20325 B15R1.489 CC(=O)OCCOCSCC1CCCO1 62a_100000203698_100000076355 [0,1,0,1,0,0|2,0,0]=4 20326 B15R1.489 CC(=O)OCCOCSCC1CCOC1 62a_100000076355_100000702531 [0,1,0,1,0,0|2,0,0]=4 20327 B15R1.489 CC(=O)OCCOCSCC1CCOC1 62a_100000702531_100000076355 [0,1,0,1,0,0|2,0,0]=4 20328 B15R1.489 CC(=O)OCCSCCCC1CCCC1 62a_100009814007_100011713738 [0,1,0,1,0,0|0,0,0]=2 20329 B15R1.489 CC(=O)OCCSCCCC1CCCC1 62a_100011713738_100009814007 [0,1,0,1,0,0|0,0,0]=2 20330 B15R1.489 CC(=O)OCCSCCCC1OCCO1 62a_100009814007_100000042513 [0,1,0,1,0,0|2,0,0]=4 20331 B15R1.489 CC(=O)OCCSCCCN1CCCC1 62a_100009814007_100011445909 [0,1,0,1,0,0|1,0,0]=3 20332 B15R1.489 CC(=O)OCCSCCCN1CCCC1 62a_100016991639_100009814007 [0,1,0,1,0,0|1,0,0]=3 20333 B15R1.489 CC(=O)OCNCCCOC1CCCC1 34a_100000747560_100009813279 [0,1,0,1,0,0|1,0,0]=3 20334 B15R1.489 CC(=O)OCSCCCCC1OCCO1 62a_100000076356_100000034956 [0,1,0,1,0,0|2,0,0]=4 20335 B15R1.489 CC(=O)SCCCCNCC1CCCC1 2230a_100000737975_200010402107 [0,1,0,1,0,0|0,1,0]=3 20336 B15R1.489 CC(=O)SCCCCNCC1CCCC1 34a_100000737975_200010402107 [0,1,0,1,0,0|0,1,0]=3 20337 B15R1.489 CC(=O)SCCCCNCC1CCOC1 2230a_100000737293_200010402107 [0,1,0,1,0,0|1,1,0]=4 20338 B15R1.489 CC(=O)SCCCCNCC1CCOC1 34a_100000737293_200010402107 [0,1,0,1,0,0|1,1,0]=4 20339 B15R1.489 CC(=O)SCCCCNC[C@@H]1CCCO1 2230a_100020590478_200010402107 [0,1,0,1,0,0|1,1,0]=4 20340 B15R1.489 CC(=O)SCCCCNC[C@@H]1CCCO1 34a_100020590478_200010402107 [0,1,0,1,0,0|1,1,0]=4 20341 B15R1.489 CC(=O)SCCCCOCC1CCCC1 34a_100000742336_200010402107 [0,1,0,1,0,0|0,1,0]=3 20342 B15R1.489 CC(=O)SCCCCOCC1CCCC1 7a_100000742336_200010402107 [0,1,0,1,0,0|0,1,0]=3 20343 B15R1.489 CC(=O)SCCCCOCC1CCCO1 34a_100000210270_200010402107 [0,1,0,1,0,0|1,1,0]=4 20344 B15R1.489 CC(=O)SCCCCOCC1CCCO1 7a_100000210270_200010402107 [0,1,0,1,0,0|1,1,0]=4 20345 B15R1.489 CC(=O)SCCCCOCC1CCNC1 34a_100000748654_200010402107 [0,1,0,1,0,0|1,1,0]=4 20346 B15R1.489 CC(=O)SCCCCOCC1CCOC1 34a_100000740260_200010402107 [0,1,0,1,0,0|1,1,0]=4 20347 B15R1.489 CC(=O)SCCCCOC[C@H]1CCCN1 34a_100000745186_200010402107 [0,1,0,1,0,0|1,1,0]=4 20348 B15R1.489 CC(=O)SCCCCSCC1CCCC1 62a_100000740388_200010402107 [0,1,0,1,0,0|0,1,0]=3 20349 B15R1.489 CC(=O)SCCCCSCC1CCCC1 62a_200010402107_100000740388 [0,1,0,1,0,0|0,1,0]=3 20350 B15R1.489 CC(=O)SCCCCSCC1CCCO1 62a_100000203698_200010402107 [0,1,0,1,0,0|1,1,0]=4 20351 B15R1.489 CC(=O)SCCCCSCC1CCCO1 62a_200010402107_100000203698 [0,1,0,1,0,0|1,1,0]=4 20352 B15R1.489 CC(=O)SCCCCSCC1CCOC1 62a_100000702531_200010402107 [0,1,0,1,0,0|1,1,0]=4 20353 B15R1.489 CC(=O)SCCCCSCC1CCOC1 62a_200010402107_100000702531 [0,1,0,1,0,0|1,1,0]=4 20354 B15R1.489 CC(=O)SCCCNCCC1CCCC1 2230a_100000739158_100000038929 [0,1,0,1,0,0|0,1,0]=3 20355 B15R1.489 CC(=O)SCCCNCCC1CCCC1 34a_100000739158_100000038929 [0,1,0,1,0,0|0,1,0]=3 20356 B15R1.489 CC(=O)SCCCOCCC1CCCC1 34a_100000749090_100000038929 [0,1,0,1,0,0|0,1,0]=3 20357 B15R1.489 CC(=O)SCCCOCCC1CCCC1 7a_100000749090_100000038929 [0,1,0,1,0,0|0,1,0]=3 20358 B15R1.489 CC(=O)SCCCOCCC1CCNC1 34a_100016987287_100000038929 [0,1,0,1,0,0|1,1,0]=4 20359 B15R1.489 CC(=O)SCCCOCCC1CCOC1 34a_100011879284_100000038929 [0,1,0,1,0,0|1,1,0]=4 20360 B15R1.489 CC(=O)SCCCSCCC1CCCC1 62a_100000038929_100000760354 [0,1,0,1,0,0|0,1,0]=3 20361 B15R1.489 CC(=O)SCCCSCCC1CCCC1 62a_100000760354_100000038929 [0,1,0,1,0,0|0,1,0]=3 20362 B15R1.489 CC(=O)SCCCSCCN1CCCC1 62a_100000038929_100000004467 [0,1,0,1,0,0|1,1,0]=4 20363 B15R1.489 CC(=O)SCCCSCCN1CCCC1 62a_100000700749_100000038929 [0,1,0,1,0,0|1,1,0]=4 20364 B15R1.489 CC(=S)OCCCNCCC1CCCC1 2230a_100000739158_200135323944 [0,1,0,1,0,0|0,1,0]=3 20365 B15R1.489 CC(=S)OCCCNCCC1CCCC1 34a_100000739158_200135323944 [0,1,0,1,0,0|0,1,0]=3 20366 B15R1.489 CC(=S)OCCCOCCC1CCCC1 34a_100000749090_200135323944 [0,1,0,1,0,0|0,1,0]=3 20367 B15R1.489 CC(=S)OCCCOCCC1CCCC1 7a_100000749090_200135323944 [0,1,0,1,0,0|0,1,0]=3 20368 B15R1.489 CC(=S)OCCCOCCC1CCNC1 34a_100016987287_200135323944 [0,1,0,1,0,0|1,1,0]=4 20369 B15R1.489 CC(=S)OCCCOCCC1CCOC1 34a_100011879284_200135323944 [0,1,0,1,0,0|1,1,0]=4 20370 B15R1.489 CC(=S)OCCCSCCC1CCCC1 62a_100000760354_200135323944 [0,1,0,1,0,0|0,1,0]=3 20371 B15R1.489 CC(=S)OCCCSCCC1CCCC1 62a_200135323944_100000760354 [0,1,0,1,0,0|0,1,0]=3 20372 B15R1.489 CC(=S)OCCCSCCN1CCCC1 62a_100000700749_200135323944 [0,1,0,1,0,0|1,1,0]=4 20373 B15R1.489 CC(=S)OCCCSCCN1CCCC1 62a_200135323944_100000004467 [0,1,0,1,0,0|1,1,0]=4 20374 B15R1.489 CC(C)OCCCNCCC1CCCC1 2230a_100000737246_100000760354 [0,1,0,1,0,0|1,0,1]=4 20375 B15R1.489 CC(C)OCCCNCCC1CCCC1 34a_100000737246_100000760354 [0,1,0,1,0,0|1,0,1]=4 20376 B15R1.489 CC(C)OCCNCCCC1CCCC1 2230a_100000701111_100011713738 [0,1,0,1,0,0|1,0,1]=4 20377 B15R1.489 CC(C)OCCNCCCC1CCCC1 2230a_100000736752_100000211751 [0,1,0,1,0,0|1,0,1]=4 20378 B15R1.489 CC(C)OCCNCCCC1CCCC1 34a_100000701111_100011713738 [0,1,0,1,0,0|1,0,1]=4 20379 B15R1.489 CC(C)OCCNCCCC1CCCC1 34a_100000736752_100000211751 [0,1,0,1,0,0|1,0,1]=4 20380 B15R1.489 CC(C)OCCOCCCC1CCCC1 34a_100000211219_100011713738 [0,1,0,1,0,0|1,0,1]=4 20381 B15R1.489 CC(C)OCCOCCCC1CCCC1 34a_100011215328_100000211751 [0,1,0,1,0,0|1,0,1]=4 20382 B15R1.489 CC(C)OCCOCCCC1CCCC1 7a_100000211219_100011713738 [0,1,0,1,0,0|1,0,1]=4 20383 B15R1.489 CC(C)OCCOCCCC1CCCC1 7a_100011215328_100000211751 [0,1,0,1,0,0|1,0,1]=4 20384 B15R1.489 CC(C)OCCSCCCC1CCCC1 62a_100000211751_100011713738 [0,1,0,1,0,0|1,0,1]=4 20385 B15R1.489 CC(C)OCCSCCCC1CCCC1 62a_100011713738_100000211751 [0,1,0,1,0,0|1,0,1]=4 20386 B15R1.489 CS(=O)CCCNCCCC1CCCC1 2230a_200000753449_100011713738 [0,1,0,1,0,0|2,0,0]=4 20387 B15R1.489 NC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100009817443 [0,1,0,1,0,0|2,0,0]=4 20388 B15R1.489 NC(=O)CCCCCNCC1CCCC1 34a_100000737975_100009817443 [0,1,0,1,0,0|2,0,0]=4 20389 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000123541_100000740388 [0,1,0,1,0,0|2,0,0]=4 20390 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000742336_100009817443 [0,1,0,1,0,0|2,0,0]=4 20391 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000123541_100000740388 [0,1,0,1,0,0|2,0,0]=4 20392 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000742336_100009817443 [0,1,0,1,0,0|2,0,0]=4 20393 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100000740388_100009817443 [0,1,0,1,0,0|2,0,0]=4 20394 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100009817443_100000740388 [0,1,0,1,0,0|2,0,0]=4 20395 B15R1.489 NC(=O)CCCCNCCC1CCCC1 34a_100000696515_100000760354 [0,1,0,1,0,0|2,0,0]=4 20396 B15R1.489 NC(=O)CCCCOCCC1CCCC1 34a_100012022536_100000760354 [0,1,0,1,0,0|2,0,0]=4 20397 B15R1.489 NC(=O)CCCCOCCC1CCCC1 7a_100012022536_100000760354 [0,1,0,1,0,0|2,0,0]=4 20398 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000736752_100102525003 [0,1,0,1,0,0|2,0,0]=4 20399 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000739312_100011713738 [0,1,0,1,0,0|2,0,0]=4 20400 B15R1.489 NC(=O)CCCOCCCC1CCCC1 34a_100011215328_100102525003 [0,1,0,1,0,0|2,0,0]=4 20401 B15R1.489 NC(=O)CCCOCCCC1CCCC1 7a_100011215328_100102525003 [0,1,0,1,0,0|2,0,0]=4 20402 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100011713738_100102525003 [0,1,0,1,0,0|2,0,0]=4 20403 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100102525003_100011713738 [0,1,0,1,0,0|2,0,0]=4 20404 B15R1.489 NC(=O)COCCNCCC1CCCC1 2230a_100000739158_100000076697 [0,1,0,1,0,0|2,0,0]=4 20405 B15R1.489 NC(=O)COCCNCCC1CCCC1 34a_100000739158_100000076697 [0,1,0,1,0,0|2,0,0]=4 20406 B15R1.489 NC(=O)COCCOCCC1CCCC1 34a_100000749090_100000076697 [0,1,0,1,0,0|2,0,0]=4 20407 B15R1.489 NC(=O)COCCOCCC1CCCC1 7a_100000749090_100000076697 [0,1,0,1,0,0|2,0,0]=4 20408 B15R1.489 NC(=O)COCCSCCC1CCCC1 62a_100000076697_100000760354 [0,1,0,1,0,0|2,0,0]=4 20409 B15R1.489 NC(=O)COCCSCCC1CCCC1 62a_100000760354_100000076697 [0,1,0,1,0,0|2,0,0]=4 20410 B15R1.489 NC(=O)NCCNCCCC1CCCC1 2230a_100000736752_200000034859 [0,1,0,1,0,0|2,0,0]=4 20411 B15R1.489 NC(=O)NCCNCCCC1CCCC1 34a_100020590234_100011713738 [0,1,0,1,0,0|2,0,0]=4 20412 B15R1.489 NC(=O)NCCOCCCC1CCCC1 34a_100000181757_100011713738 [0,1,0,1,0,0|2,0,0]=4 20413 B15R1.489 NC(=O)NCCOCCCC1CCCC1 7a_100011215328_200000034859 [0,1,0,1,0,0|2,0,0]=4 20414 B15R1.489 NC(=O)NCCSCCCC1CCCC1 62a_100011713738_200000034859 [0,1,0,1,0,0|2,0,0]=4 20415 B15R1.489 NC(=O)NCCSCCCC1CCCC1 62a_200000034859_100011713738 [0,1,0,1,0,0|2,0,0]=4 20416 B15R1.489 NC(=O)OCCNCCCC1CCCC1 34a_100000736752_200011214921 [0,1,0,1,0,0|1,0,0]=3 20417 B15R1.489 NC(=O)OCCNCCOC1CCCC1 34a_100000741755_200011214921 [0,1,0,1,0,0|2,0,0]=4 20418 B15R1.489 NC(=O)OCCOCCCC1CCCC1 34a_100011215328_200011214921 [0,1,0,1,0,0|1,0,0]=3 20419 B15R1.489 NC(=O)OCCOCCCC1CCCC1 7a_100000766696_100011713738 [0,1,0,1,0,0|1,0,0]=3 20420 B15R1.489 NC(=O)OCCOCCCC1CCCC1 7a_100011215328_200011214921 [0,1,0,1,0,0|1,0,0]=3 20421 B15R1.489 NC(=O)OCCOCCCN1CCCC1 7a_100000766696_100011445909 [0,1,0,1,0,0|2,0,0]=4 20422 B15R1.489 NC(=O)OCCOCCNC1CCCC1 34a_200000200444_200011214921 [0,1,0,1,0,0|2,0,0]=4 20423 B15R1.489 NC(=O)OCCOCCOC1CCCC1 34a_100000738311_200011214921 [0,1,0,1,0,0|2,0,0]=4 20424 B15R1.489 NC(=O)OCCOCCOC1CCCC1 7a_100000738311_200011214921 [0,1,0,1,0,0|2,0,0]=4 20425 B15R1.489 NC(=O)OCCSCCCC1CCCC1 62a_100011713738_200011214921 [0,1,0,1,0,0|1,0,0]=3 20426 B15R1.489 NC(=O)OCCSCCCC1CCCC1 62a_200011214921_100011713738 [0,1,0,1,0,0|1,0,0]=3 20427 B15R1.489 NC(=O)OCCSCCCN1CCCC1 62a_100016991639_200011214921 [0,1,0,1,0,0|2,0,0]=4 20428 B15R1.489 NC(=O)OCCSCCCN1CCCC1 62a_200011214921_100011445909 [0,1,0,1,0,0|2,0,0]=4 20429 B15R1.489 O=C(O)COCCNCCC1CCCC1 269956a_100000700818_100000760354 [0,1,0,1,0,0|2,0,0]=4 20430 B15R1.489 O=C([O-])CCCCCOCC1CCCC1 7a_100102619762_100000740388 [0,1,0,1,0,0|2,0,0]=4 20431 B15R1.489 O=[N+]([O-])OCCCCNCC1CCCC1 34a_100000737975_100015694321 [0,1,0,1,0,0|2,0,0]=4 20432 B15R1.489 O=[N+]([O-])OCCCCOCC1CCCC1 34a_100000742336_100015694321 [0,1,0,1,0,0|2,0,0]=4 20433 B15R1.489 O=[N+]([O-])OCCCCOCC1CCCC1 7a_100000742336_100015694321 [0,1,0,1,0,0|2,0,0]=4 20434 B15R1.489 O=[N+]([O-])OCCCCSCC1CCCC1 62a_100000740388_100015694321 [0,1,0,1,0,0|2,0,0]=4 20435 B15R1.589 C=C(C)CCOC1CCCCC1CCC 34a_100011217265_100000730704 [0,1,0,1,0,0|2,0,0]=4 20436 B15R1.589 C=C(C)CCOC1CCCCC1CCC 7a_100011217265_100000730704 [0,1,0,1,0,0|2,0,0]=4 20437 B15R1.589 CC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100011215641 [0,1,0,1,0,0|2,0,0]=4 20438 B15R1.589 CC(=O)CCCN1CCCCC1CCO 34a_100000211664_100000685027 [0,1,0,1,0,0|2,0,0]=4 20439 B15R1.589 CC(=O)NCCC1CCCCN1CCF 2230a_200011221479_100011217306 [0,1,0,1,0,0|2,0,0]=4 20440 B15R1.589 CC(=O)NCCC1CCCCN1CCF 269982a_200011221479_100011217306 [0,1,0,1,0,0|2,0,0]=4 20441 B15R1.589 CC(=O)NCCC1CCCCN1CCF 34a_200011221479_100011217306 [0,1,0,1,0,0|2,0,0]=4 20442 B15R1.589 CC(=O)NCCC1CCCCN1CCO 2230a_200011221479_100000211926 [0,1,0,1,0,0|2,0,0]=4 20443 B15R1.589 CC(=O)NCCC1CCCCN1CCO 269982a_200011221479_100000211926 [0,1,0,1,0,0|2,0,0]=4 20444 B15R1.589 CC(=O)NCCC1CCCCN1CCO 34a_200011221479_100000211926 [0,1,0,1,0,0|2,0,0]=4 20445 B15R1.589 CC(=O)NCCN1CCCCC1CCO 2230a_100000211664_100000189650 [0,1,0,1,0,0|2,0,0]=4 20446 B15R1.589 CC(=O)NCCN1CCCCC1CCO 269982a_100000211664_100000189650 [0,1,0,1,0,0|2,0,0]=4 20447 B15R1.589 CC(=O)OCCN1CCCCC1CC#N 34a_100000133382_100009814007 [0,1,0,1,0,0|1,0,1]=4 20448 B15R1.589 CC(=O)OCCN1CCCCC1CCO 269982a_100000211664_100009814007 [0,1,0,1,0,0|1,0,0]=3 20449 B15R1.589 CC(=O)OCCN1CCCCC1CCO 34a_100000211664_100009814007 [0,1,0,1,0,0|1,0,0]=3 20450 B15R1.589 CCCC1CCCCC1NCC=C(C)C 270004a_100000718196_100011218038 [0,1,0,1,0,0|2,0,0]=4 20451 B15R1.589 CCCC1CCCCC1NCCC(=O)N 269862a_100000740010_100011218038 [0,1,0,1,0,0|2,0,0]=4 20452 B15R1.589 CCCC1CCCCC1OCC=C(C)C 34a_100011217265_100000761012 [0,1,0,1,0,0|2,0,0]=4 20453 B15R1.589 CCCC1CCCCC1OCC=C(C)C 7a_100011217265_100000761012 [0,1,0,1,0,0|2,0,0]=4 20454 B15R1.589 CCCC1CCCCC1OCCC(=O)C 7a_100011217265_100000053229 [0,1,0,1,0,0|1,0,0]=3 20455 B15R1.589 CCCC1CCCCC1OCCC(=O)N 34a_100011217265_100000731001 [0,1,0,1,0,0|2,0,0]=4 20456 B15R1.589 CCCC1CCCCC1OCCC(=O)N 7a_100011217265_100000744528 [0,1,0,1,0,0|2,0,0]=4 20457 B15R1.589 CCCC1CCCCC1OCOC(=O)C 34a_100011217265_100009813279 [0,1,0,1,0,0|0,0,0]=2 20458 B15R1.589 CCCC1CCCCC1OCOC(C)C 34a_100011217265_100000709892 [0,1,0,1,0,0|1,0,1]=4 20459 B15R1.589 CCCC1CCCCN1CCC=C(C)C 2230a_100000701414_100011217483 [0,1,0,1,0,0|2,0,0]=4 20460 B15R1.589 CCCC1CCCCN1CCC=C(C)C 269982a_100000701414_100011217483 [0,1,0,1,0,0|2,0,0]=4 20461 B15R1.589 CCCC1CCCCN1CCC=C(C)C 34a_100000701414_100011217483 [0,1,0,1,0,0|2,0,0]=4 20462 B15R1.589 CCCC1CCCCN1CCCC(=O)C 269982a_100000701414_100011215641 [0,1,0,1,0,0|1,0,0]=3 20463 B15R1.589 CCCC1CCCCN1CCCC(=O)C 34a_100000701414_100000685027 [0,1,0,1,0,0|1,0,0]=3 20464 B15R1.589 CCCC1CCCCN1CCCC(=O)N 269982a_100000701414_100102525003 [0,1,0,1,0,0|2,0,0]=4 20465 B15R1.589 CCCC1CCCCN1CCCC(=O)N 34a_100000701414_100102525003 [0,1,0,1,0,0|2,0,0]=4 20466 B15R1.589 CCCC1CCCCN1CCNC(=O)C 2230a_100000701414_100000189650 [0,1,0,1,0,0|1,0,0]=3 20467 B15R1.589 CCCC1CCCCN1CCNC(=O)C 269982a_100000701414_100000189650 [0,1,0,1,0,0|1,0,0]=3 20468 B15R1.589 CCCC1CCCCN1CCNC(=O)N 2230a_100000701414_200000034859 [0,1,0,1,0,0|2,0,0]=4 20469 B15R1.589 CCCC1CCCCN1CCNC(=O)N 269982a_100000701414_200000034859 [0,1,0,1,0,0|2,0,0]=4 20470 B15R1.589 CCCC1CCCCN1CCOC(=O)C 269982a_100000701414_100009814007 [0,1,0,1,0,0|0,0,0]=2 20471 B15R1.589 CCCC1CCCCN1CCOC(=O)C 34a_100000701414_100009814007 [0,1,0,1,0,0|0,0,0]=2 20472 B15R1.589 CCCC1CCCCN1CCOC(=O)N 269982a_100000701414_200011214921 [0,1,0,1,0,0|1,0,0]=3 20473 B15R1.589 CCCC1CCCCN1CCOC(=O)N 34a_100000701414_200011214921 [0,1,0,1,0,0|1,0,0]=3 20474 B15R1.589 CCCC1CCCCN1CCOC(C)C 2230a_100000701414_100000211751 [0,1,0,1,0,0|1,0,1]=4 20475 B15R1.589 CCCC1CCCCN1CCOC(C)C 269982a_100000701414_100000211751 [0,1,0,1,0,0|1,0,1]=4 20476 B15R1.589 CCCC1CCCCN1CCOC(C)C 34a_100000701414_100000211751 [0,1,0,1,0,0|1,0,1]=4 20477 B15R1.589 CCCC1COCCN1CCCC(=O)C 269982a_102495339903_100011215641 [0,1,0,1,0,0|2,0,0]=4 20478 B15R1.589 CCCC1COCCN1CCCC(=O)C 34a_102495339903_100000685027 [0,1,0,1,0,0|2,0,0]=4 20479 B15R1.589 CCCC1COCCN1CCNC(=O)C 2230a_102495339903_100000189650 [0,1,0,1,0,0|2,0,0]=4 20480 B15R1.589 CCCC1COCCN1CCNC(=O)C 269982a_102495339903_100000189650 [0,1,0,1,0,0|2,0,0]=4 20481 B15R1.589 CCCC1COCCN1CCOC(=O)C 269982a_102495339903_100009814007 [0,1,0,1,0,0|1,0,0]=3 20482 B15R1.589 CCCC1COCCN1CCOC(=O)C 34a_102495339903_100009814007 [0,1,0,1,0,0|1,0,0]=3 20483 B15R1.589 CCCC1COCCN1CCOC(=O)N 269982a_102495339903_200011214921 [0,1,0,1,0,0|2,0,0]=4 20484 B15R1.589 CCCC1COCCN1CCOC(=O)N 34a_102495339903_200011214921 [0,1,0,1,0,0|2,0,0]=4 20485 B15R1.589 CCCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210303 [0,1,0,1,0,0|1,0,0]=3 20486 B15R1.589 CCCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000210303 [0,1,0,1,0,0|1,0,0]=3 20487 B15R1.589 CCCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210303 [0,1,0,1,0,0|1,0,0]=3 20488 B15R1.589 COCC1CCCCN1CCCC(=O)C 269982a_100015184032_100011215641 [0,1,0,1,0,0|2,0,0]=4 20489 B15R1.589 COCC1CCCCN1CCCC(=O)C 34a_100015184032_100000685027 [0,1,0,1,0,0|2,0,0]=4 20490 B15R1.589 COCC1CCCCN1CCNC(=O)C 2230a_100015184032_100000189650 [0,1,0,1,0,0|2,0,0]=4 20491 B15R1.589 COCC1CCCCN1CCNC(=O)C 269982a_100015184032_100000189650 [0,1,0,1,0,0|2,0,0]=4 20492 B15R1.589 COCC1CCCCN1CCOC(=O)C 269982a_100015184032_100009814007 [0,1,0,1,0,0|1,0,0]=3 20493 B15R1.589 COCC1CCCCN1CCOC(=O)C 34a_100015184032_100009814007 [0,1,0,1,0,0|1,0,0]=3 20494 B15R1.589 COCC1CCCCN1CCOC(=O)N 269982a_100015184032_200011214921 [0,1,0,1,0,0|2,0,0]=4 20495 B15R1.589 COCC1CCCCN1CCOC(=O)N 34a_100015184032_200011214921 [0,1,0,1,0,0|2,0,0]=4 20496 B15R1.589 COCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000766300 [0,1,0,1,0,0|2,0,0]=4 20497 B15R1.589 COCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000766300 [0,1,0,1,0,0|2,0,0]=4 20498 B15R1.589 COC[C@H]1COCCN1CCOC(=O)C 269982a_100016989928_100009814007 [0,1,0,1,0,0|2,0,0]=4 20499 B15R1.589 COC[C@H]1COCCN1CCOC(=O)C 34a_100016989928_100009814007 [0,1,0,1,0,0|2,0,0]=4 20500 B15R1.589 CSCN1CCCCC1CCNC(=O)C 2230a_200011221479_100011218213 [0,1,0,1,0,0|2,0,0]=4 20501 B15R1.589 CSCN1CCCCC1CCNC(=O)C 269982a_200011221479_100011218213 [0,1,0,1,0,0|2,0,0]=4 20502 B15R1.589 CSCN1CCCCC1CCNC(=O)C 34a_200011221479_100011218213 [0,1,0,1,0,0|2,0,0]=4 20503 B15R1.589 NC(=O)OCCN1CCCCC1CCO 269982a_100000211664_200011214921 [0,1,0,1,0,0|2,0,0]=4 20504 B15R1.589 NC(=O)OCCN1CCCCC1CCO 34a_100000211664_200011214921 [0,1,0,1,0,0|2,0,0]=4 20505 B15R1.604 CCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000723119 [0,1,0,1,0,0|2,0,0]=4 20506 B15R1.604 CCCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000723119 [0,1,0,1,0,0|2,0,0]=4 20507 B15R1.604 CCCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000723119 [0,1,0,1,0,0|1,0,0]=3 20508 B15R1.604 CCCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000723119 [0,1,0,1,0,0|2,0,0]=4 20509 B15R1.604 CCCC1CCCC1NCCOC(C)C 269862a_100000701111_100000723119 [0,1,0,1,0,0|1,0,1]=4 20510 B15R1.604 CCCC1CCCC1NCCOC(C)C 270004a_100000701111_100000723119 [0,1,0,1,0,0|1,0,1]=4 20511 B15R1.604 CCCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000723119 [0,1,0,1,0,0|0,1,0]=3 20512 B15R1.604 CCCN1CCCC1COCCC(=O)C 7a_200000694710_100000053229 [0,1,0,1,0,0|2,0,0]=4 20513 B15R1.604 CCCN1CCCC1COCOC(=O)C 34a_200000694710_100009813279 [0,1,0,1,0,0|1,0,0]=3 20514 B15R1.604 COC[C@@H]1CCCN1CCCCC(=O)C 269982a_100020646714_100000735457 [0,1,0,1,0,0|2,0,0]=4 20515 B15R1.604 COC[C@@H]1CCCN1CCCCC(=O)C 34a_100020646714_100009817362 [0,1,0,1,0,0|2,0,0]=4 20516 B15R1.604 COC[C@@H]1CCCN1CCCOC(=O)C 269982a_100020646714_100000042594 [0,1,0,1,0,0|1,0,0]=3 20517 B15R1.604 COC[C@@H]1CCCN1CCCOC(=O)C 34a_100020646714_100000042594 [0,1,0,1,0,0|1,0,0]=3 20518 B15R1.604 COC[C@@H]1CCCN1CCCOC(=S)C 2230a_100020646714_200135323944 [0,1,0,1,0,0|1,1,0]=4 20519 B15R1.604 COC[C@@H]1CCCN1CCCOC(=S)C 269982a_100020646714_200135323944 [0,1,0,1,0,0|1,1,0]=4 20520 B15R1.604 COC[C@@H]1CCCN1CCCOC(=S)C 34a_100020646714_200135323944 [0,1,0,1,0,0|1,1,0]=4 20521 B15R1.604 COC[C@@H]1CCCN1CCCSC(=O)C 2230a_100020646714_100000038929 [0,1,0,1,0,0|1,1,0]=4 20522 B15R1.604 COC[C@@H]1CCCN1CCCSC(=O)C 269982a_100020646714_100000038929 [0,1,0,1,0,0|1,1,0]=4 20523 B15R1.604 COC[C@@H]1CCCN1CCCSC(=O)C 34a_100020646714_100000038929 [0,1,0,1,0,0|1,1,0]=4 20524 B15R1.1051 CC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000053229 [0,1,0,1,0,0|2,0,0]=4 20525 B15R1.1051 CC(=O)OCN1CCCCC1CCCO 269982a_100011934581_100000076356 [0,1,0,1,0,0|1,0,0]=3 20526 B15R1.1051 CC(=O)OCN1CCCCC1CCCO 34a_100011934581_100009813279 [0,1,0,1,0,0|1,0,0]=3 20527 B15R1.1051 CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210211 [0,1,0,1,0,0|2,0,0]=4 20528 B15R1.1051 COCCC1CCCCN1CCC(=O)C 269982a_100015186528_100000053229 [0,1,0,1,0,0|2,0,0]=4 20529 B15R1.1051 COCCC1CCCCN1COC(=O)C 269982a_100015186528_100000076356 [0,1,0,1,0,0|1,0,0]=3 20530 B15R1.1051 COCCC1CCCCN1COC(=O)C 34a_100015186528_100009813279 [0,1,0,1,0,0|1,0,0]=3 20531 B15R1.1068 CCCCC1C=CCN1CCOC(=O)C 269982a_100015184376_100009814007 [0,1,0,1,0,0|0,0,2]=4 20532 B15R1.1068 CCCCC1C=CCN1CCOC(=O)C 34a_100015184376_100009814007 [0,1,0,1,0,0|0,0,2]=4 20533 B15R1.1068 CCCCC1CCCC1NCC=C(C)C 270004a_100000718196_100000750825 [0,1,0,1,0,0|2,0,0]=4 20534 B15R1.1068 CCCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000750825 [0,1,0,1,0,0|2,0,0]=4 20535 B15R1.1168 C=C1CC(C1)CNCCCCCCCC 2230a_100102567296_100000210759 [0,1,0,1,0,0|2,0,0]=4 20536 B15R1.1168 C=C1CC(C1)CNCCCCCCCC 34a_100102567296_100000210759 [0,1,0,1,0,0|2,0,0]=4 20537 B15R1.1168 C=C1CC(C1)COCCCCCCCC 34a_100011011225_100000210759 [0,1,0,1,0,0|2,0,0]=4 20538 B15R1.1168 C=C1CC(C1)NCCCCCCCCC 2230a_100132301982_100011214924 [0,1,0,1,0,0|2,0,0]=4 20539 B15R1.1168 CCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210670 [0,1,0,1,0,0|1,0,0]=3 20540 B15R1.1168 CCCCCCCCNCC1CC(=O)C1 2230a_100000229939_100009874392 [0,1,0,1,0,0|1,0,0]=3 20541 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210759 [0,1,0,1,0,0|1,0,0]=3 20542 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 7a_100000210232_100009874392 [0,1,0,1,0,0|1,0,0]=3 20543 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100000210759_100009874392 [0,1,0,1,0,0|1,0,0]=3 20544 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210317 [0,1,0,1,0,0|1,0,0]=3 20545 B15R1.1168 CCCCCOCCOCC1CC(=O)C1 7a_100011215259_100009874392 [0,1,0,1,0,0|2,0,0]=4 20546 B15R1.1168 CCCCOCCCNCC1CC(=O)C1 2230a_200000211371_100009874392 [0,1,0,1,0,0|2,0,0]=4 20547 B15R1.1168 CCCCOCCCOCC1CC(=O)C1 7a_200011215613_100009874392 [0,1,0,1,0,0|2,0,0]=4 20548 B15R1.1168 COCCCCCCOCC1CC(=O)C1 34a_100000101936_100011998445 [0,1,0,1,0,0|2,0,0]=4 20549 B15R1.1168 COCCCCCCOCC1CC(=O)C1 7a_200012092642_100009874392 [0,1,0,1,0,0|2,0,0]=4 20550 B15R1.1168 COCCCCCCSCC1CC(=O)C1 62a_100009874392_100011998445 [0,1,0,1,0,0|2,0,0]=4 20551 B15R1.1168 COCCCCCCSCC1CC(=O)C1 62a_100011998445_100009874392 [0,1,0,1,0,0|2,0,0]=4 20552 B15R1.1168 O=C1CC(C1)CNCCCCCCCO 2230a_100011996573_100009874392 [0,1,0,1,0,0|2,0,0]=4 20553 B15R1.1168 O=C1CC(C1)COCCCCCCCBr 7a_100000760002_100009874392 [0,1,0,1,0,0|2,0,0]=4 20554 B15R1.1168 O=C1CC(C1)COCCCCCCCO 34a_100000101936_100000760002 [0,1,0,1,0,0|2,0,0]=4 20555 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100000760002_100009874392 [0,1,0,1,0,0|2,0,0]=4 20556 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100009874392_100000760002 [0,1,0,1,0,0|2,0,0]=4 20557 B15R1.1168 O=C1CC(C1)SCCCCCCCCO 62a_100009894365_100000033203 [0,1,0,1,0,0|2,0,0]=4 20558 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210326 [0,1,0,1,0,0|2,0,0]=4 20559 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210215 [0,1,0,1,0,0|2,0,0]=4 20560 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000718602 [0,1,0,1,0,0|2,0,0]=4 20561 B15R1.1201 CCCCCC1CCCC1=NNC(=O)C 4a_100000189765_200000198059 [0,1,0,1,0,0|1,0,1]=4 20562 B15R1.1949 CCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210681 [0,1,0,1,0,0|1,0,0]=3 20563 B15R1.1949 CCCCOCCN1CCCNC(=O)C1 2230a_100015190381_100000743108 [0,1,0,1,0,0|2,0,0]=4 20564 B15R1.1949 O=C1CN(CCCN1)CCCCCCF 2230a_100015190381_100015922095 [0,1,0,1,0,0|2,0,0]=4 20565 B15R1.1949 O=C1CN(CCCN1)CCCCCCO 2230a_100015190381_100000766143 [0,1,0,1,0,0|2,0,0]=4 20566 B15R1.3525 CC(=O)N1CCC[C@@H]1COCCCCF 34a_100012242843_100000729493 [0,1,0,1,0,0|2,0,0]=4 20567 B15R1.3525 CC(=O)N1CCC[C@@H]1COCCCCF 7a_100012242843_100000729493 [0,1,0,1,0,0|2,0,0]=4 20568 B15R1.3525 CC(=O)N1CCC[C@@H]1COCCCCO 34a_100012242843_100011216708 [0,1,0,1,0,0|2,0,0]=4 20569 B15R1.3525 CC(=O)N1CCC[C@@H]1COCCCCO 7a_100012242843_100000210776 [0,1,0,1,0,0|2,0,0]=4 20570 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210681 [0,1,0,1,0,0|2,0,0]=4 20571 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210614 [0,1,0,1,0,0|2,0,0]=4 20572 B15R1.3525 CCCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000718602 [0,1,0,1,0,0|2,0,0]=4 20573 B15R1.3525 CCCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210326 [0,1,0,1,0,0|2,0,0]=4 20574 B15R1.3525 CCCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000718602 [0,1,0,1,0,0|1,0,0]=3 20575 B15R1.3525 CCCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210326 [0,1,0,1,0,0|1,0,0]=3 20576 B15R1.3525 CCOCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210147 [0,1,0,1,0,0|2,0,0]=4 20577 B15R1.3525 CCOCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100011215890 [0,1,0,1,0,0|2,0,0]=4 20578 B15R1.3525 CCSCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000757381 [0,1,0,1,0,0|2,0,0]=4 20579 B15R1.3525 CCSCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000757381 [0,1,0,1,0,0|2,0,0]=4 20580 B15R1.3525 COCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000740836 [0,1,0,1,0,0|2,0,0]=4 20581 B15R1.3525 COCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000740836 [0,1,0,1,0,0|2,0,0]=4 20582 B15R1.3745 CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210326 [0,1,0,1,0,0|2,0,0]=4 20583 B15R1.4152 CCCCCNN=C1CCC1OC(=O)C 4a_100000694160_100010634149 [0,1,0,1,0,0|1,0,1]=4 20584 B15R1.8920 C=C(C)CCOCC1CCCCCCC1 34a_100011216312_100000730704 [0,1,0,1,0,0|2,0,0]=4 20585 B15R1.8920 C=C(C)CCOCC1CCCCCCC1 7a_100011216312_100000730704 [0,1,0,1,0,0|2,0,0]=4 20586 B15R1.8920 C=C(C)CNCCC1CCCCCCC1 2230a_100011532352_100000748629 [0,1,0,1,0,0|2,0,0]=4 20587 B15R1.8920 C=C(C)CNCCC1CCCCCCC1 34a_100011532352_100000748629 [0,1,0,1,0,0|2,0,0]=4 20588 B15R1.8920 CC(=CCCNC1CCCCCCC1)C 2230a_100000211152_100011217483 [0,1,0,1,0,0|2,0,0]=4 20589 B15R1.8920 CC(=CCCNC1CCCCCCC1)C 34a_100000211152_100011217483 [0,1,0,1,0,0|2,0,0]=4 20590 B15R1.8920 CC(=CCCOC1CCCCCCC1)C 34a_100000210054_100011217483 [0,1,0,1,0,0|2,0,0]=4 20591 B15R1.8920 CC(=CCCOC1CCCCCCC1)C 7a_100000210054_100011217483 [0,1,0,1,0,0|2,0,0]=4 20592 B15R1.8920 CC(=CCOCC1CCCCCCC1)C 34a_100011216312_100000761012 [0,1,0,1,0,0|2,0,0]=4 20593 B15R1.8920 CC(=CCOCC1CCCCCCC1)C 7a_100011216312_100000761012 [0,1,0,1,0,0|2,0,0]=4 20594 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000735457 [0,1,0,1,0,0|1,0,0]=3 20595 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 34a_100000211400_100009817362 [0,1,0,1,0,0|1,0,0]=3 20596 B15R1.8920 CC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000685027 [0,1,0,1,0,0|1,0,0]=3 20597 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000685027 [0,1,0,1,0,0|1,0,0]=3 20598 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011215641 [0,1,0,1,0,0|1,0,0]=3 20599 B15R1.8920 CC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000053229 [0,1,0,1,0,0|1,0,0]=3 20600 B15R1.8920 CC(=O)NCCNC1CCCCCCC1 2230a_100000211152_100000189650 [0,1,0,1,0,0|1,0,0]=3 20601 B15R1.8920 CC(=O)NCCOC1CCCCCCC1 7a_100000210054_100000189650 [0,1,0,1,0,0|1,0,0]=3 20602 B15R1.8920 CC(=O)OCCCN1CCCCCCC1 269982a_100000211400_100000042594 [0,1,0,1,0,0|0,0,0]=2 20603 B15R1.8920 CC(=O)OCCCN1CCCCCCC1 34a_100000211400_100000042594 [0,1,0,1,0,0|0,0,0]=2 20604 B15R1.8920 CC(=O)OCCNC1CCCCCCC1 34a_100000211152_100009814007 [0,1,0,1,0,0|0,0,0]=2 20605 B15R1.8920 CC(=O)OCCOC1C=CCCCCC1 34a_100000688657_100009814007 [0,1,0,1,0,0|0,0,2]=4 20606 B15R1.8920 CC(=O)OCCOC1CC/C=C\CCC1 34a_100016989180_100009814007 [0,1,0,1,0,0|0,0,2]=4 20607 B15R1.8920 CC(=O)OCCOC1CCCCCCC1 34a_100000210054_100009814007 [0,1,0,1,0,0|0,0,0]=2 20608 B15R1.8920 CC(=O)OCCOC1CCCCCCC1 7a_100000210054_100009814007 [0,1,0,1,0,0|0,0,0]=2 20609 B15R1.8920 CC(=O)OCCSC1CC/C=C\CCC1 62a_100009814007_100021000466 [0,1,0,1,0,0|0,0,2]=4 20610 B15R1.8920 CC(=O)OCCSC1CC/C=C\CCC1 62a_100021000466_100009814007 [0,1,0,1,0,0|0,0,2]=4 20611 B15R1.8920 CC(=O)OCNCC1CC/C=C\CCC1 34a_100102730862_100009813279 [0,1,0,1,0,0|0,0,2]=4 20612 B15R1.8920 CC(=O)OCOCC1CCCCCCC1 34a_100011216312_100009813279 [0,1,0,1,0,0|0,0,0]=2 20613 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 2230a_100000211400_100000038929 [0,1,0,1,0,0|0,1,0]=3 20614 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 269982a_100000211400_100000038929 [0,1,0,1,0,0|0,1,0]=3 20615 B15R1.8920 CC(=O)SCCCN1CCCCCCC1 34a_100000211400_100000038929 [0,1,0,1,0,0|0,1,0]=3 20616 B15R1.8920 CC(=S)OCCCN1CCCCCCC1 2230a_100000211400_200135323944 [0,1,0,1,0,0|0,1,0]=3 20617 B15R1.8920 CC(=S)OCCCN1CCCCCCC1 269982a_100000211400_200135323944 [0,1,0,1,0,0|0,1,0]=3 20618 B15R1.8920 CC(=S)OCCCN1CCCCCCC1 34a_100000211400_200135323944 [0,1,0,1,0,0|0,1,0]=3 20619 B15R1.8920 CC(C)OCCNC1CCCCCCC1 2230a_100000211152_100000211751 [0,1,0,1,0,0|1,0,1]=4 20620 B15R1.8920 CC(C)OCCNC1CCCCCCC1 270004a_100000701111_100000210524 [0,1,0,1,0,0|1,0,1]=4 20621 B15R1.8920 CC(C)OCCNC1CCCCCCC1 34a_100000211152_100000211751 [0,1,0,1,0,0|1,0,1]=4 20622 B15R1.8920 CC(C)OCCOC1CCCCCCC1 34a_100000210054_100000211751 [0,1,0,1,0,0|1,0,1]=4 20623 B15R1.8920 CC(C)OCCOC1CCCCCCC1 7a_100000210054_100000211751 [0,1,0,1,0,0|1,0,1]=4 20624 B15R1.8920 CC(C)OCOCC1CCCCCCC1 34a_100011216312_100000709892 [0,1,0,1,0,0|1,0,1]=4 20625 B15R1.8920 CS(=O)CCCNC1CCCCCCC1 270004a_200000753449_100000210524 [0,1,0,1,0,0|2,0,0]=4 20626 B15R1.8920 NC(=O)CCCNC1CCCCCCC1 34a_100000211152_100102525003 [0,1,0,1,0,0|2,0,0]=4 20627 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 34a_100000210054_100102525003 [0,1,0,1,0,0|2,0,0]=4 20628 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 7a_100000210054_100102525003 [0,1,0,1,0,0|2,0,0]=4 20629 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000731001 [0,1,0,1,0,0|2,0,0]=4 20630 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000744528 [0,1,0,1,0,0|2,0,0]=4 20631 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747473 [0,1,0,1,0,0|2,0,0]=4 20632 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000187820 [0,1,0,1,0,0|2,0,0]=4 20633 B15R1.8920 NC(=O)COCCN1CCCCCCC1 2230a_100000211400_100000076697 [0,1,0,1,0,0|2,0,0]=4 20634 B15R1.8920 NC(=O)COCCN1CCCCCCC1 269982a_100000211400_100000076697 [0,1,0,1,0,0|2,0,0]=4 20635 B15R1.8920 NC(=O)COCCN1CCCCCCC1 34a_100000211400_100000076697 [0,1,0,1,0,0|2,0,0]=4 20636 B15R1.8920 NC(=O)NCCNC1CCCCCCC1 2230a_100000211152_200000034859 [0,1,0,1,0,0|2,0,0]=4 20637 B15R1.8920 NC(=O)NCCOC1CCCCCCC1 7a_100000210054_200000034859 [0,1,0,1,0,0|2,0,0]=4 20638 B15R1.8920 NC(=O)OCCNC1CCCCCCC1 34a_100000211152_200011214921 [0,1,0,1,0,0|1,0,0]=3 20639 B15R1.8920 NC(=O)OCCOC1CCCCCCC1 34a_100000210054_200011214921 [0,1,0,1,0,0|1,0,0]=3 20640 B15R1.8920 NC(=O)OCCOC1CCCCCCC1 7a_100000210054_200011214921 [0,1,0,1,0,0|1,0,0]=3 20641 B15R1.8920 O=C([O-])CNCCC1CCCCCCC1 34a_100011532352_100020667443 [0,1,0,1,0,0|2,0,0]=4 20642 B15R1.9199 BrCCCCCCCCCCOC1CC1 34a_100009813290_100000211595 [0,1,0,1,0,0|1,0,1]=4 20643 B15R1.9199 CCCCCCCCCCCOC1CC1 34a_100000210809_100000211595 [0,1,0,1,0,0|1,0,1]=4 20644 B15R1.9199 CCCCCCCCCCOCC1CC1 34a_100000210711_100000742324 [0,1,0,1,0,0|1,0,1]=4 20645 B15R1.9199 CCCCCCCCCCOCC1CC1 34a_100000211283_100000210320 [0,1,0,1,0,0|1,0,1]=4 20646 B15R1.9199 CCCCCCCCCCOCC1CC1 7a_100000210711_100000742324 [0,1,0,1,0,0|1,0,1]=4 20647 B15R1.9199 CCCCCCCCCCOCC1CO1 34a_100000210711_102125554688 [0,1,0,1,0,0|0,0,2]=4 20648 B15R1.9199 CCCCCCCCCCOCC1CO1 7a_100000210711_102125554688 [0,1,0,1,0,0|0,0,2]=4 20649 B15R1.9199 CCCCCCCCCCOCC1CS1 7a_100000210711_100000031435 [0,1,0,1,0,0|0,1,1]=4 20650 B15R1.9199 CCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210320 [0,1,0,1,0,0|0,0,2]=4 20651 B15R1.9199 CCCCCCCCCCOC[C@@H]1CO1 7a_100000210711_100000745022 [0,1,0,1,0,0|0,0,2]=4 20652 B15R1.9199 ClCCCCCCCCCCOC1CC1 34a_200000033068_100000211595 [0,1,0,1,0,0|1,0,1]=4 20653 B15R1.9199 NCCCCCCCCCCOC1CC1 34a_100000066964_100000211595 [0,1,0,1,0,0|1,0,1]=4 20654 B15R1.9274 CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210759 [0,1,0,1,0,0|2,0,0]=4 20655 B15R1.10901 CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210207 [0,1,0,1,0,0|2,0,0]=4 20656 B15R1.544 CC(=O)OCCCN1CCC(C1)CCO 269982a_100016987287_100000042594 [0,1,0,1,0,0|2,0,0]=4 20657 B15R1.544 CC(=O)OCCCN1CCC(C1)CCO 34a_100016987287_100000042594 [0,1,0,1,0,0|2,0,0]=4 20658 B15R1.544 CCO[C@H]1CCN(C1)CCCOC(=O)C 269982a_100011787710_100000042594 [0,1,0,1,0,0|2,0,0]=4 20659 B15R1.544 CCO[C@H]1CCN(C1)CCCOC(=O)C 34a_100011787710_100000042594 [0,1,0,1,0,0|2,0,0]=4 20660 B15R1.544 COCC1CCN(C1)CCCOC(=O)C 269982a_100025706693_100000042594 [0,1,0,1,0,0|2,0,0]=4 20661 B15R1.544 COCC1CCN(C1)CCCOC(=O)C 34a_100025706693_100000042594 [0,1,0,1,0,0|2,0,0]=4 20662 B15R1.633 CCCC(C)COCC1CCNC(=O)C1 34a_100009886756_100011216630 [0,1,0,1,0,0|2,0,0]=4 20663 B15R1.777 CCCC(C)CCCOC1COC(=O)O1 34a_100011713154_100000032252 [0,1,0,1,0,0|2,0,0]=4 20664 B15R1.777 CCCC(C)CCOCC1COC(=O)O1 34a_100011217855_100000073702 [0,1,0,1,0,0|2,0,0]=4 20665 B15R1.777 CCCC(C)CCOC[C@H]1COC(=O)N1 34a_100011217855_100015307671 [0,1,0,1,0,0|2,0,0]=4 20666 B15R1.777 CCCC(C)CCOC[C@H]1COC(=O)N1 7a_100011217855_100015307671 [0,1,0,1,0,0|2,0,0]=4 20667 B15R1.777 CCC[C@H](N)CCOCC1COC(=O)O1 34a_100015193777_100000073702 [0,1,0,1,0,0|2,0,0]=4 20668 B15R1.777 CCC[C@H](N)CCOC[C@H]1COC(=O)N1 34a_100015193777_100015307671 [0,1,0,1,0,0|2,0,0]=4 20669 B15R1.784 CCCC(C)CCCOCC1CC(=O)C1 7a_100011713154_100009874392 [0,1,0,1,0,0|2,0,0]=4 20670 B15R1.3867 CCCC(C)OC[C@H]1CCCN1C(=O)C 34a_100012242843_100000766640 [0,1,0,1,0,0|2,0,0]=4 20671 B15R1.3867 CCCC(C)OC[C@H]1CCCN1C(=O)C 7a_100012242843_100000766640 [0,1,0,1,0,0|2,0,0]=4 20672 B15R1.5821 CC(=O)CCCOC1CCC(CC1C)C 34a_100011539931_100000685027 [0,1,0,1,0,0|2,0,0]=4 20673 B15R1.5821 CC(=O)CCCOC1CCC(CC1C)C 7a_100011539931_100011215641 [0,1,0,1,0,0|2,0,0]=4 20674 B15R1.5821 CC(=O)NCCOC1CCC(CC1C)C 7a_100011539931_100000189650 [0,1,0,1,0,0|2,0,0]=4 20675 B15R1.5821 CC(=O)OCCCN1CCN(C[C@@H]1C)C 269982a_100012002466_100000042594 [0,1,0,1,0,0|2,0,0]=4 20676 B15R1.5821 CC(=O)OCCOC1CCC(CC1C)C 34a_100011539931_100009814007 [0,1,0,1,0,0|1,0,0]=3 20677 B15R1.5821 CC(=O)OCCOC1CCC(CC1C)C 7a_100011539931_100009814007 [0,1,0,1,0,0|1,0,0]=3 20678 B15R1.5821 CC1CCC(C(C1)C)OCCOC(=O)N 34a_100011539931_200011214921 [0,1,0,1,0,0|2,0,0]=4 20679 B15R1.5821 CC1CCC(C(C1)C)OCCOC(=O)N 7a_100011539931_200011214921 [0,1,0,1,0,0|2,0,0]=4 20680 B15R1.12289 CC(=O)NCCCCCNC(C)C1CC1 269862a_200012022750_100000210639 [0,1,0,1,0,0|2,0,0]=4 20681 B15R1.12289 CC(=O)OCCCCCNC(C)C1CC1 2230a_100000700016_100009813381 [0,1,0,1,0,0|1,0,0]=3 20682 B15R1.12289 CC(=O)OCCCCCNC(C)C1CC1 34a_100000700016_100000033007 [0,1,0,1,0,0|1,0,0]=3 20683 B15R1.12289 CC(=O)OCCCCCOC(C)C1CC1 34a_100000744524_100000033007 [0,1,0,1,0,0|1,0,0]=3 20684 B15R1.12289 CC(=O)OCCCCCOC(C)C1CC1 7a_100000744524_100000033007 [0,1,0,1,0,0|1,0,0]=3 20685 B15R1.12289 CC(=O)OCCCCNCC(O)C1CC1 34a_100000751198_100000033659 [0,1,0,1,0,0|1,0,0]=3 20686 B15R1.12289 CC(=O)OCCCCOCC(=O)C1CC1 34a_100000073216_100000746382 [0,1,0,1,0,0|1,0,1]=4 20687 B15R1.12289 CC(=O)OCCCCOCC(=O)C1CC1 34a_100000686663_100000033659 [0,1,0,1,0,0|1,0,1]=4 20688 B15R1.12289 CC(=O)OCCCCOCC(=O)C1CC1 7a_100000073216_100000746382 [0,1,0,1,0,0|1,0,1]=4 20689 B15R1.12289 CC(=O)OCCCCOC[C@H](N)C1CC1 34a_100020623730_100000033659 [0,1,0,1,0,0|1,0,0]=3 20690 B15R1.12289 CC(=O)OCCCCSCC(=O)C1CC1 62a_100000033659_100000746382 [0,1,0,1,0,0|1,0,1]=4 20691 B15R1.12289 CC(=O)OCCCCSCC(=O)C1CC1 62a_100000746382_100000033659 [0,1,0,1,0,0|1,0,1]=4 20692 B15R1.12289 CC(=O)OCCOCCNC(C)C1CC1 2230a_100000700016_200000083610 [0,1,0,1,0,0|2,0,0]=4 20693 B15R1.12289 CC(=O)OCCOCCNC(C)C1CC1 34a_100000700016_200000083610 [0,1,0,1,0,0|2,0,0]=4 20694 B15R1.12289 CC(=O)OCCOCCOC(C)C1CC1 34a_100000744524_200000083610 [0,1,0,1,0,0|2,0,0]=4 20695 B15R1.12289 CC(=O)OCCOCCOC(C)C1CC1 7a_100000744524_200000083610 [0,1,0,1,0,0|2,0,0]=4 20696 B15R1.12289 CC(=O)OCCOCNCC(O)C1CC1 34a_100000751198_100000076355 [0,1,0,1,0,0|2,0,0]=4 20697 B15R1.12289 CC(=O)OCCOCOC[C@H](N)C1CC1 34a_100020623730_100000076355 [0,1,0,1,0,0|2,0,0]=4 20698 B15R1.12289 CC(=O)SCCCCNCC(O)C1CC1 2230a_100000751198_200010402107 [0,1,0,1,0,0|1,1,0]=4 20699 B15R1.12289 CC(=O)SCCCCNCC(O)C1CC1 34a_100000751198_200010402107 [0,1,0,1,0,0|1,1,0]=4 20700 B15R1.12289 CC(=O)SCCCCOC[C@H](N)C1CC1 34a_100020623730_200010402107 [0,1,0,1,0,0|1,1,0]=4 20701 B15R1.25622 CC(=O)OCCN1CCCN(CC1C)C 269982a_100011935175_100009814007 [0,1,0,1,0,0|2,0,0]=4 20702 B15R1.31279 CC(=O)NCCCCNCC1(CCC1)C 2230a_200011368371_100000726658 [0,1,0,1,0,0|2,0,0]=4 20703 B15R1.31279 CC(=O)NCCCCNCC1(CCC1)C 34a_200011368371_100000726658 [0,1,0,1,0,0|2,0,0]=4 20704 B15R1.31279 CC(=O)OCCCCCNC1(CCC1)C 2230a_100000692455_100009813381 [0,1,0,1,0,0|1,0,0]=3 20705 B15R1.31279 CC(=O)OCCCCCNC1(CCC1)C 34a_100000692455_100000033007 [0,1,0,1,0,0|1,0,0]=3 20706 B15R1.31279 CC(=O)OCCCCCNC1(COC1)C 2230a_100000732644_100009813381 [0,1,0,1,0,0|2,0,0]=4 20707 B15R1.31279 CC(=O)OCCCCCOC1(CCC1)C 34a_100000759064_100000033007 [0,1,0,1,0,0|1,0,0]=3 20708 B15R1.31279 CC(=O)OCCCCCOC1(CCC1)C 7a_100000759064_100000033007 [0,1,0,1,0,0|1,0,0]=3 20709 B15R1.31279 CC(=O)OCCCCCOC1(CSC1)C 7a_100016018533_100000033007 [0,1,0,1,0,0|2,0,0]=4 20710 B15R1.31279 CC(=O)OCCCCOCC1(CCC1)C 34a_100000073216_100000726658 [0,1,0,1,0,0|1,0,0]=3 20711 B15R1.31279 CC(=O)OCCCCOCC1(CCC1)C 7a_100000073216_100000726658 [0,1,0,1,0,0|1,0,0]=3 20712 B15R1.31279 CC(=O)OCCCCOCC1(COC1)C 34a_100000073216_100009817586 [0,1,0,1,0,0|2,0,0]=4 20713 B15R1.31279 CC(=O)OCCCCOCC1(COC1)C 7a_100000073216_100009817586 [0,1,0,1,0,0|2,0,0]=4 20714 B15R1.31279 CC(=O)OCCCCOCC1(CSC1)C 34a_100000732658_100000033659 [0,1,0,1,0,0|2,0,0]=4 20715 B15R1.31279 CC(=O)OCCCCOCC1(CSC1)C 7a_100000732658_100000033659 [0,1,0,1,0,0|2,0,0]=4 20716 B15R1.31279 CC(=O)OCCCCSCC1(CCC1)C 62a_100000033659_100000726658 [0,1,0,1,0,0|1,0,0]=3 20717 B15R1.31279 CC(=O)OCCCCSCC1(CCC1)C 62a_100000726658_100000033659 [0,1,0,1,0,0|1,0,0]=3 20718 B15R1.31279 CC(=O)OCCCCSCC1(COC1)C 62a_100000033659_100009817586 [0,1,0,1,0,0|2,0,0]=4 20719 B15R1.31279 CC(=O)OCCCCSCC1(COC1)C 62a_100009817586_100000033659 [0,1,0,1,0,0|2,0,0]=4 20720 B15R1.31279 CC(=O)OCCOCCNC1(CCC1)C 2230a_100000692455_200000083610 [0,1,0,1,0,0|2,0,0]=4 20721 B15R1.31279 CC(=O)OCCOCCNC1(CCC1)C 34a_100000692455_200000083610 [0,1,0,1,0,0|2,0,0]=4 20722 B15R1.31279 CC(=O)OCCOCCOC1(CCC1)C 34a_100000759064_200000083610 [0,1,0,1,0,0|2,0,0]=4 20723 B15R1.31279 CC(=O)OCCOCCOC1(CCC1)C 7a_100000759064_200000083610 [0,1,0,1,0,0|2,0,0]=4 20724 B15R1.31279 CC(=O)OCCOCSCC1(CCC1)C 62a_100000076355_100000726658 [0,1,0,1,0,0|2,0,0]=4 20725 B15R1.31279 CC(=O)OCCOCSCC1(CCC1)C 62a_100000726658_100000076355 [0,1,0,1,0,0|2,0,0]=4 20726 B15R1.31279 CC(=O)SCCCCNCC1(CCC1)C 2230a_100000706607_200010402107 [0,1,0,1,0,0|1,1,0]=4 20727 B15R1.31279 CC(=O)SCCCCNCC1(CCC1)O 2230a_100000752638_200010402107 [0,1,0,1,0,0|1,1,0]=4 20728 B15R1.31279 CC(=O)SCCCCSCC1(CCC1)C 62a_100000726658_200010402107 [0,1,0,1,0,0|1,1,0]=4 20729 B15R1.31279 CC(=O)SCCCCSCC1(CCC1)C 62a_200010402107_100000726658 [0,1,0,1,0,0|1,1,0]=4 20730 B15R1.31 CCCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210757 [0,1,0,1,0,0|1,0,1]=4 20731 B15R1.31 CCCCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100102632555 [0,1,0,1,0,0|1,0,1]=4 20732 B15R1.31 CCCCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100102632555 [0,1,0,1,0,0|1,0,1]=4 20733 B15R1.31 CCCCCCC(=O)N1CCOC(=O)C1 527a_100000131268_100102632555 [0,1,0,1,0,0|1,0,1]=4 20734 B15R1.31 CCCCCCC(C)N1CCNC(=O)C1 2230a_100000184651_100011215978 [0,1,0,1,0,0|2,0,0]=4 20735 B15R1.31 CCCCCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000210826 [0,1,0,1,0,0|2,0,0]=4 20736 B15R1.31 CCCCCCC(C)N1CCOC(=O)C1 2230a_100000131268_100011215978 [0,1,0,1,0,0|1,0,0]=3 20737 B15R1.31 CCCCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000210826 [0,1,0,1,0,0|1,0,0]=3 20738 B15R1.82 CCCCCCC(=O)CC1COC(=O)O1 1458a_100102632555_100000073702 [0,1,0,1,0,0|1,0,1]=4 20739 B15R1.82 CCCCCCC(=O)C[C@H]1COC(=O)N1 1458a_100102632555_100015307671 [0,1,0,1,0,0|1,0,1]=4 20740 B15R1.82 CCCCCCC(C)NC1CNC(=O)C1 2230a_100000697751_100011215978 [0,1,0,1,0,0|2,0,0]=4 20741 B15R1.82 CCCCCCC(C)NC1COC(=O)O1 34a_100000210919_100000032252 [0,1,0,1,0,0|2,0,0]=4 20742 B15R1.82 CCCCCCC(C)OC1CCC(=O)C1 34a_100012614533_100011215978 [0,1,0,1,0,0|2,0,0]=4 20743 B15R1.82 CCCCCCC(C)OC1CNC(=O)C1 34a_100000690082_100011215978 [0,1,0,1,0,0|2,0,0]=4 20744 B15R1.82 CCCCCCC(C)OC1COC(=O)O1 34a_100000210265_100000032252 [0,1,0,1,0,0|2,0,0]=4 20745 B15R1.82 CCCCCCC(C)SC1COC(=O)O1 62a_100011215978_100000032252 [0,1,0,1,0,0|2,0,0]=4 20746 B15R1.82 CCCCCCN(C)CC1COC(=O)O1 269982a_106256046315_100000073702 [0,1,0,1,0,0|2,0,0]=4 20747 B15R1.82 CCCCCCN(C)C[C@H]1COC(=O)N1 2230a_106256046315_100015307671 [0,1,0,1,0,0|2,0,0]=4 20748 B15R1.82 CCCCCCN(C)C[C@H]1COC(=O)N1 269982a_106256046315_100015307671 [0,1,0,1,0,0|2,0,0]=4 20749 B15R1.497 CC(=O)CCCCC(=O)C1CCCCC1 1458a_100000210647_100000735457 [0,1,0,1,0,0|1,0,1]=4 20750 B15R1.497 CC(=O)CCCCN(C)C1CCCCC1 269982a_100000207522_100000735457 [0,1,0,1,0,0|2,0,0]=4 20751 B15R1.497 CC(=O)CCCCN(C)C1CCCCC1 34a_100000207522_100009817362 [0,1,0,1,0,0|2,0,0]=4 20752 B15R1.497 CC(=O)CCCN[C@H](C)C1CCCCC1 34a_100025707633_100000685027 [0,1,0,1,0,0|2,0,0]=4 20753 B15R1.497 CC(=O)CCCOC(C)C1CCCCC1 34a_100011216961_100000685027 [0,1,0,1,0,0|2,0,0]=4 20754 B15R1.497 CC(=O)CCCOC(C)C1CCCCC1 7a_100011216961_100011215641 [0,1,0,1,0,0|2,0,0]=4 20755 B15R1.497 CC(=O)NCCCC(=O)C1CCCCC1 1458a_100000194741_100000210327 [0,1,0,1,0,0|1,0,1]=4 20756 B15R1.497 CC(=O)NCCNC(C)C1CCCCC1 269862a_100000209853_100000210989 [0,1,0,1,0,0|2,0,0]=4 20757 B15R1.497 CC(=O)NCCN[C@H](C)C1CCCCC1 2230a_100025707633_100000189650 [0,1,0,1,0,0|2,0,0]=4 20758 B15R1.497 CC(=O)NCCOC(C)C1CCCCC1 7a_100011216961_100000189650 [0,1,0,1,0,0|2,0,0]=4 20759 B15R1.497 CC(=O)OCCCC(=O)C1CCCCC1 1458a_100000210647_100000042594 [0,1,0,1,0,0|0,0,1]=3 20760 B15R1.497 CC(=O)OCCCC(=O)C1CCCCO1 1458a_100000748299_100000042594 [0,1,0,1,0,0|1,0,1]=4 20761 B15R1.497 CC(=O)OCCCC(=O)C1CCCOC1 1458a_100000741522_100000042594 [0,1,0,1,0,0|1,0,1]=4 20762 B15R1.497 CC(=O)OCCCC(=O)C1CCOCC1 1458a_100000195482_100000042594 [0,1,0,1,0,0|1,0,1]=4 20763 B15R1.497 CC(=O)OCCCC(=O)C1CCSCC1 1458a_100000755232_100000042594 [0,1,0,1,0,0|1,0,1]=4 20764 B15R1.497 CC(=O)OCCCN(C)C1CCCCC1 269982a_100000207522_100000042594 [0,1,0,1,0,0|1,0,0]=3 20765 B15R1.497 CC(=O)OCCCN(C)C1CCCCC1 34a_100000207522_100000042594 [0,1,0,1,0,0|1,0,0]=3 20766 B15R1.497 CC(=O)OCCCN(C)C1CCOCC1 269982a_100020587155_100000042594 [0,1,0,1,0,0|2,0,0]=4 20767 B15R1.497 CC(=O)OCCCN(C)C1CCOCC1 34a_100020587155_100000042594 [0,1,0,1,0,0|2,0,0]=4 20768 B15R1.497 CC(=O)OCCCN(C)C1CCSCC1 269982a_100015184757_100000042594 [0,1,0,1,0,0|2,0,0]=4 20769 B15R1.497 CC(=O)OCCCN(C)C1CCSCC1 34a_100015184757_100000042594 [0,1,0,1,0,0|2,0,0]=4 20770 B15R1.497 CC(=O)OCCNC(=O)C1CCCCC1 11a_100000724843_100000210647 [0,1,0,1,0,0|1,0,1]=4 20771 B15R1.497 CC(=O)OCCNC(=O)C1CCCCC1 240690a_100000724843_100000210647 [0,1,0,1,0,0|1,0,1]=4 20772 B15R1.497 CC(=O)OCCNC(=O)C1CCCCC1 527a_100000724843_100000210647 [0,1,0,1,0,0|1,0,1]=4 20773 B15R1.497 CC(=O)OCCN[C@H](C)C1CCCCC1 34a_100025707633_100009814007 [0,1,0,1,0,0|1,0,0]=3 20774 B15R1.497 CC(=O)OCCOC(C)C1CCCCC1 34a_100011216961_100009814007 [0,1,0,1,0,0|1,0,0]=3 20775 B15R1.497 CC(=O)OCCOC(C)C1CCCCC1 7a_100011216961_100009814007 [0,1,0,1,0,0|1,0,0]=3 20776 B15R1.497 CC(=O)OCCOC(C)C1CCCNC1 34a_100000740858_100009814007 [0,1,0,1,0,0|2,0,0]=4 20777 B15R1.497 CC(=O)OCCOC(C)C1CCNCC1 34a_100011728446_100009814007 [0,1,0,1,0,0|2,0,0]=4 20778 B15R1.497 CC(=O)OCCO[C@H](C)C1CCOCC1 34a_100000703848_100009814007 [0,1,0,1,0,0|2,0,0]=4 20779 B15R1.497 CC(=O)OCCO[C@H](C)C1CCOCC1 7a_100000703848_100009814007 [0,1,0,1,0,0|2,0,0]=4 20780 B15R1.497 CC(=O)OCOC[C@H](N)C1CCCCC1 34a_100009817630_100009813279 [0,1,0,1,0,0|1,0,0]=3 20781 B15R1.497 CC(=O)OCSCC(=O)C1CCCCC1 62a_100000076356_100000241979 [0,1,0,1,0,0|1,0,1]=4 20782 B15R1.497 CC(=O)OCSCC(=O)C1CCCCC1 62a_100000241979_100000076356 [0,1,0,1,0,0|1,0,1]=4 20783 B15R1.497 CC(=O)SCCCC(=O)C1CCCCC1 1458a_100000210647_100000038929 [0,1,0,1,0,0|0,1,1]=4 20784 B15R1.497 CC(=O)SCCCN(C)C1CCCCC1 2230a_100000207522_100000038929 [0,1,0,1,0,0|1,1,0]=4 20785 B15R1.497 CC(=O)SCCCN(C)C1CCCCC1 269982a_100000207522_100000038929 [0,1,0,1,0,0|1,1,0]=4 20786 B15R1.497 CC(=O)SCCCN(C)C1CCCCC1 34a_100000207522_100000038929 [0,1,0,1,0,0|1,1,0]=4 20787 B15R1.497 CC(=O)SCCNC(C)C1CCCCC1 269862a_100020647217_100000210989 [0,1,0,1,0,0|1,1,0]=4 20788 B15R1.497 CC(=S)OCCCC(=O)C1CCCCC1 1458a_100000210647_200135323944 [0,1,0,1,0,0|0,1,1]=4 20789 B15R1.497 CC(=S)OCCCN(C)C1CCCCC1 2230a_100000207522_200135323944 [0,1,0,1,0,0|1,1,0]=4 20790 B15R1.497 CC(=S)OCCCN(C)C1CCCCC1 269982a_100000207522_200135323944 [0,1,0,1,0,0|1,1,0]=4 20791 B15R1.497 CC(=S)OCCCN(C)C1CCCCC1 34a_100000207522_200135323944 [0,1,0,1,0,0|1,1,0]=4 20792 B15R1.497 CC(OCCOC(=O)N)C1CCCCC1 34a_100011216961_200011214921 [0,1,0,1,0,0|2,0,0]=4 20793 B15R1.497 CC(OCCOC(=O)N)C1CCCCC1 7a_100011216961_200011214921 [0,1,0,1,0,0|2,0,0]=4 20794 B15R1.497 C[C@@H](NCCOC(=O)N)C1CCCCC1 34a_100025707633_200011214921 [0,1,0,1,0,0|2,0,0]=4 20795 B15R1.507 CC(=O)CCCCC(=O)CC1CCCC1 1458a_100000210891_100000735457 [0,1,0,1,0,0|1,0,1]=4 20796 B15R1.507 CC(=O)NCCCC(=O)CC1CCCC1 1458a_100000194741_100000740388 [0,1,0,1,0,0|1,0,1]=4 20797 B15R1.507 CC(=O)OCCCC(=O)CC1CCCC1 1458a_100000210891_100000042594 [0,1,0,1,0,0|0,0,1]=3 20798 B15R1.507 CC(=O)OCCCC(=O)CC1CCOC1 1458a_100011218419_100000042594 [0,1,0,1,0,0|1,0,1]=4 20799 B15R1.507 CC(=O)OCCCC(=O)CN1CCCC1 1458a_100000740243_100000042594 [0,1,0,1,0,0|1,0,1]=4 20800 B15R1.507 CC(=O)OCCCN(C)CC1CCCO1 269982a_100102946541_100000042594 [0,1,0,1,0,0|2,0,0]=4 20801 B15R1.507 CC(=O)OCCCN(C)CC1CCCO1 34a_100102946541_100000042594 [0,1,0,1,0,0|2,0,0]=4 20802 B15R1.507 CC(=O)OCCCN(C)CC1CCOC1 269982a_100000684583_100000042594 [0,1,0,1,0,0|2,0,0]=4 20803 B15R1.507 CC(=O)OCCCN(C)CC1CCOC1 34a_100000684583_100000042594 [0,1,0,1,0,0|2,0,0]=4 20804 B15R1.507 CC(=O)OCCNC(=O)CC1CCCC1 11a_100000724843_100000210891 [0,1,0,1,0,0|1,0,1]=4 20805 B15R1.507 CC(=O)OCCNC(=O)CC1CCCC1 240690a_100000724843_100000210891 [0,1,0,1,0,0|1,0,1]=4 20806 B15R1.507 CC(=O)OCCNC(=O)CC1CCCC1 527a_100000724843_100000210891 [0,1,0,1,0,0|1,0,1]=4 20807 B15R1.507 CC(=O)SCCCC(=O)CC1CCCC1 1458a_100000210891_100000038929 [0,1,0,1,0,0|0,1,1]=4 20808 B15R1.507 CC(=S)OCCCC(=O)CC1CCCC1 1458a_100000210891_200135323944 [0,1,0,1,0,0|0,1,1]=4 20809 B15R1.4539 CCCCCCC(C)NCC1CC(=O)C1 2230a_100000210919_100009874392 [0,1,0,1,0,0|2,0,0]=4 20810 B15R1.4539 CCCCCCC(C)OCC1CC(=O)C1 34a_100000101936_100011215978 [0,1,0,1,0,0|2,0,0]=4 20811 B15R1.4539 CCCCCCC(C)OCC1CC(=O)C1 7a_100000210265_100009874392 [0,1,0,1,0,0|2,0,0]=4 20812 B15R1.4539 CCCCCCC(C)SCC1CC(=O)C1 62a_100009874392_100011215978 [0,1,0,1,0,0|2,0,0]=4 20813 B15R1.4539 CCCCCCC(C)SCC1CC(=O)C1 62a_100011215978_100009874392 [0,1,0,1,0,0|2,0,0]=4 20814 B15R1.5858 CC(=O)CCCCC(=O)C1CCCC1C 1458a_100000690547_100000735457 [0,1,0,1,0,0|1,0,1]=4 20815 B15R1.5858 CC(=O)OCCCC(=O)C1CCCC1C 1458a_100000690547_100000042594 [0,1,0,1,0,0|0,0,1]=3 20816 B15R1.5858 CC(=O)OCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000042594 [0,1,0,1,0,0|1,0,1]=4 20817 B15R1.5858 CC(=O)OCCNC(=O)C1CCCC1C 11a_100000724843_100000690547 [0,1,0,1,0,0|1,0,1]=4 20818 B15R1.5858 CC(=O)OCCNC(=O)C1CCCC1C 240690a_100000724843_100000690547 [0,1,0,1,0,0|1,0,1]=4 20819 B15R1.5858 CC(=O)OCCNC(=O)C1CCCC1C 527a_100000724843_100000690547 [0,1,0,1,0,0|1,0,1]=4 20820 B15R1.5858 CC(=O)OCCO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_100009814007 [0,1,0,1,0,0|2,0,0]=4 20821 B15R1.5858 CC(=O)SCCCC(=O)C1CCCC1C 1458a_100000690547_100000038929 [0,1,0,1,0,0|0,1,1]=4 20822 B15R1.5858 CC(=S)OCCCC(=O)C1CCCC1C 1458a_100000690547_200135323944 [0,1,0,1,0,0|0,1,1]=4 20823 B15R1.9033 CC(=O)OCCCC(=O)CSCC1CC1 1458a_200011316215_100000042594 [0,1,0,1,0,0|1,0,1]=4 20824 B15R1.17020 CCCCCCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210757 [0,1,0,1,0,0|1,0,1]=4 20825 B15R1.31162 CC(=O)CCCNC1(CCCCCC1)C 34a_100000704638_100000685027 [0,1,0,1,0,0|2,0,0]=4 20826 B15R1.31162 CC(=O)CCCOC1(CCCCCC1)C 34a_100000708895_100000685027 [0,1,0,1,0,0|2,0,0]=4 20827 B15R1.31162 CC(=O)CCCOC1(CCCCCC1)C 7a_100000708895_100011215641 [0,1,0,1,0,0|2,0,0]=4 20828 B15R1.31162 CC(=O)NCCNC1(CCCCCC1)C 2230a_100000704638_100000189650 [0,1,0,1,0,0|2,0,0]=4 20829 B15R1.31162 CC(=O)NCCOC1(CCCCCC1)C 7a_100000708895_100000189650 [0,1,0,1,0,0|2,0,0]=4 20830 B15R1.31162 CC(=O)OCCNC1(CCCCCC1)C 34a_100000704638_100009814007 [0,1,0,1,0,0|1,0,0]=3 20831 B15R1.31162 CC(=O)OCCOC1(CCCCCC1)C 34a_100000708895_100009814007 [0,1,0,1,0,0|1,0,0]=3 20832 B15R1.31162 CC(=O)OCCOC1(CCCCCC1)C 7a_100000708895_100009814007 [0,1,0,1,0,0|1,0,0]=3 20833 B15R1.31162 CC(=O)OCCOC1(CCCNCC1)C 34a_100000723723_100009814007 [0,1,0,1,0,0|2,0,0]=4 20834 B15R1.31162 CC1(CCCCCC1)NCCOC(=O)N 34a_100000704638_200011214921 [0,1,0,1,0,0|2,0,0]=4 20835 B15R1.31162 CC1(CCCCCC1)OCCOC(=O)N 34a_100000708895_200011214921 [0,1,0,1,0,0|2,0,0]=4 20836 B15R1.31162 CC1(CCCCCC1)OCCOC(=O)N 7a_100000708895_200011214921 [0,1,0,1,0,0|2,0,0]=4 20837 B15R2.31 O=C1CC(CCN1)NC2CCCCC2 34a_100016994916_100000210327 [0,0,0,2,0,0|2,0,0]=4 20838 B15R2.31 O=C1CCCC(C1)OC2CCCCC2 34a_100012613340_100000210327 [0,0,0,2,0,0|2,0,0]=4 20839 B15R2.31 O=C1CN(CCN1)CC2CCCCC2 2230a_100000184651_100000211423 [0,0,0,2,0,0|2,0,0]=4 20840 B15R2.31 O=C1CN(CCO1)CC2CCCCC2 2230a_100000131268_100000211423 [0,0,0,2,0,0|1,0,0]=3 20841 B15R2.31 O=C1CN(CCO1)CC2CCCCO2 2230a_100000131268_100000211543 [0,0,0,2,0,0|2,0,0]=4 20842 B15R2.31 O=C1CN(CCO1)CC2CCCOC2 2230a_100000131268_100000741521 [0,0,0,2,0,0|2,0,0]=4 20843 B15R2.31 O=C1CN(CCO1)CC2CCOCC2 2230a_100000131268_100000754603 [0,0,0,2,0,0|2,0,0]=4 20844 B15R2.31 O=C1CN(CCO1)CC2CCSCC2 270004a_100000131268_100000067145 [0,0,0,2,0,0|2,0,0]=4 20845 B15R2.31 O=C1C[C@@H](CCN1)OC2CCCCC2 34a_100015189427_100000210327 [0,0,0,2,0,0|2,0,0]=4 20846 B15R2.332 CC1CCCCC1N2CCNC(=O)C2 270004a_100000184651_100000210921 [0,0,0,2,0,0|2,0,0]=4 20847 B15R2.332 CC1CCCCC1N2CCOC(=O)C2 270004a_100000131268_100000210921 [0,0,0,2,0,0|1,0,0]=3 20848 B15R2.332 CC1CNCCC1N2CCOC(=O)C2 270004a_100000131268_100000703950 [0,0,0,2,0,0|2,0,0]=4 20849 B15R2.332 CC1COCCC1N2CCOC(=O)C2 270004a_100000131268_100000755695 [0,0,0,2,0,0|2,0,0]=4 20850 B15R2.335 CC1CCCC1NC2CCNC(=O)C2 269862a_100016994916_100000752053 [0,0,0,2,0,0|2,0,0]=4 20851 B15R2.1117 O=C1CC(CCN1)COC2CCCC2 34a_100009886756_100000179811 [0,0,0,2,0,0|2,0,0]=4 20852 B15R2.1117 O=C1CC(CCN1)NCC2CCCC2 2230a_100016994916_100000740388 [0,0,0,2,0,0|2,0,0]=4 20853 B15R2.1117 O=C1CC(CCN1)NCC2CCCC2 269862a_100016994916_100000746403 [0,0,0,2,0,0|2,0,0]=4 20854 B15R2.1117 O=C1CC(CCN1)NCC2CCCC2 34a_100016994916_100000740388 [0,0,0,2,0,0|2,0,0]=4 20855 B15R2.1117 O=C1CCCC(C1)OCC2CCCC2 34a_100012613340_100000740388 [0,0,0,2,0,0|2,0,0]=4 20856 B15R2.1117 O=C1CN(CCN1)CCC2CCCC2 2230a_100000184651_100000760354 [0,0,0,2,0,0|2,0,0]=4 20857 B15R2.1117 O=C1CN(CCO1)CCC2CCCC2 2230a_100000131268_100000760354 [0,0,0,2,0,0|1,0,0]=3 20858 B15R2.1117 O=C1C[C@@H](CCN1)OCC2CCCC2 34a_100015189427_100000740388 [0,0,0,2,0,0|2,0,0]=4 20859 B15R2.2188 CCC1CCCC1N2CCNC(=O)C2 270004a_100000184651_100000749056 [0,0,0,2,0,0|2,0,0]=4 20860 B15R2.2188 CCC1CCCC1N2CCOC(=O)C2 270004a_100000131268_100000749056 [0,0,0,2,0,0|1,0,0]=3 20861 B15R2.7124 O=C1CN(CCN1)C2CCCCCC2 270004a_100000184651_100000210131 [0,0,0,2,0,0|2,0,0]=4 20862 B15R2.7124 O=C1CN(CCO1)C2CCCCCC2 270004a_100000131268_100000210131 [0,0,0,2,0,0|1,0,0]=3 20863 B15R2.7124 O=C1CN(CCO1)C2CCCNCC2 270004a_100000131268_100015187895 [0,0,0,2,0,0|2,0,0]=4 20864 B15R2.7133 O=C1CC(CCN1)COCCC2CC2 34a_100009886756_100000694398 [0,0,0,2,0,0|2,0,0]=4 20865 B15R2.7146 O=C1CC(CCN1)COCC2CCC2 34a_100009886756_100000763275 [0,0,0,2,0,0|2,0,0]=4 20866 B15R2.1668 CC(C)OC1CCC2CCCCC2C1 34a_100000211317_100000210206 [0,0,0,2,0,0|1,0,1]=4 20867 B15R2.1668 CC(C)OC1CCC2CCCCC2C1 7a_100000211317_100000210206 [0,0,0,2,0,0|1,0,1]=4 20868 B15R2.1921 CCC1CCCCN1CC2CC(=O)C2 2230a_100000210034_100009874392 [0,0,0,2,0,0|2,0,0]=4 20869 B15R2.1921 CCC1CCCCN1CC2CC(=O)C2 269982a_100000210034_100009874392 [0,0,0,2,0,0|2,0,0]=4 20870 B15R2.2189 CCC1CCCCN1C2COC(=O)O2 34a_100000210034_100000032252 [0,0,0,2,0,0|2,0,0]=4 20871 B15R2.16256 CC(=O)CCCN1CC2CCC1CC2 269982a_100000750499_100011215641 [0,0,0,2,0,0|2,0,0]=4 20872 B15R2.16256 CC(=O)CCCN1CC2CCC1CC2 34a_100000750499_100000685027 [0,0,0,2,0,0|2,0,0]=4 20873 B15R2.16256 CC(=O)NCCN1CC2CCC1CC2 2230a_100000750499_100000189650 [0,0,0,2,0,0|2,0,0]=4 20874 B15R2.16256 CC(=O)NCCN1CC2CCC1CC2 269982a_100000750499_100000189650 [0,0,0,2,0,0|2,0,0]=4 20875 B15R2.16256 CC(=O)OCCN1CC2CCC1CC2 269982a_100000750499_100009814007 [0,0,0,2,0,0|1,0,0]=3 20876 B15R2.16256 CC(=O)OCCN1CC2CCC1CC2 34a_100000750499_100009814007 [0,0,0,2,0,0|1,0,0]=3 20877 B15R2.16256 NC(=O)OCCN1CC2CCC1CC2 269982a_100000750499_200011214921 [0,0,0,2,0,0|2,0,0]=4 20878 B15R2.16256 NC(=O)OCCN1CC2CCC1CC2 34a_100000750499_200011214921 [0,0,0,2,0,0|2,0,0]=4 20879 B15R2.19770 CC(=O)OCCN1C2CCC1COC2 269982a_100015205251_100009814007 [0,0,0,2,0,0|2,0,0]=4 20880 B15R2.19770 CC(=O)OCCN1C2CCC1COC2 34a_100015205251_100009814007 [0,0,0,2,0,0|2,0,0]=4 20881 B15R2.119 CCC1CCCC1NC2CNC(=O)C2 269862a_100000697751_100000749056 [0,0,0,2,0,0|2,0,0]=4 20882 B15R2.119 CCC1CCCN1CC2COC(=O)O2 269982a_100000754278_100000073702 [0,0,0,2,0,0|2,0,0]=4 20883 B15R2.119 CCC1CCCN1CC2COC(=O)O2 34a_100000754278_100000073702 [0,0,0,2,0,0|2,0,0]=4 20884 B15R2.119 CCC1CCCN1C[C@H]2COC(=O)N2 2230a_100000754278_100015307671 [0,0,0,2,0,0|2,0,0]=4 20885 B15R2.119 CCC1CCCN1C[C@H]2COC(=O)N2 269982a_100000754278_100015307671 [0,0,0,2,0,0|2,0,0]=4 20886 B15R2.119 CCC1CCCN1C[C@H]2COC(=O)N2 34a_100000754278_100015307671 [0,0,0,2,0,0|2,0,0]=4 20887 B15R2.7688 CC(=O)OCN1CCN2CCC[C@@H]2C1 269982a_100000008389_100000076356 [0,0,0,2,0,0|2,0,0]=4 20888 B15R2.7688 CC(=O)OCN1CCN2CCC[C@@H]2C1 34a_100000008389_100009813279 [0,0,0,2,0,0|2,0,0]=4 20889 B15R2.16181 CC(=O)CCCCN1C2CCC1CC2 269982a_100000735658_100000735457 [0,0,0,2,0,0|2,0,0]=4 20890 B15R2.16181 CC(=O)CCCCN1C2CCC1CC2 34a_100000735658_100009817362 [0,0,0,2,0,0|2,0,0]=4 20891 B15R2.16181 CC(=O)CCCOC1C2CCC1CC2 34a_100000759063_100009813300 [0,0,0,2,0,0|2,0,0]=4 20892 B15R2.16181 CC(=O)CCCSC1C2CCC1CC2 62a_100009813300_100011215641 [0,0,0,2,0,0|2,0,0]=4 20893 B15R2.16181 CC(=O)CCCSC1C2CCC1CC2 62a_100011215641_100009813300 [0,0,0,2,0,0|2,0,0]=4 20894 B15R2.16181 CC(=O)NCCOC1C2CCC1CC2 34a_100000158858_100009813300 [0,0,0,2,0,0|2,0,0]=4 20895 B15R2.16181 CC(=O)NCCSC1C2CCC1CC2 62a_100000189650_100009813300 [0,0,0,2,0,0|2,0,0]=4 20896 B15R2.16181 CC(=O)NCCSC1C2CCC1CC2 62a_100009813300_100000189650 [0,0,0,2,0,0|2,0,0]=4 20897 B15R2.16181 CC(=O)OCCCN1C2CCC1CC2 269982a_100000735658_100000042594 [0,0,0,2,0,0|1,0,0]=3 20898 B15R2.16181 CC(=O)OCCCN1C2CCC1CC2 34a_100000735658_100000042594 [0,0,0,2,0,0|1,0,0]=3 20899 B15R2.16181 CC(=O)OCCSC1C2CCC1CC2 62a_100009813300_100009814007 [0,0,0,2,0,0|1,0,0]=3 20900 B15R2.16181 CC(=O)OCCSC1C2CCC1CC2 62a_100009814007_100009813300 [0,0,0,2,0,0|1,0,0]=3 20901 B15R2.16181 CC(=O)SCCCN1C2CCC1CC2 2230a_100000735658_100000038929 [0,0,0,2,0,0|1,1,0]=4 20902 B15R2.16181 CC(=O)SCCCN1C2CCC1CC2 269982a_100000735658_100000038929 [0,0,0,2,0,0|1,1,0]=4 20903 B15R2.16181 CC(=O)SCCCN1C2CCC1CC2 34a_100000735658_100000038929 [0,0,0,2,0,0|1,1,0]=4 20904 B15R2.16181 CC(=S)OCCCN1C2CCC1CC2 2230a_100000735658_200135323944 [0,0,0,2,0,0|1,1,0]=4 20905 B15R2.16181 CC(=S)OCCCN1C2CCC1CC2 269982a_100000735658_200135323944 [0,0,0,2,0,0|1,1,0]=4 20906 B15R2.16181 CC(=S)OCCCN1C2CCC1CC2 34a_100000735658_200135323944 [0,0,0,2,0,0|1,1,0]=4 20907 B15R2.16181 NC(=O)OCCSC1C2CCC1CC2 62a_100009813300_200011214921 [0,0,0,2,0,0|2,0,0]=4 20908 B15R2.16181 NC(=O)OCCSC1C2CCC1CC2 62a_200011214921_100009813300 [0,0,0,2,0,0|2,0,0]=4 20909 B15R2.16214 CC(=O)CCCCN1CCCC12CC2 269982a_100020620911_100000735457 [0,0,0,2,0,0|2,0,0]=4 20910 B15R2.16214 CC(=O)CCCCN1CCCC12CC2 34a_100020620911_100009817362 [0,0,0,2,0,0|2,0,0]=4 20911 B15R2.16214 CC(=O)NCCNC1CCCC12CC2 269862a_100000209853_100009881796 [0,0,0,2,0,0|2,0,0]=4 20912 B15R2.16214 CC(=O)OCCCN1CCCC12CC2 269982a_100020620911_100000042594 [0,0,0,2,0,0|1,0,0]=3 20913 B15R2.16214 CC(=O)OCCCN1CCCC12CC2 34a_100020620911_100000042594 [0,0,0,2,0,0|1,0,0]=3 20914 B15R2.16214 CC(=O)SCCCN1CCCC12CC2 2230a_100020620911_100000038929 [0,0,0,2,0,0|1,1,0]=4 20915 B15R2.16214 CC(=O)SCCCN1CCCC12CC2 269982a_100020620911_100000038929 [0,0,0,2,0,0|1,1,0]=4 20916 B15R2.16214 CC(=O)SCCCN1CCCC12CC2 34a_100020620911_100000038929 [0,0,0,2,0,0|1,1,0]=4 20917 B15R2.16214 CC(=O)SCCNC1CCCC12CC2 269862a_100020647217_100009881796 [0,0,0,2,0,0|1,1,0]=4 20918 B15R2.16214 CC(=S)OCCCN1CCCC12CC2 2230a_100020620911_200135323944 [0,0,0,2,0,0|1,1,0]=4 20919 B15R2.16214 CC(=S)OCCCN1CCCC12CC2 269982a_100020620911_200135323944 [0,0,0,2,0,0|1,1,0]=4 20920 B15R2.16214 CC(=S)OCCCN1CCCC12CC2 34a_100020620911_200135323944 [0,0,0,2,0,0|1,1,0]=4 20921 B15R2.19801 CC(=O)CCCCN1CC2CCC1C2 269982a_100000743476_100000735457 [0,0,0,2,0,0|2,0,0]=4 20922 B15R2.19801 CC(=O)CCCCN1CC2CCC1C2 34a_100000743476_100009817362 [0,0,0,2,0,0|2,0,0]=4 20923 B15R2.19801 CC(=O)CCCNC1CC2CCC1C2 34a_100000758229_100000685027 [0,0,0,2,0,0|2,0,0]=4 20924 B15R2.19801 CC(=O)CCCOC1CC2CCC1C2 34a_100000211339_100000685027 [0,0,0,2,0,0|2,0,0]=4 20925 B15R2.19801 CC(=O)CCCOC1CC2CCC1C2 34a_100000759063_100000727232 [0,0,0,2,0,0|2,0,0]=4 20926 B15R2.19801 CC(=O)CCCSC1CC2CCC1C2 62a_100000727232_100011215641 [0,0,0,2,0,0|2,0,0]=4 20927 B15R2.19801 CC(=O)CCCSC1CC2CCC1C2 62a_100011215641_100000727232 [0,0,0,2,0,0|2,0,0]=4 20928 B15R2.19801 CC(=O)NCCNC1CC2CCC1C2 2230a_100000758229_100000189650 [0,0,0,2,0,0|2,0,0]=4 20929 B15R2.19801 CC(=O)NCCNC1CC2CCC1C2 269862a_100000209853_100000223372 [0,0,0,2,0,0|2,0,0]=4 20930 B15R2.19801 CC(=O)NCCOC1CC2CCC1C2 34a_100000158858_100000727232 [0,0,0,2,0,0|2,0,0]=4 20931 B15R2.19801 CC(=O)NCCSC1CC2CCC1C2 62a_100000189650_100000727232 [0,0,0,2,0,0|2,0,0]=4 20932 B15R2.19801 CC(=O)NCCSC1CC2CCC1C2 62a_100000727232_100000189650 [0,0,0,2,0,0|2,0,0]=4 20933 B15R2.19801 CC(=O)OCCCN1CC2CCC1C2 269982a_100000743476_100000042594 [0,0,0,2,0,0|1,0,0]=3 20934 B15R2.19801 CC(=O)OCCCN1CC2CCC1C2 34a_100000743476_100000042594 [0,0,0,2,0,0|1,0,0]=3 20935 B15R2.19801 CC(=O)OCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000042594 [0,0,0,2,0,0|2,0,0]=4 20936 B15R2.19801 CC(=O)OCCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000042594 [0,0,0,2,0,0|2,0,0]=4 20937 B15R2.19801 CC(=O)OCCNC1CC2CCC1C2 34a_100000758229_100009814007 [0,0,0,2,0,0|1,0,0]=3 20938 B15R2.19801 CC(=O)OCCOC1CC2CCC1C2 34a_100000211339_100009814007 [0,0,0,2,0,0|1,0,0]=3 20939 B15R2.19801 CC(=O)OCCSC1CC2CCC1C2 62a_100000727232_100009814007 [0,0,0,2,0,0|1,0,0]=3 20940 B15R2.19801 CC(=O)OCCSC1CC2CCC1C2 62a_100009814007_100000727232 [0,0,0,2,0,0|1,0,0]=3 20941 B15R2.19801 CC(=O)OCOCC1CC2CCC1C2 34a_100000229996_100009813279 [0,0,0,2,0,0|1,0,0]=3 20942 B15R2.19801 CC(=O)SCCCN1CC2CCC1C2 2230a_100000743476_100000038929 [0,0,0,2,0,0|1,1,0]=4 20943 B15R2.19801 CC(=O)SCCCN1CC2CCC1C2 269982a_100000743476_100000038929 [0,0,0,2,0,0|1,1,0]=4 20944 B15R2.19801 CC(=O)SCCCN1CC2CCC1C2 34a_100000743476_100000038929 [0,0,0,2,0,0|1,1,0]=4 20945 B15R2.19801 CC(=O)SCCNC1CC2CCC1C2 269862a_100020647217_100000223372 [0,0,0,2,0,0|1,1,0]=4 20946 B15R2.19801 CC(=S)OCCCN1CC2CCC1C2 2230a_100000743476_200135323944 [0,0,0,2,0,0|1,1,0]=4 20947 B15R2.19801 CC(=S)OCCCN1CC2CCC1C2 269982a_100000743476_200135323944 [0,0,0,2,0,0|1,1,0]=4 20948 B15R2.19801 CC(=S)OCCCN1CC2CCC1C2 34a_100000743476_200135323944 [0,0,0,2,0,0|1,1,0]=4 20949 B15R2.19801 NC(=O)OCCNC1CC2CCC1C2 34a_100000758229_200011214921 [0,0,0,2,0,0|2,0,0]=4 20950 B15R2.19801 NC(=O)OCCOC1CC2CCC1C2 34a_100000211339_200011214921 [0,0,0,2,0,0|2,0,0]=4 20951 B15R2.19801 NC(=O)OCCSC1CC2CCC1C2 62a_100000727232_200011214921 [0,0,0,2,0,0|2,0,0]=4 20952 B15R2.19801 NC(=O)OCCSC1CC2CCC1C2 62a_200011214921_100000727232 [0,0,0,2,0,0|2,0,0]=4 20953 B15R2.20433 CCN1C[C@H]2C[C@@H]1CN2COC(=O)C 269982a_200016994038_100000076356 [0,0,0,2,0,0|2,0,0]=4 20954 B15R2.283 O=C1CC(CN1)CNC2CCCCC2 34a_100016993742_100000210327 [0,0,0,2,0,0|2,0,0]=4 20955 B15R2.283 O=C1CC(CN1)COC2CCCCC2 34a_100016041077_100000210327 [0,0,0,2,0,0|2,0,0]=4 20956 B15R2.283 O=C1CC(CN1)NCC2CCCCC2 2230a_100000697751_100000211423 [0,0,0,2,0,0|2,0,0]=4 20957 B15R2.283 O=C1CC(CN1)NCC2CCCCC2 269862a_100000697751_100000211278 [0,0,0,2,0,0|2,0,0]=4 20958 B15R2.283 O=C1CC(CN1)OCC2CCCCC2 34a_100000690082_100000211423 [0,0,0,2,0,0|2,0,0]=4 20959 B15R2.283 O=C1CCC(C1)OCC2CCCCC2 34a_100012614533_100000211423 [0,0,0,2,0,0|2,0,0]=4 20960 B15R2.283 O=C1CN(CN1)CCC2CCCCC2 2230a_200000708111_100012355289 [0,0,0,2,0,0|2,0,0]=4 20961 B15R2.283 O=C1N[C@H](CO1)CNC2CCCCC2 2230a_100000182618_100015307671 [0,0,0,2,0,0|2,0,0]=4 20962 B15R2.283 O=C1N[C@H](CO1)CNC2CCCCC2 34a_100000182618_100015307671 [0,0,0,2,0,0|2,0,0]=4 20963 B15R2.283 O=C1N[C@H](CO1)COC2CCCCC2 34a_100000210231_100015307671 [0,0,0,2,0,0|2,0,0]=4 20964 B15R2.283 O=C1N[C@H](CO1)COC2CCCCC2 7a_100000210231_100015307671 [0,0,0,2,0,0|2,0,0]=4 20965 B15R2.283 O=C1N[C@H](CO1)CSC2CCCCC2 62a_100000210327_100015307671 [0,0,0,2,0,0|2,0,0]=4 20966 B15R2.283 O=C1N[C@H](CO1)CSC2CCCCC2 62a_100015307671_100000210327 [0,0,0,2,0,0|2,0,0]=4 20967 B15R2.283 O=C1OCC(O1)CNC2CCCCC2 34a_100000182618_100000073702 [0,0,0,2,0,0|2,0,0]=4 20968 B15R2.283 O=C1OCC(O1)COC2CCCCC2 34a_100000210231_100000073702 [0,0,0,2,0,0|2,0,0]=4 20969 B15R2.283 O=C1OCC(O1)CSC2CCCCC2 62a_100000073702_100000210327 [0,0,0,2,0,0|2,0,0]=4 20970 B15R2.283 O=C1OCC(O1)CSC2CCCCC2 62a_100000210327_100000073702 [0,0,0,2,0,0|2,0,0]=4 20971 B15R2.283 O=C1OCC(O1)NCC2CCCCC2 34a_100000210473_100000032252 [0,0,0,2,0,0|2,0,0]=4 20972 B15R2.283 O=C1OCC(O1)OCC2CCCCC2 34a_100000212181_100000032252 [0,0,0,2,0,0|2,0,0]=4 20973 B15R2.283 O=C1OCC(O1)SCC2CCCCC2 62a_100000211423_100000032252 [0,0,0,2,0,0|2,0,0]=4 20974 B15R2.286 O=C1CC(CN1)CNCC2CCCC2 2230a_100016993742_100000740388 [0,0,0,2,0,0|2,0,0]=4 20975 B15R2.286 O=C1CC(CN1)CNCC2CCCC2 269862a_100016993742_100000746403 [0,0,0,2,0,0|2,0,0]=4 20976 B15R2.286 O=C1CC(CN1)CNCC2CCCC2 34a_100016993742_100000740388 [0,0,0,2,0,0|2,0,0]=4 20977 B15R2.286 O=C1CC(CN1)COCC2CCCC2 34a_100016041077_100000740388 [0,0,0,2,0,0|2,0,0]=4 20978 B15R2.286 O=C1CC(CN1)NCCC2CCCC2 2230a_100000697751_100000760354 [0,0,0,2,0,0|2,0,0]=4 20979 B15R2.286 O=C1CC(CN1)OCCC2CCCC2 34a_100000690082_100000760354 [0,0,0,2,0,0|2,0,0]=4 20980 B15R2.286 O=C1CCC(C1)OCCC2CCCC2 34a_100012614533_100000760354 [0,0,0,2,0,0|2,0,0]=4 20981 B15R2.286 O=C1CN(CN1)CCCC2CCCC2 2230a_200000708111_100011713738 [0,0,0,2,0,0|2,0,0]=4 20982 B15R2.286 O=C1N[C@H](CO1)CNCC2CCCC2 2230a_100000737975_100015307671 [0,0,0,2,0,0|2,0,0]=4 20983 B15R2.286 O=C1N[C@H](CO1)CNCC2CCCC2 34a_100000737975_100015307671 [0,0,0,2,0,0|2,0,0]=4 20984 B15R2.286 O=C1N[C@H](CO1)COCC2CCCC2 34a_100000742336_100015307671 [0,0,0,2,0,0|2,0,0]=4 20985 B15R2.286 O=C1N[C@H](CO1)COCC2CCCC2 7a_100000742336_100015307671 [0,0,0,2,0,0|2,0,0]=4 20986 B15R2.286 O=C1N[C@H](CO1)CSCC2CCCC2 62a_100000740388_100015307671 [0,0,0,2,0,0|2,0,0]=4 20987 B15R2.286 O=C1N[C@H](CO1)CSCC2CCCC2 62a_100015307671_100000740388 [0,0,0,2,0,0|2,0,0]=4 20988 B15R2.286 O=C1OCC(O1)CNCC2CCCC2 34a_100000737975_100000073702 [0,0,0,2,0,0|2,0,0]=4 20989 B15R2.286 O=C1OCC(O1)COCC2CCCC2 34a_100000742336_100000073702 [0,0,0,2,0,0|2,0,0]=4 20990 B15R2.286 O=C1OCC(O1)CSCC2CCCC2 62a_100000073702_100000740388 [0,0,0,2,0,0|2,0,0]=4 20991 B15R2.286 O=C1OCC(O1)CSCC2CCCC2 62a_100000740388_100000073702 [0,0,0,2,0,0|2,0,0]=4 20992 B15R2.286 O=C1OCC(O1)NCCC2CCCC2 34a_100000739158_100000032252 [0,0,0,2,0,0|2,0,0]=4 20993 B15R2.286 O=C1OCC(O1)OCCC2CCCC2 34a_100000749090_100000032252 [0,0,0,2,0,0|2,0,0]=4 20994 B15R2.286 O=C1OCC(O1)SCCC2CCCC2 62a_100000760354_100000032252 [0,0,0,2,0,0|2,0,0]=4 20995 B15R2.287 CC1CCCC1NCC2CNC(=O)C2 269862a_100016993742_100000752053 [0,0,0,2,0,0|2,0,0]=4 20996 B15R2.287 CC1CCCC1OCC2COC(=O)O2 34a_100011216460_100000073702 [0,0,0,2,0,0|2,0,0]=4 20997 B15R2.287 CC1CCCC1OC[C@H]2COC(=O)N2 34a_100011216460_100015307671 [0,0,0,2,0,0|2,0,0]=4 20998 B15R2.287 CC1CCCC1OC[C@H]2COC(=O)N2 7a_100011216460_100015307671 [0,0,0,2,0,0|2,0,0]=4 20999 B15R2.305 CC1CCCCC1NC2CNC(=O)C2 269862a_100000697751_100000210921 [0,0,0,2,0,0|2,0,0]=4 21000 B15R2.305 CC1CCCCC1NC2COC(=O)O2 34a_100000211402_100000032252 [0,0,0,2,0,0|2,0,0]=4 21001 B15R2.305 CC1CCCCC1OC2COC(=O)O2 34a_100000211207_100000032252 [0,0,0,2,0,0|2,0,0]=4 21002 B15R2.305 CC1CCCCN1CC2COC(=O)O2 269982a_100000211376_100000073702 [0,0,0,2,0,0|2,0,0]=4 21003 B15R2.305 CC1CCCCN1CC2COC(=O)O2 34a_100000211376_100000073702 [0,0,0,2,0,0|2,0,0]=4 21004 B15R2.305 CC1CCCCN1C[C@H]2COC(=O)N2 2230a_100000211376_100015307671 [0,0,0,2,0,0|2,0,0]=4 21005 B15R2.305 CC1CCCCN1C[C@H]2COC(=O)N2 269982a_100000211376_100015307671 [0,0,0,2,0,0|2,0,0]=4 21006 B15R2.305 CC1CCCCN1C[C@H]2COC(=O)N2 34a_100000211376_100015307671 [0,0,0,2,0,0|2,0,0]=4 21007 B15R2.6887 O=C1OCC(O1)N2CCCCCCC2 34a_100000211400_100000032252 [0,0,0,2,0,0|2,0,0]=4 21008 B15R2.6962 O=C1CC(CN1)OC2CCCCCC2 34a_100000690082_100011217769 [0,0,0,2,0,0|2,0,0]=4 21009 B15R2.6962 O=C1CCC(C1)OC2CCCCCC2 34a_100012614533_100011217769 [0,0,0,2,0,0|2,0,0]=4 21010 B15R2.6962 O=C1CN(CN1)CC2CCCCCC2 2230a_200000708111_200000696569 [0,0,0,2,0,0|2,0,0]=4 21011 B15R2.6962 O=C1N[C@H](CO1)CN2CCCCCC2 2230a_100000185865_100015307671 [0,0,0,2,0,0|2,0,0]=4 21012 B15R2.6962 O=C1N[C@H](CO1)CN2CCCCCC2 269982a_100000185865_100015307671 [0,0,0,2,0,0|2,0,0]=4 21013 B15R2.6962 O=C1N[C@H](CO1)CN2CCCCCC2 34a_100000185865_100015307671 [0,0,0,2,0,0|2,0,0]=4 21014 B15R2.6962 O=C1OCC(O1)CN2CCCCCC2 269982a_100000185865_100000073702 [0,0,0,2,0,0|2,0,0]=4 21015 B15R2.6962 O=C1OCC(O1)CN2CCCCCC2 34a_100000185865_100000073702 [0,0,0,2,0,0|2,0,0]=4 21016 B15R2.6962 O=C1OCC(O1)NC2CCCCCC2 34a_100000210984_100000032252 [0,0,0,2,0,0|2,0,0]=4 21017 B15R2.6962 O=C1OCC(O1)OC2CCCCCC2 34a_100000210887_100000032252 [0,0,0,2,0,0|2,0,0]=4 21018 B15R2.6962 O=C1OCC(O1)SC2CCCCCC2 62a_100011217769_100000032252 [0,0,0,2,0,0|2,0,0]=4 21019 B15R2.1660 CC(=O)CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000053229 [0,0,0,2,0,0|2,0,0]=4 21020 B15R2.1660 CC(=O)OCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000076356 [0,0,0,2,0,0|1,0,0]=3 21021 B15R2.1660 CC(=O)OCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100009813279 [0,0,0,2,0,0|1,0,0]=3 21022 B15R2.8833 CC1CCCCC1NCC2CC(=O)C2 2230a_100000211402_100009874392 [0,0,0,2,0,0|2,0,0]=4 21023 B15R2.8833 CC1CCCCC1OCC2CC(=O)C2 7a_100000211207_100009874392 [0,0,0,2,0,0|2,0,0]=4 21024 B15R2.68399 CC(=O)NCCNC1CCCC2C1C2 269862a_100000209853_100000697651 [0,0,0,2,0,0|2,0,0]=4 21025 B15R2.68399 CC(=O)SCCNC1CCCC2C1C2 269862a_100020647217_100000697651 [0,0,0,2,0,0|1,1,0]=4 21026 B15R2.1238 CC(=O)CCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100011215641 [0,0,0,2,0,0|2,0,0]=4 21027 B15R2.1238 CC(=O)CCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000685027 [0,0,0,2,0,0|2,0,0]=4 21028 B15R2.1238 CC(=O)NCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000189650 [0,0,0,2,0,0|2,0,0]=4 21029 B15R2.1238 CC(=O)NCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000189650 [0,0,0,2,0,0|2,0,0]=4 21030 B15R2.1238 CC(=O)OCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100009814007 [0,0,0,2,0,0|1,0,0]=3 21031 B15R2.1238 CC(=O)OCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100009814007 [0,0,0,2,0,0|1,0,0]=3 21032 B15R2.1238 CC(=O)OCCN1C[C@H]2COC[C@H]2C1 269982a_100000700037_100009814007 [0,0,0,2,0,0|2,0,0]=4 21033 B15R2.1238 CC(=O)OCCN1C[C@H]2COC[C@H]2C1 34a_100000700037_100009814007 [0,0,0,2,0,0|2,0,0]=4 21034 B15R2.1238 NC(=O)OCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200011214921 [0,0,0,2,0,0|2,0,0]=4 21035 B15R2.1238 NC(=O)OCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_200011214921 [0,0,0,2,0,0|2,0,0]=4 21036 B15R2.13257 CC(=O)OCCN1C[C@@H]2C[C@H]1CN2C 269982a_100025763010_100009814007 [0,0,0,2,0,0|2,0,0]=4 21037 B15R2.68602 CC(=O)CCCCOC1CCC2C1C2 34a_200012295571_100009817362 [0,0,0,2,0,0|2,0,0]=4 21038 B15R2.68602 CC(=O)NCCCNC1CCC2C1C2 269862a_100000736810_100000692480 [0,0,0,2,0,0|2,0,0]=4 21039 B15R2.68602 CC(=O)NCCCNC1CCC2C1C2 270004a_100000736810_100000692480 [0,0,0,2,0,0|2,0,0]=4 21040 B15R2.68602 CC(=O)OCCCOC1CCC2C1C2 34a_200012295571_100000042594 [0,0,0,2,0,0|1,0,0]=3 21041 B15R2.68602 CC(=O)SCCCOC1CCC2C1C2 34a_200012295571_100000038929 [0,0,0,2,0,0|1,1,0]=4 21042 B15R2.68602 CC(=S)OCCCOC1CCC2C1C2 34a_200012295571_200135323944 [0,0,0,2,0,0|1,1,0]=4 21043 B15R2.4226 C1CCC(CC1)CCCCOC2CC2 34a_100011215267_100000211595 [0,0,0,2,0,0|1,0,1]=4 21044 B15R2.63 CC(=O)N1CCCC1C2CCCCC2 11a_100011206067_100015343762 [0,0,0,2,0,0|1,0,0]=3 21045 B15R2.63 CC(=O)N1CCCC1C2CCCCC2 1626a_100011206067_100015343762 [0,0,0,2,0,0|1,0,0]=3 21046 B15R2.63 CC(=O)N1CCCC1C2CCCCC2 240690a_100011206067_100015343762 [0,0,0,2,0,0|1,0,0]=3 21047 B15R2.63 CC(=O)N1CCCC1C2CCCCC2 527a_100011206067_100103153847 [0,0,0,2,0,0|1,0,0]=3 21048 B15R2.1243 CC(=O)N1CCCC1CN2CCCC2 11a_100000746075_100015343762 [0,0,0,2,0,0|2,0,0]=4 21049 B15R2.1243 CC(=O)N1CCCC1CN2CCCC2 240690a_100000746075_100015343762 [0,0,0,2,0,0|2,0,0]=4 21050 B15R2.1243 CC(=O)N1CCCC1CN2CCCC2 527a_100000746075_100103153847 [0,0,0,2,0,0|2,0,0]=4 21051 B15R2.16392 CC(=O)N1CCC[C@@H]1COCC2CC2 34a_100012242843_100000742324 [0,0,0,2,0,0|2,0,0]=4 21052 B15R2.16392 CC(=O)N1CCC[C@@H]1COCC2CC2 7a_100012242843_100000742324 [0,0,0,2,0,0|2,0,0]=4 21053 B15R2.16401 CC(=O)N1CCC[C@@H]1COC2CCC2 34a_100012242843_100000749161 [0,0,0,2,0,0|2,0,0]=4 21054 B15R2.16228 CC(=O)NCCCNC1CC2CC2C1 270004a_100000736810_100010340937 [0,0,0,2,0,0|2,0,0]=4 21055 B15R2.16228 CC(=O)OCCCCN1CC2CC2C1 269982a_100000741873_100000033659 [0,0,0,2,0,0|1,0,0]=3 21056 B15R2.16228 CC(=O)OCCCCN1CC2CC2C1 34a_100000741873_100000033659 [0,0,0,2,0,0|1,0,0]=3 21057 B15R2.16228 CC(=O)OCCOCN1CC2CC2C1 269982a_100000741873_100000076355 [0,0,0,2,0,0|2,0,0]=4 21058 B15R2.16228 CC(=O)OCCOCN1CC2CC2C1 34a_100000741873_100000076355 [0,0,0,2,0,0|2,0,0]=4 21059 B15R2.16228 CC(=O)SCCCCN1CC2CC2C1 2230a_100000741873_200010402107 [0,0,0,2,0,0|1,1,0]=4 21060 B15R2.16228 CC(=O)SCCCCN1CC2CC2C1 269982a_100000741873_200010402107 [0,0,0,2,0,0|1,1,0]=4 21061 B15R2.16228 CC(=O)SCCCCN1CC2CC2C1 34a_100000741873_200010402107 [0,0,0,2,0,0|1,1,0]=4 21062 B15R2.68401 CC(=O)OCCCN1CCC12COC2 269982a_100015204706_100000042594 [0,0,0,2,0,0|2,0,0]=4 21063 B15R2.67957 CC(=O)OCCCNC1C2C1COC2 34a_100000702821_100000042594 [0,0,0,2,0,0|2,0,0]=4 21064 B15R2.67957 CC(=O)OCCOCC1C2C1CNC2 34a_100000045132_100009814007 [0,0,0,2,0,0|2,0,0]=4 21065 B15R2.543 O=C1CN(CCCN1)C2CCCCC2 270004a_100015190381_100000210434 [0,0,0,2,0,0|2,0,0]=4 21066 B15R2.617 O=C1CC(C1)CNCC2CCCCC2 2230a_100000210473_100009874392 [0,0,0,2,0,0|2,0,0]=4 21067 B15R2.617 O=C1CC(C1)COCC2CCCCC2 34a_100000101936_100000211423 [0,0,0,2,0,0|2,0,0]=4 21068 B15R2.617 O=C1CC(C1)COCC2CCCCC2 7a_100000212181_100009874392 [0,0,0,2,0,0|2,0,0]=4 21069 B15R2.617 O=C1CC(C1)CSCC2CCCCC2 62a_100000211423_100009874392 [0,0,0,2,0,0|2,0,0]=4 21070 B15R2.617 O=C1CC(C1)CSCC2CCCCC2 62a_100009874392_100000211423 [0,0,0,2,0,0|2,0,0]=4 21071 B15R2.617 O=C1CC(C1)SCCC2CCCCC2 62a_100009894365_100012355289 [0,0,0,2,0,0|2,0,0]=4 21072 B15R2.16168 CC(=O)OCN1CCN2CCC1CC2 269982a_100000027273_100000076356 [0,0,0,2,0,0|2,0,0]=4 21073 B15R2.68122 CC(C)OC1CCCC2C1CCCC2 34a_100000042559_100000210206 [0,0,0,2,0,0|1,0,1]=4 21074 B15R2.68122 CC(C)OC1CCCC2C1CCCC2 7a_100000042559_100000210206 [0,0,0,2,0,0|1,0,1]=4 21075 B15R2.1087 O=C1CC(C1)CNCCC2CCCC2 2230a_100000739158_100009874392 [0,0,0,2,0,0|2,0,0]=4 21076 B15R2.1087 O=C1CC(C1)COCCC2CCCC2 34a_100000101936_100000760354 [0,0,0,2,0,0|2,0,0]=4 21077 B15R2.1087 O=C1CC(C1)COCCC2CCCC2 7a_100000749090_100009874392 [0,0,0,2,0,0|2,0,0]=4 21078 B15R2.1087 O=C1CC(C1)CSCCC2CCCC2 62a_100000760354_100009874392 [0,0,0,2,0,0|2,0,0]=4 21079 B15R2.1087 O=C1CC(C1)CSCCC2CCCC2 62a_100009874392_100000760354 [0,0,0,2,0,0|2,0,0]=4 21080 B15R2.1087 O=C1CC(C1)SCCCC2CCCC2 62a_100009894365_100011713738 [0,0,0,2,0,0|2,0,0]=4 21081 B15R2.7273 O=C1CN(CCCN1)CC2CCCC2 2230a_100015190381_100000740388 [0,0,0,2,0,0|2,0,0]=4 21082 B15R2.726 CCCC1CCCCN1C2CC(=O)C2 269982a_100000701414_100009894365 [0,0,0,2,0,0|2,0,0]=4 21083 B15R2.19758 CC(=O)CCCN1CCCC1C2CC2 269982a_200000757794_100011215641 [0,0,0,2,0,0|2,0,0]=4 21084 B15R2.19758 CC(=O)CCCN1CCCC1C2CC2 34a_200000757794_100000685027 [0,0,0,2,0,0|2,0,0]=4 21085 B15R2.19758 CC(=O)NCCN1CCCC1C2CC2 2230a_200000757794_100000189650 [0,0,0,2,0,0|2,0,0]=4 21086 B15R2.19758 CC(=O)NCCN1CCCC1C2CC2 269982a_200000757794_100000189650 [0,0,0,2,0,0|2,0,0]=4 21087 B15R2.19758 CC(=O)OCCN1CCCC1C2CC2 269982a_200000757794_100009814007 [0,0,0,2,0,0|1,0,0]=3 21088 B15R2.19758 CC(=O)OCCN1CCCC1C2CC2 34a_200000757794_100009814007 [0,0,0,2,0,0|1,0,0]=3 21089 B15R2.19758 NC(=O)OCCN1CCCC1C2CC2 269982a_200000757794_200011214921 [0,0,0,2,0,0|2,0,0]=4 21090 B15R2.19758 NC(=O)OCCN1CCCC1C2CC2 34a_200000757794_200011214921 [0,0,0,2,0,0|2,0,0]=4 21091 B15R2.82866 CC(=O)NCCC12CCCN1CCC2 1626a_100020630938_100015343762 [0,0,0,2,0,0|2,0,0]=4 21092 B15R2.82866 CC(=O)NCCC12CCCN1CCC2 240690a_100020630938_100015343762 [0,0,0,2,0,0|2,0,0]=4 21093 B15R2.82866 CC(=O)NCCC12CCCN1CCC2 527a_100020630938_100103153847 [0,0,0,2,0,0|2,0,0]=4 21094 B15R2.15210 O=C1CC(C1)CNC2CCCCCC2 2230a_100000210984_100009874392 [0,0,0,2,0,0|2,0,0]=4 21095 B15R2.15210 O=C1CC(C1)COC2CCCCCC2 34a_100000101936_100011217769 [0,0,0,2,0,0|2,0,0]=4 21096 B15R2.15210 O=C1CC(C1)COC2CCCCCC2 7a_100000210887_100009874392 [0,0,0,2,0,0|2,0,0]=4 21097 B15R2.15210 O=C1CC(C1)CSC2CCCCCC2 62a_100009874392_100011217769 [0,0,0,2,0,0|2,0,0]=4 21098 B15R2.15210 O=C1CC(C1)CSC2CCCCCC2 62a_100011217769_100009874392 [0,0,0,2,0,0|2,0,0]=4 21099 B15R2.15210 O=C1CC(C1)SCC2CCCCCC2 62a_100009894365_200000696569 [0,0,0,2,0,0|2,0,0]=4 21100 B15R2.15242 O=C1CC(C1)N2CCCCCCCC2 269982a_100000039187_100009894365 [0,0,0,2,0,0|2,0,0]=4 21101 B15R2.15298 O=C1CC(C1)CN2CCCCCCC2 2230a_100000211400_100009874392 [0,0,0,2,0,0|2,0,0]=4 21102 B15R2.15298 O=C1CC(C1)CN2CCCCCCC2 269982a_100000211400_100009874392 [0,0,0,2,0,0|2,0,0]=4 21103 B15R2.1162 CC(=O)N1C(CCC2C1CCCC2)C 11a_100132302184_100015343762 [0,0,0,2,0,0|1,0,0]=3 21104 B15R2.1162 CC(=O)N1C(CCC2C1CCCC2)C 240690a_100132302184_100015343762 [0,0,0,2,0,0|1,0,0]=3 21105 B15R2.1162 CC(=O)N1C(CCC2C1CCCC2)C 527a_100132302184_100103153847 [0,0,0,2,0,0|1,0,0]=3