0 B13R0.179 C=C(Br)CCOCCCCCC(=O)N 34a_100009813270_100009817443 [0,0,0,0,0,0|4,0,0]=4 1 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000123541_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000764851_100009817443 [0,0,0,0,0,0|4,0,0]=4 3 B13R0.179 C=C(C)CCOCCCCCC(=O)N 7a_100000123541_100000730704 [0,0,0,0,0,0|4,0,0]=4 4 B13R0.179 C=C(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000730704 [0,0,0,0,0,0|3,0,1]=4 5 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100000730704_100009817443 [0,0,0,0,0,0|4,0,0]=4 6 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100009817443_100000730704 [0,0,0,0,0,0|4,0,0]=4 7 B13R0.179 CC(=O)CCCCNCCCC(=O)N 34a_100000739312_100009817362 [0,0,0,0,0,0|3,0,0]=3 8 B13R0.179 CC(=O)CCCCNCCNC(=O)N 34a_100020590234_100009817362 [0,0,0,0,0,0|4,0,0]=4 9 B13R0.179 CC(=O)CCCCOCCCC(=O)C 34a_100000759063_100009817362 [0,0,0,0,0,0|3,0,0]=3 10 B13R0.179 CC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000735457 [0,0,0,0,0,0|3,0,0]=3 11 B13R0.179 CC(=O)CCCCOCCC[N+](=O)[O-] 34a_200000037920_100009817362 [0,0,0,0,0,0|3,0,1]=4 12 B13R0.179 CC(=O)CCCCOCCNC(=O)C 34a_100000158858_100009817362 [0,0,0,0,0,0|4,0,0]=4 13 B13R0.179 CC(=O)CCCCOCCNC(=O)N 34a_100000181757_100009817362 [0,0,0,0,0,0|4,0,0]=4 14 B13R0.179 CC(=O)CCCCOCCOC(=O)N 7a_100000766696_100000735457 [0,0,0,0,0,0|4,0,0]=4 15 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100000735457_100011215641 [0,0,0,0,0,0|3,0,0]=3 16 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000735457 [0,0,0,0,0,0|3,0,0]=3 17 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100000735457_100102525003 [0,0,0,0,0,0|3,0,0]=3 18 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000735457 [0,0,0,0,0,0|3,0,0]=3 19 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [0,0,0,0,0,0|3,0,1]=4 20 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [0,0,0,0,0,0|3,0,1]=4 21 B13R0.179 CC(=O)CCCCSCCNC(=O)C 62a_100000189650_100000735457 [0,0,0,0,0,0|4,0,0]=4 22 B13R0.179 CC(=O)CCCCSCCNC(=O)C 62a_100000735457_100000189650 [0,0,0,0,0,0|4,0,0]=4 23 B13R0.179 CC(=O)CCCCSCCNC(=O)N 62a_100000735457_200000034859 [0,0,0,0,0,0|4,0,0]=4 24 B13R0.179 CC(=O)CCCCSCCNC(=O)N 62a_200000034859_100000735457 [0,0,0,0,0,0|4,0,0]=4 25 B13R0.179 CC(=O)CCCCSCCOC(=O)C 62a_100000735457_100009814007 [0,0,0,0,0,0|4,0,0]=4 26 B13R0.179 CC(=O)CCCCSCCOC(=O)C 62a_100009814007_100000735457 [0,0,0,0,0,0|4,0,0]=4 27 B13R0.179 CC(=O)CCCCSCCOC(=O)N 62a_100000735457_200011214921 [0,0,0,0,0,0|4,0,0]=4 28 B13R0.179 CC(=O)CCCCSCCOC(=O)N 62a_200011214921_100000735457 [0,0,0,0,0,0|4,0,0]=4 29 B13R0.179 CC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000685027 [0,0,0,0,0,0|3,0,0]=3 30 B13R0.179 CC(=O)CCCNCCCNC(=O)C 34a_100000736810_100000685027 [0,0,0,0,0,0|4,0,0]=4 31 B13R0.179 CC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100011215641 [0,0,0,0,0,0|3,0,0]=3 32 B13R0.179 CC(=O)CCCOCCCCB(O)O 34a_100000759063_200009817182 [0,0,0,0,0,0|3,0,1]=4 33 B13R0.179 CC(=O)CCCOCCCCB(O)O 7a_100000759063_200009817182 [0,0,0,0,0,0|3,0,1]=4 34 B13R0.179 CC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000685027 [0,0,0,0,0,0|3,0,0]=3 35 B13R0.179 CC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215641 [0,0,0,0,0,0|3,0,0]=3 36 B13R0.179 CC(=O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000685027 [0,0,0,0,0,0|3,0,1]=4 37 B13R0.179 CC(=O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215641 [0,0,0,0,0,0|3,0,1]=4 38 B13R0.179 CC(=O)CCCOCCCNC(=O)C 34a_100000752032_100000685027 [0,0,0,0,0,0|4,0,0]=4 39 B13R0.179 CC(=O)CCCOCCCOC(=O)C 34a_100000759063_100000042594 [0,0,0,0,0,0|4,0,0]=4 40 B13R0.179 CC(=O)CCCOCCCOC(=O)C 7a_100000759063_100000042594 [0,0,0,0,0,0|4,0,0]=4 41 B13R0.179 CC(=O)CCCOCCCSC(=O)C 34a_100000759063_100000038929 [0,0,0,0,0,0|4,0,0]=4 42 B13R0.179 CC(=O)CCCOCCCSC(=O)C 7a_100000759063_100000038929 [0,0,0,0,0,0|4,0,0]=4 43 B13R0.179 CC(=O)CCCOCCOCC(=O)N 34a_100000759063_100000076697 [0,0,0,0,0,0|4,0,0]=4 44 B13R0.179 CC(=O)CCCOCCOCC(=O)N 7a_100000759063_100000076697 [0,0,0,0,0,0|4,0,0]=4 45 B13R0.179 CC(=O)CCCSCCCCB(O)O 62a_100011215641_200009817182 [0,0,0,0,0,0|3,0,1]=4 46 B13R0.179 CC(=O)CCCSCCCCB(O)O 62a_200009817182_100011215641 [0,0,0,0,0,0|3,0,1]=4 47 B13R0.179 CC(=O)CCCSCCCOC(=O)C 62a_100000042594_100011215641 [0,0,0,0,0,0|4,0,0]=4 48 B13R0.179 CC(=O)CCCSCCCOC(=O)C 62a_100011215641_100000042594 [0,0,0,0,0,0|4,0,0]=4 49 B13R0.179 CC(=O)CCCSCCCSC(=O)C 62a_100000038929_100011215641 [0,0,0,0,0,0|4,0,0]=4 50 B13R0.179 CC(=O)CCCSCCCSC(=O)C 62a_100011215641_100000038929 [0,0,0,0,0,0|4,0,0]=4 51 B13R0.179 CC(=O)CCCSCCOCC(=O)N 62a_100000076697_100011215641 [0,0,0,0,0,0|4,0,0]=4 52 B13R0.179 CC(=O)CCCSCCOCC(=O)N 62a_100011215641_100000076697 [0,0,0,0,0,0|4,0,0]=4 53 B13R0.179 CC(=O)CCOCCCCCB(O)O 34a_100000759926_200009817188 [0,0,0,0,0,0|3,0,1]=4 54 B13R0.179 CC(=O)CCOCCCCCB(O)O 7a_100000759926_200009817188 [0,0,0,0,0,0|3,0,1]=4 55 B13R0.179 CC(=O)CCOCCCCCC(=O)N 34a_100000759926_100009817443 [0,0,0,0,0,0|3,0,0]=3 56 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000053229 [0,0,0,0,0,0|3,0,0]=3 57 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000759926_100009817443 [0,0,0,0,0,0|3,0,0]=3 58 B13R0.179 CC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000053229 [0,0,0,0,0,0|2,0,1]=3 59 B13R0.179 CC(=O)CCOCCCCOC(=O)C 34a_100000759926_100000033659 [0,0,0,0,0,0|4,0,0]=4 60 B13R0.179 CC(=O)CCOCCCCOC(=O)C 7a_100000073216_100000053229 [0,0,0,0,0,0|4,0,0]=4 61 B13R0.179 CC(=O)CCOCCCCOC(=O)C 7a_100000759926_100000033659 [0,0,0,0,0,0|4,0,0]=4 62 B13R0.179 CC(=O)CCOCCCCSC(=O)C 34a_100000759926_200010402107 [0,0,0,0,0,0|4,0,0]=4 63 B13R0.179 CC(=O)CCOCCCCSC(=O)C 7a_100000759926_200010402107 [0,0,0,0,0,0|4,0,0]=4 64 B13R0.179 CC(=O)CCSCCCCCB(O)O 62a_100000053229_200009817188 [0,0,0,0,0,0|3,0,1]=4 65 B13R0.179 CC(=O)CCSCCCCCB(O)O 62a_200009817188_100000053229 [0,0,0,0,0,0|3,0,1]=4 66 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100000053229_100009817443 [0,0,0,0,0,0|3,0,0]=3 67 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000053229 [0,0,0,0,0,0|3,0,0]=3 68 B13R0.179 CC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000053229 [0,0,0,0,0,0|4,0,0]=4 69 B13R0.179 CC(=O)CCSCCCCOC(=O)C 62a_100000053229_100000033659 [0,0,0,0,0,0|4,0,0]=4 70 B13R0.179 CC(=O)CCSCCCCSC(=O)C 62a_100000053229_200010402107 [0,0,0,0,0,0|4,0,0]=4 71 B13R0.179 CC(=O)CCSCCCCSC(=O)C 62a_200010402107_100000053229 [0,0,0,0,0,0|4,0,0]=4 72 B13R0.179 CC(=O)COCCCCCCB(O)O 34a_100000211253_100009817187 [0,0,0,0,0,0|3,0,1]=4 73 B13R0.179 CC(=O)COCCCCCOC(=O)C 34a_100000211253_100000033007 [0,0,0,0,0,0|4,0,0]=4 74 B13R0.179 CC(=O)NCCCCCCNC(=O)C 11a_200011996284_100015343762 [0,0,0,0,0,0|4,0,0]=4 75 B13R0.179 CC(=O)NCCCCCCNC(=O)C 1626a_200011996284_100015343762 [0,0,0,0,0,0|4,0,0]=4 76 B13R0.179 CC(=O)NCCCCCCNC(=O)C 240690a_200011996284_100015343762 [0,0,0,0,0,0|4,0,0]=4 77 B13R0.179 CC(=O)NCCCCCCNC(=O)C 527a_200011996284_100103153847 [0,0,0,0,0,0|4,0,0]=4 78 B13R0.179 CC(=O)NCCCCCCSC(=O)C 11a_100000704104_100015343762 [0,0,0,0,0,0|4,0,0]=4 79 B13R0.179 CC(=O)NCCCCCCSC(=O)C 1626a_100000704104_100015343762 [0,0,0,0,0,0|4,0,0]=4 80 B13R0.179 CC(=O)NCCCCCCSC(=O)C 240690a_100000704104_100015343762 [0,0,0,0,0,0|4,0,0]=4 81 B13R0.179 CC(=O)NCCCCCCSC(=O)C 527a_100000704104_100103153847 [0,0,0,0,0,0|4,0,0]=4 82 B13R0.179 CC(=O)NCCCCCNCC(=O)N 2230a_200012022750_100000747473 [0,0,0,0,0,0|4,0,0]=4 83 B13R0.179 CC(=O)NCCCCCNCC(=O)N 34a_200012022750_100000187820 [0,0,0,0,0,0|4,0,0]=4 84 B13R0.179 CC(=O)NCCCCCNCC(=O)[O-] 34a_200012022750_100020667443 [0,0,0,0,0,0|3,0,1]=4 85 B13R0.179 CC(=O)NCCCCNCCC(=O)N 2230a_200011368371_100000744528 [0,0,0,0,0,0|4,0,0]=4 86 B13R0.179 CC(=O)NCCCCNCCC(=O)N 34a_200011368371_100000731001 [0,0,0,0,0,0|4,0,0]=4 87 B13R0.179 CC(=O)NCCCNCCCC(=O)N 34a_100000736810_100102525003 [0,0,0,0,0,0|4,0,0]=4 88 B13R0.179 CC(=O)NCCCOCCCC(=O)N 34a_100000752032_100102525003 [0,0,0,0,0,0|4,0,0]=4 89 B13R0.179 CC(=O)NCCNCCOCC(=O)O 269956a_100000700818_100000189650 [0,0,0,0,0,0|4,0,0]=4 90 B13R0.179 CC(=O)NCCOCCCCC(=O)N 7a_100012022536_100000189650 [0,0,0,0,0,0|4,0,0]=4 91 B13R0.179 CC(=O)OCCCCCNCC(=O)N 2230a_100000711301_100009813381 [0,0,0,0,0,0|4,0,0]=4 92 B13R0.179 CC(=O)OCCCCCNCC(=O)O 269956a_100016091260_100000033007 [0,0,0,0,0,0|3,0,0]=3 93 B13R0.179 CC(=O)OCCCCCSCC(=O)N 62a_100000033007_100000747473 [0,0,0,0,0,0|4,0,0]=4 94 B13R0.179 CC(=O)OCCCCCSCC(=O)N 62a_100000747473_100000033007 [0,0,0,0,0,0|4,0,0]=4 95 B13R0.179 CC(=O)OCCCCCSCC(=O)[O-] 62a_100000033007_100020667443 [0,0,0,0,0,0|3,0,1]=4 96 B13R0.179 CC(=O)OCCCCCSCC(=O)[O-] 62a_100020667443_100000033007 [0,0,0,0,0,0|3,0,1]=4 97 B13R0.179 CC(=O)OCCCCNOCC(=O)O 269956a_100000106656_100000033659 [0,0,0,0,0,0|4,0,0]=4 98 B13R0.179 CC(=O)OCCCCOCCC(=O)N 34a_100000073216_100000731001 [0,0,0,0,0,0|4,0,0]=4 99 B13R0.179 CC(=O)OCCCCOCCC(=O)N 34a_100000757172_100000033659 [0,0,0,0,0,0|4,0,0]=4 100 B13R0.179 CC(=O)OCCCCOCCC(=O)N 7a_100000073216_100000744528 [0,0,0,0,0,0|4,0,0]=4 101 B13R0.179 CC(=O)OCCCCOCCC(=O)N 7a_100000757172_100000033659 [0,0,0,0,0,0|4,0,0]=4 102 B13R0.179 CC(=O)OCCCCSCCC(=O)N 62a_100000033659_100000744528 [0,0,0,0,0,0|4,0,0]=4 103 B13R0.179 CC(=O)OCCCCSCCC(=O)N 62a_100000744528_100000033659 [0,0,0,0,0,0|4,0,0]=4 104 B13R0.179 CC(=O)OCCCNCCCC(=O)N 34a_100000739312_100000042594 [0,0,0,0,0,0|4,0,0]=4 105 B13R0.179 CC(=O)OCCCSCCCC(=O)N 62a_100000042594_100102525003 [0,0,0,0,0,0|4,0,0]=4 106 B13R0.179 CC(=O)OCCCSCCCC(=O)N 62a_100102525003_100000042594 [0,0,0,0,0,0|4,0,0]=4 107 B13R0.179 CC(=O)OCCNCCCCC(=O)N 34a_100000696515_100009814007 [0,0,0,0,0,0|4,0,0]=4 108 B13R0.179 CC(=O)OCCNCCOCC(=O)O 269956a_100000700818_100009814007 [0,0,0,0,0,0|4,0,0]=4 109 B13R0.179 CC(=O)OCCOCCCCC(=O)N 34a_100012022536_100009814007 [0,0,0,0,0,0|4,0,0]=4 110 B13R0.179 CC(=O)OCCOCCCCC(=O)N 7a_100012022536_100009814007 [0,0,0,0,0,0|4,0,0]=4 111 B13R0.179 CC(=O)OCCOCCNCC(=O)O 269956a_100016091260_200000083610 [0,0,0,0,0,0|4,0,0]=4 112 B13R0.179 CC(=O)OCOCCCCCC(=O)N 34a_100000123541_100009813279 [0,0,0,0,0,0|4,0,0]=4 113 B13R0.179 CC(=O)OCSCCCCCC(=O)N 62a_100000076356_100009817443 [0,0,0,0,0,0|4,0,0]=4 114 B13R0.179 CC(=O)OCSCCCCCC(=O)N 62a_100009817443_100000076356 [0,0,0,0,0,0|4,0,0]=4 115 B13R0.179 CC(=O)SCCCCNOCC(=O)O 269956a_100000106656_200010402107 [0,0,0,0,0,0|4,0,0]=4 116 B13R0.179 CC(=O)SCCCCOCCC(=O)N 34a_100000757172_200010402107 [0,0,0,0,0,0|4,0,0]=4 117 B13R0.179 CC(=O)SCCCCOCCC(=O)N 7a_100000757172_200010402107 [0,0,0,0,0,0|4,0,0]=4 118 B13R0.179 CC(=O)SCCCCSCCC(=O)N 62a_100000744528_200010402107 [0,0,0,0,0,0|4,0,0]=4 119 B13R0.179 CC(=O)SCCCCSCCC(=O)N 62a_200010402107_100000744528 [0,0,0,0,0,0|4,0,0]=4 120 B13R0.179 CC(=O)SCCCNCCCC(=O)N 34a_100000739312_100000038929 [0,0,0,0,0,0|4,0,0]=4 121 B13R0.179 CC(=O)SCCCSCCCC(=O)N 62a_100000038929_100102525003 [0,0,0,0,0,0|4,0,0]=4 122 B13R0.179 CC(=O)SCCCSCCCC(=O)N 62a_100102525003_100000038929 [0,0,0,0,0,0|4,0,0]=4 123 B13R0.179 CC(O)CCCNCCCCC(=O)N 34a_100000696515_200000718107 [0,0,0,0,0,0|3,0,1]=4 124 B13R0.179 CC(O)CCCNCCOCC(=O)O 269956a_100000700818_200000718107 [0,0,0,0,0,0|3,0,1]=4 125 B13R0.179 CC(O)CCCOCCCCC(=O)N 34a_100012022536_200000718107 [0,0,0,0,0,0|3,0,1]=4 126 B13R0.179 CC(O)CCCOCCCCC(=O)N 7a_100012022536_200000718107 [0,0,0,0,0,0|3,0,1]=4 127 B13R0.179 CC(O)CCNCCCCCC(=O)N 2230a_200000755665_100009817443 [0,0,0,0,0,0|3,0,1]=4 128 B13R0.179 CC(O)CCOCCCCCC(=O)N 34a_100000123541_100012276601 [0,0,0,0,0,0|3,0,1]=4 129 B13R0.179 CC(O)CCOCCCCCC(=O)N 7a_100000123541_100012276601 [0,0,0,0,0,0|3,0,1]=4 130 B13R0.179 CC(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100012276601 [0,0,0,0,0,0|2,0,2]=4 131 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100009817443_100012276601 [0,0,0,0,0,0|3,0,1]=4 132 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100012276601_100009817443 [0,0,0,0,0,0|3,0,1]=4 133 B13R0.179 NC(=O)CCCCCNOCC(=O)O 269956a_100000106656_100009817443 [0,0,0,0,0,0|3,0,0]=3 134 B13R0.179 NC(=O)CCCCCOCCC(=O)N 34a_100000123541_100000731001 [0,0,0,0,0,0|3,0,0]=3 135 B13R0.179 NC(=O)CCCCCOCCC(=O)N 34a_100000757172_100009817443 [0,0,0,0,0,0|3,0,0]=3 136 B13R0.179 NC(=O)CCCCCOCCC(=O)N 7a_100000123541_100000744528 [0,0,0,0,0,0|3,0,0]=3 137 B13R0.179 NC(=O)CCCCCOCCC(=O)N 7a_100000757172_100009817443 [0,0,0,0,0,0|3,0,0]=3 138 B13R0.179 NC(=O)CCCCCSCCC(=O)N 62a_100000744528_100009817443 [0,0,0,0,0,0|3,0,0]=3 139 B13R0.179 NC(=O)CCCCCSCCC(=O)N 62a_100009817443_100000744528 [0,0,0,0,0,0|3,0,0]=3 140 B13R0.179 NC(=O)CCCCNCCCC(=O)N 34a_100000696515_100102525003 [0,0,0,0,0,0|3,0,0]=3 141 B13R0.179 NC(=O)CCCCNCCOC(=O)N 34a_100000696515_200011214921 [0,0,0,0,0,0|4,0,0]=4 142 B13R0.179 NC(=O)CCCCOCCCC(=O)N 34a_100012022536_100102525003 [0,0,0,0,0,0|3,0,0]=3 143 B13R0.179 NC(=O)CCCCOCCCC(=O)N 7a_100012022536_100102525003 [0,0,0,0,0,0|3,0,0]=3 144 B13R0.179 NC(=O)CCCCOCCNC(=O)N 7a_100012022536_200000034859 [0,0,0,0,0,0|4,0,0]=4 145 B13R0.179 NC(=O)CCCCOCCOC(=O)N 34a_100012022536_200011214921 [0,0,0,0,0,0|4,0,0]=4 146 B13R0.179 NC(=O)CCCCOCCOC(=O)N 7a_100012022536_200011214921 [0,0,0,0,0,0|4,0,0]=4 147 B13R0.179 NC(=O)CCCNCCCCB(O)O 34a_100000739312_200009817182 [0,0,0,0,0,0|3,0,1]=4 148 B13R0.179 NC(=O)CCCNCCOCC(=O)N 34a_100000739312_100000076697 [0,0,0,0,0,0|4,0,0]=4 149 B13R0.179 NC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100102525003 [0,0,0,0,0,0|3,0,0]=3 150 B13R0.179 NC(=O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100102525003 [0,0,0,0,0,0|3,0,1]=4 151 B13R0.179 NC(=O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100102525003 [0,0,0,0,0,0|3,0,1]=4 152 B13R0.179 NC(=O)CCCSCCCCB(O)O 62a_100102525003_200009817182 [0,0,0,0,0,0|3,0,1]=4 153 B13R0.179 NC(=O)CCCSCCCCB(O)O 62a_200009817182_100102525003 [0,0,0,0,0,0|3,0,1]=4 154 B13R0.179 NC(=O)CCCSCCOCC(=O)N 62a_100000076697_100102525003 [0,0,0,0,0,0|4,0,0]=4 155 B13R0.179 NC(=O)CCCSCCOCC(=O)N 62a_100102525003_100000076697 [0,0,0,0,0,0|4,0,0]=4 156 B13R0.179 NC(=O)CCOCCCCCB(O)O 34a_100000757172_200009817188 [0,0,0,0,0,0|3,0,1]=4 157 B13R0.179 NC(=O)CCOCCCCCB(O)O 7a_100000757172_200009817188 [0,0,0,0,0,0|3,0,1]=4 158 B13R0.179 NC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000744528 [0,0,0,0,0,0|2,0,1]=3 159 B13R0.179 NC(=O)CCSCCCCCB(O)O 62a_100000744528_200009817188 [0,0,0,0,0,0|3,0,1]=4 160 B13R0.179 NC(=O)CCSCCCCCB(O)O 62a_200009817188_100000744528 [0,0,0,0,0,0|3,0,1]=4 161 B13R0.179 NC(=O)CNCCCCCCB(O)O 2230a_100000711301_100009817187 [0,0,0,0,0,0|3,0,1]=4 162 B13R0.179 NC(=O)CSCCCCCCB(O)O 62a_100000747473_100009817187 [0,0,0,0,0,0|3,0,1]=4 163 B13R0.179 NC(=O)CSCCCCCCB(O)O 62a_100009817187_100000747473 [0,0,0,0,0,0|3,0,1]=4 164 B13R0.179 NC(=O)NCCNCCOCC(=O)O 269956a_100000700818_200000034859 [0,0,0,0,0,0|4,0,0]=4 165 B13R0.179 O=C(O)CNCCCCCCB(O)O 269956a_100016091260_100009817187 [0,0,0,0,0,0|2,0,1]=3 166 B13R0.179 O=C(O)CONCCCCCB(O)O 269956a_100000106656_200009817188 [0,0,0,0,0,0|3,0,1]=4 167 B13R0.179 O=C([O-])CSCCCCCCB(O)O 62a_100009817187_100020667443 [0,0,0,0,0,0|2,0,2]=4 168 B13R0.179 O=C([O-])CSCCCCCCB(O)O 62a_100020667443_100009817187 [0,0,0,0,0,0|2,0,2]=4 169 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [1,0,0,0,0,0|2,0,1]=4 170 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [1,0,0,0,0,0|2,0,1]=4 171 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [1,0,0,0,0,0|2,0,1]=4 172 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000139337_100000730704 [1,0,0,0,0,0|3,0,0]=4 173 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000730704_100000139337 [1,0,0,0,0,0|3,0,0]=4 174 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [1,0,0,0,0,0|2,0,0]=3 175 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [1,0,0,0,0,0|2,0,0]=3 176 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [1,0,0,0,0,0|2,0,0]=3 177 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [1,0,0,0,0,0|3,0,0]=4 178 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [1,0,0,0,0,0|2,0,0]=3 179 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [1,0,0,0,0,0|3,0,0]=4 180 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [1,0,0,0,0,0|3,0,0]=4 181 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [1,0,0,0,0,0|3,0,0]=4 182 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [1,0,0,0,0,0|2,0,1]=4 183 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [1,0,0,0,0,0|3,0,0]=4 184 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [1,0,0,0,0,0|3,0,0]=4 185 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [1,0,0,0,0,0|2,0,1]=4 186 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [1,0,0,0,0,0|2,0,1]=4 187 B12R0.234 C=CCCCCCNOCC(=O)O 269956a_100000106656_100000700193 [1,0,0,0,0,0|3,0,0]=4 188 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [1,0,0,0,0,0|3,0,0]=4 189 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [1,0,0,0,0,0|3,0,0]=4 190 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [1,0,0,0,0,0|3,0,0]=4 191 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [1,0,0,0,0,0|3,0,0]=4 192 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [1,0,0,0,0,0|3,0,0]=4 193 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [1,0,0,0,0,0|3,0,0]=4 194 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [1,0,0,0,0,0|3,0,0]=4 195 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [1,0,0,0,0,0|3,0,0]=4 196 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [1,0,0,0,0,0|3,0,0]=4 197 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [1,0,0,0,0,0|3,0,0]=4 198 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [1,0,0,0,0,0|3,0,0]=4 199 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [1,0,0,0,0,0|3,0,0]=4 200 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [1,0,0,0,0,0|3,0,0]=4 201 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [1,0,0,0,0,0|3,0,0]=4 202 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [1,0,0,0,0,0|3,0,0]=4 203 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [1,0,0,0,0,0|3,0,0]=4 204 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [1,0,0,0,0,0|3,0,0]=4 205 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [1,0,0,0,0,0|3,0,0]=4 206 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [1,0,0,0,0,0|3,0,0]=4 207 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [1,0,0,0,0,0|3,0,0]=4 208 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [1,0,0,0,0,0|3,0,0]=4 209 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [1,0,0,0,0,0|3,0,0]=4 210 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [1,0,0,0,0,0|3,0,0]=4 211 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [1,0,0,0,0,0|3,0,0]=4 212 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [1,0,0,0,0,0|3,0,0]=4 213 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [1,0,0,0,0,0|3,0,0]=4 214 B12R0.234 C=CCCCNCCOCC(=O)O 269956a_100000700818_100011713584 [1,0,0,0,0,0|3,0,0]=4 215 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [1,0,0,0,0,0|3,0,0]=4 216 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [1,0,0,0,0,0|3,0,0]=4 217 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [1,0,0,0,0,0|3,0,0]=4 218 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [1,0,0,0,0,0|3,0,0]=4 219 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [1,0,0,0,0,0|3,0,0]=4 220 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [1,0,0,0,0,0|3,0,0]=4 221 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [1,0,0,0,0,0|3,0,0]=4 222 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [1,0,0,0,0,0|3,0,0]=4 223 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [1,0,0,0,0,0|3,0,0]=4 224 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [1,0,0,0,0,0|3,0,0]=4 225 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [1,0,0,0,0,0|2,0,1]=4 226 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [1,0,0,0,0,0|3,0,0]=4 227 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [1,0,0,0,0,0|3,0,0]=4 228 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [1,0,0,0,0,0|2,0,1]=4 229 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [1,0,0,0,0,0|1,0,1]=3 230 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [1,0,0,0,0,0|2,0,1]=4 231 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [1,0,0,0,0,0|2,0,0]=3 232 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [1,0,0,0,0,0|2,0,0]=3 233 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [1,0,0,0,0,0|2,0,1]=4 234 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [1,0,0,0,0,0|2,0,1]=4 235 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [1,0,0,0,0,0|2,0,1]=4 236 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [1,0,0,0,0,0|2,0,0]=3 237 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [1,0,0,0,0,0|2,0,1]=4 238 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [1,0,0,0,0,0|2,0,1]=4 239 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [1,0,0,0,0,0|2,0,0]=3 240 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [1,0,0,0,0,0|2,0,0]=3 241 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [1,0,0,0,0,0|2,0,1]=4 242 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [1,0,0,0,0,0|2,0,1]=4 243 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [1,0,0,0,0,0|2,0,0]=3 244 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [1,0,0,0,0,0|2,0,1]=4 245 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [1,0,0,0,0,0|2,0,1]=4 246 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [1,0,0,0,0,0|2,0,0]=3 247 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [1,0,0,0,0,0|2,0,0]=3 248 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [1,0,0,0,0,0|2,0,1]=4 249 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [1,0,0,0,0,0|2,0,1]=4 250 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [1,0,0,0,0,0|2,0,1]=4 251 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [1,0,0,0,0,0|2,0,1]=4 252 B12R0.234 CC(=O)NCCCCCNCC=O 2230a_200012022750_200015260668 [1,0,0,0,0,0|3,0,0]=4 253 B12R0.234 CC(=O)NCCCCCNCC=O 34a_200012022750_200009817547 [1,0,0,0,0,0|3,0,0]=4 254 B12R0.234 CC(=O)NCCNCCCCC=O 2230a_100000209853_100000139335 [1,0,0,0,0,0|3,0,0]=4 255 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000139335_100000189650 [1,0,0,0,0,0|3,0,0]=4 256 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000189650_100000139335 [1,0,0,0,0,0|3,0,0]=4 257 B12R0.234 CC(=O)OCCCCCSCC=O 62a_100000033007_200015260668 [1,0,0,0,0,0|3,0,0]=4 258 B12R0.234 CC(=O)OCCCCCSCC=O 62a_200015260668_100000033007 [1,0,0,0,0,0|3,0,0]=4 259 B12R0.234 CC(=O)OCCCSCCCC=O 62a_100000042594_200011292268 [1,0,0,0,0,0|3,0,0]=4 260 B12R0.234 CC(=O)OCCCSCCCC=O 62a_200011292268_100000042594 [1,0,0,0,0,0|3,0,0]=4 261 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100000139335_100009814007 [1,0,0,0,0,0|3,0,0]=4 262 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100009814007_100000139335 [1,0,0,0,0,0|3,0,0]=4 263 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000076356_100000139337 [1,0,0,0,0,0|3,0,0]=4 264 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000139337_100000076356 [1,0,0,0,0,0|3,0,0]=4 265 B12R0.234 CC(=O)SCCCSCCCC=O 62a_100000038929_200011292268 [1,0,0,0,0,0|3,0,0]=4 266 B12R0.234 CC(=O)SCCCSCCCC=O 62a_200011292268_100000038929 [1,0,0,0,0,0|3,0,0]=4 267 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [1,0,0,0,0,0|2,0,1]=4 268 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [1,0,0,0,0,0|2,0,1]=4 269 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [1,0,0,0,0,0|2,0,1]=4 270 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [1,0,0,0,0,0|2,0,1]=4 271 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [1,0,0,0,0,0|2,0,1]=4 272 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [1,0,0,0,0,0|2,0,1]=4 273 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [1,0,0,0,0,0|2,0,1]=4 274 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [1,0,0,0,0,0|2,0,1]=4 275 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [1,0,0,0,0,0|2,0,1]=4 276 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [1,0,0,0,0,0|3,0,0]=4 277 B12R0.234 CS(=O)CCCNCCCCC=O 2230a_200000753449_100000139335 [1,0,0,0,0,0|3,0,0]=4 278 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [1,0,0,0,0,0|2,0,1]=4 279 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [1,0,0,0,0,0|2,0,1]=4 280 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [1,0,0,0,0,0|2,0,1]=4 281 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [1,0,0,0,0,0|2,0,1]=4 282 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [1,0,0,0,0,0|2,0,1]=4 283 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [1,0,0,0,0,0|2,0,1]=4 284 B12R0.234 NC(=O)CCCCOCCCC=O 7a_100012022536_200011292268 [1,0,0,0,0,0|2,0,0]=3 285 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [1,0,0,0,0,0|2,0,1]=4 286 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [1,0,0,0,0,0|2,0,1]=4 287 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [1,0,0,0,0,0|2,0,1]=4 288 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [1,0,0,0,0,0|2,0,1]=4 289 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100000139335_100102525003 [1,0,0,0,0,0|2,0,0]=3 290 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100102525003_100000139335 [1,0,0,0,0,0|2,0,0]=3 291 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [1,0,0,0,0,0|2,0,1]=4 292 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [1,0,0,0,0,0|2,0,1]=4 293 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [1,0,0,0,0,0|2,0,1]=4 294 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [1,0,0,0,0,0|2,0,1]=4 295 B12R0.234 NC(=O)CCOCCCCCC=O 7a_100000757172_100000139337 [1,0,0,0,0,0|2,0,0]=3 296 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [1,0,0,0,0,0|2,0,1]=4 297 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [1,0,0,0,0,0|2,0,1]=4 298 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000139337_100000744528 [1,0,0,0,0,0|2,0,0]=3 299 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000744528_100000139337 [1,0,0,0,0,0|2,0,0]=3 300 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [1,0,0,0,0,0|2,0,1]=4 301 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [1,0,0,0,0,0|2,0,1]=4 302 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [1,0,0,0,0,0|2,0,1]=4 303 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [1,0,0,0,0,0|2,0,1]=4 304 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [1,0,0,0,0,0|2,0,1]=4 305 B12R0.234 NC(=O)COCCSCCCC=O 62a_100000076697_200011292268 [1,0,0,0,0,0|3,0,0]=4 306 B12R0.234 NC(=O)COCCSCCCC=O 62a_200011292268_100000076697 [1,0,0,0,0,0|3,0,0]=4 307 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [1,0,0,0,0,0|2,0,1]=4 308 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [1,0,0,0,0,0|2,0,1]=4 309 B12R0.234 NC(=O)NCCSCCCCC=O 62a_100000139335_200000034859 [1,0,0,0,0,0|3,0,0]=4 310 B12R0.234 NC(=O)NCCSCCCCC=O 62a_200000034859_100000139335 [1,0,0,0,0,0|3,0,0]=4 311 B12R0.234 NC(=O)OCCOCCCCC=O 7a_100000766696_100000139335 [1,0,0,0,0,0|3,0,0]=4 312 B12R0.234 NC(=O)OCCSCCCCC=O 62a_100000139335_200011214921 [1,0,0,0,0,0|3,0,0]=4 313 B12R0.234 NC(=O)OCCSCCCCC=O 62a_200011214921_100000139335 [1,0,0,0,0,0|3,0,0]=4 314 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [1,0,0,0,0,0|1,0,1]=3 315 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [1,0,0,0,0,0|2,0,1]=4 316 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [1,0,0,0,0,0|2,0,1]=4 317 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [1,0,0,0,0,0|1,0,2]=4 318 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [1,0,0,0,0,0|1,0,2]=4 319 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [1,0,0,0,0,0|1,0,2]=4 320 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [1,0,0,0,0,0|1,0,2]=4 321 B12R0.234 O=CCCCCCNOCC(=O)O 269956a_100000106656_100000139337 [1,0,0,0,0,0|2,0,0]=3 322 B12R0.234 O=CCCCNCCOCC(=O)O 269956a_100000700818_200011292268 [1,0,0,0,0,0|2,0,0]=3 323 B12R0.234 O=CCCCOCCCC[N+](=O)[O-] 7a_200015379883_200011292268 [1,0,0,0,0,0|2,0,1]=4 324 B12R0.234 O=CCCCSCCCCB(O)O 62a_200009817182_200011292268 [1,0,0,0,0,0|2,0,1]=4 325 B12R0.234 O=CCCCSCCCCB(O)O 62a_200011292268_200009817182 [1,0,0,0,0,0|2,0,1]=4 326 B12R0.234 O=CCSCCCCCCB(O)O 62a_100009817187_200015260668 [1,0,0,0,0,0|2,0,1]=4 327 B12R0.234 O=CCSCCCCCCB(O)O 62a_200015260668_100009817187 [1,0,0,0,0,0|2,0,1]=4 328 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [1,0,0,0,0,0|2,0,1]=4 329 B14R0.67 CC(=O)CCCCN(C)CCCC(=O)O 269956a_100000719178_100000735457 [0,1,0,0,0,0|2,0,0]=3 330 B14R0.67 CC(=O)CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011215641 [0,1,0,0,0,0|2,0,1]=4 331 B14R0.67 CC(=O)OCCCN(C)CCCC(=O)O 269956a_100000719178_100000042594 [0,1,0,0,0,0|3,0,0]=4 332 B14R0.67 CC(=O)SCCCN(C)CCCC(=O)O 269956a_100000719178_100000038929 [0,1,0,0,0,0|3,0,0]=4 333 B14R0.67 CC(CCCC(=O)[O-])OCCCC(=O)N 7a_100000761597_100102525003 [0,1,0,0,0,0|2,0,1]=4 334 B14R0.67 CN(CCCC(=O)O)CCOCC(=O)N 269956a_100000719178_100000076697 [0,1,0,0,0,0|3,0,0]=4 335 B14R0.67 CN(CCCCB(O)O)CCCC(=O)O 269956a_100000719178_200009817182 [0,1,0,0,0,0|2,0,1]=4 336 B14R0.305 C=C(Br)CCOCCCCCC(=O)OC 34a_100009813270_100009816466 [0,1,0,0,0,0|3,0,0]=4 337 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 34a_100000074720_100000730704 [0,1,0,0,0,0|3,0,0]=4 338 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 34a_100000764851_100009816466 [0,1,0,0,0,0|3,0,0]=4 339 B14R0.305 C=C(C)CCOCCCCCC(=O)OC 7a_100000074720_100000730704 [0,1,0,0,0,0|3,0,0]=4 340 B14R0.305 C=C(C)CCSCCCCCC(=O)OC 62a_100000730704_100009816466 [0,1,0,0,0,0|3,0,0]=4 341 B14R0.305 C=C(C)CCSCCCCCC(=O)OC 62a_100009816466_100000730704 [0,1,0,0,0,0|3,0,0]=4 342 B14R0.305 C=C(C)COCCCCCCC(=O)OC 34a_100000210245_100009815986 [0,1,0,0,0,0|3,0,0]=4 343 B14R0.305 C=C(C)COCCCCCCC(=O)OC 34a_100009863599_100000748629 [0,1,0,0,0,0|3,0,0]=4 344 B14R0.305 C=C(C)COCCCCCCC(=O)OC 7a_100009863599_100000748629 [0,1,0,0,0,0|3,0,0]=4 345 B14R0.305 C=C(C)CSCCCCCCC(=O)OC 62a_100000748629_100009815986 [0,1,0,0,0,0|3,0,0]=4 346 B14R0.305 C=C(C)CSCCCCCCC(=O)OC 62a_100009815986_100000211660 [0,1,0,0,0,0|3,0,0]=4 347 B14R0.305 C=C(F)COCCCCCCC(=O)OC 34a_100009863599_100009893438 [0,1,0,0,0,0|3,0,0]=4 348 B14R0.305 C=C(F)COCCCCCCC(=O)OC 34a_200010262243_100009815986 [0,1,0,0,0,0|3,0,0]=4 349 B14R0.305 C=C(F)COCCCCCCC(=O)OC 7a_100009863599_100000042424 [0,1,0,0,0,0|3,0,0]=4 350 B14R0.305 C=C(F)CSCCCCCCC(=O)OC 62a_100000042424_100009815986 [0,1,0,0,0,0|3,0,0]=4 351 B14R0.305 C=C(F)CSCCCCCCC(=O)OC 62a_100009815986_100000042424 [0,1,0,0,0,0|3,0,0]=4 352 B14R0.305 CC(=O)CCCCOCCCC(=O)NN 34a_100000211488_100009817362 [0,1,0,0,0,0|3,0,0]=4 353 B14R0.305 CC(=O)NCCCCCCNC(=O)CO 240690a_200011996284_100000210174 [0,1,0,0,0,0|3,0,0]=4 354 B14R0.305 CC(=O)NCCCCCCNC(=O)CO 527a_200011996284_100000210174 [0,1,0,0,0,0|3,0,0]=4 355 B14R0.305 CC(=O)SCCCCCCNC(=O)CO 240690a_100000704104_100000210174 [0,1,0,0,0,0|3,0,0]=4 356 B14R0.305 CC(=O)SCCCCCCNC(=O)CO 527a_100000704104_100000210174 [0,1,0,0,0,0|3,0,0]=4 357 B14R0.305 CNC(=O)CCCNCCCCC(=O)C 34a_100000740002_100009817362 [0,1,0,0,0,0|3,0,0]=4 358 B14R0.305 CNC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000741757 [0,1,0,0,0,0|3,0,0]=4 359 B14R0.305 CNC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100000741757 [0,1,0,0,0,0|3,0,0]=4 360 B14R0.305 CNC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000741757 [0,1,0,0,0,0|3,0,0]=4 361 B14R0.305 CNC(=O)CCCOCCCCC(=O)N 7a_100012022536_100000741757 [0,1,0,0,0,0|3,0,0]=4 362 B14R0.305 CNC(=O)CCCSCCCCC(=O)C 62a_100000735457_100000741757 [0,1,0,0,0,0|3,0,0]=4 363 B14R0.305 CNC(=O)CCCSCCCCC(=O)C 62a_100000741757_100000735457 [0,1,0,0,0,0|3,0,0]=4 364 B14R0.305 CNC(=O)CCNCCCCCC(=O)N 2230a_100000738227_100009817443 [0,1,0,0,0,0|3,0,0]=4 365 B14R0.305 CNC(=O)CCNCCCCCC(=O)N 34a_100000738227_100009817443 [0,1,0,0,0,0|3,0,0]=4 366 B14R0.305 CNC(=O)CCOCCCCCC(=O)N 34a_100000123541_100012179268 [0,1,0,0,0,0|3,0,0]=4 367 B14R0.305 CNC(=O)CCOCCCCCC(=O)N 34a_100000754576_100009817443 [0,1,0,0,0,0|3,0,0]=4 368 B14R0.305 CNC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000737683 [0,1,0,0,0,0|3,0,0]=4 369 B14R0.305 CNC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000737683 [0,1,0,0,0,0|2,0,1]=4 370 B14R0.305 CNC(=O)CCSCCCCCC(=O)N 62a_100000737683_100009817443 [0,1,0,0,0,0|3,0,0]=4 371 B14R0.305 CNC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000737683 [0,1,0,0,0,0|3,0,0]=4 372 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000036616_200000210301 [0,1,0,0,0,0|1,0,0]=2 373 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010282707 [0,1,0,0,0,0|1,0,0]=2 374 B14R0.305 COC(=O)CCCCCCCCC(=O)[13CH3] 1458a_100000036616_200025704644 [0,1,0,0,0,0|1,0,0]=2 375 B14R0.305 COC(=O)CCCCCCCCN(C)C 2230a_100102631434_100010282707 [0,1,0,0,0,0|3,0,0]=4 376 B14R0.305 COC(=O)CCCCCCCCN(C)C 269982a_100102631434_100010282707 [0,1,0,0,0,0|3,0,0]=4 377 B14R0.305 COC(=O)CCCCCCCNC(=O)C 188690a_100000687944_100015343762 [0,1,0,0,0,0|2,0,0]=3 378 B14R0.305 COC(=O)CCCCCCNCC(=O)N 2230a_100000711301_100009815986 [0,1,0,0,0,0|2,0,0]=3 379 B14R0.305 COC(=O)CCCCCCNCC(=O)O 269956a_100016091260_100009815986 [0,1,0,0,0,0|1,0,0]=2 380 B14R0.305 COC(=O)CCCCCCNCC(C)O 2230a_100000210904_100009815986 [0,1,0,0,0,0|2,0,1]=4 381 B14R0.305 COC(=O)CCCCCCNCC(C)O 34a_100000210904_100009815986 [0,1,0,0,0,0|2,0,1]=4 382 B14R0.305 COC(=O)CCCCCCOCC(=O)C 34a_100000211253_100009815986 [0,1,0,0,0,0|2,0,0]=3 383 B14R0.305 COC(=O)CCCCCCOCC(=O)N 34a_100009863599_100000187820 [0,1,0,0,0,0|2,0,0]=3 384 B14R0.305 COC(=O)CCCCCCOCC(=O)N 7a_100009863599_100000187820 [0,1,0,0,0,0|2,0,0]=3 385 B14R0.305 COC(=O)CCCCCCOCC(=O)[O-] 34a_100009863599_100020667443 [0,1,0,0,0,0|1,0,1]=3 386 B14R0.305 COC(=O)CCCCCCOCC(C)O 34a_100009863599_100011218427 [0,1,0,0,0,0|2,0,1]=4 387 B14R0.305 COC(=O)CCCCCCOCC(C)O 7a_100009863599_100011218427 [0,1,0,0,0,0|2,0,1]=4 388 B14R0.305 COC(=O)CCCCCCOC[C@@H](C)O 34a_100009863599_100009817552 [0,1,0,0,0,0|2,0,1]=4 389 B14R0.305 COC(=O)CCCCCCOC[C@@H](C)O 7a_100009863599_100009817552 [0,1,0,0,0,0|2,0,1]=4 390 B14R0.305 COC(=O)CCCCCCOC[N+](=O)[O-] 34a_100009863599_100000761209 [0,1,0,0,0,0|2,0,1]=4 391 B14R0.305 COC(=O)CCCCCCSCC(=O)N 62a_100000747473_100009815986 [0,1,0,0,0,0|2,0,0]=3 392 B14R0.305 COC(=O)CCCCCCSCC(=O)N 62a_100009815986_100000747473 [0,1,0,0,0,0|2,0,0]=3 393 B14R0.305 COC(=O)CCCCCCSCC(=O)[O-] 62a_100009815986_100020667443 [0,1,0,0,0,0|1,0,1]=3 394 B14R0.305 COC(=O)CCCCCCSCC(=O)[O-] 62a_100020667443_100009815986 [0,1,0,0,0,0|1,0,1]=3 395 B14R0.305 COC(=O)CCCCCCSCC(C)O 62a_100009815986_100011218427 [0,1,0,0,0,0|2,0,1]=4 396 B14R0.305 COC(=O)CCCCCCSCC(C)O 62a_100011218427_100009815986 [0,1,0,0,0,0|2,0,1]=4 397 B14R0.305 COC(=O)CCCCCCSC[C@@H](C)O 62a_100009815986_100009817552 [0,1,0,0,0,0|2,0,1]=4 398 B14R0.305 COC(=O)CCCCCCSC[C@@H](C)O 62a_100009817552_100009815986 [0,1,0,0,0,0|2,0,1]=4 399 B14R0.305 COC(=O)CCCCCCSC[N+](=O)[O-] 62a_100009815986_100000761209 [0,1,0,0,0,0|2,0,1]=4 400 B14R0.305 COC(=O)CCCCCNCCC(C)O 2230a_200000755665_100009816466 [0,1,0,0,0,0|2,0,1]=4 401 B14R0.305 COC(=O)CCCCCNOCC(=O)O 269956a_100000106656_100009816466 [0,1,0,0,0,0|2,0,0]=3 402 B14R0.305 COC(=O)CCCCCOCCC(=O)C 34a_100000759926_100009816466 [0,1,0,0,0,0|2,0,0]=3 403 B14R0.305 COC(=O)CCCCCOCCC(=O)C 7a_100000074720_100000053229 [0,1,0,0,0,0|2,0,0]=3 404 B14R0.305 COC(=O)CCCCCOCCC(=O)C 7a_100000759926_100009816466 [0,1,0,0,0,0|2,0,0]=3 405 B14R0.305 COC(=O)CCCCCOCCC(=O)N 34a_100000074720_100000731001 [0,1,0,0,0,0|2,0,0]=3 406 B14R0.305 COC(=O)CCCCCOCCC(=O)N 34a_100000757172_100009816466 [0,1,0,0,0,0|2,0,0]=3 407 B14R0.305 COC(=O)CCCCCOCCC(=O)N 7a_100000074720_100000744528 [0,1,0,0,0,0|2,0,0]=3 408 B14R0.305 COC(=O)CCCCCOCCC(=O)N 7a_100000757172_100009816466 [0,1,0,0,0,0|2,0,0]=3 409 B14R0.305 COC(=O)CCCCCOCCC(C)O 34a_100000074720_100012276601 [0,1,0,0,0,0|2,0,1]=4 410 B14R0.305 COC(=O)CCCCCOCCC(C)O 7a_100000074720_100012276601 [0,1,0,0,0,0|2,0,1]=4 411 B14R0.305 COC(=O)CCCCCOCOC(=O)C 34a_100000074720_100009813279 [0,1,0,0,0,0|3,0,0]=4 412 B14R0.305 COC(=O)CCCCCSCCC(=O)C 62a_100000053229_100009816466 [0,1,0,0,0,0|2,0,0]=3 413 B14R0.305 COC(=O)CCCCCSCCC(=O)C 62a_100009816466_100000053229 [0,1,0,0,0,0|2,0,0]=3 414 B14R0.305 COC(=O)CCCCCSCCC(=O)N 62a_100000744528_100009816466 [0,1,0,0,0,0|2,0,0]=3 415 B14R0.305 COC(=O)CCCCCSCCC(=O)N 62a_100009816466_100000744528 [0,1,0,0,0,0|2,0,0]=3 416 B14R0.305 COC(=O)CCCCCSCCC(C)O 62a_100009816466_100012276601 [0,1,0,0,0,0|2,0,1]=4 417 B14R0.305 COC(=O)CCCCCSCCC(C)O 62a_100012276601_100009816466 [0,1,0,0,0,0|2,0,1]=4 418 B14R0.305 COC(=O)CCCCCSCOC(=O)C 62a_100000076356_100009816466 [0,1,0,0,0,0|3,0,0]=4 419 B14R0.305 COC(=O)CCCCCSCOC(=O)C 62a_100009816466_100000076356 [0,1,0,0,0,0|3,0,0]=4 420 B14R0.305 COC(=O)CCCCNCCCC(=O)N 34a_100000739312_100000204269 [0,1,0,0,0,0|2,0,0]=3 421 B14R0.305 COC(=O)CCCCNCCCS(=O)C 2230a_200000753449_100000204269 [0,1,0,0,0,0|3,0,0]=4 422 B14R0.305 COC(=O)CCCCNCCNC(=O)C 2230a_100000209853_100000204269 [0,1,0,0,0,0|3,0,0]=4 423 B14R0.305 COC(=O)CCCCNCCNC(=O)N 34a_100020590234_100000204269 [0,1,0,0,0,0|3,0,0]=4 424 B14R0.305 COC(=O)CCCCOCCCC(=O)C 34a_100000059025_100000685027 [0,1,0,0,0,0|2,0,0]=3 425 B14R0.305 COC(=O)CCCCOCCCC(=O)C 34a_100000759063_100000204269 [0,1,0,0,0,0|2,0,0]=3 426 B14R0.305 COC(=O)CCCCOCCCC(=O)C 7a_100000059025_100011215641 [0,1,0,0,0,0|2,0,0]=3 427 B14R0.305 COC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000204269 [0,1,0,0,0,0|2,0,0]=3 428 B14R0.305 COC(=O)CCCCOCCCC(=O)N 34a_100000059025_100102525003 [0,1,0,0,0,0|2,0,0]=3 429 B14R0.305 COC(=O)CCCCOCCCC(=O)N 7a_100000059025_100102525003 [0,1,0,0,0,0|2,0,0]=3 430 B14R0.305 COC(=O)CCCCOCCCC(C)O 34a_100000059025_200000718107 [0,1,0,0,0,0|2,0,1]=4 431 B14R0.305 COC(=O)CCCCOCCCC(C)O 7a_100000059025_200000718107 [0,1,0,0,0,0|2,0,1]=4 432 B14R0.305 COC(=O)CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000204269 [0,1,0,0,0,0|2,0,1]=4 433 B14R0.305 COC(=O)CCCCOCCNC(=O)C 34a_100000158858_100000204269 [0,1,0,0,0,0|3,0,0]=4 434 B14R0.305 COC(=O)CCCCOCCNC(=O)C 7a_100000059025_100000189650 [0,1,0,0,0,0|3,0,0]=4 435 B14R0.305 COC(=O)CCCCOCCNC(=O)N 34a_100000181757_100000204269 [0,1,0,0,0,0|3,0,0]=4 436 B14R0.305 COC(=O)CCCCOCCNC(=O)N 7a_100000059025_200000034859 [0,1,0,0,0,0|3,0,0]=4 437 B14R0.305 COC(=O)CCCCOCCOC(=O)C 34a_100000059025_100009814007 [0,1,0,0,0,0|3,0,0]=4 438 B14R0.305 COC(=O)CCCCOCCOC(=O)C 7a_100000059025_100009814007 [0,1,0,0,0,0|3,0,0]=4 439 B14R0.305 COC(=O)CCCCOCCOC(=O)N 34a_100000059025_200011214921 [0,1,0,0,0,0|3,0,0]=4 440 B14R0.305 COC(=O)CCCCOCCOC(=O)N 7a_100000059025_200011214921 [0,1,0,0,0,0|3,0,0]=4 441 B14R0.305 COC(=O)CCCCOCCOC(=O)N 7a_100000766696_100000204269 [0,1,0,0,0,0|3,0,0]=4 442 B14R0.305 COC(=O)CCCCSCCCC(=O)C 62a_100000204269_100011215641 [0,1,0,0,0,0|2,0,0]=3 443 B14R0.305 COC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000204269 [0,1,0,0,0,0|2,0,0]=3 444 B14R0.305 COC(=O)CCCCSCCCC(=O)N 62a_100000204269_100102525003 [0,1,0,0,0,0|2,0,0]=3 445 B14R0.305 COC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000204269 [0,1,0,0,0,0|2,0,0]=3 446 B14R0.305 COC(=O)CCCCSCCCC(C)O 62a_100000204269_200000718107 [0,1,0,0,0,0|2,0,1]=4 447 B14R0.305 COC(=O)CCCCSCCCC(C)O 62a_200000718107_100000204269 [0,1,0,0,0,0|2,0,1]=4 448 B14R0.305 COC(=O)CCCCSCCNC(=O)C 62a_100000189650_100000204269 [0,1,0,0,0,0|3,0,0]=4 449 B14R0.305 COC(=O)CCCCSCCNC(=O)C 62a_100000204269_100000189650 [0,1,0,0,0,0|3,0,0]=4 450 B14R0.305 COC(=O)CCCCSCCNC(=O)N 62a_100000204269_200000034859 [0,1,0,0,0,0|3,0,0]=4 451 B14R0.305 COC(=O)CCCCSCCNC(=O)N 62a_200000034859_100000204269 [0,1,0,0,0,0|3,0,0]=4 452 B14R0.305 COC(=O)CCCCSCCOC(=O)C 62a_100000204269_100009814007 [0,1,0,0,0,0|3,0,0]=4 453 B14R0.305 COC(=O)CCCCSCCOC(=O)C 62a_100009814007_100000204269 [0,1,0,0,0,0|3,0,0]=4 454 B14R0.305 COC(=O)CCCCSCCOC(=O)N 62a_100000204269_200011214921 [0,1,0,0,0,0|3,0,0]=4 455 B14R0.305 COC(=O)CCCCSCCOC(=O)N 62a_200011214921_100000204269 [0,1,0,0,0,0|3,0,0]=4 456 B14R0.305 COC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000742333 [0,1,0,0,0,0|2,0,0]=3 457 B14R0.305 COC(=O)CCCNCCCNC(=O)C 34a_100000736810_100000742333 [0,1,0,0,0,0|3,0,0]=4 458 B14R0.305 COC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100011218270 [0,1,0,0,0,0|2,0,0]=3 459 B14R0.305 COC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000742333 [0,1,0,0,0,0|2,0,0]=3 460 B14R0.305 COC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011218270 [0,1,0,0,0,0|2,0,0]=3 461 B14R0.305 COC(=O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000742333 [0,1,0,0,0,0|2,0,1]=4 462 B14R0.305 COC(=O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100011218270 [0,1,0,0,0,0|2,0,1]=4 463 B14R0.305 COC(=O)CCCOCCCNC(=O)C 34a_100000752032_100000742333 [0,1,0,0,0,0|3,0,0]=4 464 B14R0.305 COC(=O)CCCSCCCCB(O)O 62a_100011218270_200009817182 [0,1,0,0,0,0|2,0,1]=4 465 B14R0.305 COC(=O)CCCSCCCCB(O)O 62a_200009817182_100011218270 [0,1,0,0,0,0|2,0,1]=4 466 B14R0.305 COC(=O)CCCSCCCCC(=O)C 62a_100000735457_100011218270 [0,1,0,0,0,0|2,0,0]=3 467 B14R0.305 COC(=O)CCCSCCCCC(=O)C 62a_100011218270_100000735457 [0,1,0,0,0,0|2,0,0]=3 468 B14R0.305 COC(=O)CCCSCCCOC(=O)C 62a_100000042594_100011218270 [0,1,0,0,0,0|3,0,0]=4 469 B14R0.305 COC(=O)CCCSCCCOC(=O)C 62a_100011218270_100000042594 [0,1,0,0,0,0|3,0,0]=4 470 B14R0.305 COC(=O)CCCSCCCSC(=O)C 62a_100000038929_100011218270 [0,1,0,0,0,0|3,0,0]=4 471 B14R0.305 COC(=O)CCCSCCCSC(=O)C 62a_100011218270_100000038929 [0,1,0,0,0,0|3,0,0]=4 472 B14R0.305 COC(=O)CCCSCCOCC(=O)N 62a_100000076697_100011218270 [0,1,0,0,0,0|3,0,0]=4 473 B14R0.305 COC(=O)CCCSCCOCC(=O)N 62a_100011218270_100000076697 [0,1,0,0,0,0|3,0,0]=4 474 B14R0.305 COC(=O)CCNCCCCNC(=O)C 2230a_200011368371_100000204255 [0,1,0,0,0,0|3,0,0]=4 475 B14R0.305 COC(=O)CCNCCCCNC(=O)C 34a_200011368371_100000742370 [0,1,0,0,0,0|3,0,0]=4 476 B14R0.305 COC(=O)CCOCCCCCC(=O)N 34a_100000123541_100000742370 [0,1,0,0,0,0|2,0,0]=3 477 B14R0.305 COC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000204255 [0,1,0,0,0,0|2,0,0]=3 478 B14R0.305 COC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000204255 [0,1,0,0,0,0|1,0,1]=3 479 B14R0.305 COC(=O)CCOCCCCOC(=O)C 34a_100000073216_100000742370 [0,1,0,0,0,0|3,0,0]=4 480 B14R0.305 COC(=O)CCOCCCCOC(=O)C 7a_100000073216_100000204255 [0,1,0,0,0,0|3,0,0]=4 481 B14R0.305 COC(=O)CCOCCOCCC(=O)C 1458a_200020673210_200000210301 [0,1,0,0,0,0|3,0,0]=4 482 B14R0.305 COC(=O)CCOCCOCCC(=O)[13CH3] 1458a_200020673210_200025704644 [0,1,0,0,0,0|3,0,0]=4 483 B14R0.305 COC(=O)CCSCCCCCB(O)O 62a_100000204255_200009817188 [0,1,0,0,0,0|2,0,1]=4 484 B14R0.305 COC(=O)CCSCCCCCB(O)O 62a_200009817188_100000204255 [0,1,0,0,0,0|2,0,1]=4 485 B14R0.305 COC(=O)CCSCCCCCC(=O)N 62a_100000204255_100009817443 [0,1,0,0,0,0|2,0,0]=3 486 B14R0.305 COC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000204255 [0,1,0,0,0,0|2,0,0]=3 487 B14R0.305 COC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000204255 [0,1,0,0,0,0|3,0,0]=4 488 B14R0.305 COC(=O)CCSCCCCOC(=O)C 62a_100000204255_100000033659 [0,1,0,0,0,0|3,0,0]=4 489 B14R0.305 COC(=O)CCSCCCCSC(=O)C 62a_100000204255_200010402107 [0,1,0,0,0,0|3,0,0]=4 490 B14R0.305 COC(=O)CCSCCCCSC(=O)C 62a_200010402107_100000204255 [0,1,0,0,0,0|3,0,0]=4 491 B14R0.305 COC(=O)CNCCCCCNC(=O)C 2230a_200012022750_100000747449 [0,1,0,0,0,0|3,0,0]=4 492 B14R0.305 COC(=O)CNCCCCCNC(=O)C 34a_200012022750_100000747449 [0,1,0,0,0,0|3,0,0]=4 493 B14R0.305 COC(=O)COCCNCCCC(=O)N 34a_100000739312_100000090808 [0,1,0,0,0,0|3,0,0]=4 494 B14R0.305 COC(=O)COCCOCCCC(=O)C 34a_100000759063_100000090808 [0,1,0,0,0,0|3,0,0]=4 495 B14R0.305 COC(=O)COCCOCCCC(=O)C 7a_100000759063_100000090808 [0,1,0,0,0,0|3,0,0]=4 496 B14R0.305 COC(=O)COCCSCCCC(=O)C 62a_100000090808_100011215641 [0,1,0,0,0,0|3,0,0]=4 497 B14R0.305 COC(=O)COCCSCCCC(=O)C 62a_100011215641_100000090808 [0,1,0,0,0,0|3,0,0]=4 498 B14R0.305 COC(=O)COCCSCCCC(=O)N 62a_100000090808_100102525003 [0,1,0,0,0,0|3,0,0]=4 499 B14R0.305 COC(=O)COCCSCCCC(=O)N 62a_100102525003_100000090808 [0,1,0,0,0,0|3,0,0]=4 500 B14R0.305 COC(=O)CSCCCCCCB(O)O 62a_100000747449_100009817187 [0,1,0,0,0,0|2,0,1]=4 501 B14R0.305 COC(=O)CSCCCCCCB(O)O 62a_100009817187_100000747449 [0,1,0,0,0,0|2,0,1]=4 502 B14R0.305 COC(=O)CSCCCCCOC(=O)C 62a_100000033007_100000747449 [0,1,0,0,0,0|3,0,0]=4 503 B14R0.305 COC(=O)CSCCCCCOC(=O)C 62a_100000747449_100000033007 [0,1,0,0,0,0|3,0,0]=4 504 B14R0.305 COC(=O)NCCOCCCCC(=O)C 34a_100000757965_100009817362 [0,1,0,0,0,0|3,0,0]=4 505 B14R0.305 COC(=O)OCCOCCCCC(=O)C 34a_100010262106_100009817362 [0,1,0,0,0,0|3,0,0]=4 506 B14R0.305 COC(=O)OCSCCCCCC(=O)N 62a_100009817443_100000139417 [0,1,0,0,0,0|3,0,0]=4 507 B14R0.305 NC(=O)CCCCCOCCC(=NO)N 34a_100000749954_100009817443 [0,1,0,0,0,0|3,0,0]=4 508 B14R0.427 CC(=O)CCCCNCC(O)CC(=O)O 269956a_100011218706_100000735457 [0,1,0,0,0,0|2,0,0]=3 509 B14R0.427 CC(=O)OCCCCCN(C)CC(=O)O 269956a_100000746989_100000033007 [0,1,0,0,0,0|3,0,0]=4 510 B14R0.427 CC(=O)OCCCNCC(O)CC(=O)O 269956a_100011218706_100000042594 [0,1,0,0,0,0|3,0,0]=4 511 B14R0.427 CC(=O)SCCCNCC(O)CC(=O)O 269956a_100011218706_100000038929 [0,1,0,0,0,0|3,0,0]=4 512 B14R0.427 CN(CCCCCCB(O)O)CC(=O)O 269956a_100000746989_100009817187 [0,1,0,0,0,0|2,0,1]=4 513 B14R0.427 NC(=O)COCCNCC(O)CC(=O)O 269956a_100011218706_100000076697 [0,1,0,0,0,0|3,0,0]=4 514 B14R0.549 CC(=O)C(C)COCCCCCC(=O)N 34a_100000032740_100009817443 [0,1,0,0,0,0|3,0,0]=4 515 B14R0.549 CC(=O)C(C)COCCCCCC(=O)N 7a_100000032740_100009817443 [0,1,0,0,0,0|3,0,0]=4 516 B14R0.549 CC(=O)OCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000033007 [0,1,0,0,0,0|3,0,0]=4 517 B14R0.549 CC(=O)OCCCCNCC(C)C(=O)O 269956a_100000749485_100000033659 [0,1,0,0,0,0|3,0,0]=4 518 B14R0.549 CC(=O)OCCCCNCC(F)C(=O)O 269956a_100000084737_100000033659 [0,1,0,0,0,0|3,0,0]=4 519 B14R0.549 CC(=O)SCCCCNCC(C)C(=O)O 269956a_100000749485_200010402107 [0,1,0,0,0,0|3,0,0]=4 520 B14R0.549 CC(=O)SCCCCNCC(F)C(=O)O 269956a_100000084737_200010402107 [0,1,0,0,0,0|3,0,0]=4 521 B14R0.549 CC(CNCCCCCB(O)O)C(=O)O 269956a_100000749485_200009817188 [0,1,0,0,0,0|2,0,1]=4 522 B14R0.549 CC(CNCCCCCC(=O)N)C(=O)O 269956a_100000749485_100009817443 [0,1,0,0,0,0|2,0,0]=3 523 B14R0.549 C[C@H](NCCCCCCB(O)O)C(=O)O 269956a_100000743915_100009817187 [0,1,0,0,0,0|2,0,1]=4 524 B14R0.549 NC(=O)CCCCCNCC(F)C(=O)O 269956a_100000084737_100009817443 [0,1,0,0,0,0|2,0,0]=3 525 B14R0.549 NC(=O)CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100009817443 [0,1,0,0,0,0|3,0,0]=4 526 B14R0.549 O=C(O)C(F)CNCCCCCB(O)O 269956a_100000084737_200009817188 [0,1,0,0,0,0|2,0,1]=4 527 B14R0.551 CN(CCCCCC(=O)N)CCC(=O)N 2230a_100000730477_100009817443 [0,1,0,0,0,0|3,0,0]=4 528 B14R0.551 NC(=O)CCCCCC(=O)CCC(=O)N 1458a_100011215257_100009817443 [0,1,0,0,0,0|2,0,1]=4 529 B14R1.128 CC(=O)CCCCOC1CCC(=O)C1 34a_100012614533_100009817362 [0,0,0,1,0,0|3,0,0]=4 530 B14R1.128 CC(=O)CCCCSC1COC(=O)O1 62a_100000735457_100000032252 [0,0,0,1,0,0|3,0,0]=4 531 B14R1.128 CC(=O)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000685027 [0,0,0,1,0,0|3,0,0]=4 532 B14R1.128 CC(=O)CCCOCC1CCC(=O)N1 34a_100000737831_100000685027 [0,0,0,1,0,0|3,0,0]=4 533 B14R1.128 CC(=O)CCCOCC1CNC(=O)O1 34a_100000759063_100000181169 [0,0,0,1,0,0|3,0,0]=4 534 B14R1.128 CC(=O)CCCOCC1CNC(=O)O1 34a_100011315639_100000685027 [0,0,0,1,0,0|3,0,0]=4 535 B14R1.128 CC(=O)CCCOCC1CNC(=O)O1 7a_100000759063_100000181169 [0,0,0,1,0,0|3,0,0]=4 536 B14R1.128 CC(=O)CCCOCC1COC(=O)O1 34a_100000759063_100000073702 [0,0,0,1,0,0|3,0,0]=4 537 B14R1.128 CC(=O)CCCOC[C@@H]1CCC(=O)N1 7a_100000759063_100015189358 [0,0,0,1,0,0|3,0,0]=4 538 B14R1.128 CC(=O)CCCSCC1CNC(=O)O1 62a_100000181169_100011215641 [0,0,0,1,0,0|3,0,0]=4 539 B14R1.128 CC(=O)CCCSCC1CNC(=O)O1 62a_100011215641_100000181169 [0,0,0,1,0,0|3,0,0]=4 540 B14R1.128 CC(=O)CCCSCC1COC(=O)O1 62a_100000073702_100011215641 [0,0,0,1,0,0|3,0,0]=4 541 B14R1.128 CC(=O)CCCSCC1COC(=O)O1 62a_100011215641_100000073702 [0,0,0,1,0,0|3,0,0]=4 542 B14R1.128 CC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100011215641_100015189358 [0,0,0,1,0,0|3,0,0]=4 543 B14R1.128 CC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215641 [0,0,0,1,0,0|3,0,0]=4 544 B14R1.128 NC(=O)CCCCNC1COC(=O)O1 34a_100000696515_100000032252 [0,0,0,1,0,0|3,0,0]=4 545 B14R1.128 NC(=O)CCCCOC1COC(=O)O1 34a_100012022536_100000032252 [0,0,0,1,0,0|3,0,0]=4 546 B14R1.128 NC(=O)CCCNCC1CNC(=O)O1 34a_100000739312_100000181169 [0,0,0,1,0,0|3,0,0]=4 547 B14R1.128 NC(=O)CCCNCC1COC(=O)O1 34a_100000739312_100000073702 [0,0,0,1,0,0|3,0,0]=4 548 B14R1.128 NC(=O)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100102525003 [0,0,0,1,0,0|3,0,0]=4 549 B14R1.128 NC(=O)CCCOCC1CCC(=O)N1 34a_100000737831_100102525003 [0,0,0,1,0,0|3,0,0]=4 550 B14R1.128 NC(=O)CCCOCC1CNC(=O)O1 34a_100011315639_100102525003 [0,0,0,1,0,0|3,0,0]=4 551 B14R1.128 NC(=O)CCCSCC1CNC(=O)O1 62a_100000181169_100102525003 [0,0,0,1,0,0|3,0,0]=4 552 B14R1.128 NC(=O)CCCSCC1CNC(=O)O1 62a_100102525003_100000181169 [0,0,0,1,0,0|3,0,0]=4 553 B14R1.128 NC(=O)CCCSCC1COC(=O)O1 62a_100000073702_100102525003 [0,0,0,1,0,0|3,0,0]=4 554 B14R1.128 NC(=O)CCCSCC1COC(=O)O1 62a_100102525003_100000073702 [0,0,0,1,0,0|3,0,0]=4 555 B14R1.128 NC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100102525003 [0,0,0,1,0,0|3,0,0]=4 556 B14R1.128 NC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100102525003_100015189358 [0,0,0,1,0,0|3,0,0]=4 557 B14R1.148 CC(=O)CCCOC1CCCC(=O)C1 34a_100012613340_100000685027 [0,0,0,1,0,0|3,0,0]=4 558 B14R1.148 NC(=O)CCCOC1CCCC(=O)C1 34a_100012613340_100102525003 [0,0,0,1,0,0|3,0,0]=4 559 B14R1.148 NC(=O)CCOCC1CCCC(=O)N1 34a_200000102386_100000731001 [0,0,0,1,0,0|3,0,0]=4 560 B14R1.340 CC(=O)CCCCOCC1CC(=O)C1 34a_100000101936_100009817362 [0,0,0,1,0,0|3,0,0]=4 561 B14R1.340 CC(=O)CCCCSCC1CC(=O)C1 62a_100000735457_100009874392 [0,0,0,1,0,0|3,0,0]=4 562 B14R1.340 CC(=O)CCCCSCC1CC(=O)C1 62a_100009874392_100000735457 [0,0,0,1,0,0|3,0,0]=4 563 B14R1.340 NC(=O)CCCCCSC1CC(=O)C1 62a_100009894365_100009817443 [0,0,0,1,0,0|3,0,0]=4 564 B14R1.340 NC(=O)CCCCOCC1CC(=O)C1 7a_100012022536_100009874392 [0,0,0,1,0,0|3,0,0]=4 565 B14R1.340 O=C(O)COCCNCC1CC(=O)C1 269956a_100000700818_100009874392 [0,0,0,1,0,0|3,0,0]=4 566 B14R1.814 NC(=O)CC1CCCCN1CC(=O)N 2230a_100015184752_100000747473 [0,0,0,1,0,0|3,0,0]=4 567 B14R1.814 NC(=O)CC1CCCCN1CC(=O)N 269982a_100015184752_100000187820 [0,0,0,1,0,0|3,0,0]=4 568 B14R1.814 NC(=O)CC1CCCCN1CC(=O)N 34a_100015184752_100000187820 [0,0,0,1,0,0|3,0,0]=4 569 B14R1.814 NC(=O)CC1CCCCN1CC(=O)[O-] 269982a_100015184752_100020667443 [0,0,0,1,0,0|2,0,1]=4 570 B14R1.814 NC(=O)CC1CCCCN1CC(=O)[O-] 34a_100015184752_100020667443 [0,0,0,1,0,0|2,0,1]=4 571 B14R1.4522 C=C(C)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730704 [0,0,0,1,0,0|3,0,0]=4 572 B14R1.4522 C=C(C)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000748629 [0,0,0,1,0,0|3,0,0]=4 573 B14R1.4522 C=C(F)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000042424 [0,0,0,1,0,0|3,0,0]=4 574 B14R1.4522 CC(=O)CCN1CCCCC1C(=O)N 269982a_100000181395_100000053229 [0,0,0,1,0,0|3,0,0]=4 575 B14R1.4522 CC(=O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000053229 [0,0,0,1,0,0|2,0,0]=3 576 B14R1.4522 CC(=O)CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000053229 [0,0,0,1,0,0|3,0,0]=4 577 B14R1.4522 CC(=O)CCN1CCSCC1C(=O)O 269956a_100011346106_100000053229 [0,0,0,1,0,0|3,0,0]=4 578 B14R1.4522 CC(=O)CCN1CSCCC1C(=O)O 269956a_100015185162_100000053229 [0,0,0,1,0,0|3,0,0]=4 579 B14R1.4522 CC(=O)OCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000076356 [0,0,0,1,0,0|3,0,0]=4 580 B14R1.4522 CC(O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012276601 [0,0,0,1,0,0|2,0,1]=4 581 B14R1.4522 CC(O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218427 [0,0,0,1,0,0|2,0,1]=4 582 B14R1.4522 C[C@@H](O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009817552 [0,0,0,1,0,0|2,0,1]=4 583 B14R1.4522 NC(=O)CCN1CCCCC1C(=O)N 2230a_100000181395_100000744528 [0,0,0,1,0,0|3,0,0]=4 584 B14R1.4522 NC(=O)CCN1CCCCC1C(=O)N 269982a_100000181395_100000744528 [0,0,0,1,0,0|3,0,0]=4 585 B14R1.4522 NC(=O)CCN1CCCCC1C(=O)N 34a_100000181395_100000731001 [0,0,0,1,0,0|3,0,0]=4 586 B14R1.4522 NC(=O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000744528 [0,0,0,1,0,0|2,0,0]=3 587 B14R1.4522 NC(=O)CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000744528 [0,0,0,1,0,0|3,0,0]=4 588 B14R1.4522 NC(=O)CCN1CCSCC1C(=O)O 269956a_100011346106_100000744528 [0,0,0,1,0,0|3,0,0]=4 589 B14R1.4522 NC(=O)CCN1CSCCC1C(=O)O 269956a_100015185162_100000744528 [0,0,0,1,0,0|3,0,0]=4 590 B14R1.4522 NC(=O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000187820 [0,0,0,1,0,0|2,0,0]=3 591 B14R1.4522 O=C(O)[C@@H]1CCCC[C@H]1NC[N+](=O)[O-] 269956a_100009816435_100000761209 [0,0,0,1,0,0|2,0,1]=4 592 B14R1.4522 O=C([O-])CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100020667443 [0,0,0,1,0,0|1,0,1]=3 593 B14R1.6316 CC(=O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215641 [0,0,0,1,0,0|2,0,0]=3 594 B14R1.6316 CC(=O)CCCN1CCSC1C(=O)O 269956a_100000035718_100011215641 [0,0,0,1,0,0|3,0,0]=4 595 B14R1.6316 CC(=O)CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011215641 [0,0,0,1,0,0|3,0,0]=4 596 B14R1.6316 CC(=O)NCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000189650 [0,0,0,1,0,0|3,0,0]=4 597 B14R1.6316 CC(=O)OCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009814007 [0,0,0,1,0,0|3,0,0]=4 598 B14R1.6316 CC(O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200000718107 [0,0,0,1,0,0|2,0,1]=4 599 B14R1.6316 NC(=O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100102525003 [0,0,0,1,0,0|2,0,0]=3 600 B14R1.6316 NC(=O)CCCN1CCSC1C(=O)O 269956a_100000035718_100102525003 [0,0,0,1,0,0|3,0,0]=4 601 B14R1.6316 NC(=O)CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100102525003 [0,0,0,1,0,0|3,0,0]=4 602 B14R1.6316 NC(=O)NCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200000034859 [0,0,0,1,0,0|3,0,0]=4 603 B14R1.6325 C=C(C)CN1CCCCCC1C(=O)O 269956a_100000758484_100000748629 [0,0,0,1,0,0|3,0,0]=4 604 B14R1.6325 C=C(F)CN1CCCCCC1C(=O)O 269956a_100000758484_100000042424 [0,0,0,1,0,0|3,0,0]=4 605 B14R1.6325 CC(O)CN1CCCCCC1C(=O)O 269956a_100000758484_100011218427 [0,0,0,1,0,0|2,0,1]=4 606 B14R1.6325 C[C@@H](O)CN1CCCCCC1C(=O)O 269956a_100000758484_100009817552 [0,0,0,1,0,0|2,0,1]=4 607 B14R1.6325 NC(=O)CN1CCCCCC1C(=O)O 269956a_100000758484_100000187820 [0,0,0,1,0,0|2,0,0]=3 608 B14R1.6325 O=C(O)C1CCCCCN1C[N+](=O)[O-] 269956a_100000758484_100000761209 [0,0,0,1,0,0|2,0,1]=4 609 B14R1.6325 O=C([O-])CN1CCCCCC1C(=O)O 269956a_100000758484_100020667443 [0,0,0,1,0,0|1,0,1]=3 610 B14R1.6344 CC(=O)CCCCN1CCC1C(=O)O 269956a_100000021838_100000735457 [0,0,0,1,0,0|2,0,0]=3 611 B14R1.6344 CC(=O)OCCCN1CCC1C(=O)O 269956a_100000021838_100000042594 [0,0,0,1,0,0|3,0,0]=4 612 B14R1.6344 CC(=O)SCCCN1CCC1C(=O)O 269956a_100000021838_100000038929 [0,0,0,1,0,0|3,0,0]=4 613 B14R1.6344 NC(=O)COCCN1CCC1C(=O)O 269956a_100000021838_100000076697 [0,0,0,1,0,0|3,0,0]=4 614 B14R1.6344 O=C(O)C1CCN1CCCCB(O)O 269956a_100000021838_200009817182 [0,0,0,1,0,0|2,0,1]=4 615 B12R0.268 CC(=O)CCCCNOCC(=O)O 269956a_100000106656_100000735457 [0,0,0,0,1,0|3,0,0]=4 616 B12R0.268 CC(=O)CCCCOCCC(=O)C 34a_100000759926_100009817362 [0,0,0,0,1,0|3,0,0]=4 617 B12R0.268 CC(=O)CCCCOCCC(=O)C 7a_100000759926_100000735457 [0,0,0,0,1,0|3,0,0]=4 618 B12R0.268 CC(=O)CCCCOCCC(=O)N 34a_100000757172_100009817362 [0,0,0,0,1,0|3,0,0]=4 619 B12R0.268 CC(=O)CCCCOCCC(=O)N 7a_100000757172_100000735457 [0,0,0,0,1,0|3,0,0]=4 620 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000053229_100000735457 [0,0,0,0,1,0|3,0,0]=4 621 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000735457_100000053229 [0,0,0,0,1,0|3,0,0]=4 622 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000735457_100000744528 [0,0,0,0,1,0|3,0,0]=4 623 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000744528_100000735457 [0,0,0,0,1,0|3,0,0]=4 624 B12R0.268 CC(=O)CCCNCCCC(=O)N 34a_100000739312_100000685027 [0,0,0,0,1,0|3,0,0]=4 625 B12R0.268 CC(=O)CCCOCCCC(=O)C 34a_100000759063_100000685027 [0,0,0,0,1,0|3,0,0]=4 626 B12R0.268 CC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215641 [0,0,0,0,1,0|3,0,0]=4 627 B12R0.268 CC(=O)CCCOCCCC(=O)N 34a_100000759063_100102525003 [0,0,0,0,1,0|3,0,0]=4 628 B12R0.268 CC(=O)CCCOCCCC(=O)N 7a_100000759063_100102525003 [0,0,0,0,1,0|3,0,0]=4 629 B12R0.268 CC(=O)CCCSCCCC(=O)C 62a_100011215641_100011215641 [0,0,0,0,1,0|3,0,0]=4 630 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100011215641_100102525003 [0,0,0,0,1,0|3,0,0]=4 631 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100102525003_100011215641 [0,0,0,0,1,0|3,0,0]=4 632 B12R0.268 CC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000053229 [0,0,0,0,1,0|3,0,0]=4 633 B12R0.268 CC(=O)CCOCCCCC(=O)N 7a_100012022536_100000053229 [0,0,0,0,1,0|3,0,0]=4 634 B12R0.268 CC(=O)COCCCCCC(=O)N 34a_100000211253_100009817443 [0,0,0,0,1,0|3,0,0]=4 635 B12R0.268 CC(=O)OCCCCNCC(=O)O 269956a_100016091260_100000033659 [0,0,0,0,1,0|3,0,0]=4 636 B12R0.268 CC(=O)SCCCCNCC(=O)O 269956a_100016091260_200010402107 [0,0,0,0,1,0|3,0,0]=4 637 B12R0.268 NC(=O)CCCCCNCC(=O)N 2230a_100000711301_100009817443 [0,0,0,0,1,0|3,0,0]=4 638 B12R0.268 NC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009817443 [0,0,0,0,1,0|2,0,0]=3 639 B12R0.268 NC(=O)CCCCCOCC(=O)N 34a_100000123541_100000187820 [0,0,0,0,1,0|3,0,0]=4 640 B12R0.268 NC(=O)CCCCCOCC(=O)N 7a_100000123541_100000187820 [0,0,0,0,1,0|3,0,0]=4 641 B12R0.268 NC(=O)CCCCCOCC(=O)[O-] 34a_100000123541_100020667443 [0,0,0,0,1,0|2,0,1]=4 642 B12R0.268 NC(=O)CCCCCSCC(=O)N 62a_100000747473_100009817443 [0,0,0,0,1,0|3,0,0]=4 643 B12R0.268 NC(=O)CCCCCSCC(=O)N 62a_100009817443_100000747473 [0,0,0,0,1,0|3,0,0]=4 644 B12R0.268 NC(=O)CCCCCSCC(=O)[O-] 62a_100009817443_100020667443 [0,0,0,0,1,0|2,0,1]=4 645 B12R0.268 NC(=O)CCCCCSCC(=O)[O-] 62a_100020667443_100009817443 [0,0,0,0,1,0|2,0,1]=4 646 B12R0.268 NC(=O)CCCCNCCC(=O)N 34a_100000696515_100000731001 [0,0,0,0,1,0|3,0,0]=4 647 B12R0.268 NC(=O)CCCCOCCC(=O)N 34a_100012022536_100000731001 [0,0,0,0,1,0|3,0,0]=4 648 B12R0.268 NC(=O)CCCCOCCC(=O)N 7a_100012022536_100000744528 [0,0,0,0,1,0|3,0,0]=4 649 B12R0.268 NC(=O)CCCNCCCC(=O)N 34a_100000739312_100102525003 [0,0,0,0,1,0|3,0,0]=4 650 B12R0.268 NC(=O)CCCSCCCC(=O)N 62a_100102525003_100102525003 [0,0,0,0,1,0|3,0,0]=4 651 B12R0.268 NC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000744528 [0,0,0,0,1,0|3,0,0]=4 652 B12R0.268 NC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000187820 [0,0,0,0,1,0|2,0,1]=4 653 B12R0.268 O=C(O)CNCCCCCB(O)O 269956a_100016091260_200009817188 [0,0,0,0,1,0|2,0,1]=4 654 B14R0.68 CC(=O)CCCCNCCCCC(=O)N 34a_100000696515_100009817362 [0,0,0,0,0,1|2,0,0]=3 655 B14R0.68 CC(=O)CCCCNCCCNC(=O)C 34a_100000736810_100009817362 [0,0,0,0,0,1|3,0,0]=4 656 B14R0.68 CC(=O)CCCCNCCOCC(=O)O 269956a_100000700818_100000735457 [0,0,0,0,0,1|2,0,0]=3 657 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 34a_100012022536_100009817362 [0,0,0,0,0,1|2,0,0]=3 658 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 7a_100012022536_100000735457 [0,0,0,0,0,1|2,0,0]=3 659 B14R0.68 CC(=O)CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100009817362 [0,0,0,0,0,1|2,0,1]=4 660 B14R0.68 CC(=O)CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000735457 [0,0,0,0,0,1|2,0,1]=4 661 B14R0.68 CC(=O)CCCCOCCCNC(=O)C 34a_100000752032_100009817362 [0,0,0,0,0,1|3,0,0]=4 662 B14R0.68 CC(=O)CCCCSCCCCB(O)O 62a_100000735457_200009817182 [0,0,0,0,0,1|2,0,1]=4 663 B14R0.68 CC(=O)CCCCSCCCCB(O)O 62a_200009817182_100000735457 [0,0,0,0,0,1|2,0,1]=4 664 B14R0.68 CC(=O)CCCCSCCCCC(=O)C 62a_100000735457_100000735457 [0,0,0,0,0,1|2,0,0]=3 665 B14R0.68 CC(=O)CCCCSCCCOC(=O)C 62a_100000042594_100000735457 [0,0,0,0,0,1|3,0,0]=4 666 B14R0.68 CC(=O)CCCCSCCCOC(=O)C 62a_100000735457_100000042594 [0,0,0,0,0,1|3,0,0]=4 667 B14R0.68 CC(=O)CCCCSCCCSC(=O)C 62a_100000038929_100000735457 [0,0,0,0,0,1|3,0,0]=4 668 B14R0.68 CC(=O)CCCCSCCCSC(=O)C 62a_100000735457_100000038929 [0,0,0,0,0,1|3,0,0]=4 669 B14R0.68 CC(=O)CCCCSCCOCC(=O)N 62a_100000076697_100000735457 [0,0,0,0,0,1|3,0,0]=4 670 B14R0.68 CC(=O)CCCCSCCOCC(=O)N 62a_100000735457_100000076697 [0,0,0,0,0,1|3,0,0]=4 671 B14R0.68 CC(=O)CCCNCCCCNC(=O)C 34a_200011368371_100000685027 [0,0,0,0,0,1|3,0,0]=4 672 B14R0.68 CC(=O)CCCOCCCCCB(O)O 34a_100000759063_200009817188 [0,0,0,0,0,1|2,0,1]=4 673 B14R0.68 CC(=O)CCCOCCCCCB(O)O 7a_100000759063_200009817188 [0,0,0,0,0,1|2,0,1]=4 674 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000123541_100000685027 [0,0,0,0,0,1|2,0,0]=3 675 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000759063_100009817443 [0,0,0,0,0,1|2,0,0]=3 676 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000123541_100011215641 [0,0,0,0,0,1|2,0,0]=3 677 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000759063_100009817443 [0,0,0,0,0,1|2,0,0]=3 678 B14R0.68 CC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011215641 [0,0,0,0,0,1|1,0,1]=3 679 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 34a_100000073216_100000685027 [0,0,0,0,0,1|3,0,0]=4 680 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 34a_100000759063_100000033659 [0,0,0,0,0,1|3,0,0]=4 681 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 7a_100000073216_100011215641 [0,0,0,0,0,1|3,0,0]=4 682 B14R0.68 CC(=O)CCCOCCCCOC(=O)C 7a_100000759063_100000033659 [0,0,0,0,0,1|3,0,0]=4 683 B14R0.68 CC(=O)CCCOCCCCSC(=O)C 34a_100000759063_200010402107 [0,0,0,0,0,1|3,0,0]=4 684 B14R0.68 CC(=O)CCCOCCCCSC(=O)C 7a_100000759063_200010402107 [0,0,0,0,0,1|3,0,0]=4 685 B14R0.68 CC(=O)CCCSCCCCCB(O)O 62a_100011215641_200009817188 [0,0,0,0,0,1|2,0,1]=4 686 B14R0.68 CC(=O)CCCSCCCCCB(O)O 62a_200009817188_100011215641 [0,0,0,0,0,1|2,0,1]=4 687 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100009817443_100011215641 [0,0,0,0,0,1|2,0,0]=3 688 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100011215641_100009817443 [0,0,0,0,0,1|2,0,0]=3 689 B14R0.68 CC(=O)CCCSCCCCOC(=O)C 62a_100000033659_100011215641 [0,0,0,0,0,1|3,0,0]=4 690 B14R0.68 CC(=O)CCCSCCCCOC(=O)C 62a_100011215641_100000033659 [0,0,0,0,0,1|3,0,0]=4 691 B14R0.68 CC(=O)CCCSCCCCSC(=O)C 62a_100011215641_200010402107 [0,0,0,0,0,1|3,0,0]=4 692 B14R0.68 CC(=O)CCCSCCCCSC(=O)C 62a_200010402107_100011215641 [0,0,0,0,0,1|3,0,0]=4 693 B14R0.68 CC(=O)CCOCCCCCCB(O)O 34a_100000759926_100009817187 [0,0,0,0,0,1|2,0,1]=4 694 B14R0.68 CC(=O)CCOCCCCCCB(O)O 7a_100000759926_100009817187 [0,0,0,0,0,1|2,0,1]=4 695 B14R0.68 CC(=O)CCOCCCCCOC(=O)C 34a_100000759926_100000033007 [0,0,0,0,0,1|3,0,0]=4 696 B14R0.68 CC(=O)CCOCCCCCOC(=O)C 7a_100000759926_100000033007 [0,0,0,0,0,1|3,0,0]=4 697 B14R0.68 CC(=O)CCSCCCCCCB(O)O 62a_100000053229_100009817187 [0,0,0,0,0,1|2,0,1]=4 698 B14R0.68 CC(=O)CCSCCCCCCB(O)O 62a_100009817187_100000053229 [0,0,0,0,0,1|2,0,1]=4 699 B14R0.68 CC(=O)CCSCCCCCOC(=O)C 62a_100000033007_100000053229 [0,0,0,0,0,1|3,0,0]=4 700 B14R0.68 CC(=O)CCSCCCCCOC(=O)C 62a_100000053229_100000033007 [0,0,0,0,0,1|3,0,0]=4 701 B14R0.68 CC(=O)NCCCCCCNCC(=O)N 2230a_200011996284_100000747473 [0,0,0,0,0,1|3,0,0]=4 702 B14R0.68 CC(=O)NCCCCCCNCC(=O)N 34a_200011996284_100000187820 [0,0,0,0,0,1|3,0,0]=4 703 B14R0.68 CC(=O)NCCCCCCNCC(=O)[O-] 34a_200011996284_100020667443 [0,0,0,0,0,1|2,0,1]=4 704 B14R0.68 CC(=O)NCCCCCNCCC(=O)N 2230a_200012022750_100000744528 [0,0,0,0,0,1|3,0,0]=4 705 B14R0.68 CC(=O)NCCCCCNCCC(=O)N 34a_200012022750_100000731001 [0,0,0,0,0,1|3,0,0]=4 706 B14R0.68 CC(=O)NCCCCNCCCC(=O)N 34a_200011368371_100102525003 [0,0,0,0,0,1|3,0,0]=4 707 B14R0.68 CC(=O)NCCNCCCCCC(=O)N 2230a_100000209853_100009817443 [0,0,0,0,0,1|3,0,0]=4 708 B14R0.68 CC(=O)NCCOCCCCCC(=O)N 34a_100000158858_100009817443 [0,0,0,0,0,1|3,0,0]=4 709 B14R0.68 CC(=O)NCCOCCCCCC(=O)N 7a_100000123541_100000189650 [0,0,0,0,0,1|3,0,0]=4 710 B14R0.68 CC(=O)NCCOCCCCCC(=O)[O-] 7a_100102619762_100000189650 [0,0,0,0,0,1|2,0,1]=4 711 B14R0.68 CC(=O)NCCSCCCCCC(=O)N 62a_100000189650_100009817443 [0,0,0,0,0,1|3,0,0]=4 712 B14R0.68 CC(=O)NCCSCCCCCC(=O)N 62a_100009817443_100000189650 [0,0,0,0,0,1|3,0,0]=4 713 B14R0.68 CC(=O)OCCCCCNOCC(=O)O 269956a_100000106656_100000033007 [0,0,0,0,0,1|3,0,0]=4 714 B14R0.68 CC(=O)OCCCCCOCCC(=O)N 34a_100000757172_100000033007 [0,0,0,0,0,1|3,0,0]=4 715 B14R0.68 CC(=O)OCCCCCOCCC(=O)N 7a_100000757172_100000033007 [0,0,0,0,0,1|3,0,0]=4 716 B14R0.68 CC(=O)OCCCCCSCCC(=O)N 62a_100000033007_100000744528 [0,0,0,0,0,1|3,0,0]=4 717 B14R0.68 CC(=O)OCCCCCSCCC(=O)N 62a_100000744528_100000033007 [0,0,0,0,0,1|3,0,0]=4 718 B14R0.68 CC(=O)OCCCCNCCCC(=O)N 34a_100000739312_100000033659 [0,0,0,0,0,1|3,0,0]=4 719 B14R0.68 CC(=O)OCCCCOCCCC(=O)N 34a_100000073216_100102525003 [0,0,0,0,0,1|3,0,0]=4 720 B14R0.68 CC(=O)OCCCCOCCCC(=O)N 7a_100000073216_100102525003 [0,0,0,0,0,1|3,0,0]=4 721 B14R0.68 CC(=O)OCCCCSCCCC(=O)N 62a_100000033659_100102525003 [0,0,0,0,0,1|3,0,0]=4 722 B14R0.68 CC(=O)OCCCCSCCCC(=O)N 62a_100102525003_100000033659 [0,0,0,0,0,1|3,0,0]=4 723 B14R0.68 CC(=O)OCCCNCCCCC(=O)N 34a_100000696515_100000042594 [0,0,0,0,0,1|3,0,0]=4 724 B14R0.68 CC(=O)OCCCNCCOCC(=O)O 269956a_100000700818_100000042594 [0,0,0,0,0,1|3,0,0]=4 725 B14R0.68 CC(=O)OCCCOCCCCC(=O)N 34a_100012022536_100000042594 [0,0,0,0,0,1|3,0,0]=4 726 B14R0.68 CC(=O)OCCCOCCCCC(=O)N 7a_100012022536_100000042594 [0,0,0,0,0,1|3,0,0]=4 727 B14R0.68 CC(=O)OCCOCCCCCC(=O)N 34a_100000123541_100009814007 [0,0,0,0,0,1|3,0,0]=4 728 B14R0.68 CC(=O)OCCOCCCCCC(=O)N 7a_100000123541_100009814007 [0,0,0,0,0,1|3,0,0]=4 729 B14R0.68 CC(=O)OCCOCCCCCC(=O)[O-] 7a_100102619762_100009814007 [0,0,0,0,0,1|2,0,1]=4 730 B14R0.68 CC(=O)OCCSCCCCCC(=O)N 62a_100009814007_100009817443 [0,0,0,0,0,1|3,0,0]=4 731 B14R0.68 CC(=O)OCCSCCCCCC(=O)N 62a_100009817443_100009814007 [0,0,0,0,0,1|3,0,0]=4 732 B14R0.68 CC(=O)SCCCCNCCCC(=O)N 34a_100000739312_200010402107 [0,0,0,0,0,1|3,0,0]=4 733 B14R0.68 CC(=O)SCCCCSCCCC(=O)N 62a_100102525003_200010402107 [0,0,0,0,0,1|3,0,0]=4 734 B14R0.68 CC(=O)SCCCCSCCCC(=O)N 62a_200010402107_100102525003 [0,0,0,0,0,1|3,0,0]=4 735 B14R0.68 CC(=O)SCCCNCCCCC(=O)N 34a_100000696515_100000038929 [0,0,0,0,0,1|3,0,0]=4 736 B14R0.68 CC(=O)SCCCNCCOCC(=O)O 269956a_100000700818_100000038929 [0,0,0,0,0,1|3,0,0]=4 737 B14R0.68 CC(=O)SCCCOCCCCC(=O)N 34a_100012022536_100000038929 [0,0,0,0,0,1|3,0,0]=4 738 B14R0.68 CC(=O)SCCCOCCCCC(=O)N 7a_100012022536_100000038929 [0,0,0,0,0,1|3,0,0]=4 739 B14R0.68 CC(O)CCCOCCCCCC(=O)N 34a_100000123541_200000718107 [0,0,0,0,0,1|2,0,1]=4 740 B14R0.68 CC(O)CCCOCCCCCC(=O)N 7a_100000123541_200000718107 [0,0,0,0,0,1|2,0,1]=4 741 B14R0.68 CC(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_200000718107 [0,0,0,0,0,1|1,0,2]=4 742 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_100009817443_200000718107 [0,0,0,0,0,1|2,0,1]=4 743 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_200000718107_100009817443 [0,0,0,0,0,1|2,0,1]=4 744 B14R0.68 CS(=O)CCCNCCCCCC(=O)N 2230a_200000753449_100009817443 [0,0,0,0,0,1|3,0,0]=4 745 B14R0.68 NC(=O)CCCCCNCCCC(=O)N 34a_100000739312_100009817443 [0,0,0,0,0,1|2,0,0]=3 746 B14R0.68 NC(=O)CCCCCNCCNC(=O)N 34a_100020590234_100009817443 [0,0,0,0,0,1|3,0,0]=4 747 B14R0.68 NC(=O)CCCCCOCCCC(=O)N 34a_100000123541_100102525003 [0,0,0,0,0,1|2,0,0]=3 748 B14R0.68 NC(=O)CCCCCOCCCC(=O)N 7a_100000123541_100102525003 [0,0,0,0,0,1|2,0,0]=3 749 B14R0.68 NC(=O)CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100009817443 [0,0,0,0,0,1|2,0,1]=4 750 B14R0.68 NC(=O)CCCCCOCCNC(=O)N 34a_100000181757_100009817443 [0,0,0,0,0,1|3,0,0]=4 751 B14R0.68 NC(=O)CCCCCOCCNC(=O)N 7a_100000123541_200000034859 [0,0,0,0,0,1|3,0,0]=4 752 B14R0.68 NC(=O)CCCCCOCCOC(=O)N 34a_100000123541_200011214921 [0,0,0,0,0,1|3,0,0]=4 753 B14R0.68 NC(=O)CCCCCOCCOC(=O)N 7a_100000123541_200011214921 [0,0,0,0,0,1|3,0,0]=4 754 B14R0.68 NC(=O)CCCCCOCCOC(=O)N 7a_100000766696_100009817443 [0,0,0,0,0,1|3,0,0]=4 755 B14R0.68 NC(=O)CCCCCSCCCC(=O)N 62a_100009817443_100102525003 [0,0,0,0,0,1|2,0,0]=3 756 B14R0.68 NC(=O)CCCCCSCCCC(=O)N 62a_100102525003_100009817443 [0,0,0,0,0,1|2,0,0]=3 757 B14R0.68 NC(=O)CCCCCSCCNC(=O)N 62a_100009817443_200000034859 [0,0,0,0,0,1|3,0,0]=4 758 B14R0.68 NC(=O)CCCCCSCCNC(=O)N 62a_200000034859_100009817443 [0,0,0,0,0,1|3,0,0]=4 759 B14R0.68 NC(=O)CCCCCSCCOC(=O)N 62a_100009817443_200011214921 [0,0,0,0,0,1|3,0,0]=4 760 B14R0.68 NC(=O)CCCCCSCCOC(=O)N 62a_200011214921_100009817443 [0,0,0,0,0,1|3,0,0]=4 761 B14R0.68 NC(=O)CCCCNCCCCB(O)O 34a_100000696515_200009817182 [0,0,0,0,0,1|2,0,1]=4 762 B14R0.68 NC(=O)CCCCNCCOCC(=O)N 34a_100000696515_100000076697 [0,0,0,0,0,1|3,0,0]=4 763 B14R0.68 NC(=O)CCCCOCCCCB(O)O 34a_100012022536_200009817182 [0,0,0,0,0,1|2,0,1]=4 764 B14R0.68 NC(=O)CCCCOCCCCB(O)O 7a_100012022536_200009817182 [0,0,0,0,0,1|2,0,1]=4 765 B14R0.68 NC(=O)CCCCOCCOCC(=O)N 34a_100012022536_100000076697 [0,0,0,0,0,1|3,0,0]=4 766 B14R0.68 NC(=O)CCCCOCCOCC(=O)N 7a_100012022536_100000076697 [0,0,0,0,0,1|3,0,0]=4 767 B14R0.68 NC(=O)CCCNCCCCCB(O)O 34a_100000739312_200009817188 [0,0,0,0,0,1|2,0,1]=4 768 B14R0.68 NC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100102525003 [0,0,0,0,0,1|1,0,1]=3 769 B14R0.68 NC(=O)CCCSCCCCCB(O)O 62a_100102525003_200009817188 [0,0,0,0,0,1|2,0,1]=4 770 B14R0.68 NC(=O)CCCSCCCCCB(O)O 62a_200009817188_100102525003 [0,0,0,0,0,1|2,0,1]=4 771 B14R0.68 NC(=O)CCOCCCCCCB(O)O 34a_100000757172_100009817187 [0,0,0,0,0,1|2,0,1]=4 772 B14R0.68 NC(=O)CCOCCCCCCB(O)O 7a_100000757172_100009817187 [0,0,0,0,0,1|2,0,1]=4 773 B14R0.68 NC(=O)CCSCCCCCCB(O)O 62a_100000744528_100009817187 [0,0,0,0,0,1|2,0,1]=4 774 B14R0.68 NC(=O)CCSCCCCCCB(O)O 62a_100009817187_100000744528 [0,0,0,0,0,1|2,0,1]=4 775 B14R0.68 NC(=O)CNCCOCCOCC(=O)O 269956a_100009854275_100000187820 [0,0,0,0,0,1|3,0,0]=4 776 B14R0.68 NC(=O)COCCNCCOCC(=O)O 269956a_100000700818_100000076697 [0,0,0,0,0,1|3,0,0]=4 777 B14R0.68 NC(=O)NCCOCCCCCC(=O)[O-] 7a_100102619762_200000034859 [0,0,0,0,0,1|2,0,1]=4 778 B14R0.68 NC(=O)OCCOCCCCCC(=O)[O-] 7a_100102619762_200011214921 [0,0,0,0,0,1|2,0,1]=4 779 B14R0.68 O=C(O)COCCNCCCCB(O)O 269956a_100000700818_200009817182 [0,0,0,0,0,1|2,0,1]=4 780 B14R0.68 O=C(O)CONCCCCCCB(O)O 269956a_100000106656_100009817187 [0,0,0,0,0,1|2,0,1]=4 781 B14R0.68 O=C([O-])CNCCOCCOCC(=O)O 269956a_100009854275_100020667443 [0,0,0,0,0,1|2,0,1]=4 782 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [2,0,0,0,0,0|2,0,0]=4 783 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [2,0,0,0,0,0|2,0,0]=4 784 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [2,0,0,0,0,0|2,0,0]=4 785 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [2,0,0,0,0,0|2,0,0]=4 786 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [2,0,0,0,0,0|2,0,0]=4 787 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [2,0,0,0,0,0|2,0,0]=4 788 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [2,0,0,0,0,0|2,0,0]=4 789 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [2,0,0,0,0,0|2,0,0]=4 790 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [2,0,0,0,0,0|2,0,0]=4 791 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [2,0,0,0,0,0|2,0,0]=4 792 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [2,0,0,0,0,0|2,0,0]=4 793 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [2,0,0,0,0,0|2,0,0]=4 794 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [2,0,0,0,0,0|2,0,0]=4 795 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [2,0,0,0,0,0|2,0,0]=4 796 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [2,0,0,0,0,0|2,0,0]=4 797 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [2,0,0,0,0,0|1,0,1]=4 798 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [2,0,0,0,0,0|1,0,1]=4 799 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [2,0,0,0,0,0|1,0,1]=4 800 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [2,0,0,0,0,0|1,0,0]=3 801 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [2,0,0,0,0,0|1,0,0]=3 802 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [2,0,0,0,0,0|1,0,1]=4 803 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [2,0,0,0,0,0|1,0,1]=4 804 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [2,0,0,0,0,0|1,0,1]=4 805 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [2,0,0,0,0,0|1,0,1]=4 806 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [2,0,0,0,0,0|1,0,1]=4 807 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [2,0,0,0,0,0|1,0,1]=4 808 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [2,0,0,0,0,0|1,0,1]=4 809 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [2,0,0,0,0,0|1,0,1]=4 810 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [2,0,0,0,0,0|1,0,1]=4 811 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [2,0,0,0,0,0|1,0,1]=4 812 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [2,0,0,0,0,0|1,0,1]=4 813 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [2,0,0,0,0,0|1,0,1]=4 814 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [2,0,0,0,0,0|1,0,1]=4 815 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [2,0,0,0,0,0|1,0,0]=3 816 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [2,0,0,0,0,0|2,0,0]=4 817 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [2,0,0,0,0,0|2,0,0]=4 818 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [2,0,0,0,0,0|2,0,0]=4 819 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [2,0,0,0,0,0|2,0,0]=4 820 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [2,0,0,0,0,0|2,0,0]=4 821 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [2,0,0,0,0,0|2,0,0]=4 822 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [2,0,0,0,0,0|2,0,0]=4 823 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [2,0,0,0,0,0|2,0,0]=4 824 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [2,0,0,0,0,0|2,0,0]=4 825 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [2,0,0,0,0,0|2,0,0]=4 826 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [2,0,0,0,0,0|2,0,0]=4 827 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [2,0,0,0,0,0|2,0,0]=4 828 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [2,0,0,0,0,0|2,0,0]=4 829 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [2,0,0,0,0,0|2,0,0]=4 830 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [2,0,0,0,0,0|2,0,0]=4 831 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [2,0,0,0,0,0|2,0,0]=4 832 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [2,0,0,0,0,0|2,0,0]=4 833 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [2,0,0,0,0,0|2,0,0]=4 834 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [2,0,0,0,0,0|2,0,0]=4 835 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [2,0,0,0,0,0|1,0,1]=4 836 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [2,0,0,0,0,0|1,0,1]=4 837 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [2,0,0,0,0,0|1,0,1]=4 838 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [2,0,0,0,0,0|1,0,1]=4 839 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [2,0,0,0,0,0|2,0,0]=4 840 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [2,0,0,0,0,0|2,0,0]=4 841 B11R0.148 NC(=O)CCCCCOCC=O 34a_100000123541_200009817547 [2,0,0,0,0,0|2,0,0]=4 842 B11R0.148 NC(=O)CCCCCOCC=O 7a_100000123541_200015260668 [2,0,0,0,0,0|2,0,0]=4 843 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [2,0,0,0,0,0|2,0,0]=4 844 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [2,0,0,0,0,0|2,0,0]=4 845 B11R0.148 NC(=O)CCCCCSCC=O 62a_100009817443_200015260668 [2,0,0,0,0,0|2,0,0]=4 846 B11R0.148 NC(=O)CCCCCSCC=O 62a_200015260668_100009817443 [2,0,0,0,0,0|2,0,0]=4 847 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [2,0,0,0,0,0|2,0,0]=4 848 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [2,0,0,0,0,0|2,0,0]=4 849 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [2,0,0,0,0,0|2,0,0]=4 850 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [2,0,0,0,0,0|2,0,0]=4 851 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [2,0,0,0,0,0|2,0,0]=4 852 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [2,0,0,0,0,0|2,0,0]=4 853 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [2,0,0,0,0,0|2,0,0]=4 854 B11R0.148 NC(=O)CCCSCCCC=O 62a_100102525003_200011292268 [2,0,0,0,0,0|2,0,0]=4 855 B11R0.148 NC(=O)CCCSCCCC=O 62a_200011292268_100102525003 [2,0,0,0,0,0|2,0,0]=4 856 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [2,0,0,0,0,0|2,0,0]=4 857 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [2,0,0,0,0,0|2,0,0]=4 858 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [2,0,0,0,0,0|2,0,0]=4 859 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [2,0,0,0,0,0|2,0,0]=4 860 B11R0.148 NC(=O)CCOCCCCC=O 7a_100000757172_100000139335 [2,0,0,0,0,0|2,0,0]=4 861 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [2,0,0,0,0,0|2,0,0]=4 862 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [2,0,0,0,0,0|2,0,0]=4 863 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000139335_100000744528 [2,0,0,0,0,0|2,0,0]=4 864 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000744528_100000139335 [2,0,0,0,0,0|2,0,0]=4 865 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [2,0,0,0,0,0|2,0,0]=4 866 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [2,0,0,0,0,0|2,0,0]=4 867 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [2,0,0,0,0,0|2,0,0]=4 868 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [2,0,0,0,0,0|2,0,0]=4 869 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [2,0,0,0,0,0|2,0,0]=4 870 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [2,0,0,0,0,0|2,0,0]=4 871 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000139337_100000747473 [2,0,0,0,0,0|2,0,0]=4 872 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000747473_100000139337 [2,0,0,0,0,0|2,0,0]=4 873 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [2,0,0,0,0,0|2,0,0]=4 874 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [2,0,0,0,0,0|2,0,0]=4 875 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [2,0,0,0,0,0|2,0,0]=4 876 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [2,0,0,0,0,0|1,0,0]=3 877 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [2,0,0,0,0,0|2,0,0]=4 878 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [2,0,0,0,0,0|2,0,0]=4 879 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [2,0,0,0,0,0|1,0,1]=4 880 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [2,0,0,0,0,0|1,0,1]=4 881 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [2,0,0,0,0,0|1,0,1]=4 882 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [2,0,0,0,0,0|1,0,1]=4 883 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [2,0,0,0,0,0|1,0,0]=3 884 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100000139337_100020667443 [2,0,0,0,0,0|1,0,1]=4 885 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100020667443_100000139337 [2,0,0,0,0,0|1,0,1]=4 886 B11R0.148 O=CCCCCNOCC(=O)O 269956a_100000106656_100000139335 [2,0,0,0,0,0|2,0,0]=4 887 B11R0.148 O=CCOCCCCCC(=O)[O-] 7a_100102619762_200015260668 [2,0,0,0,0,0|1,0,1]=4 888 B13R0.1 C=CCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215482 [1,1,0,0,0,0|2,0,0]=4 889 B13R0.1 CC(CCCC(=O)[O-])OCCCC=O 7a_100000761597_200011292268 [1,1,0,0,0,0|1,0,1]=4 890 B13R0.1 CN(CCCCC=O)CCCC(=O)O 269956a_100000719178_100000139335 [1,1,0,0,0,0|1,0,0]=3 891 B13R0.1 CN(CCCCCO)CCCC(=O)O 269956a_100000719178_100000746330 [1,1,0,0,0,0|1,0,1]=4 892 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [1,1,0,0,0,0|1,0,1]=4 893 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [1,1,0,0,0,0|2,0,0]=4 894 B13R0.54 C=CCCCCCCCNCC(=O)N 2230a_100000711301_100012355270 [1,1,0,0,0,0|2,0,0]=4 895 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [1,1,0,0,0,0|1,0,0]=3 896 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [1,1,0,0,0,0|2,0,0]=4 897 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [1,1,0,0,0,0|2,0,0]=4 898 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [1,1,0,0,0,0|2,0,0]=4 899 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [1,1,0,0,0,0|1,0,1]=4 900 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100000747473_100012355270 [1,1,0,0,0,0|2,0,0]=4 901 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100012355270_100000747473 [1,1,0,0,0,0|2,0,0]=4 902 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100012355270_100020667443 [1,1,0,0,0,0|1,0,1]=4 903 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100020667443_100012355270 [1,1,0,0,0,0|1,0,1]=4 904 B13R0.54 C=CCCCCCCNOCC(=O)O 269956a_100000106656_100011215473 [1,1,0,0,0,0|2,0,0]=4 905 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [1,1,0,0,0,0|2,0,0]=4 906 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [1,1,0,0,0,0|2,0,0]=4 907 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [1,1,0,0,0,0|2,0,0]=4 908 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_100000757172_100011215473 [1,1,0,0,0,0|2,0,0]=4 909 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_200011216477_100000731001 [1,1,0,0,0,0|2,0,0]=4 910 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_100000757172_100011215473 [1,1,0,0,0,0|2,0,0]=4 911 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_200011216477_100000744528 [1,1,0,0,0,0|2,0,0]=4 912 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [1,1,0,0,0,0|2,0,0]=4 913 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [1,1,0,0,0,0|2,0,0]=4 914 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100000744528_100011215473 [1,1,0,0,0,0|2,0,0]=4 915 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100011215473_100000744528 [1,1,0,0,0,0|2,0,0]=4 916 B13R0.54 C=CCCCCCNCCCC(=O)N 34a_100000739312_100000700193 [1,1,0,0,0,0|2,0,0]=4 917 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [1,1,0,0,0,0|2,0,0]=4 918 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [1,1,0,0,0,0|2,0,0]=4 919 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [1,1,0,0,0,0|2,0,0]=4 920 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [1,1,0,0,0,0|2,0,0]=4 921 B13R0.54 C=CCCCCCOCCCC(=O)N 34a_100011216702_100102525003 [1,1,0,0,0,0|2,0,0]=4 922 B13R0.54 C=CCCCCCOCCCC(=O)N 7a_100011216702_100102525003 [1,1,0,0,0,0|2,0,0]=4 923 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [1,1,0,0,0,0|2,0,0]=4 924 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [1,1,0,0,0,0|2,0,0]=4 925 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100000700193_100102525003 [1,1,0,0,0,0|2,0,0]=4 926 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100102525003_100000700193 [1,1,0,0,0,0|2,0,0]=4 927 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [1,1,0,0,0,0|2,0,0]=4 928 B13R0.54 C=CCCCCNCCCCC(=O)N 34a_100000696515_100011215482 [1,1,0,0,0,0|2,0,0]=4 929 B13R0.54 C=CCCCCNCCOCC(=O)O 269956a_100000700818_100011215482 [1,1,0,0,0,0|2,0,0]=4 930 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [1,1,0,0,0,0|2,0,0]=4 931 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [1,1,0,0,0,0|2,0,0]=4 932 B13R0.54 C=CCCCCOCCCCC(=O)N 34a_100012022536_100011215482 [1,1,0,0,0,0|2,0,0]=4 933 B13R0.54 C=CCCCCOCCCCC(=O)N 7a_100012022536_100011215482 [1,1,0,0,0,0|2,0,0]=4 934 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [1,1,0,0,0,0|2,0,0]=4 935 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [1,1,0,0,0,0|2,0,0]=4 936 B13R0.54 C=CCCCNCCCCCC(=O)N 2230a_100000700776_100009817443 [1,1,0,0,0,0|2,0,0]=4 937 B13R0.54 C=CCCCNCCCCCC(=O)N 34a_100000700776_100009817443 [1,1,0,0,0,0|2,0,0]=4 938 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000123541_100000757094 [1,1,0,0,0,0|2,0,0]=4 939 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000758997_100009817443 [1,1,0,0,0,0|2,0,0]=4 940 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000123541_100000757094 [1,1,0,0,0,0|2,0,0]=4 941 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000758997_100009817443 [1,1,0,0,0,0|2,0,0]=4 942 B13R0.54 C=CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000757094 [1,1,0,0,0,0|1,0,1]=4 943 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100009817443_100000757094 [1,1,0,0,0,0|2,0,0]=4 944 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100011713584_100009817443 [1,1,0,0,0,0|2,0,0]=4 945 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [1,1,0,0,0,0|1,0,1]=4 946 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [1,1,0,0,0,0|1,0,1]=4 947 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [1,1,0,0,0,0|1,0,0]=3 948 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [1,1,0,0,0,0|1,0,0]=3 949 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [1,1,0,0,0,0|1,0,1]=4 950 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [1,1,0,0,0,0|1,0,1]=4 951 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [1,1,0,0,0,0|1,0,1]=4 952 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [1,1,0,0,0,0|1,0,0]=3 953 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [1,1,0,0,0,0|1,0,1]=4 954 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [1,1,0,0,0,0|1,0,1]=4 955 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [1,1,0,0,0,0|1,0,0]=3 956 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [1,1,0,0,0,0|1,0,0]=3 957 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [1,1,0,0,0,0|1,0,1]=4 958 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [1,1,0,0,0,0|1,0,1]=4 959 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [1,1,0,0,0,0|1,0,1]=4 960 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [1,1,0,0,0,0|1,0,1]=4 961 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [1,1,0,0,0,0|1,0,1]=4 962 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [1,1,0,0,0,0|1,0,1]=4 963 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [1,1,0,0,0,0|1,0,1]=4 964 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [1,1,0,0,0,0|1,0,1]=4 965 B13R0.54 CC(=O)NCCCCCCNCC=O 2230a_200011996284_200015260668 [1,1,0,0,0,0|2,0,0]=4 966 B13R0.54 CC(=O)NCCCCCCNCC=O 34a_200011996284_200009817547 [1,1,0,0,0,0|2,0,0]=4 967 B13R0.54 CC(=O)NCCCCNCCCC=O 2230a_200011368371_200011292268 [1,1,0,0,0,0|2,0,0]=4 968 B13R0.54 CC(=O)NCCNCCCCCC=O 2230a_100000209853_100000139337 [1,1,0,0,0,0|2,0,0]=4 969 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000139337_100000189650 [1,1,0,0,0,0|2,0,0]=4 970 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000189650_100000139337 [1,1,0,0,0,0|2,0,0]=4 971 B13R0.54 CC(=O)OCCCCOCCCC=O 7a_100000073216_200011292268 [1,1,0,0,0,0|2,0,0]=4 972 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_100000033659_200011292268 [1,1,0,0,0,0|2,0,0]=4 973 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_200011292268_100000033659 [1,1,0,0,0,0|2,0,0]=4 974 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000042594_100000139335 [1,1,0,0,0,0|2,0,0]=4 975 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000139335_100000042594 [1,1,0,0,0,0|2,0,0]=4 976 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100000139337_100009814007 [1,1,0,0,0,0|2,0,0]=4 977 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100009814007_100000139337 [1,1,0,0,0,0|2,0,0]=4 978 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200010402107_200011292268 [1,1,0,0,0,0|2,0,0]=4 979 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200011292268_200010402107 [1,1,0,0,0,0|2,0,0]=4 980 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000038929_100000139335 [1,1,0,0,0,0|2,0,0]=4 981 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000139335_100000038929 [1,1,0,0,0,0|2,0,0]=4 982 B13R0.54 CC(O)CCCSCCCCCC=O 62a_100000139337_200000718107 [1,1,0,0,0,0|1,0,1]=4 983 B13R0.54 CC(O)CCCSCCCCCC=O 62a_200000718107_100000139337 [1,1,0,0,0,0|1,0,1]=4 984 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [1,1,0,0,0,0|1,0,1]=4 985 B13R0.54 CS(=O)CCCNCCCCCC=O 2230a_200000753449_100000139337 [1,1,0,0,0,0|2,0,0]=4 986 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [1,1,0,0,0,0|1,0,1]=4 987 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [1,1,0,0,0,0|1,0,1]=4 988 B13R0.54 NC(=O)CCCCCOCCCC=O 7a_100000123541_200011292268 [1,1,0,0,0,0|1,0,0]=3 989 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [1,1,0,0,0,0|1,0,1]=4 990 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [1,1,0,0,0,0|1,0,1]=4 991 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_100009817443_200011292268 [1,1,0,0,0,0|1,0,0]=3 992 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_200011292268_100009817443 [1,1,0,0,0,0|1,0,0]=3 993 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [1,1,0,0,0,0|1,0,1]=4 994 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [1,1,0,0,0,0|1,0,1]=4 995 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [1,1,0,0,0,0|1,0,1]=4 996 B13R0.54 NC(=O)CCCCOCCCCC=O 7a_100012022536_100000139335 [1,1,0,0,0,0|1,0,0]=3 997 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [1,1,0,0,0,0|1,0,1]=4 998 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [1,1,0,0,0,0|1,0,1]=4 999 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [1,1,0,0,0,0|1,0,1]=4 1000 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [1,1,0,0,0,0|1,0,1]=4 1001 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100000139337_100102525003 [1,1,0,0,0,0|1,0,0]=3 1002 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100102525003_100000139337 [1,1,0,0,0,0|1,0,0]=3 1003 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [1,1,0,0,0,0|1,0,1]=4 1004 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [1,1,0,0,0,0|1,0,1]=4 1005 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [1,1,0,0,0,0|1,0,1]=4 1006 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [1,1,0,0,0,0|1,0,1]=4 1007 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [1,1,0,0,0,0|1,0,1]=4 1008 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [1,1,0,0,0,0|1,0,1]=4 1009 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [1,1,0,0,0,0|1,0,1]=4 1010 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [1,1,0,0,0,0|1,0,1]=4 1011 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [1,1,0,0,0,0|1,0,1]=4 1012 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [1,1,0,0,0,0|1,0,1]=4 1013 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [1,1,0,0,0,0|1,0,1]=4 1014 B13R0.54 NC(=O)COCCSCCCCC=O 62a_100000076697_100000139335 [1,1,0,0,0,0|2,0,0]=4 1015 B13R0.54 NC(=O)COCCSCCCCC=O 62a_100000139335_100000076697 [1,1,0,0,0,0|2,0,0]=4 1016 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [1,1,0,0,0,0|1,0,1]=4 1017 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [1,1,0,0,0,0|1,0,1]=4 1018 B13R0.54 NC(=O)NCCSCCCCCC=O 62a_100000139337_200000034859 [1,1,0,0,0,0|2,0,0]=4 1019 B13R0.54 NC(=O)NCCSCCCCCC=O 62a_200000034859_100000139337 [1,1,0,0,0,0|2,0,0]=4 1020 B13R0.54 NC(=O)OCCOCCCCCC=O 7a_100000766696_100000139337 [1,1,0,0,0,0|2,0,0]=4 1021 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_100000139337_200011214921 [1,1,0,0,0,0|2,0,0]=4 1022 B13R0.54 NC(=O)OCCSCCCCCC=O 62a_200011214921_100000139337 [1,1,0,0,0,0|2,0,0]=4 1023 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [1,1,0,0,0,0|0,0,1]=3 1024 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [1,1,0,0,0,0|1,0,1]=4 1025 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [1,1,0,0,0,0|1,0,1]=4 1026 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [1,1,0,0,0,0|0,0,2]=4 1027 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [1,1,0,0,0,0|0,0,2]=4 1028 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [1,1,0,0,0,0|0,0,2]=4 1029 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [1,1,0,0,0,0|0,0,2]=4 1030 B13R0.54 O=CCCCCNCCOCC(=O)O 269956a_100000700818_100000139335 [1,1,0,0,0,0|1,0,0]=3 1031 B13R0.54 O=CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000139335 [1,1,0,0,0,0|1,0,1]=4 1032 B13R0.54 O=CCCCCSCCCCB(O)O 62a_100000139335_200009817182 [1,1,0,0,0,0|1,0,1]=4 1033 B13R0.54 O=CCCCCSCCCCB(O)O 62a_200009817182_100000139335 [1,1,0,0,0,0|1,0,1]=4 1034 B13R0.54 O=CCCCOCCCCCC(=O)[O-] 7a_100102619762_200011292268 [1,1,0,0,0,0|0,0,1]=3 1035 B13R0.54 O=CCCCSCCCCCB(O)O 62a_200009817188_200011292268 [1,1,0,0,0,0|1,0,1]=4 1036 B13R0.54 O=CCCCSCCCCCB(O)O 62a_200011292268_200009817188 [1,1,0,0,0,0|1,0,1]=4 1037 B13R0.54 O=CCNCCOCCOCC(=O)O 269956a_100009854275_200015260668 [1,1,0,0,0,0|2,0,0]=4 1038 B13R0.147 C#CC(=O)CCCCCCCCC=C 1458a_100000211873_100011933949 [1,1,0,0,0,0|2,0,0]=4 1039 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [1,1,0,0,0,0|1,0,1]=4 1040 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [1,1,0,0,0,0|1,0,1]=4 1041 B13R0.147 C=CCCCCCCCCC(=O)C=C 1458a_100000185746_100011933949 [1,1,0,0,0,0|2,0,0]=4 1042 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [1,1,0,0,0,0|2,0,0]=4 1043 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [1,1,0,0,0,0|2,0,0]=4 1044 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [1,1,0,0,0,0|2,0,0]=4 1045 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [1,1,0,0,0,0|1,0,0]=3 1046 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [1,1,0,0,0,0|2,0,0]=4 1047 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [1,1,0,0,0,0|2,0,0]=4 1048 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [1,1,0,0,0,0|2,0,0]=4 1049 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [1,1,0,0,0,0|2,0,0]=4 1050 B13R0.147 C=CCCCCCCOCC(=O)OC 34a_200011216477_100000747449 [1,1,0,0,0,0|2,0,0]=4 1051 B13R0.147 C=CCCCCCCOCC(=O)OC 7a_200011216477_100000747449 [1,1,0,0,0,0|2,0,0]=4 1052 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100000747449_100011215473 [1,1,0,0,0,0|2,0,0]=4 1053 B13R0.147 C=CCCCCCCSCC(=O)OC 62a_100011215473_100000747449 [1,1,0,0,0,0|2,0,0]=4 1054 B13R0.147 C=CCCCCCOCCC(=O)OC 34a_100011216702_100000742370 [1,1,0,0,0,0|2,0,0]=4 1055 B13R0.147 C=CCCCCCOCCC(=O)OC 7a_100011216702_100000204255 [1,1,0,0,0,0|2,0,0]=4 1056 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000204255_100000700193 [1,1,0,0,0,0|2,0,0]=4 1057 B13R0.147 C=CCCCCCSCCC(=O)OC 62a_100000700193_100000204255 [1,1,0,0,0,0|2,0,0]=4 1058 B13R0.147 C=CCCCCNCCCC(=O)OC 2230a_100000703577_100011218270 [1,1,0,0,0,0|2,0,0]=4 1059 B13R0.147 C=CCCCCNCCCC(=O)OC 34a_100000703577_100000742333 [1,1,0,0,0,0|2,0,0]=4 1060 B13R0.147 C=CCCCCOCCCC(=O)OC 34a_100000766645_100000742333 [1,1,0,0,0,0|2,0,0]=4 1061 B13R0.147 C=CCCCCOCCCC(=O)OC 7a_100000766645_100011218270 [1,1,0,0,0,0|2,0,0]=4 1062 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011215482_100011218270 [1,1,0,0,0,0|2,0,0]=4 1063 B13R0.147 C=CCCCCSCCCC(=O)OC 62a_100011218270_100011215482 [1,1,0,0,0,0|2,0,0]=4 1064 B13R0.147 C=CCCCNCCCCC(=O)OC 2230a_100000700776_100000204269 [1,1,0,0,0,0|2,0,0]=4 1065 B13R0.147 C=CCCCNCCCCC(=O)OC 34a_100000700776_100000204269 [1,1,0,0,0,0|2,0,0]=4 1066 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000059025_100000757094 [1,1,0,0,0,0|2,0,0]=4 1067 B13R0.147 C=CCCCOCCCCC(=O)OC 34a_100000758997_100000204269 [1,1,0,0,0,0|2,0,0]=4 1068 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000059025_100000757094 [1,1,0,0,0,0|2,0,0]=4 1069 B13R0.147 C=CCCCOCCCCC(=O)OC 7a_100000758997_100000204269 [1,1,0,0,0,0|2,0,0]=4 1070 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100000204269_100000757094 [1,1,0,0,0,0|2,0,0]=4 1071 B13R0.147 C=CCCCSCCCCC(=O)OC 62a_100011713584_100000204269 [1,1,0,0,0,0|2,0,0]=4 1072 B13R0.147 C=CCCNCCCCCC(=O)OC 2230a_100015191253_100009816466 [1,1,0,0,0,0|2,0,0]=4 1073 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100000074720_100000754431 [1,1,0,0,0,0|2,0,0]=4 1074 B13R0.147 C=CCCOCCCCCC(=O)OC 34a_100011205117_100009816466 [1,1,0,0,0,0|2,0,0]=4 1075 B13R0.147 C=CCCOCCCCCC(=O)OC 7a_100000074720_100000754431 [1,1,0,0,0,0|2,0,0]=4 1076 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100000754431_100009816466 [1,1,0,0,0,0|2,0,0]=4 1077 B13R0.147 C=CCCSCCCCCC(=O)OC 62a_100009816466_100000754431 [1,1,0,0,0,0|2,0,0]=4 1078 B13R0.147 C=CCNCCCCCCC(=O)OC 2230a_100020586998_100009815986 [1,1,0,0,0,0|2,0,0]=4 1079 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_100009863599_100015514636 [1,1,0,0,0,0|2,0,0]=4 1080 B13R0.147 C=CCOCCCCCCC(=O)OC 34a_200000210373_100009815986 [1,1,0,0,0,0|2,0,0]=4 1081 B13R0.147 C=CCOCCCCCCC(=O)OC 7a_100009863599_100015514636 [1,1,0,0,0,0|2,0,0]=4 1082 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100000210623_100009815986 [1,1,0,0,0,0|2,0,0]=4 1083 B13R0.147 C=CCSCCCCCCC(=O)OC 62a_100009815986_100000210623 [1,1,0,0,0,0|2,0,0]=4 1084 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [1,1,0,0,0,0|1,0,1]=4 1085 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [1,1,0,0,0,0|1,0,1]=4 1086 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [1,1,0,0,0,0|1,0,1]=4 1087 B13R0.147 CNC(=O)CCCNCCCCC=O 2230a_100000740002_100000139335 [1,1,0,0,0,0|2,0,0]=4 1088 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000139335_100000741757 [1,1,0,0,0,0|2,0,0]=4 1089 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000741757_100000139335 [1,1,0,0,0,0|2,0,0]=4 1090 B13R0.147 CNC(=O)CCNCCCCCC=O 2230a_100000738227_100000139337 [1,1,0,0,0,0|2,0,0]=4 1091 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000139337_100000737683 [1,1,0,0,0,0|2,0,0]=4 1092 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000737683_100000139337 [1,1,0,0,0,0|2,0,0]=4 1093 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [1,1,0,0,0,0|2,0,0]=4 1094 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [1,1,0,0,0,0|2,0,0]=4 1095 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [1,1,0,0,0,0|2,0,0]=4 1096 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [1,1,0,0,0,0|2,0,0]=4 1097 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [1,1,0,0,0,0|2,0,0]=4 1098 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [1,1,0,0,0,0|2,0,0]=4 1099 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [1,1,0,0,0,0|2,0,0]=4 1100 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [1,1,0,0,0,0|2,0,0]=4 1101 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [1,1,0,0,0,0|2,0,0]=4 1102 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [1,1,0,0,0,0|1,0,1]=4 1103 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [1,1,0,0,0,0|1,0,1]=4 1104 B13R0.147 COC(=O)CCCCCCOCC=O 34a_100009863599_200009817547 [1,1,0,0,0,0|1,0,0]=3 1105 B13R0.147 COC(=O)CCCCCCOCC=O 7a_100009863599_200015260668 [1,1,0,0,0,0|1,0,0]=3 1106 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [1,1,0,0,0,0|1,0,1]=4 1107 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [1,1,0,0,0,0|1,0,1]=4 1108 B13R0.147 COC(=O)CCCCCCSCC=O 62a_100009815986_200015260668 [1,1,0,0,0,0|1,0,0]=3 1109 B13R0.147 COC(=O)CCCCCCSCC=O 62a_200015260668_100009815986 [1,1,0,0,0,0|1,0,0]=3 1110 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [1,1,0,0,0,0|1,0,1]=4 1111 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [1,1,0,0,0,0|1,0,1]=4 1112 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [1,1,0,0,0,0|1,0,1]=4 1113 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [1,1,0,0,0,0|1,0,1]=4 1114 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [1,1,0,0,0,0|1,0,1]=4 1115 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [1,1,0,0,0,0|1,0,1]=4 1116 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [1,1,0,0,0,0|1,0,1]=4 1117 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [1,1,0,0,0,0|1,0,1]=4 1118 B13R0.147 COC(=O)CCCCOCCCC=O 7a_100000059025_200011292268 [1,1,0,0,0,0|1,0,0]=3 1119 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [1,1,0,0,0,0|1,0,1]=4 1120 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [1,1,0,0,0,0|1,0,1]=4 1121 B13R0.147 COC(=O)CCCCSCCCC=O 62a_100000204269_200011292268 [1,1,0,0,0,0|1,0,0]=3 1122 B13R0.147 COC(=O)CCCCSCCCC=O 62a_200011292268_100000204269 [1,1,0,0,0,0|1,0,0]=3 1123 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [1,1,0,0,0,0|1,0,1]=4 1124 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [1,1,0,0,0,0|1,0,1]=4 1125 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [1,1,0,0,0,0|1,0,1]=4 1126 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [1,1,0,0,0,0|1,0,1]=4 1127 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100000139335_100011218270 [1,1,0,0,0,0|1,0,0]=3 1128 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100011218270_100000139335 [1,1,0,0,0,0|1,0,0]=3 1129 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [1,1,0,0,0,0|1,0,1]=4 1130 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [1,1,0,0,0,0|1,0,1]=4 1131 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [1,1,0,0,0,0|1,0,1]=4 1132 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [1,1,0,0,0,0|1,0,1]=4 1133 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000139337_100000204255 [1,1,0,0,0,0|1,0,0]=3 1134 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000204255_100000139337 [1,1,0,0,0,0|1,0,0]=3 1135 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [1,1,0,0,0,0|1,0,1]=4 1136 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [1,1,0,0,0,0|1,0,1]=4 1137 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [1,1,0,0,0,0|1,0,1]=4 1138 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [1,1,0,0,0,0|1,0,1]=4 1139 B13R0.147 COC(=O)COCCSCCCC=O 62a_100000090808_200011292268 [1,1,0,0,0,0|2,0,0]=4 1140 B13R0.147 COC(=O)COCCSCCCC=O 62a_200011292268_100000090808 [1,1,0,0,0,0|2,0,0]=4 1141 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [1,1,0,0,0,0|1,0,1]=4 1142 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [1,1,0,0,0,0|1,0,1]=4 1143 B13R0.147 COC(=O)OCSCCCCCC=O 62a_100000139337_100000139417 [1,1,0,0,0,0|2,0,0]=4 1144 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [1,1,0,0,0,0|2,0,0]=4 1145 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [1,1,0,0,0,0|2,0,0]=4 1146 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [1,1,0,0,0,0|2,0,0]=4 1147 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [1,1,0,0,0,0|0,0,1]=3 1148 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [1,1,0,0,0,0|1,0,1]=4 1149 B13R0.150 C=CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215473 [1,1,0,0,0,0|2,0,0]=4 1150 B13R0.150 C=CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000700193 [1,1,0,0,0,0|2,0,0]=4 1151 B13R0.150 C=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000700193 [1,1,0,0,0,0|2,0,0]=4 1152 B13R0.150 CC(=O)C(C)COCCCCCC=O 7a_100000032740_100000139337 [1,1,0,0,0,0|2,0,0]=4 1153 B13R0.150 CC(CNCCCCCC=O)C(=O)O 269956a_100000749485_100000139337 [1,1,0,0,0,0|1,0,0]=3 1154 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [1,1,0,0,0,0|1,0,1]=4 1155 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [1,1,0,0,0,0|1,0,1]=4 1156 B13R0.150 O=C(O)C(F)CNCCCCCCO 269956a_100000084737_100000766143 [1,1,0,0,0,0|1,0,1]=4 1157 B13R0.150 O=CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000139337 [1,1,0,0,0,0|1,0,0]=3 1158 B13R0.154 CN(CCCCCC=O)CCC(=O)N 2230a_100000730477_100000139337 [1,1,0,0,0,0|2,0,0]=4 1159 B13R0.335 C=CCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215473 [1,1,0,0,0,0|2,0,0]=4 1160 B13R0.335 C=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215482 [1,1,0,0,0,0|2,0,0]=4 1161 B13R0.335 CN(CCCCCCCO)CC(=O)O 269956a_100000746989_100000760002 [1,1,0,0,0,0|1,0,1]=4 1162 B13R0.335 O=C(O)CC(O)CNCCCCCO 269956a_100011218706_100000746330 [1,1,0,0,0,0|1,0,1]=4 1163 B13R0.335 O=CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000139335 [1,1,0,0,0,0|1,0,0]=3 1164 B13R0.178 CC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100011215641 [0,1,0,0,1,0|2,0,0]=4 1165 B13R0.178 CN(CCCCCC(=O)N)CC(=O)O 269956a_100000746989_100009817443 [0,1,0,0,1,0|2,0,0]=4 1166 B13R0.178 NC(=O)CCCNCC(O)CC(=O)O 269956a_100011218706_100102525003 [0,1,0,0,1,0|2,0,0]=4 1167 B13R0.180 CC(=O)CCCCNCC(C)C(=O)O 269956a_100000749485_100000735457 [0,1,0,0,1,0|2,0,0]=4 1168 B13R0.180 CC(=O)CCCCNCC(F)C(=O)O 269956a_100000084737_100000735457 [0,1,0,0,1,0|2,0,0]=4 1169 B13R0.180 C[C@H](NCCCCCC(=O)N)C(=O)O 269956a_100000743915_100009817443 [0,1,0,0,1,0|2,0,0]=4 1170 B13R0.1398 CC(=O)CCCN(C)CCCC(=O)O 269956a_100000719178_100011215641 [0,1,0,0,1,0|2,0,0]=4 1171 B13R0.1398 CN(CCCC(=O)N)CCCC(=O)O 269956a_100000719178_100102525003 [0,1,0,0,1,0|2,0,0]=4 1172 B15R0.221 CC(=O)CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000735457 [0,1,0,0,0,1|1,0,1]=4 1173 B15R0.221 CC(=O)OCCCCN(C)CCCC(=O)O 269956a_100000719178_100000033659 [0,1,0,0,0,1|2,0,0]=4 1174 B15R0.221 CC(=O)SCCCCN(C)CCCC(=O)O 269956a_100000719178_200010402107 [0,1,0,0,0,1|2,0,0]=4 1175 B15R0.221 CN(CCCCCB(O)O)CCCC(=O)O 269956a_100000719178_200009817188 [0,1,0,0,0,1|1,0,1]=4 1176 B15R0.221 CN(CCCCCC(=O)N)CCCC(=O)O 269956a_100000719178_100009817443 [0,1,0,0,0,1|1,0,0]=3 1177 B15R0.226 CC(=O)OCCCCNCC(O)CC(=O)O 269956a_100011218706_100000033659 [0,1,0,0,0,1|2,0,0]=4 1178 B15R0.226 CC(=O)SCCCCNCC(O)CC(=O)O 269956a_100011218706_200010402107 [0,1,0,0,0,1|2,0,0]=4 1179 B15R0.226 NC(=O)CCCCCNCC(O)CC(=O)O 269956a_100011218706_100009817443 [0,1,0,0,0,1|1,0,0]=3 1180 B15R0.247 C=C(Br)CCOCCCCCCC(=O)OC 34a_100009813270_100009815986 [0,1,0,0,0,1|2,0,0]=4 1181 B15R0.247 C=C(C)CCOCCCCCCC(=O)OC 34a_100000764851_100009815986 [0,1,0,0,0,1|2,0,0]=4 1182 B15R0.247 C=C(C)CCOCCCCCCC(=O)OC 34a_100009863599_100000730704 [0,1,0,0,0,1|2,0,0]=4 1183 B15R0.247 C=C(C)CCOCCCCCCC(=O)OC 7a_100009863599_100000730704 [0,1,0,0,0,1|2,0,0]=4 1184 B15R0.247 C=C(C)CCSCCCCCCC(=O)OC 62a_100000730704_100009815986 [0,1,0,0,0,1|2,0,0]=4 1185 B15R0.247 C=C(C)CCSCCCCCCC(=O)OC 62a_100009815986_100000730704 [0,1,0,0,0,1|2,0,0]=4 1186 B15R0.247 C=C(C)COCCCCCCCC(=O)OC 34a_100000210245_100010004213 [0,1,0,0,0,1|2,0,0]=4 1187 B15R0.247 C=C(C)COCCCCCCCC(=O)OC 34a_100011022521_100000748629 [0,1,0,0,0,1|2,0,0]=4 1188 B15R0.247 C=C(C)COCCCCCCCC(=O)OC 7a_100011022521_100000748629 [0,1,0,0,0,1|2,0,0]=4 1189 B15R0.247 C=C(C)CSCCCCCCCC(=O)OC 62a_100000748629_100010004213 [0,1,0,0,0,1|2,0,0]=4 1190 B15R0.247 C=C(C)CSCCCCCCCC(=O)OC 62a_100010004213_100000211660 [0,1,0,0,0,1|2,0,0]=4 1191 B15R0.247 C=C(F)COCCCCCCCC(=O)OC 34a_100011022521_100009893438 [0,1,0,0,0,1|2,0,0]=4 1192 B15R0.247 C=C(F)COCCCCCCCC(=O)OC 34a_200010262243_100010004213 [0,1,0,0,0,1|2,0,0]=4 1193 B15R0.247 C=C(F)COCCCCCCCC(=O)OC 7a_100011022521_100000042424 [0,1,0,0,0,1|2,0,0]=4 1194 B15R0.247 C=C(F)CSCCCCCCCC(=O)OC 62a_100000042424_100010004213 [0,1,0,0,0,1|2,0,0]=4 1195 B15R0.247 C=C(F)CSCCCCCCCC(=O)OC 62a_100010004213_100000042424 [0,1,0,0,0,1|2,0,0]=4 1196 B15R0.247 C=CC(=O)OCCCCCCNCC(=O)O 269956a_100016091260_100009894100 [0,1,0,0,0,1|2,0,0]=4 1197 B15R0.247 CNC(=O)CCCNCCCCCC(=O)N 2230a_100000740002_100009817443 [0,1,0,0,0,1|2,0,0]=4 1198 B15R0.247 CNC(=O)CCCNCCCCCC(=O)N 34a_100000740002_100009817443 [0,1,0,0,0,1|2,0,0]=4 1199 B15R0.247 CNC(=O)CCCOCCCCCC(=O)N 34a_100000123541_100000741757 [0,1,0,0,0,1|2,0,0]=4 1200 B15R0.247 CNC(=O)CCCOCCCCCC(=O)N 7a_100000123541_100000741757 [0,1,0,0,0,1|2,0,0]=4 1201 B15R0.247 CNC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100000741757 [0,1,0,0,0,1|1,0,1]=4 1202 B15R0.247 CNC(=O)CCCSCCCCCC(=O)N 62a_100000741757_100009817443 [0,1,0,0,0,1|2,0,0]=4 1203 B15R0.247 CNC(=O)CCCSCCCCCC(=O)N 62a_100009817443_100000741757 [0,1,0,0,0,1|2,0,0]=4 1204 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100000070787_100009813843 [0,1,0,0,0,1|1,0,0]=3 1205 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100009997464_200000210301 [0,1,0,0,0,1|1,0,0]=3 1206 B15R0.247 COC(=O)CCCCCCCCCC(=O)[13CH3] 1458a_100009997464_200025704644 [0,1,0,0,0,1|1,0,0]=3 1207 B15R0.247 COC(=O)CCCCCCCNCC(=O)N 2230a_100000711301_100010004213 [0,1,0,0,0,1|1,0,0]=3 1208 B15R0.247 COC(=O)CCCCCCCNCC(=O)O 269956a_100016091260_100010004213 [0,1,0,0,0,1|0,0,0]=2 1209 B15R0.247 COC(=O)CCCCCCCNCC(C)O 2230a_100000210904_100010004213 [0,1,0,0,0,1|1,0,1]=4 1210 B15R0.247 COC(=O)CCCCCCCNCC(C)O 34a_100000210904_100010004213 [0,1,0,0,0,1|1,0,1]=4 1211 B15R0.247 COC(=O)CCCCCCCOCC(=O)C 34a_100000211253_100010004213 [0,1,0,0,0,1|1,0,0]=3 1212 B15R0.247 COC(=O)CCCCCCCOCC(=O)N 34a_100011022521_100000187820 [0,1,0,0,0,1|1,0,0]=3 1213 B15R0.247 COC(=O)CCCCCCCOCC(=O)N 7a_100011022521_100000187820 [0,1,0,0,0,1|1,0,0]=3 1214 B15R0.247 COC(=O)CCCCCCCOCC(=O)[O-] 34a_100011022521_100020667443 [0,1,0,0,0,1|0,0,1]=3 1215 B15R0.247 COC(=O)CCCCCCCOCC(C)O 34a_100011022521_100011218427 [0,1,0,0,0,1|1,0,1]=4 1216 B15R0.247 COC(=O)CCCCCCCOCC(C)O 7a_100011022521_100011218427 [0,1,0,0,0,1|1,0,1]=4 1217 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)O 34a_100011022521_100009817552 [0,1,0,0,0,1|1,0,1]=4 1218 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)O 7a_100011022521_100009817552 [0,1,0,0,0,1|1,0,1]=4 1219 B15R0.247 COC(=O)CCCCCCCOC[N+](=O)[O-] 34a_100011022521_100000761209 [0,1,0,0,0,1|1,0,1]=4 1220 B15R0.247 COC(=O)CCCCCCCSCC(=O)N 62a_100000747473_100010004213 [0,1,0,0,0,1|1,0,0]=3 1221 B15R0.247 COC(=O)CCCCCCCSCC(=O)N 62a_100010004213_100000747473 [0,1,0,0,0,1|1,0,0]=3 1222 B15R0.247 COC(=O)CCCCCCCSCC(=O)[O-] 62a_100010004213_100020667443 [0,1,0,0,0,1|0,0,1]=3 1223 B15R0.247 COC(=O)CCCCCCCSCC(=O)[O-] 62a_100020667443_100010004213 [0,1,0,0,0,1|0,0,1]=3 1224 B15R0.247 COC(=O)CCCCCCCSCC(C)O 62a_100010004213_100011218427 [0,1,0,0,0,1|1,0,1]=4 1225 B15R0.247 COC(=O)CCCCCCCSCC(C)O 62a_100011218427_100010004213 [0,1,0,0,0,1|1,0,1]=4 1226 B15R0.247 COC(=O)CCCCCCCSC[C@@H](C)O 62a_100009817552_100010004213 [0,1,0,0,0,1|1,0,1]=4 1227 B15R0.247 COC(=O)CCCCCCCSC[C@@H](C)O 62a_100010004213_100009817552 [0,1,0,0,0,1|1,0,1]=4 1228 B15R0.247 COC(=O)CCCCCCCSC[N+](=O)[O-] 62a_100010004213_100000761209 [0,1,0,0,0,1|1,0,1]=4 1229 B15R0.247 COC(=O)CCCCCCNCCC(C)O 2230a_200000755665_100009815986 [0,1,0,0,0,1|1,0,1]=4 1230 B15R0.247 COC(=O)CCCCCCNOCC(=O)O 269956a_100000106656_100009815986 [0,1,0,0,0,1|1,0,0]=3 1231 B15R0.247 COC(=O)CCCCCCOCCC(=O)C 34a_100000759926_100009815986 [0,1,0,0,0,1|1,0,0]=3 1232 B15R0.247 COC(=O)CCCCCCOCCC(=O)C 7a_100000759926_100009815986 [0,1,0,0,0,1|1,0,0]=3 1233 B15R0.247 COC(=O)CCCCCCOCCC(=O)C 7a_100009863599_100000053229 [0,1,0,0,0,1|1,0,0]=3 1234 B15R0.247 COC(=O)CCCCCCOCCC(=O)N 34a_100000757172_100009815986 [0,1,0,0,0,1|1,0,0]=3 1235 B15R0.247 COC(=O)CCCCCCOCCC(=O)N 34a_100009863599_100000731001 [0,1,0,0,0,1|1,0,0]=3 1236 B15R0.247 COC(=O)CCCCCCOCCC(=O)N 7a_100000757172_100009815986 [0,1,0,0,0,1|1,0,0]=3 1237 B15R0.247 COC(=O)CCCCCCOCCC(=O)N 7a_100009863599_100000744528 [0,1,0,0,0,1|1,0,0]=3 1238 B15R0.247 COC(=O)CCCCCCOCCC(C)O 34a_100009863599_100012276601 [0,1,0,0,0,1|1,0,1]=4 1239 B15R0.247 COC(=O)CCCCCCOCCC(C)O 7a_100009863599_100012276601 [0,1,0,0,0,1|1,0,1]=4 1240 B15R0.247 COC(=O)CCCCCCOCOC(=O)C 34a_100009863599_100009813279 [0,1,0,0,0,1|2,0,0]=4 1241 B15R0.247 COC(=O)CCCCCCSCCC(=O)C 62a_100000053229_100009815986 [0,1,0,0,0,1|1,0,0]=3 1242 B15R0.247 COC(=O)CCCCCCSCCC(=O)C 62a_100009815986_100000053229 [0,1,0,0,0,1|1,0,0]=3 1243 B15R0.247 COC(=O)CCCCCCSCCC(=O)N 62a_100000744528_100009815986 [0,1,0,0,0,1|1,0,0]=3 1244 B15R0.247 COC(=O)CCCCCCSCCC(=O)N 62a_100009815986_100000744528 [0,1,0,0,0,1|1,0,0]=3 1245 B15R0.247 COC(=O)CCCCCCSCCC(C)O 62a_100009815986_100012276601 [0,1,0,0,0,1|1,0,1]=4 1246 B15R0.247 COC(=O)CCCCCCSCCC(C)O 62a_100012276601_100009815986 [0,1,0,0,0,1|1,0,1]=4 1247 B15R0.247 COC(=O)CCCCCCSCOC(=O)C 62a_100000076356_100009815986 [0,1,0,0,0,1|2,0,0]=4 1248 B15R0.247 COC(=O)CCCCCCSCOC(=O)C 62a_100009815986_100000076356 [0,1,0,0,0,1|2,0,0]=4 1249 B15R0.247 COC(=O)CCCCCNCCCC(=O)N 34a_100000739312_100009816466 [0,1,0,0,0,1|1,0,0]=3 1250 B15R0.247 COC(=O)CCCCCNCCCS(=O)C 2230a_200000753449_100009816466 [0,1,0,0,0,1|2,0,0]=4 1251 B15R0.247 COC(=O)CCCCCNCCNC(=O)C 2230a_100000209853_100009816466 [0,1,0,0,0,1|2,0,0]=4 1252 B15R0.247 COC(=O)CCCCCNCCNC(=O)N 34a_100020590234_100009816466 [0,1,0,0,0,1|2,0,0]=4 1253 B15R0.247 COC(=O)CCCCCOCCCC(=O)C 34a_100000074720_100000685027 [0,1,0,0,0,1|1,0,0]=3 1254 B15R0.247 COC(=O)CCCCCOCCCC(=O)C 34a_100000759063_100009816466 [0,1,0,0,0,1|1,0,0]=3 1255 B15R0.247 COC(=O)CCCCCOCCCC(=O)C 7a_100000074720_100011215641 [0,1,0,0,0,1|1,0,0]=3 1256 B15R0.247 COC(=O)CCCCCOCCCC(=O)C 7a_100000759063_100009816466 [0,1,0,0,0,1|1,0,0]=3 1257 B15R0.247 COC(=O)CCCCCOCCCC(=O)N 34a_100000074720_100102525003 [0,1,0,0,0,1|1,0,0]=3 1258 B15R0.247 COC(=O)CCCCCOCCCC(=O)N 7a_100000074720_100102525003 [0,1,0,0,0,1|1,0,0]=3 1259 B15R0.247 COC(=O)CCCCCOCCCC(C)O 34a_100000074720_200000718107 [0,1,0,0,0,1|1,0,1]=4 1260 B15R0.247 COC(=O)CCCCCOCCCC(C)O 7a_100000074720_200000718107 [0,1,0,0,0,1|1,0,1]=4 1261 B15R0.247 COC(=O)CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100009816466 [0,1,0,0,0,1|1,0,1]=4 1262 B15R0.247 COC(=O)CCCCCOCCNC(=O)C 34a_100000158858_100009816466 [0,1,0,0,0,1|2,0,0]=4 1263 B15R0.247 COC(=O)CCCCCOCCNC(=O)C 7a_100000074720_100000189650 [0,1,0,0,0,1|2,0,0]=4 1264 B15R0.247 COC(=O)CCCCCOCCNC(=O)N 34a_100000181757_100009816466 [0,1,0,0,0,1|2,0,0]=4 1265 B15R0.247 COC(=O)CCCCCOCCNC(=O)N 7a_100000074720_200000034859 [0,1,0,0,0,1|2,0,0]=4 1266 B15R0.247 COC(=O)CCCCCOCCOC(=O)C 34a_100000074720_100009814007 [0,1,0,0,0,1|2,0,0]=4 1267 B15R0.247 COC(=O)CCCCCOCCOC(=O)C 7a_100000074720_100009814007 [0,1,0,0,0,1|2,0,0]=4 1268 B15R0.247 COC(=O)CCCCCOCCOC(=O)N 34a_100000074720_200011214921 [0,1,0,0,0,1|2,0,0]=4 1269 B15R0.247 COC(=O)CCCCCOCCOC(=O)N 7a_100000074720_200011214921 [0,1,0,0,0,1|2,0,0]=4 1270 B15R0.247 COC(=O)CCCCCOCCOC(=O)N 7a_100000766696_100009816466 [0,1,0,0,0,1|2,0,0]=4 1271 B15R0.247 COC(=O)CCCCCSCCCC(=O)C 62a_100009816466_100011215641 [0,1,0,0,0,1|1,0,0]=3 1272 B15R0.247 COC(=O)CCCCCSCCCC(=O)C 62a_100011215641_100009816466 [0,1,0,0,0,1|1,0,0]=3 1273 B15R0.247 COC(=O)CCCCCSCCCC(=O)N 62a_100009816466_100102525003 [0,1,0,0,0,1|1,0,0]=3 1274 B15R0.247 COC(=O)CCCCCSCCCC(=O)N 62a_100102525003_100009816466 [0,1,0,0,0,1|1,0,0]=3 1275 B15R0.247 COC(=O)CCCCCSCCCC(C)O 62a_100009816466_200000718107 [0,1,0,0,0,1|1,0,1]=4 1276 B15R0.247 COC(=O)CCCCCSCCCC(C)O 62a_200000718107_100009816466 [0,1,0,0,0,1|1,0,1]=4 1277 B15R0.247 COC(=O)CCCCCSCCNC(=O)C 62a_100000189650_100009816466 [0,1,0,0,0,1|2,0,0]=4 1278 B15R0.247 COC(=O)CCCCCSCCNC(=O)C 62a_100009816466_100000189650 [0,1,0,0,0,1|2,0,0]=4 1279 B15R0.247 COC(=O)CCCCCSCCNC(=O)N 62a_100009816466_200000034859 [0,1,0,0,0,1|2,0,0]=4 1280 B15R0.247 COC(=O)CCCCCSCCNC(=O)N 62a_200000034859_100009816466 [0,1,0,0,0,1|2,0,0]=4 1281 B15R0.247 COC(=O)CCCCCSCCOC(=O)C 62a_100009814007_100009816466 [0,1,0,0,0,1|2,0,0]=4 1282 B15R0.247 COC(=O)CCCCCSCCOC(=O)C 62a_100009816466_100009814007 [0,1,0,0,0,1|2,0,0]=4 1283 B15R0.247 COC(=O)CCCCCSCCOC(=O)N 62a_100009816466_200011214921 [0,1,0,0,0,1|2,0,0]=4 1284 B15R0.247 COC(=O)CCCCCSCCOC(=O)N 62a_200011214921_100009816466 [0,1,0,0,0,1|2,0,0]=4 1285 B15R0.247 COC(=O)CCCCNCCCCC(=O)N 34a_100000696515_100000204269 [0,1,0,0,0,1|1,0,0]=3 1286 B15R0.247 COC(=O)CCCCNCCCNC(=O)C 34a_100000736810_100000204269 [0,1,0,0,0,1|2,0,0]=4 1287 B15R0.247 COC(=O)CCCCNCCOCC(=O)O 269956a_100000700818_100000204269 [0,1,0,0,0,1|1,0,0]=3 1288 B15R0.247 COC(=O)CCCCOCCCCB(O)O 34a_100000059025_200009817182 [0,1,0,0,0,1|1,0,1]=4 1289 B15R0.247 COC(=O)CCCCOCCCCB(O)O 7a_100000059025_200009817182 [0,1,0,0,0,1|1,0,1]=4 1290 B15R0.247 COC(=O)CCCCOCCCCC(=O)C 34a_100000059025_100009817362 [0,1,0,0,0,1|1,0,0]=3 1291 B15R0.247 COC(=O)CCCCOCCCCC(=O)C 7a_100000059025_100000735457 [0,1,0,0,0,1|1,0,0]=3 1292 B15R0.247 COC(=O)CCCCOCCCCC(=O)N 34a_100012022536_100000204269 [0,1,0,0,0,1|1,0,0]=3 1293 B15R0.247 COC(=O)CCCCOCCCCC(=O)N 7a_100012022536_100000204269 [0,1,0,0,0,1|1,0,0]=3 1294 B15R0.247 COC(=O)CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000204269 [0,1,0,0,0,1|1,0,1]=4 1295 B15R0.247 COC(=O)CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000204269 [0,1,0,0,0,1|1,0,1]=4 1296 B15R0.247 COC(=O)CCCCOCCCNC(=O)C 34a_100000752032_100000204269 [0,1,0,0,0,1|2,0,0]=4 1297 B15R0.247 COC(=O)CCCCOCCCOC(=O)C 34a_100000059025_100000042594 [0,1,0,0,0,1|2,0,0]=4 1298 B15R0.247 COC(=O)CCCCOCCCOC(=O)C 7a_100000059025_100000042594 [0,1,0,0,0,1|2,0,0]=4 1299 B15R0.247 COC(=O)CCCCOCCCSC(=O)C 34a_100000059025_100000038929 [0,1,0,0,0,1|2,0,0]=4 1300 B15R0.247 COC(=O)CCCCOCCCSC(=O)C 7a_100000059025_100000038929 [0,1,0,0,0,1|2,0,0]=4 1301 B15R0.247 COC(=O)CCCCOCCOCC(=O)N 34a_100000059025_100000076697 [0,1,0,0,0,1|2,0,0]=4 1302 B15R0.247 COC(=O)CCCCOCCOCC(=O)N 7a_100000059025_100000076697 [0,1,0,0,0,1|2,0,0]=4 1303 B15R0.247 COC(=O)CCCCSCCCCB(O)O 62a_100000204269_200009817182 [0,1,0,0,0,1|1,0,1]=4 1304 B15R0.247 COC(=O)CCCCSCCCCB(O)O 62a_200009817182_100000204269 [0,1,0,0,0,1|1,0,1]=4 1305 B15R0.247 COC(=O)CCCCSCCCCC(=O)C 62a_100000204269_100000735457 [0,1,0,0,0,1|1,0,0]=3 1306 B15R0.247 COC(=O)CCCCSCCCCC(=O)C 62a_100000735457_100000204269 [0,1,0,0,0,1|1,0,0]=3 1307 B15R0.247 COC(=O)CCCCSCCCOC(=O)C 62a_100000042594_100000204269 [0,1,0,0,0,1|2,0,0]=4 1308 B15R0.247 COC(=O)CCCCSCCCOC(=O)C 62a_100000204269_100000042594 [0,1,0,0,0,1|2,0,0]=4 1309 B15R0.247 COC(=O)CCCCSCCCSC(=O)C 62a_100000038929_100000204269 [0,1,0,0,0,1|2,0,0]=4 1310 B15R0.247 COC(=O)CCCCSCCCSC(=O)C 62a_100000204269_100000038929 [0,1,0,0,0,1|2,0,0]=4 1311 B15R0.247 COC(=O)CCCCSCCOCC(=O)N 62a_100000076697_100000204269 [0,1,0,0,0,1|2,0,0]=4 1312 B15R0.247 COC(=O)CCCCSCCOCC(=O)N 62a_100000204269_100000076697 [0,1,0,0,0,1|2,0,0]=4 1313 B15R0.247 COC(=O)CCCNCCCCNC(=O)C 2230a_200011368371_100011218270 [0,1,0,0,0,1|2,0,0]=4 1314 B15R0.247 COC(=O)CCCNCCCCNC(=O)C 34a_200011368371_100000742333 [0,1,0,0,0,1|2,0,0]=4 1315 B15R0.247 COC(=O)CCCOCCCCCC(=O)N 34a_100000123541_100000742333 [0,1,0,0,0,1|1,0,0]=3 1316 B15R0.247 COC(=O)CCCOCCCCCC(=O)N 7a_100000123541_100011218270 [0,1,0,0,0,1|1,0,0]=3 1317 B15R0.247 COC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011218270 [0,1,0,0,0,1|0,0,1]=3 1318 B15R0.247 COC(=O)CCCOCCCCOC(=O)C 34a_100000073216_100000742333 [0,1,0,0,0,1|2,0,0]=4 1319 B15R0.247 COC(=O)CCCOCCCCOC(=O)C 7a_100000073216_100011218270 [0,1,0,0,0,1|2,0,0]=4 1320 B15R0.247 COC(=O)CCCSCCCCCB(O)O 62a_100011218270_200009817188 [0,1,0,0,0,1|1,0,1]=4 1321 B15R0.247 COC(=O)CCCSCCCCCB(O)O 62a_200009817188_100011218270 [0,1,0,0,0,1|1,0,1]=4 1322 B15R0.247 COC(=O)CCCSCCCCCC(=O)N 62a_100009817443_100011218270 [0,1,0,0,0,1|1,0,0]=3 1323 B15R0.247 COC(=O)CCCSCCCCCC(=O)N 62a_100011218270_100009817443 [0,1,0,0,0,1|1,0,0]=3 1324 B15R0.247 COC(=O)CCCSCCCCOC(=O)C 62a_100000033659_100011218270 [0,1,0,0,0,1|2,0,0]=4 1325 B15R0.247 COC(=O)CCCSCCCCOC(=O)C 62a_100011218270_100000033659 [0,1,0,0,0,1|2,0,0]=4 1326 B15R0.247 COC(=O)CCCSCCCCSC(=O)C 62a_100011218270_200010402107 [0,1,0,0,0,1|2,0,0]=4 1327 B15R0.247 COC(=O)CCCSCCCCSC(=O)C 62a_200010402107_100011218270 [0,1,0,0,0,1|2,0,0]=4 1328 B15R0.247 COC(=O)CCNCCCCCNC(=O)C 2230a_200012022750_100000204255 [0,1,0,0,0,1|2,0,0]=4 1329 B15R0.247 COC(=O)CCNCCCCCNC(=O)C 34a_200012022750_100000742370 [0,1,0,0,0,1|2,0,0]=4 1330 B15R0.247 COC(=O)CCSCCCCCCB(O)O 62a_100000204255_100009817187 [0,1,0,0,0,1|1,0,1]=4 1331 B15R0.247 COC(=O)CCSCCCCCCB(O)O 62a_100009817187_100000204255 [0,1,0,0,0,1|1,0,1]=4 1332 B15R0.247 COC(=O)CCSCCCCCOC(=O)C 62a_100000033007_100000204255 [0,1,0,0,0,1|2,0,0]=4 1333 B15R0.247 COC(=O)CCSCCCCCOC(=O)C 62a_100000204255_100000033007 [0,1,0,0,0,1|2,0,0]=4 1334 B15R0.247 COC(=O)CNCCCCCCNC(=O)C 2230a_200011996284_100000747449 [0,1,0,0,0,1|2,0,0]=4 1335 B15R0.247 COC(=O)CNCCCCCCNC(=O)C 34a_200011996284_100000747449 [0,1,0,0,0,1|2,0,0]=4 1336 B15R0.247 COC(=O)CNCCOCCOCC(=O)O 269956a_100009854275_100000747449 [0,1,0,0,0,1|2,0,0]=4 1337 B15R0.247 COC(=O)COCCNCCCCC(=O)N 34a_100000696515_100000090808 [0,1,0,0,0,1|2,0,0]=4 1338 B15R0.247 COC(=O)COCCOCCCCC(=O)N 34a_100012022536_100000090808 [0,1,0,0,0,1|2,0,0]=4 1339 B15R0.247 COC(=O)COCCOCCCCC(=O)N 7a_100012022536_100000090808 [0,1,0,0,0,1|2,0,0]=4 1340 B15R0.247 COC(=O)COCCSCCCCC(=O)C 62a_100000090808_100000735457 [0,1,0,0,0,1|2,0,0]=4 1341 B15R0.247 COC(=O)COCCSCCCCC(=O)C 62a_100000735457_100000090808 [0,1,0,0,0,1|2,0,0]=4 1342 B15R0.247 COC(=O)NCCOCCCCCC(=O)N 34a_100000757965_100009817443 [0,1,0,0,0,1|2,0,0]=4 1343 B15R0.247 COC(=O)OCCOCCCCCC(=O)N 34a_100010262106_100009817443 [0,1,0,0,0,1|2,0,0]=4 1344 B15R0.247 NNC(=O)CCCOCCCCCC(=O)N 34a_100000211488_100009817443 [0,1,0,0,0,1|2,0,0]=4 1345 B15R0.2702 CC(=O)OCCCCCNCC(C)C(=O)O 269956a_100000749485_100000033007 [0,1,0,0,0,1|2,0,0]=4 1346 B15R0.2702 CC(=O)OCCCCCNCC(F)C(=O)O 269956a_100000084737_100000033007 [0,1,0,0,0,1|2,0,0]=4 1347 B15R0.2702 CC(CNCCCCCCB(O)O)C(=O)O 269956a_100000749485_100009817187 [0,1,0,0,0,1|1,0,1]=4 1348 B15R0.2702 O=C(O)C(F)CNCCCCCCB(O)O 269956a_100000084737_100009817187 [0,1,0,0,0,1|1,0,1]=4 1349 B15R0.25 COC(=O)CCCC(=O)CCCCC(=O)C 1458a_100000239890_100000735457 [0,2,0,0,0,0|1,0,1]=4 1350 B15R0.25 COC(=O)CCCN(C)CCCCC(=O)C 269982a_100000739225_100000735457 [0,2,0,0,0,0|2,0,0]=4 1351 B15R0.246 COC(=O)CCCCC(=O)CCCC(=O)C 1458a_100000695723_100011215641 [0,2,0,0,0,0|1,0,1]=4 1352 B15R0.246 COC(=O)CCCCC(=O)CCCC(=O)N 1458a_100000695723_100102525003 [0,2,0,0,0,0|1,0,1]=4 1353 B15R0.246 COC(=O)CCCCN(C)CCCC(=O)O 269956a_100000719178_100000204269 [0,2,0,0,0,0|1,0,0]=3 1354 B15R0.246 COC(=O)CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011218270 [0,2,0,0,0,0|1,0,1]=4 1355 B15R0.99 COC(=O)CC(C)OCCCCCC(=O)N 34a_100000123541_100009817358 [0,2,0,0,0,0|2,0,0]=4 1356 B15R0.99 COC(=O)CC(C)OCCCCCC(=O)N 7a_100000123541_100009817358 [0,2,0,0,0,0|2,0,0]=4 1357 B15R0.99 COC(=O)CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100009817358 [0,2,0,0,0,0|1,0,1]=4 1358 B15R0.99 COC(=O)CC(C)SCCCCCC(=O)N 62a_100009817358_100009817443 [0,2,0,0,0,0|2,0,0]=4 1359 B15R0.99 COC(=O)CC(C)SCCCCCC(=O)N 62a_100009817443_100009817358 [0,2,0,0,0,0|2,0,0]=4 1360 B15R0.99 COC(=O)C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100000754131 [0,2,0,0,0,0|2,0,0]=4 1361 B15R0.99 COC(=O)C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100000754131 [0,2,0,0,0,0|2,0,0]=4 1362 B15R0.99 COC(=O)C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100000754131 [0,2,0,0,0,0|2,0,0]=4 1363 B15R0.99 COC(=O)C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100000754131 [0,2,0,0,0,0|2,0,0]=4 1364 B15R0.99 COC(=O)C[C@@H](O)CSCCCCC(=O)C 62a_100000735457_100000754131 [0,2,0,0,0,0|2,0,0]=4 1365 B15R0.99 COC(=O)C[C@@H](O)CSCCCCC(=O)C 62a_100000754131_100000735457 [0,2,0,0,0,0|2,0,0]=4 1366 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010175975 [0,2,0,0,0,0|1,0,0]=3 1367 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_200000016031_200000210301 [0,2,0,0,0,0|1,0,0]=3 1368 B15R0.111 CCOC(=O)CCCCCCCCC(=O)[13CH3] 1458a_200000016031_200025704644 [0,2,0,0,0,0|1,0,0]=3 1369 B15R0.111 CCOC(=O)CCCCCCNCC(=O)N 2230a_100000711301_100009814379 [0,2,0,0,0,0|2,0,0]=4 1370 B15R0.111 CCOC(=O)CCCCCCNCC(=O)O 269956a_100016091260_100009814379 [0,2,0,0,0,0|1,0,0]=3 1371 B15R0.111 CCOC(=O)CCCCCCOCC(=O)C 34a_100000211253_100009814379 [0,2,0,0,0,0|2,0,0]=4 1372 B15R0.111 CCOC(=O)CCCCCCSCC(=O)N 62a_100000747473_100009814379 [0,2,0,0,0,0|2,0,0]=4 1373 B15R0.111 CCOC(=O)CCCCCCSCC(=O)[O-] 62a_100020667443_100009814379 [0,2,0,0,0,0|1,0,1]=4 1374 B15R0.111 CCOC(=O)CCCCCNOCC(=O)O 269956a_100000106656_100000755133 [0,2,0,0,0,0|2,0,0]=4 1375 B15R0.111 CCOC(=O)CCCCCOCCC(=O)C 34a_100000759926_100000755133 [0,2,0,0,0,0|2,0,0]=4 1376 B15R0.111 CCOC(=O)CCCCCOCCC(=O)C 7a_100000759926_100000755133 [0,2,0,0,0,0|2,0,0]=4 1377 B15R0.111 CCOC(=O)CCCCCOCCC(=O)C 7a_100011214988_100000053229 [0,2,0,0,0,0|2,0,0]=4 1378 B15R0.111 CCOC(=O)CCCCCOCCC(=O)N 34a_100000757172_100000755133 [0,2,0,0,0,0|2,0,0]=4 1379 B15R0.111 CCOC(=O)CCCCCOCCC(=O)N 7a_100000757172_100000755133 [0,2,0,0,0,0|2,0,0]=4 1380 B15R0.111 CCOC(=O)CCCCCOCCC(=O)N 7a_100011214988_100000744528 [0,2,0,0,0,0|2,0,0]=4 1381 B15R0.111 CCOC(=O)CCCCCSCCC(=O)C 62a_100000053229_100000755133 [0,2,0,0,0,0|2,0,0]=4 1382 B15R0.111 CCOC(=O)CCCCCSCCC(=O)C 62a_100000755133_100000053229 [0,2,0,0,0,0|2,0,0]=4 1383 B15R0.111 CCOC(=O)CCCCCSCCC(=O)N 62a_100000744528_100000755133 [0,2,0,0,0,0|2,0,0]=4 1384 B15R0.111 CCOC(=O)CCCCCSCCC(=O)N 62a_100000755133_100000744528 [0,2,0,0,0,0|2,0,0]=4 1385 B15R0.111 CCOC(=O)CCCCNCCCC(=O)N 34a_100000739312_100000750268 [0,2,0,0,0,0|2,0,0]=4 1386 B15R0.111 CCOC(=O)CCCCOCCCC(=O)C 34a_100000759063_100000750268 [0,2,0,0,0,0|2,0,0]=4 1387 B15R0.111 CCOC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000750268 [0,2,0,0,0,0|2,0,0]=4 1388 B15R0.111 CCOC(=O)CCCCSCCCC(=O)C 62a_100000750268_100011215641 [0,2,0,0,0,0|2,0,0]=4 1389 B15R0.111 CCOC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000750268 [0,2,0,0,0,0|2,0,0]=4 1390 B15R0.111 CCOC(=O)CCCCSCCCC(=O)N 62a_100000750268_100102525003 [0,2,0,0,0,0|2,0,0]=4 1391 B15R0.111 CCOC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000750268 [0,2,0,0,0,0|2,0,0]=4 1392 B15R0.111 CCOC(=O)CCCNCCCCC(=O)N 34a_100000696515_100009991533 [0,2,0,0,0,0|2,0,0]=4 1393 B15R0.111 CCOC(=O)CCCNCCOCC(=O)O 269956a_100000700818_100009991533 [0,2,0,0,0,0|2,0,0]=4 1394 B15R0.111 CCOC(=O)CCCOCCCCC(=O)C 7a_100012001163_100000735457 [0,2,0,0,0,0|2,0,0]=4 1395 B15R0.111 CCOC(=O)CCCOCCCCC(=O)N 34a_100012022536_100009991533 [0,2,0,0,0,0|2,0,0]=4 1396 B15R0.111 CCOC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215271 [0,2,0,0,0,0|2,0,0]=4 1397 B15R0.111 CCOC(=O)CCCSCCCCC(=O)C 62a_100000735457_100009991533 [0,2,0,0,0,0|2,0,0]=4 1398 B15R0.111 CCOC(=O)CCCSCCCCC(=O)C 62a_100009991533_100000735457 [0,2,0,0,0,0|2,0,0]=4 1399 B15R0.111 CCOC(=O)CCOCCCCCC(=O)N 34a_100000123541_100000765890 [0,2,0,0,0,0|2,0,0]=4 1400 B15R0.111 CCOC(=O)CCOCCCCCC(=O)N 7a_100000123541_100011206558 [0,2,0,0,0,0|2,0,0]=4 1401 B15R0.111 CCOC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100011206558 [0,2,0,0,0,0|1,0,1]=4 1402 B15R0.111 CCOC(=O)CCSCCCCCC(=O)N 62a_100000765890_100009817443 [0,2,0,0,0,0|2,0,0]=4 1403 B15R0.111 CCOC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000765890 [0,2,0,0,0,0|2,0,0]=4 1404 B15R0.172 C#CC(=O)CCCCCCCCC(=O)OC 1458a_100000211873_100010282707 [0,2,0,0,0,0|1,0,0]=3 1405 B15R0.172 C=CC(=O)CCCCCCCCC(=O)OC 1458a_100000185746_100010282707 [0,2,0,0,0,0|1,0,0]=3 1406 B15R0.172 CCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210202 [0,2,0,0,0,0|1,0,0]=3 1407 B15R0.172 CCC(=O)CCCCCCCCC(=O)OC 1458a_100000210414_100010282707 [0,2,0,0,0,0|1,0,0]=3 1408 B15R0.172 CCC(=O)COCCCCCCC(=O)OC 34a_100000725409_100009815986 [0,2,0,0,0,0|2,0,0]=4 1409 B15R0.172 CCC(=O)COCCCCCCC(=O)OC 7a_100009863599_100000747405 [0,2,0,0,0,0|2,0,0]=4 1410 B15R0.172 CCC(=O)CSCCCCCCC(=O)OC 62a_100000747405_100009815986 [0,2,0,0,0,0|2,0,0]=4 1411 B15R0.172 CCC(=O)CSCCCCCCC(=O)OC 62a_100009815986_100000747405 [0,2,0,0,0,0|2,0,0]=4 1412 B15R0.172 CCC(=O)NCCCCCCCC(=O)OC 188690a_100000687944_100000210414 [0,2,0,0,0,0|2,0,0]=4 1413 B15R0.172 CNC(=O)CCCCCCCCC(=O)OC 11a_106832991635_100000036616 [0,2,0,0,0,0|1,0,0]=3 1414 B15R0.172 CNC(=O)CCCCCCCCC(=O)OC 1626a_100102657272_100000036616 [0,2,0,0,0,0|1,0,0]=3 1415 B15R0.172 CNC(=O)CCCCCCCCC(=O)OC 240690a_100102657272_100000036616 [0,2,0,0,0,0|1,0,0]=3 1416 B15R0.172 CNC(=O)CCCNCCCCC(=O)OC 2230a_100000740002_100000204269 [0,2,0,0,0,0|2,0,0]=4 1417 B15R0.172 CNC(=O)CCCNCCCCC(=O)OC 34a_100000740002_100000204269 [0,2,0,0,0,0|2,0,0]=4 1418 B15R0.172 CNC(=O)CCCOCCCCC(=O)OC 34a_100000059025_100000741757 [0,2,0,0,0,0|2,0,0]=4 1419 B15R0.172 CNC(=O)CCCOCCCCC(=O)OC 7a_100000059025_100000741757 [0,2,0,0,0,0|2,0,0]=4 1420 B15R0.172 CNC(=O)CCCSCCCCC(=O)OC 62a_100000204269_100000741757 [0,2,0,0,0,0|2,0,0]=4 1421 B15R0.172 CNC(=O)CCCSCCCCC(=O)OC 62a_100000741757_100000204269 [0,2,0,0,0,0|2,0,0]=4 1422 B15R0.172 CNC(=O)CCNCCCCCC(=O)OC 2230a_100000738227_100009816466 [0,2,0,0,0,0|2,0,0]=4 1423 B15R0.172 CNC(=O)CCNCCCCCC(=O)OC 34a_100000738227_100009816466 [0,2,0,0,0,0|2,0,0]=4 1424 B15R0.172 CNC(=O)CCOCCCCCC(=O)OC 34a_100000074720_100012179268 [0,2,0,0,0,0|2,0,0]=4 1425 B15R0.172 CNC(=O)CCOCCCCCC(=O)OC 34a_100000754576_100009816466 [0,2,0,0,0,0|2,0,0]=4 1426 B15R0.172 CNC(=O)CCOCCCCCC(=O)OC 7a_100000074720_100000737683 [0,2,0,0,0,0|2,0,0]=4 1427 B15R0.172 CNC(=O)CCSCCCCCC(=O)OC 62a_100000737683_100009816466 [0,2,0,0,0,0|2,0,0]=4 1428 B15R0.172 CNC(=O)CCSCCCCCC(=O)OC 62a_100009816466_100000737683 [0,2,0,0,0,0|2,0,0]=4 1429 B15R0.172 CNC(=O)CNCCCCCCC(=O)OC 2230a_100000693194_100009815986 [0,2,0,0,0,0|2,0,0]=4 1430 B15R0.172 CNC(=O)COCCCCCCC(=O)OC 34a_100000750040_100009815986 [0,2,0,0,0,0|2,0,0]=4 1431 B15R0.172 CNC(=O)COCCCCCCC(=O)OC 34a_100009863599_100000183359 [0,2,0,0,0,0|2,0,0]=4 1432 B15R0.172 CNC(=O)COCCCCCCC(=O)OC 7a_100009863599_100000183359 [0,2,0,0,0,0|2,0,0]=4 1433 B15R0.172 CNC(=O)CSCCCCCCC(=O)OC 62a_100000183359_100009815986 [0,2,0,0,0,0|2,0,0]=4 1434 B15R0.172 CNC(=O)CSCCCCCCC(=O)OC 62a_100009815986_100000183359 [0,2,0,0,0,0|2,0,0]=4 1435 B15R0.172 COC(=O)CCCCCCCCC(=O)CF 1458a_100000036616_100015361967 [0,2,0,0,0,0|1,0,0]=3 1436 B15R0.172 COC(=O)CCCCCCCCC(=O)CO 1458a_100000210174_100010282707 [0,2,0,0,0,0|0,0,0]=2 1437 B15R0.172 COC(=O)CCCCCCCNC(=O)CO 188690a_100000687944_100000210174 [0,2,0,0,0,0|1,0,0]=3 1438 B15R0.172 COC(=O)CCCCCCOCC(=O)OC 34a_100009863599_100000747449 [0,2,0,0,0,0|1,0,0]=3 1439 B15R0.172 COC(=O)CCCCCCOCC(=O)OC 7a_100009863599_100000747449 [0,2,0,0,0,0|1,0,0]=3 1440 B15R0.172 COC(=O)CCCCCCSCC(=O)OC 62a_100000747449_100009815986 [0,2,0,0,0,0|1,0,0]=3 1441 B15R0.172 COC(=O)CCCCCCSCC(=O)OC 62a_100009815986_100000747449 [0,2,0,0,0,0|1,0,0]=3 1442 B15R0.172 COC(=O)CCCCCOCCC(=NO)N 34a_100000749954_100009816466 [0,2,0,0,0,0|2,0,0]=4 1443 B15R0.172 COC(=O)CCCCCOCCC(=O)OC 34a_100000074720_100000742370 [0,2,0,0,0,0|1,0,0]=3 1444 B15R0.172 COC(=O)CCCCCOCCC(=O)OC 7a_100000074720_100000204255 [0,2,0,0,0,0|1,0,0]=3 1445 B15R0.172 COC(=O)CCCCCSCCC(=O)OC 62a_100000204255_100009816466 [0,2,0,0,0,0|1,0,0]=3 1446 B15R0.172 COC(=O)CCCCCSCCC(=O)OC 62a_100009816466_100000204255 [0,2,0,0,0,0|1,0,0]=3 1447 B15R0.172 COC(=O)CCCCCSCOC(=O)OC 62a_100009816466_100000139417 [0,2,0,0,0,0|2,0,0]=4 1448 B15R0.172 COC(=O)CCCCOCCCC(=O)NN 34a_100000211488_100000204269 [0,2,0,0,0,0|2,0,0]=4 1449 B15R0.172 COC(=O)CCCCOCCCC(=O)OC 34a_100000059025_100000742333 [0,2,0,0,0,0|1,0,0]=3 1450 B15R0.172 COC(=O)CCCCOCCCC(=O)OC 7a_100000059025_100011218270 [0,2,0,0,0,0|1,0,0]=3 1451 B15R0.172 COC(=O)CCCCOCCNC(=O)OC 34a_100000757965_100000204269 [0,2,0,0,0,0|2,0,0]=4 1452 B15R0.172 COC(=O)CCCCOCCOC(=O)OC 34a_100010262106_100000204269 [0,2,0,0,0,0|2,0,0]=4 1453 B15R0.172 COC(=O)CCCCSCCCC(=O)OC 62a_100000204269_100011218270 [0,2,0,0,0,0|1,0,0]=3 1454 B15R0.172 COC(=O)CCCCSCCCC(=O)OC 62a_100011218270_100000204269 [0,2,0,0,0,0|1,0,0]=3 1455 B15R0.172 COC(=O)CCCSCCOCC(=O)OC 62a_100000090808_100011218270 [0,2,0,0,0,0|2,0,0]=4 1456 B15R0.172 COC(=O)CCCSCCOCC(=O)OC 62a_100011218270_100000090808 [0,2,0,0,0,0|2,0,0]=4 1457 B15R0.174 COC(=O)CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100009815986 [0,2,0,0,0,0|1,0,0]=3 1458 B15R0.174 COC(=O)CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100009815986 [0,2,0,0,0,0|2,0,0]=4 1459 B15R0.174 COC(=O)CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100009815986 [0,2,0,0,0,0|2,0,0]=4 1460 B15R0.174 COC(=O)CCCCCCOC(C)C(=O)C 34a_100000212229_100009815986 [0,2,0,0,0,0|2,0,0]=4 1461 B15R0.174 COC(=O)CCCCCCOC(C)C(=O)C 7a_100009863599_100000179758 [0,2,0,0,0,0|2,0,0]=4 1462 B15R0.174 COC(=O)CCCCCCOC(C)C(=O)N 34a_100009863599_100000702099 [0,2,0,0,0,0|2,0,0]=4 1463 B15R0.174 COC(=O)CCCCCCOC(C)C(=O)N 7a_100009863599_100000702099 [0,2,0,0,0,0|2,0,0]=4 1464 B15R0.174 COC(=O)CCCCCCOC(F)C(=O)N 34a_100009863599_100009813875 [0,2,0,0,0,0|2,0,0]=4 1465 B15R0.174 COC(=O)CCCCCCOC(F)C(=O)N 7a_100009863599_100009813875 [0,2,0,0,0,0|2,0,0]=4 1466 B15R0.174 COC(=O)CCCCCCOC(F)C(=O)[O-] 34a_100009863599_100020610796 [0,2,0,0,0,0|1,0,1]=4 1467 B15R0.174 COC(=O)CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100009815986 [0,2,0,0,0,0|1,0,1]=4 1468 B15R0.174 COC(=O)CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100009815986 [0,2,0,0,0,0|2,0,0]=4 1469 B15R0.174 COC(=O)CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100009815986 [0,2,0,0,0,0|2,0,0]=4 1470 B15R0.174 COC(=O)CCCCCCSC(C)C(=O)C 62a_100009814033_100009815986 [0,2,0,0,0,0|2,0,0]=4 1471 B15R0.174 COC(=O)CCCCCCSC(C)C(=O)C 62a_100009815986_100009814033 [0,2,0,0,0,0|2,0,0]=4 1472 B15R0.174 COC(=O)CCCCCCSC(C)C(=O)N 62a_100000702099_100009815986 [0,2,0,0,0,0|2,0,0]=4 1473 B15R0.174 COC(=O)CCCCCCSC(C)C(=O)N 62a_100009815986_100000702099 [0,2,0,0,0,0|2,0,0]=4 1474 B15R0.174 COC(=O)CCCCCCSC(F)C(=O)N 62a_100009813875_100009815986 [0,2,0,0,0,0|2,0,0]=4 1475 B15R0.174 COC(=O)CCCCCCSC(F)C(=O)N 62a_100009815986_100009813875 [0,2,0,0,0,0|2,0,0]=4 1476 B15R0.174 COC(=O)CCCCCCSC(F)C(=O)[O-] 62a_100009815986_100020610796 [0,2,0,0,0,0|1,0,1]=4 1477 B15R0.174 COC(=O)CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100009815986 [0,2,0,0,0,0|1,0,1]=4 1478 B15R0.174 COC(=O)CCCCCNCC(C)C(=O)O 269956a_100000749485_100009816466 [0,2,0,0,0,0|1,0,0]=3 1479 B15R0.174 COC(=O)CCCCCNCC(F)C(=O)O 269956a_100000084737_100009816466 [0,2,0,0,0,0|1,0,0]=3 1480 B15R0.174 COC(=O)CCCCCOCC(C)C(=O)C 34a_100000032740_100009816466 [0,2,0,0,0,0|2,0,0]=4 1481 B15R0.174 COC(=O)CCCCCOCC(C)C(=O)C 7a_100000032740_100009816466 [0,2,0,0,0,0|2,0,0]=4 1482 B15R0.174 COC(=O)CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100009816466 [0,2,0,0,0,0|2,0,0]=4 1483 B15R0.251 COC(=O)CCCCCCC(=O)CC(=O)N 1458a_100000036694_100000187820 [0,2,0,0,0,0|1,0,1]=4 1484 B15R0.251 COC(=O)CCCCCCC(=O)CC(=O)N 1458a_100134613110_100009815986 [0,2,0,0,0,0|1,0,1]=4 1485 B15R0.251 COC(=O)CCCCCCC(=O)CC(=O)[O-] 1458a_100000036694_100020667443 [0,2,0,0,0,0|0,0,2]=4 1486 B15R0.251 COC(=O)CCCCCCN(C)CC(=O)N 2230a_100000739694_100009815986 [0,2,0,0,0,0|2,0,0]=4 1487 B15R0.251 COC(=O)CCCCCCN(C)CC(=O)O 269956a_100000746989_100009815986 [0,2,0,0,0,0|1,0,0]=3 1488 B15R0.251 COC(=O)CCCCNCC(O)CC(=O)O 269956a_100011218706_100000204269 [0,2,0,0,0,0|1,0,0]=3 1489 B15R0.959 COC(=O)CCC(=O)CCCCCC(=O)N 1458a_100000187943_100009817443 [0,2,0,0,0,0|1,0,1]=4 1490 B15R0.959 COC(=O)CCN(C)CCCCCC(=O)N 269982a_100025711912_100009817443 [0,2,0,0,0,0|2,0,0]=4 1491 B15R0.1698 COC(=O)C(C)CCNCCCCC(=O)N 34a_100000696515_100000034942 [0,2,0,0,0,0|2,0,0]=4 1492 B15R0.1698 COC(=O)C(C)CCNCCOCC(=O)O 269956a_100000700818_100000034942 [0,2,0,0,0,0|2,0,0]=4 1493 B15R0.1698 COC(=O)C(C)CCOCCCCC(=O)N 34a_100012022536_100000034942 [0,2,0,0,0,0|2,0,0]=4 1494 B15R0.1698 COC(=O)C(C)CCOCCCCC(=O)N 7a_100012022536_100000034942 [0,2,0,0,0,0|2,0,0]=4 1495 B15R0.1698 COC(=O)C(C)CCSCCCCC(=O)C 62a_100000034942_100000735457 [0,2,0,0,0,0|2,0,0]=4 1496 B15R0.1698 COC(=O)C(C)CCSCCCCC(=O)C 62a_100000735457_100000034942 [0,2,0,0,0,0|2,0,0]=4 1497 B15R0.1698 COC(=O)C(C)COCCCCCC(=O)N 34a_100000123541_100000698445 [0,2,0,0,0,0|2,0,0]=4 1498 B15R0.1698 COC(=O)C(C)COCCCCCC(=O)N 34a_100000749362_100009817443 [0,2,0,0,0,0|2,0,0]=4 1499 B15R0.1698 COC(=O)C(C)COCCCCCC(=O)N 7a_100000749362_100009817443 [0,2,0,0,0,0|2,0,0]=4 1500 B15R0.1698 COC(=O)C(C)CSCCCCCC(=O)N 62a_100000698445_100009817443 [0,2,0,0,0,0|2,0,0]=4 1501 B15R0.1698 COC(=O)C(C)CSCCCCCC(=O)N 62a_100009817443_100000698445 [0,2,0,0,0,0|2,0,0]=4 1502 B15R0.1698 COC(=O)C(F)COCCCCCC(=O)N 34a_200009849844_100009817443 [0,2,0,0,0,0|2,0,0]=4 1503 B15R0.1698 COC(=O)[C@H](N)COCCCCCC(=O)N 34a_100000003586_100009817443 [0,2,0,0,0,0|2,0,0]=4 1504 B15R0.2076 COC(=O)CCCCCC(=O)CCC(=O)N 1458a_100011215257_100009816466 [0,2,0,0,0,0|1,0,1]=4 1505 B15R0.2076 COC(=O)CCCCCN(C)CCC(=O)N 2230a_100000730477_100009816466 [0,2,0,0,0,0|2,0,0]=4 1506 B15R0.2025 CC[C@H](CC(=O)O)NCCCCCC(=O)N 269956a_100016995926_100009817443 [0,2,0,0,0,0|2,0,0]=4 1507 B15R0.2025 NC(=O)CCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100009817443 [0,2,0,0,0,0|2,0,0]=4 1508 B15R0.5189 CC(C)(CC(=O)O)NCCCCCC(=O)N 269956a_100000755897_100009817443 [0,2,0,0,0,0|2,0,0]=4 1509 B15R0.2644 CC(C)(CNCCCCCC(=O)N)C(=O)O 269956a_100000693527_100009817443 [0,2,0,0,0,0|2,0,0]=4 1510 B15R0.2644 NC(=O)CCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100009817443 [0,2,0,0,0,0|2,0,0]=4 1511 B13R1.27 O=CCCCCSC1COC(=O)O1 62a_100000139335_100000032252 [1,0,0,1,0,0|2,0,0]=4 1512 B13R1.27 O=CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_200011292268 [1,0,0,1,0,0|2,0,0]=4 1513 B13R1.27 O=CCCCSCC1CNC(=O)O1 62a_100000181169_200011292268 [1,0,0,1,0,0|2,0,0]=4 1514 B13R1.27 O=CCCCSCC1CNC(=O)O1 62a_200011292268_100000181169 [1,0,0,1,0,0|2,0,0]=4 1515 B13R1.27 O=CCCCSCC1COC(=O)O1 62a_100000073702_200011292268 [1,0,0,1,0,0|2,0,0]=4 1516 B13R1.27 O=CCCCSCC1COC(=O)O1 62a_200011292268_100000073702 [1,0,0,1,0,0|2,0,0]=4 1517 B13R1.27 O=CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_200011292268 [1,0,0,1,0,0|2,0,0]=4 1518 B13R1.27 O=CCCCSC[C@@H]1CCC(=O)N1 62a_200011292268_100015189358 [1,0,0,1,0,0|2,0,0]=4 1519 B13R1.158 CC(=O)CCCN1CCCCC1=O 1458a_100011236284_200000210301 [1,0,0,1,0,0|2,0,0]=4 1520 B13R1.158 CC(=O)CCOC1CCCCC1=O 34a_100000759926_100000754470 [1,0,0,1,0,0|2,0,0]=4 1521 B13R1.158 CC(=O)CCOC1CCCCC1=O 7a_100000759926_100000204591 [1,0,0,1,0,0|2,0,0]=4 1522 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000053229_100000204591 [1,0,0,1,0,0|2,0,0]=4 1523 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000204591_100000053229 [1,0,0,1,0,0|2,0,0]=4 1524 B13R1.158 NC(=O)CCOC1CCCCC1=O 34a_100000757172_100000754470 [1,0,0,1,0,0|2,0,0]=4 1525 B13R1.158 NC(=O)CCOC1CCCCC1=O 34a_100011214950_100000731001 [1,0,0,1,0,0|2,0,0]=4 1526 B13R1.158 NC(=O)CCOC1CCCCC1=O 7a_100000757172_100000204591 [1,0,0,1,0,0|2,0,0]=4 1527 B13R1.158 NC(=O)CCSC1CCCCC1=O 62a_100000204591_100000744528 [1,0,0,1,0,0|2,0,0]=4 1528 B13R1.158 NC(=O)CCSC1CCCCC1=O 62a_100000744528_100000204591 [1,0,0,1,0,0|2,0,0]=4 1529 B13R1.158 NC(=O)COCC1CCCCC1=O 34a_100009861125_100000187820 [1,0,0,1,0,0|2,0,0]=4 1530 B13R1.158 NC(=O)COCC1CCCCC1=O 7a_100009861125_100000187820 [1,0,0,1,0,0|2,0,0]=4 1531 B13R1.158 O=C(O)CONC1CCCCC1=O 269956a_100000106656_100000204591 [1,0,0,1,0,0|2,0,0]=4 1532 B13R1.158 O=C([O-])COCC1CCCCC1=O 34a_100009861125_100020667443 [1,0,0,1,0,0|1,0,1]=4 1533 B13R1.158 [13CH3]C(=O)CCCN1CCCCC1=O 1458a_100011236284_200025704644 [1,0,0,1,0,0|2,0,0]=4 1534 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_100000759063_100000709159 [1,0,0,1,0,0|2,0,0]=4 1535 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_200000719330_100000685027 [1,0,0,1,0,0|2,0,0]=4 1536 B13R1.167 CC(=O)CCCOC1CCCC1=O 7a_100000759063_100000211823 [1,0,0,1,0,0|2,0,0]=4 1537 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100000211823_100011215641 [1,0,0,1,0,0|2,0,0]=4 1538 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100011215641_100000211823 [1,0,0,1,0,0|2,0,0]=4 1539 B13R1.167 NC(=O)CCCNC1CCCC1=O 34a_100000739312_100000709159 [1,0,0,1,0,0|2,0,0]=4 1540 B13R1.167 NC(=O)CCCOC1CCCC1=O 34a_200000719330_100102525003 [1,0,0,1,0,0|2,0,0]=4 1541 B13R1.167 NC(=O)CCCSC1CCCC1=O 62a_100000211823_100102525003 [1,0,0,1,0,0|2,0,0]=4 1542 B13R1.167 NC(=O)CCCSC1CCCC1=O 62a_100102525003_100000211823 [1,0,0,1,0,0|2,0,0]=4 1543 B13R1.167 O=C(O)CNCCN1CCCC1=O 269956a_100016091260_100000739059 [1,0,0,1,0,0|2,0,0]=4 1544 B13R1.224 C=CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210623 [1,0,0,1,0,0|2,0,0]=4 1545 B13R1.224 O=C(O)C1CCCCCN1CCO 269956a_100000758484_100000211926 [1,0,0,1,0,0|1,0,1]=4 1546 B13R1.224 O=CCN1CCCCCC1C(=O)O 269956a_100000758484_200015260668 [1,0,0,1,0,0|1,0,0]=3 1547 B13R1.280 CC(=O)CCN1CCCCCC1=O 1458a_200011207554_200000210301 [1,0,0,1,0,0|2,0,0]=4 1548 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747473 [1,0,0,1,0,0|2,0,0]=4 1549 B13R1.280 NC(=O)CSC1CCCCCC1=O 62a_100000747473_100000243696 [1,0,0,1,0,0|2,0,0]=4 1550 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [1,0,0,1,0,0|1,0,0]=3 1551 B13R1.280 O=C(O)CNC1CCCCNC1=O 269956a_100016091260_100000735217 [1,0,0,1,0,0|2,0,0]=4 1552 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100000243696_100020667443 [1,0,0,1,0,0|1,0,1]=4 1553 B13R1.280 O=C([O-])CSC1CCCCCC1=O 62a_100020667443_100000243696 [1,0,0,1,0,0|1,0,1]=4 1554 B13R1.280 [13CH3]C(=O)CCN1CCCCCC1=O 1458a_200011207554_200025704644 [1,0,0,1,0,0|2,0,0]=4 1555 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100000735457_100009892977 [1,0,0,1,0,0|2,0,0]=4 1556 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100009892977_100000735457 [1,0,0,1,0,0|2,0,0]=4 1557 B13R1.297 CC(=O)CCOCCC1CCC1=O 7a_100000759926_200016118888 [1,0,0,1,0,0|2,0,0]=4 1558 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_100000053229_200016118888 [1,0,0,1,0,0|2,0,0]=4 1559 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_200016118888_100000053229 [1,0,0,1,0,0|2,0,0]=4 1560 B13R1.297 NC(=O)CCCCNC1CCC1=O 34a_100000696515_100009892977 [1,0,0,1,0,0|2,0,0]=4 1561 B13R1.297 NC(=O)CCCCOC1CCC1=O 34a_100012022536_100009892977 [1,0,0,1,0,0|2,0,0]=4 1562 B13R1.297 NC(=O)CCCCOC1CCC1=O 7a_100012022536_100009892977 [1,0,0,1,0,0|2,0,0]=4 1563 B13R1.297 NC(=O)CCOCCC1CCC1=O 7a_100000757172_200016118888 [1,0,0,1,0,0|2,0,0]=4 1564 B13R1.297 NC(=O)CCSCCC1CCC1=O 62a_100000744528_200016118888 [1,0,0,1,0,0|2,0,0]=4 1565 B13R1.297 NC(=O)CCSCCC1CCC1=O 62a_200016118888_100000744528 [1,0,0,1,0,0|2,0,0]=4 1566 B13R1.297 O=C(O)COCCNC1CCC1=O 269956a_100000700818_100009892977 [1,0,0,1,0,0|2,0,0]=4 1567 B13R1.297 O=C(O)CONCCC1CCC1=O 269956a_100000106656_200016118888 [1,0,0,1,0,0|2,0,0]=4 1568 B13R1.362 O=CCCCCCSC1CC(=O)C1 62a_100009894365_100000139337 [1,0,0,1,0,0|2,0,0]=4 1569 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100000139335_100009874392 [1,0,0,1,0,0|2,0,0]=4 1570 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100009874392_100000139335 [1,0,0,1,0,0|2,0,0]=4 1571 B13R1.380 NC(=O)CC1CCCCN1CC=O 2230a_100015184752_200015260668 [1,0,0,1,0,0|2,0,0]=4 1572 B13R1.380 NC(=O)CC1CCCCN1CC=O 269982a_100015184752_200015260668 [1,0,0,1,0,0|2,0,0]=4 1573 B13R1.380 NC(=O)CC1CCCCN1CC=O 34a_100015184752_200009817547 [1,0,0,1,0,0|2,0,0]=4 1574 B13R1.572 C=CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000754431 [1,0,0,1,0,0|2,0,0]=4 1575 B13R1.572 C=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210623 [1,0,0,1,0,0|2,0,0]=4 1576 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCO 269956a_100009816435_100000211926 [1,0,0,1,0,0|1,0,1]=4 1577 B13R1.572 O=C(O)[C@H]1CCCCN1CCCO 269956a_100000763471_100011215043 [1,0,0,1,0,0|1,0,1]=4 1578 B13R1.572 O=CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200015260668 [1,0,0,1,0,0|1,0,0]=3 1579 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [1,0,0,1,0,0|2,0,0]=4 1580 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 1581 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011713584 [1,0,0,1,0,0|2,0,0]=4 1582 B13R1.670 NC(=O)[C@@H]1CCCN1CCCC=O 2230a_100000003125_200011292268 [1,0,0,1,0,0|2,0,0]=4 1583 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCO 269956a_100000743916_100000210776 [1,0,0,1,0,0|1,0,1]=4 1584 B13R1.670 O=CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_200011292268 [1,0,0,1,0,0|1,0,0]=3 1585 B13R1.670 O=CCCCN1CCSC1C(=O)O 269956a_100000035718_200011292268 [1,0,0,1,0,0|2,0,0]=4 1586 B13R1.670 O=CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_200011292268 [1,0,0,1,0,0|2,0,0]=4 1587 B13R1.3435 C=CCCCCN1CCC1C(=O)O 269956a_100000021838_100011215482 [1,0,0,1,0,0|2,0,0]=4 1588 B13R1.3435 O=C(O)C1CCN1CCCCCO 269956a_100000021838_100000746330 [1,0,0,1,0,0|1,0,1]=4 1589 B13R1.3435 O=CCCCCN1CCC1C(=O)O 269956a_100000021838_100000139335 [1,0,0,1,0,0|1,0,0]=3 1590 B13R1.589 NC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000187820 [0,0,0,1,1,0|2,0,0]=4 1591 B13R1.589 O=C([O-])CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100020667443 [0,0,0,1,1,0|1,0,1]=4 1592 B13R1.1065 CC(=O)CCCN1CCC1C(=O)O 269956a_100000021838_100011215641 [0,0,0,1,1,0|2,0,0]=4 1593 B13R1.1065 NC(=O)CCCN1CCC1C(=O)O 269956a_100000021838_100102525003 [0,0,0,1,1,0|2,0,0]=4 1594 B13R1.3576 CC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000053229 [0,0,0,1,1,0|2,0,0]=4 1595 B13R1.3576 NC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000744528 [0,0,0,1,1,0|2,0,0]=4 1596 B15R1.110 CC(=O)CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100009817362 [0,0,0,1,0,1|2,0,0]=4 1597 B15R1.110 CC(=O)CCCCOCC1CCC(=O)N1 34a_100000737831_100009817362 [0,0,0,1,0,1|2,0,0]=4 1598 B15R1.110 CC(=O)CCCCOCC1CNC(=O)O1 34a_100011315639_100009817362 [0,0,0,1,0,1|2,0,0]=4 1599 B15R1.110 CC(=O)CCCCSCC1CNC(=O)O1 62a_100000181169_100000735457 [0,0,0,1,0,1|2,0,0]=4 1600 B15R1.110 CC(=O)CCCCSCC1CNC(=O)O1 62a_100000735457_100000181169 [0,0,0,1,0,1|2,0,0]=4 1601 B15R1.110 CC(=O)CCCCSCC1COC(=O)O1 62a_100000073702_100000735457 [0,0,0,1,0,1|2,0,0]=4 1602 B15R1.110 CC(=O)CCCCSCC1COC(=O)O1 62a_100000735457_100000073702 [0,0,0,1,0,1|2,0,0]=4 1603 B15R1.110 CC(=O)CCCCSC[C@@H]1CCC(=O)N1 62a_100000735457_100015189358 [0,0,0,1,0,1|2,0,0]=4 1604 B15R1.110 CC(=O)CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000735457 [0,0,0,1,0,1|2,0,0]=4 1605 B15R1.110 NC(=O)CCCCCOC1CCC(=O)C1 34a_100012614533_100009817443 [0,0,0,1,0,1|2,0,0]=4 1606 B15R1.110 NC(=O)CCCCCOC1COC(=O)O1 34a_100000123541_100000032252 [0,0,0,1,0,1|2,0,0]=4 1607 B15R1.110 NC(=O)CCCCCSC1COC(=O)O1 62a_100009817443_100000032252 [0,0,0,1,0,1|2,0,0]=4 1608 B15R1.110 NC(=O)CCCCNCC1CNC(=O)O1 34a_100000696515_100000181169 [0,0,0,1,0,1|2,0,0]=4 1609 B15R1.110 NC(=O)CCCCNCC1COC(=O)O1 34a_100000696515_100000073702 [0,0,0,1,0,1|2,0,0]=4 1610 B15R1.110 NC(=O)CCCCOCC1CNC(=O)O1 34a_100012022536_100000181169 [0,0,0,1,0,1|2,0,0]=4 1611 B15R1.110 NC(=O)CCCCOCC1CNC(=O)O1 7a_100012022536_100000181169 [0,0,0,1,0,1|2,0,0]=4 1612 B15R1.110 NC(=O)CCCCOCC1COC(=O)O1 34a_100012022536_100000073702 [0,0,0,1,0,1|2,0,0]=4 1613 B15R1.110 NC(=O)CCCCOC[C@@H]1CCC(=O)N1 7a_100012022536_100015189358 [0,0,0,1,0,1|2,0,0]=4 1614 B15R1.110 O=C(O)COCCNCC1CNC(=O)O1 269956a_100000700818_100000181169 [0,0,0,1,0,1|2,0,0]=4 1615 B15R1.110 O=C(O)COCCNC[C@@H]1CCC(=O)N1 269956a_100000700818_100015189358 [0,0,0,1,0,1|2,0,0]=4 1616 B15R1.119 CC(=O)CCCCOC1CCCC(=O)C1 34a_100012613340_100009817362 [0,0,0,1,0,1|2,0,0]=4 1617 B15R1.119 CC(=O)CCCOCC1CCCC(=O)N1 34a_200000102386_100000685027 [0,0,0,1,0,1|2,0,0]=4 1618 B15R1.119 NC(=O)CCCOCC1CCCC(=O)N1 34a_200000102386_100102525003 [0,0,0,1,0,1|2,0,0]=4 1619 B15R1.5914 C=C(C)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000748629 [0,0,0,1,0,1|2,0,0]=4 1620 B15R1.5914 C=C(F)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000042424 [0,0,0,1,0,1|2,0,0]=4 1621 B15R1.5914 CC(=O)CCN1CCCCC1CC(=O)N 269982a_100015184752_100000053229 [0,0,0,1,0,1|2,0,0]=4 1622 B15R1.5914 CC(O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100011218427 [0,0,0,1,0,1|1,0,1]=4 1623 B15R1.5914 C[C@@H](O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100009817552 [0,0,0,1,0,1|1,0,1]=4 1624 B15R1.5914 NC(=O)CCN1CCCCC1CC(=O)N 2230a_100015184752_100000744528 [0,0,0,1,0,1|2,0,0]=4 1625 B15R1.5914 NC(=O)CCN1CCCCC1CC(=O)N 269982a_100015184752_100000744528 [0,0,0,1,0,1|2,0,0]=4 1626 B15R1.5914 NC(=O)CCN1CCCCC1CC(=O)N 34a_100015184752_100000731001 [0,0,0,1,0,1|2,0,0]=4 1627 B15R1.5914 NC(=O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000187820 [0,0,0,1,0,1|1,0,0]=3 1628 B15R1.5914 O=C(O)CCC1CCCCN1C[N+](=O)[O-] 269956a_100000694054_100000761209 [0,0,0,1,0,1|1,0,1]=4 1629 B15R1.5914 O=C([O-])CN1CCCCC1CCC(=O)O 269956a_100000694054_100020667443 [0,0,0,1,0,1|0,0,1]=3 1630 B15R1.6753 NC(=O)CCCCCOCC1CC(=O)C1 34a_100000101936_100009817443 [0,0,0,1,0,1|2,0,0]=4 1631 B15R1.6753 NC(=O)CCCCCOCC1CC(=O)C1 7a_100000123541_100009874392 [0,0,0,1,0,1|2,0,0]=4 1632 B15R1.6753 NC(=O)CCCCCSCC1CC(=O)C1 62a_100009817443_100009874392 [0,0,0,1,0,1|2,0,0]=4 1633 B15R1.6753 NC(=O)CCCCCSCC1CC(=O)C1 62a_100009874392_100009817443 [0,0,0,1,0,1|2,0,0]=4 1634 B15R1.6753 O=C([O-])CCCCCOCC1CC(=O)C1 7a_100102619762_100009874392 [0,0,0,1,0,1|1,0,1]=4 1635 B15R1.8882 C=C(C)CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000730704 [0,0,0,1,0,1|2,0,0]=4 1636 B15R1.8882 CC(=O)CCCN1CCCCC1C(=O)N 269982a_100000181395_100011215641 [0,0,0,1,0,1|2,0,0]=4 1637 B15R1.8882 CC(=O)CCCN1CCCCC1C(=O)N 34a_100000181395_100000685027 [0,0,0,1,0,1|2,0,0]=4 1638 B15R1.8882 CC(=O)CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215641 [0,0,0,1,0,1|1,0,0]=3 1639 B15R1.8882 CC(=O)CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011215641 [0,0,0,1,0,1|2,0,0]=4 1640 B15R1.8882 CC(=O)CCCN1CCSCC1C(=O)O 269956a_100011346106_100011215641 [0,0,0,1,0,1|2,0,0]=4 1641 B15R1.8882 CC(=O)CCCN1CSCCC1C(=O)O 269956a_100015185162_100011215641 [0,0,0,1,0,1|2,0,0]=4 1642 B15R1.8882 CC(=O)CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000053229 [0,0,0,1,0,1|1,0,0]=3 1643 B15R1.8882 CC(=O)NCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000189650 [0,0,0,1,0,1|2,0,0]=4 1644 B15R1.8882 CC(=O)OCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009814007 [0,0,0,1,0,1|2,0,0]=4 1645 B15R1.8882 CC(=O)OCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000076356 [0,0,0,1,0,1|2,0,0]=4 1646 B15R1.8882 CC(O)CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000718107 [0,0,0,1,0,1|1,0,1]=4 1647 B15R1.8882 CC(O)CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012276601 [0,0,0,1,0,1|1,0,1]=4 1648 B15R1.8882 NC(=O)CCCN1CCCCC1C(=O)N 269982a_100000181395_100102525003 [0,0,0,1,0,1|2,0,0]=4 1649 B15R1.8882 NC(=O)CCCN1CCCCC1C(=O)N 34a_100000181395_100102525003 [0,0,0,1,0,1|2,0,0]=4 1650 B15R1.8882 NC(=O)CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100102525003 [0,0,0,1,0,1|1,0,0]=3 1651 B15R1.8882 NC(=O)CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100102525003 [0,0,0,1,0,1|2,0,0]=4 1652 B15R1.8882 NC(=O)CCCN1CCSCC1C(=O)O 269956a_100011346106_100102525003 [0,0,0,1,0,1|2,0,0]=4 1653 B15R1.8882 NC(=O)CCCN1CSCCC1C(=O)O 269956a_100015185162_100102525003 [0,0,0,1,0,1|2,0,0]=4 1654 B15R1.8882 NC(=O)CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000744528 [0,0,0,1,0,1|1,0,0]=3 1655 B15R1.8882 NC(=O)NCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000034859 [0,0,0,1,0,1|2,0,0]=4 1656 B15R1.8944 CC(=O)CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000735457 [0,0,0,1,0,1|1,0,0]=3 1657 B15R1.8944 CC(=O)CCCCN1CCSC1C(=O)O 269956a_100000035718_100000735457 [0,0,0,1,0,1|2,0,0]=4 1658 B15R1.8944 CC(=O)CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000735457 [0,0,0,1,0,1|2,0,0]=4 1659 B15R1.8944 CC(=O)OCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000042594 [0,0,0,1,0,1|2,0,0]=4 1660 B15R1.8944 CC(=O)SCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000038929 [0,0,0,1,0,1|2,0,0]=4 1661 B15R1.8944 NC(=O)COCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000076697 [0,0,0,1,0,1|2,0,0]=4 1662 B15R1.8944 O=C(O)[C@@H]1CCCN1CCCCB(O)O 269956a_100000743916_200009817182 [0,0,0,1,0,1|1,0,1]=4 1663 B15R1.8959 CC(=O)OCCCCN1CCC1C(=O)O 269956a_100000021838_100000033659 [0,0,0,1,0,1|2,0,0]=4 1664 B15R1.8959 CC(=O)SCCCCN1CCC1C(=O)O 269956a_100000021838_200010402107 [0,0,0,1,0,1|2,0,0]=4 1665 B15R1.8959 NC(=O)CCCCCN1CCC1C(=O)O 269956a_100000021838_100009817443 [0,0,0,1,0,1|1,0,0]=3 1666 B15R1.8959 O=C(O)C1CCN1CCCCCB(O)O 269956a_100000021838_200009817188 [0,0,0,1,0,1|1,0,1]=4 1667 B15R1.12182 C=C(C)CCN1CCCCCC1C(=O)O 269956a_100000758484_100000730704 [0,0,0,1,0,1|2,0,0]=4 1668 B15R1.12182 CC(=O)CCN1CCCCCC1C(=O)O 269956a_100000758484_100000053229 [0,0,0,1,0,1|1,0,0]=3 1669 B15R1.12182 CC(=O)OCN1CCCCCC1C(=O)O 269956a_100000758484_100000076356 [0,0,0,1,0,1|2,0,0]=4 1670 B15R1.12182 CC(O)CCN1CCCCCC1C(=O)O 269956a_100000758484_100012276601 [0,0,0,1,0,1|1,0,1]=4 1671 B15R1.12182 NC(=O)CCN1CCCCCC1C(=O)O 269956a_100000758484_100000744528 [0,0,0,1,0,1|1,0,0]=3 1672 B15R1.5468 CN(CCCC(=O)O)CC1CNC(=O)O1 269956a_100000719178_100000181169 [0,1,0,1,0,0|2,0,0]=4 1673 B15R1.5468 CN(CCCC(=O)O)C[C@@H]1CCC(=O)N1 269956a_100000719178_100015189358 [0,1,0,1,0,0|2,0,0]=4 1674 B15R1.5483 CC(=O)CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000735457 [0,1,0,1,0,0|1,0,1]=4 1675 B15R1.6620 CC(=O)CCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000053229 [0,1,0,1,0,0|2,0,0]=4 1676 B15R1.6620 CC1CCCC(N1CCC(=O)N)C(=O)O 269956a_100000704260_100000744528 [0,1,0,1,0,0|2,0,0]=4 1677 B15R1.8435 CC(=O)CCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000053229 [0,1,0,1,0,0|2,0,0]=4 1678 B15R1.8435 NC(=O)CCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000744528 [0,1,0,1,0,0|2,0,0]=4 1679 B15R1.8879 CC(=O)CCCN1CCC(C1)CC(=O)O 269956a_100000719201_100011215641 [0,1,0,1,0,0|2,0,0]=4 1680 B15R1.8879 NC(=O)CCCN1CCC(C1)CC(=O)O 269956a_100000719201_100102525003 [0,1,0,1,0,0|2,0,0]=4 1681 B15R1.8921 CC(=O)CCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000735457 [0,1,0,1,0,0|2,0,0]=4 1682 B15R1.8923 CC(=O)CCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011215641 [0,1,0,1,0,0|2,0,0]=4 1683 B15R1.8923 NC(=O)CCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100102525003 [0,1,0,1,0,0|2,0,0]=4 1684 B15R1.9000 CC(=O)CCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000053229 [0,1,0,1,0,0|2,0,0]=4 1685 B15R1.9000 NC(=O)CCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000744528 [0,1,0,1,0,0|2,0,0]=4 1686 B15R1.942 COC(=O)CCCOC1CCCC(=O)C1 34a_100012613340_100000742333 [0,1,0,1,0,0|2,0,0]=4 1687 B15R1.942 COC(=O)CCOCC1CCCC(=O)N1 34a_200000102386_100000742370 [0,1,0,1,0,0|2,0,0]=4 1688 B15R1.961 COC(=O)CCCCOC1CCC(=O)C1 34a_100012614533_100000204269 [0,1,0,1,0,0|2,0,0]=4 1689 B15R1.961 COC(=O)CCCCOC1COC(=O)O1 34a_100000059025_100000032252 [0,1,0,1,0,0|2,0,0]=4 1690 B15R1.961 COC(=O)CCCCSC1COC(=O)O1 62a_100000204269_100000032252 [0,1,0,1,0,0|2,0,0]=4 1691 B15R1.961 COC(=O)CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218270 [0,1,0,1,0,0|2,0,0]=4 1692 B15R1.961 COC(=O)CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000742333 [0,1,0,1,0,0|2,0,0]=4 1693 B15R1.961 COC(=O)CCCOCC1CCC(=O)N1 34a_100000737831_100000742333 [0,1,0,1,0,0|2,0,0]=4 1694 B15R1.961 COC(=O)CCCOCC1CNC(=O)O1 34a_100011315639_100000742333 [0,1,0,1,0,0|2,0,0]=4 1695 B15R1.961 COC(=O)CCCSCC1CNC(=O)O1 62a_100000181169_100011218270 [0,1,0,1,0,0|2,0,0]=4 1696 B15R1.961 COC(=O)CCCSCC1CNC(=O)O1 62a_100011218270_100000181169 [0,1,0,1,0,0|2,0,0]=4 1697 B15R1.961 COC(=O)CCCSCC1COC(=O)O1 62a_100000073702_100011218270 [0,1,0,1,0,0|2,0,0]=4 1698 B15R1.961 COC(=O)CCCSCC1COC(=O)O1 62a_100011218270_100000073702 [0,1,0,1,0,0|2,0,0]=4 1699 B15R1.961 COC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100011218270_100015189358 [0,1,0,1,0,0|2,0,0]=4 1700 B15R1.961 COC(=O)CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218270 [0,1,0,1,0,0|2,0,0]=4 1701 B15R1.985 COC(=O)C1CCCCN1CCC(=O)C 269982a_100000734855_100000053229 [0,1,0,1,0,0|2,0,0]=4 1702 B15R1.985 COC(=O)C1CCCCN1CCC(=O)N 2230a_100000734855_100000744528 [0,1,0,1,0,0|2,0,0]=4 1703 B15R1.985 COC(=O)C1CCCCN1CCC(=O)N 269982a_100000734855_100000744528 [0,1,0,1,0,0|2,0,0]=4 1704 B15R1.985 COC(=O)C1CCCCN1CCC(=O)N 34a_100000734855_100000731001 [0,1,0,1,0,0|2,0,0]=4 1705 B15R1.985 COC(=O)[C@@H]1CCCC[C@@H]1OCC(=O)N 34a_100015709673_100000187820 [0,1,0,1,0,0|2,0,0]=4 1706 B15R1.985 COC(=O)[C@@H]1CCCC[C@@H]1OCC(=O)N 7a_100015709673_100000187820 [0,1,0,1,0,0|2,0,0]=4 1707 B15R1.985 COC(=O)[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015709673_100020667443 [0,1,0,1,0,0|1,0,1]=4 1708 B15R1.997 COC(=O)C1CCCC1OCCC(=O)C 7a_200000081814_100000053229 [0,1,0,1,0,0|2,0,0]=4 1709 B15R1.997 COC(=O)C1CCCC1OCCC(=O)N 34a_200000081814_100000731001 [0,1,0,1,0,0|2,0,0]=4 1710 B15R1.997 COC(=O)C1CCCC1OCCC(=O)N 7a_200000081814_100000744528 [0,1,0,1,0,0|2,0,0]=4 1711 B15R1.997 COC(=O)[C@@H]1CCCN1CCCC(=O)C 269982a_100000752040_100011215641 [0,1,0,1,0,0|2,0,0]=4 1712 B15R1.997 COC(=O)[C@@H]1CCCN1CCCC(=O)N 269982a_100000752040_100102525003 [0,1,0,1,0,0|2,0,0]=4 1713 B15R1.1095 COC(=O)CCCCCSC1CC(=O)C1 62a_100009894365_100009816466 [0,1,0,1,0,0|2,0,0]=4 1714 B15R1.1095 COC(=O)CCCCOCC1CC(=O)C1 34a_100000101936_100000204269 [0,1,0,1,0,0|2,0,0]=4 1715 B15R1.1095 COC(=O)CCCCOCC1CC(=O)C1 7a_100000059025_100009874392 [0,1,0,1,0,0|2,0,0]=4 1716 B15R1.1095 COC(=O)CCCCSCC1CC(=O)C1 62a_100000204269_100009874392 [0,1,0,1,0,0|2,0,0]=4 1717 B15R1.1095 COC(=O)CCCCSCC1CC(=O)C1 62a_100009874392_100000204269 [0,1,0,1,0,0|2,0,0]=4 1718 B15R1.1108 CCC(=O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000747405 [0,1,0,1,0,0|2,0,0]=4 1719 B15R1.1108 CNC(=O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000737683 [0,1,0,1,0,0|2,0,0]=4 1720 B15R1.1108 CNC(=O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000183359 [0,1,0,1,0,0|2,0,0]=4 1721 B15R1.1108 COC(=O)CCN1CCCCC1C(=O)N 2230a_100000181395_100000204255 [0,1,0,1,0,0|2,0,0]=4 1722 B15R1.1108 COC(=O)CCN1CCCCC1C(=O)N 269982a_100000181395_100000204255 [0,1,0,1,0,0|2,0,0]=4 1723 B15R1.1108 COC(=O)CCN1CCCCC1C(=O)N 34a_100000181395_100000742370 [0,1,0,1,0,0|2,0,0]=4 1724 B15R1.1108 COC(=O)CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000204255 [0,1,0,1,0,0|1,0,0]=3 1725 B15R1.1108 COC(=O)CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000204255 [0,1,0,1,0,0|2,0,0]=4 1726 B15R1.1108 COC(=O)CCN1CCSCC1C(=O)O 269956a_100011346106_100000204255 [0,1,0,1,0,0|2,0,0]=4 1727 B15R1.1108 COC(=O)CCN1CSCCC1C(=O)O 269956a_100015185162_100000204255 [0,1,0,1,0,0|2,0,0]=4 1728 B15R1.1108 COC(=O)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000747449 [0,1,0,1,0,0|1,0,0]=3 1729 B15R1.3181 CNC(=O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000741757 [0,1,0,1,0,0|2,0,0]=4 1730 B15R1.3181 COC(=O)CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218270 [0,1,0,1,0,0|2,0,0]=4 1731 B15R1.3181 COC(=O)CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218270 [0,1,0,1,0,0|1,0,0]=3 1732 B15R1.3181 COC(=O)CCCN1CCSC1C(=O)O 269956a_100000035718_100011218270 [0,1,0,1,0,0|2,0,0]=4 1733 B15R1.3181 COC(=O)CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011218270 [0,1,0,1,0,0|2,0,0]=4 1734 B15R1.3845 COC(=O)CN1CCCCC1CC(=O)N 2230a_100015184752_100000747449 [0,1,0,1,0,0|2,0,0]=4 1735 B15R1.3845 COC(=O)CN1CCCCC1CC(=O)N 269982a_100015184752_100000747449 [0,1,0,1,0,0|2,0,0]=4 1736 B15R1.3845 COC(=O)CN1CCCCC1CC(=O)N 34a_100015184752_100000747449 [0,1,0,1,0,0|2,0,0]=4 1737 B15R1.3852 COC(=O)C[C@H]1CCCN1CCC(=O)C 269982a_100025726698_100000053229 [0,1,0,1,0,0|2,0,0]=4 1738 B15R1.3852 COC(=O)C[C@H]1CCCN1CCC(=O)N 2230a_100025726698_100000744528 [0,1,0,1,0,0|2,0,0]=4 1739 B15R1.3852 COC(=O)C[C@H]1CCCN1CCC(=O)N 269982a_100025726698_100000744528 [0,1,0,1,0,0|2,0,0]=4 1740 B15R1.3852 COC(=O)C[C@H]1CCCN1CCC(=O)N 34a_100025726698_100000731001 [0,1,0,1,0,0|2,0,0]=4 1741 B15R1.11360 COC(=O)C1CN1CCCCCC(=O)N 2230a_200009830135_100009817443 [0,1,0,1,0,0|2,0,0]=4 1742 B15R1.11398 CCC(=O)CN1CCCCCC1C(=O)O 269956a_100000758484_100000747405 [0,1,0,1,0,0|2,0,0]=4 1743 B15R1.11398 CNC(=O)CN1CCCCCC1C(=O)O 269956a_100000758484_100000183359 [0,1,0,1,0,0|2,0,0]=4 1744 B15R1.11398 COC(=O)CN1CCCCCC1C(=O)O 269956a_100000758484_100000747449 [0,1,0,1,0,0|1,0,0]=3 1745 B15R1.11441 COC(=O)CCCCN1CCC1C(=O)O 269956a_100000021838_100000204269 [0,1,0,1,0,0|1,0,0]=3 1746 B15R1.11735 COC(=O)[C@@H]1CCN1CCCCC(=O)C 269982a_102516456887_100000735457 [0,1,0,1,0,0|2,0,0]=4 1747 B15R1.109 O=C(O)CC(O)CNCC1CNC(=O)O1 269956a_100011218706_100000181169 [0,1,0,1,0,0|2,0,0]=4 1748 B15R1.109 O=C(O)CC(O)CNC[C@@H]1CCC(=O)N1 269956a_100011218706_100015189358 [0,1,0,1,0,0|2,0,0]=4 1749 B15R1.8936 CC(=O)CCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000053229 [0,1,0,1,0,0|2,0,0]=4 1750 B15R1.8936 NC(=O)CCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000744528 [0,1,0,1,0,0|2,0,0]=4 1751 B15R1.8875 CC(=O)C(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100009814033 [0,1,0,1,0,0|2,0,0]=4 1752 B15R1.8961 CC(=O)CCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000735457 [0,1,0,1,0,0|2,0,0]=4 1753 B15R1.8985 CC(=O)C(C)N1CCCCCC1C(=O)O 269956a_100000758484_100009814033 [0,1,0,1,0,0|2,0,0]=4 1754 B15R1.23929 CC(=O)CCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000053229 [0,1,0,1,0,0|2,0,0]=4 1755 B15R1.23929 CC1(CCCCN1CCC(=O)N)C(=O)O 269956a_100000698061_100000744528 [0,1,0,1,0,0|2,0,0]=4 1756 B15R1.30957 CC(=O)CCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100011215641 [0,1,0,1,0,0|2,0,0]=4 1757 B15R1.30957 C[C@]1(CCCN1CCCC(=O)N)C(=O)O 269956a_100009816582_100102525003 [0,1,0,1,0,0|2,0,0]=4 1758 B15R1.5706 CC(=O)CCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011215641 [0,1,0,1,0,0|2,0,0]=4 1759 B15R1.5706 CC(=O)CCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011215641 [0,1,0,1,0,0|2,0,0]=4 1760 B15R1.5706 NC(=O)CCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100102525003 [0,1,0,1,0,0|2,0,0]=4 1761 B15R1.5706 NC(=O)CCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100102525003 [0,1,0,1,0,0|2,0,0]=4 1762 B15R1.8415 CC(=O)CCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000053229 [0,1,0,1,0,0|2,0,0]=4 1763 B15R1.8415 C[C@@H]1CCN([C@H](C1)C(=O)O)CCC(=O)N 269956a_100009817619_100000744528 [0,1,0,1,0,0|2,0,0]=4 1764 B15R2.6958 O=C1CC[C@H](N1)CN2CCC2C(=O)O 269956a_100000021838_100015189358 [0,0,0,2,0,0|2,0,0]=4 1765 B15R2.6958 O=C1NCC(O1)CN2CCC2C(=O)O 269956a_100000021838_100000181169 [0,0,0,2,0,0|2,0,0]=4 1766 B15R2.1084 O=C1CC(C1)N2CCCC[C@@H]2C(=O)O 269956a_100000763471_100009894365 [0,0,0,2,0,0|2,0,0]=4 1767 B15R2.9533 O=C1CC(C1)CN2CCC[C@H]2C(=O)O 269956a_100000743916_100009874392 [0,0,0,2,0,0|2,0,0]=4 1768 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,0,0,0,2,0|2,0,0]=4 1769 B15R0.222 CC(=O)CCCCCCCCCCC(=O)N 1458a_100000070787_200010167045 [0,0,0,0,0,2|2,0,0]=4 1770 B15R0.222 CC(=O)CCCCNCCCCNC(=O)C 34a_200011368371_100009817362 [0,0,0,0,0,2|2,0,0]=4 1771 B15R0.222 CC(=O)CCCCOCCCCCC(=O)N 34a_100000123541_100009817362 [0,0,0,0,0,2|2,0,0]=4 1772 B15R0.222 CC(=O)CCCCOCCCCCC(=O)N 7a_100000123541_100000735457 [0,0,0,0,0,2|2,0,0]=4 1773 B15R0.222 CC(=O)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000735457 [0,0,0,0,0,2|1,0,1]=4 1774 B15R0.222 CC(=O)CCCCOCCCCOC(=O)C 34a_100000073216_100009817362 [0,0,0,0,0,2|2,0,0]=4 1775 B15R0.222 CC(=O)CCCCOCCCCOC(=O)C 7a_100000073216_100000735457 [0,0,0,0,0,2|2,0,0]=4 1776 B15R0.222 CC(=O)CCCCSCCCCCC(=O)N 62a_100000735457_100009817443 [0,0,0,0,0,2|2,0,0]=4 1777 B15R0.222 CC(=O)CCCCSCCCCCC(=O)N 62a_100009817443_100000735457 [0,0,0,0,0,2|2,0,0]=4 1778 B15R0.222 CC(=O)CCCCSCCCCOC(=O)C 62a_100000033659_100000735457 [0,0,0,0,0,2|2,0,0]=4 1779 B15R0.222 CC(=O)CCCCSCCCCOC(=O)C 62a_100000735457_100000033659 [0,0,0,0,0,2|2,0,0]=4 1780 B15R0.222 CC(=O)CCCCSCCCCSC(=O)C 62a_100000735457_200010402107 [0,0,0,0,0,2|2,0,0]=4 1781 B15R0.222 CC(=O)CCCCSCCCCSC(=O)C 62a_200010402107_100000735457 [0,0,0,0,0,2|2,0,0]=4 1782 B15R0.222 CC(=O)CCCNCCCCCNC(=O)C 34a_200012022750_100000685027 [0,0,0,0,0,2|2,0,0]=4 1783 B15R0.222 CC(=O)CCCOCCCCCOC(=O)C 34a_100000759063_100000033007 [0,0,0,0,0,2|2,0,0]=4 1784 B15R0.222 CC(=O)CCCOCCCCCOC(=O)C 7a_100000759063_100000033007 [0,0,0,0,0,2|2,0,0]=4 1785 B15R0.222 CC(=O)CCCSCCCCCOC(=O)C 62a_100000033007_100011215641 [0,0,0,0,0,2|2,0,0]=4 1786 B15R0.222 CC(=O)CCCSCCCCCOC(=O)C 62a_100011215641_100000033007 [0,0,0,0,0,2|2,0,0]=4 1787 B15R0.222 CC(=O)CCNCCOCCOCC(=O)O 269956a_100009854275_100000053229 [0,0,0,0,0,2|2,0,0]=4 1788 B15R0.222 CC(=O)NCCCCCCNCCC(=O)N 2230a_200011996284_100000744528 [0,0,0,0,0,2|2,0,0]=4 1789 B15R0.222 CC(=O)NCCCCCCNCCC(=O)N 34a_200011996284_100000731001 [0,0,0,0,0,2|2,0,0]=4 1790 B15R0.222 CC(=O)NCCCCCNCCCC(=O)N 34a_200012022750_100102525003 [0,0,0,0,0,2|2,0,0]=4 1791 B15R0.222 CC(=O)NCCCNCCCCCC(=O)N 34a_100000736810_100009817443 [0,0,0,0,0,2|2,0,0]=4 1792 B15R0.222 CC(=O)NCCCOCCCCCC(=O)N 34a_100000752032_100009817443 [0,0,0,0,0,2|2,0,0]=4 1793 B15R0.222 CC(=O)OCCCCCNCCCC(=O)N 34a_100000739312_100000033007 [0,0,0,0,0,2|2,0,0]=4 1794 B15R0.222 CC(=O)OCCCCCSCCCC(=O)N 62a_100000033007_100102525003 [0,0,0,0,0,2|2,0,0]=4 1795 B15R0.222 CC(=O)OCCCCCSCCCC(=O)N 62a_100102525003_100000033007 [0,0,0,0,0,2|2,0,0]=4 1796 B15R0.222 CC(=O)OCCCCNCCCCC(=O)N 34a_100000696515_100000033659 [0,0,0,0,0,2|2,0,0]=4 1797 B15R0.222 CC(=O)OCCCCNCCOCC(=O)O 269956a_100000700818_100000033659 [0,0,0,0,0,2|2,0,0]=4 1798 B15R0.222 CC(=O)OCCCCOCCCCC(=O)N 34a_100012022536_100000033659 [0,0,0,0,0,2|2,0,0]=4 1799 B15R0.222 CC(=O)OCCCCOCCCCC(=O)N 7a_100012022536_100000033659 [0,0,0,0,0,2|2,0,0]=4 1800 B15R0.222 CC(=O)OCCCOCCCCCC(=O)N 34a_100000123541_100000042594 [0,0,0,0,0,2|2,0,0]=4 1801 B15R0.222 CC(=O)OCCCOCCCCCC(=O)N 7a_100000123541_100000042594 [0,0,0,0,0,2|2,0,0]=4 1802 B15R0.222 CC(=O)OCCCOCCCCCC(=O)[O-] 7a_100102619762_100000042594 [0,0,0,0,0,2|1,0,1]=4 1803 B15R0.222 CC(=O)OCCCSCCCCCC(=O)N 62a_100000042594_100009817443 [0,0,0,0,0,2|2,0,0]=4 1804 B15R0.222 CC(=O)OCCCSCCCCCC(=O)N 62a_100009817443_100000042594 [0,0,0,0,0,2|2,0,0]=4 1805 B15R0.222 CC(=O)SCCCCNCCCCC(=O)N 34a_100000696515_200010402107 [0,0,0,0,0,2|2,0,0]=4 1806 B15R0.222 CC(=O)SCCCCNCCOCC(=O)O 269956a_100000700818_200010402107 [0,0,0,0,0,2|2,0,0]=4 1807 B15R0.222 CC(=O)SCCCCOCCCCC(=O)N 34a_100012022536_200010402107 [0,0,0,0,0,2|2,0,0]=4 1808 B15R0.222 CC(=O)SCCCCOCCCCC(=O)N 7a_100012022536_200010402107 [0,0,0,0,0,2|2,0,0]=4 1809 B15R0.222 CC(=O)SCCCOCCCCCC(=O)N 34a_100000123541_100000038929 [0,0,0,0,0,2|2,0,0]=4 1810 B15R0.222 CC(=O)SCCCOCCCCCC(=O)N 7a_100000123541_100000038929 [0,0,0,0,0,2|2,0,0]=4 1811 B15R0.222 CC(=O)SCCCOCCCCCC(=O)[O-] 7a_100102619762_100000038929 [0,0,0,0,0,2|1,0,1]=4 1812 B15R0.222 CC(=O)SCCCSCCCCCC(=O)N 62a_100000038929_100009817443 [0,0,0,0,0,2|2,0,0]=4 1813 B15R0.222 CC(=O)SCCCSCCCCCC(=O)N 62a_100009817443_100000038929 [0,0,0,0,0,2|2,0,0]=4 1814 B15R0.222 NC(=O)CCCCCNCCCCC(=O)N 34a_100000696515_100009817443 [0,0,0,0,0,2|2,0,0]=4 1815 B15R0.222 NC(=O)CCCCCNCCOCC(=O)O 269956a_100000700818_100009817443 [0,0,0,0,0,2|1,0,0]=3 1816 B15R0.222 NC(=O)CCCCCOCCCCC(=O)N 34a_100012022536_100009817443 [0,0,0,0,0,2|2,0,0]=4 1817 B15R0.222 NC(=O)CCCCCOCCCCC(=O)N 7a_100012022536_100009817443 [0,0,0,0,0,2|2,0,0]=4 1818 B15R0.222 NC(=O)CCCCCOCCOCC(=O)N 34a_100000123541_100000076697 [0,0,0,0,0,2|2,0,0]=4 1819 B15R0.222 NC(=O)CCCCCOCCOCC(=O)N 7a_100000123541_100000076697 [0,0,0,0,0,2|2,0,0]=4 1820 B15R0.222 NC(=O)CCCCCSCCOCC(=O)N 62a_100000076697_100009817443 [0,0,0,0,0,2|2,0,0]=4 1821 B15R0.222 NC(=O)CCCCCSCCOCC(=O)N 62a_100009817443_100000076697 [0,0,0,0,0,2|2,0,0]=4 1822 B15R0.222 NC(=O)CCNCCOCCOCC(=O)O 269956a_100009854275_100000744528 [0,0,0,0,0,2|2,0,0]=4 1823 B15R0.222 NC(=O)COCCOCCCCCC(=O)[O-] 7a_100102619762_100000076697 [0,0,0,0,0,2|1,0,1]=4 1824 B15R0.222 O=C(O)COCCNCCCCCB(O)O 269956a_100000700818_200009817188 [0,0,0,0,0,2|1,0,1]=4