0 B14R0.394 C#CCCCCCCCCOCC(=O)N 34a_100000065265_100000187820 [0,0,0,0,0,0|3,0,1]=4 1 B14R0.394 C#CCCCCCCCCOCC(=O)N 7a_100000065265_100000187820 [0,0,0,0,0,0|3,0,1]=4 2 B14R0.394 C#CCCCCCCCCOCC(=O)[O-] 34a_100000065265_100020667443 [0,0,0,0,0,0|2,0,2]=4 3 B14R0.394 C#CCCCCCCCNOCC(=O)O 269956a_100000106656_100153394163 [0,0,0,0,0,0|3,0,1]=4 4 B14R0.394 C#CCCCCCCCOCCC(=O)C 34a_100000759926_100153394163 [0,0,0,0,0,0|3,0,1]=4 5 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000054614_100000053229 [0,0,0,0,0,0|3,0,1]=4 6 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000759926_100153394163 [0,0,0,0,0,0|3,0,1]=4 7 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000054614_100000731001 [0,0,0,0,0,0|3,0,1]=4 8 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000757172_100153394163 [0,0,0,0,0,0|3,0,1]=4 9 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000054614_100000744528 [0,0,0,0,0,0|3,0,1]=4 10 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000757172_100153394163 [0,0,0,0,0,0|3,0,1]=4 11 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100000053229_100153394163 [0,0,0,0,0,0|3,0,1]=4 12 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100153394163_100000053229 [0,0,0,0,0,0|3,0,1]=4 13 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100000744528_100153394163 [0,0,0,0,0,0|3,0,1]=4 14 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100153394163_100000744528 [0,0,0,0,0,0|3,0,1]=4 15 B14R0.394 C#CCCCCCCNCCCC(=O)N 34a_100000739312_100012276617 [0,0,0,0,0,0|3,0,1]=4 16 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100000759063_100012276617 [0,0,0,0,0,0|3,0,1]=4 17 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100011217361_100000685027 [0,0,0,0,0,0|3,0,1]=4 18 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100000759063_100012276617 [0,0,0,0,0,0|3,0,1]=4 19 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100011217361_100011215641 [0,0,0,0,0,0|3,0,1]=4 20 B14R0.394 C#CCCCCCCOCCCC(=O)N 34a_100011217361_100102525003 [0,0,0,0,0,0|3,0,1]=4 21 B14R0.394 C#CCCCCCCOCCCC(=O)N 7a_100011217361_100102525003 [0,0,0,0,0,0|3,0,1]=4 22 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100011215641_100012276617 [0,0,0,0,0,0|3,0,1]=4 23 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100012276617_100011215641 [0,0,0,0,0,0|3,0,1]=4 24 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100012276617_100102525003 [0,0,0,0,0,0|3,0,1]=4 25 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100102525003_100012276617 [0,0,0,0,0,0|3,0,1]=4 26 B14R0.394 C#CCCCCCNCCCCC(=O)N 34a_100000696515_100012094781 [0,0,0,0,0,0|3,0,1]=4 27 B14R0.394 C#CCCCCCNCCOCC(=O)O 269956a_100000700818_100012094781 [0,0,0,0,0,0|3,0,1]=4 28 B14R0.394 C#CCCCCCOCCCCC(=O)C 34a_100000766912_100009817362 [0,0,0,0,0,0|3,0,1]=4 29 B14R0.394 C#CCCCCCOCCCCC(=O)C 7a_100000766912_100000735457 [0,0,0,0,0,0|3,0,1]=4 30 B14R0.394 C#CCCCCCOCCCCC(=O)N 34a_100012022536_100012094781 [0,0,0,0,0,0|3,0,1]=4 31 B14R0.394 C#CCCCCCOCCCCC(=O)N 7a_100012022536_100012094781 [0,0,0,0,0,0|3,0,1]=4 32 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100000735457_100012094781 [0,0,0,0,0,0|3,0,1]=4 33 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100012094781_100000735457 [0,0,0,0,0,0|3,0,1]=4 34 B14R0.394 C#CCCCCNCCCCCC(=O)N 2230a_100000706060_100009817443 [0,0,0,0,0,0|3,0,1]=4 35 B14R0.394 C#CCCCCNCCCCCC(=O)N 34a_100000706060_100009817443 [0,0,0,0,0,0|3,0,1]=4 36 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000123541_100010269958 [0,0,0,0,0,0|3,0,1]=4 37 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000766709_100009817443 [0,0,0,0,0,0|3,0,1]=4 38 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000123541_100010269958 [0,0,0,0,0,0|3,0,1]=4 39 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000766709_100009817443 [0,0,0,0,0,0|3,0,1]=4 40 B14R0.394 C#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100010269958 [0,0,0,0,0,0|2,0,2]=4 41 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100009817443_100010269958 [0,0,0,0,0,0|3,0,1]=4 42 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100010269958_100009817443 [0,0,0,0,0,0|3,0,1]=4 43 B14R0.394 C=C(Br)CCOCCCCCCCCO 34a_100009813270_100000033203 [0,0,0,0,0,0|4,0,0]=4 44 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [0,0,0,0,0,0|4,0,0]=4 45 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [0,0,0,0,0,0|4,0,0]=4 46 B14R0.394 C=C(C)CCNCCCCCCCCO 2230a_102515433106_100000730704 [0,0,0,0,0,0|4,0,0]=4 47 B14R0.394 C=C(C)CCNCCCCCCCCO 34a_102515433106_100000730704 [0,0,0,0,0,0|4,0,0]=4 48 B14R0.394 C=C(C)CCOCCCCCCCCBr 34a_100009813846_100000730704 [0,0,0,0,0,0|3,0,0]=3 49 B14R0.394 C=C(C)CCOCCCCCCCCBr 7a_100009813846_100000730704 [0,0,0,0,0,0|3,0,0]=3 50 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [0,0,0,0,0,0|4,0,0]=4 51 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [0,0,0,0,0,0|4,0,0]=4 52 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [0,0,0,0,0,0|4,0,0]=4 53 B14R0.394 C=C(C)CCOCCCCCCCCCl 34a_100000033203_100000730704 [0,0,0,0,0,0|3,1,0]=4 54 B14R0.394 C=C(C)CCOCCCCCCCCCl 7a_100000033203_100000730704 [0,0,0,0,0,0|3,1,0]=4 55 B14R0.394 C=C(C)CCOCCCCCCCCN 34a_102515433106_100000730704 [0,0,0,0,0,0|4,0,0]=4 56 B14R0.394 C=C(C)CCOCCCCCCCCO 34a_100000764851_100000033203 [0,0,0,0,0,0|4,0,0]=4 57 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000033203_100000730704 [0,0,0,0,0,0|4,0,0]=4 58 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000730704_100000033203 [0,0,0,0,0,0|4,0,0]=4 59 B14R0.394 C=C(C)CNCCCCCCCCCC 2230a_100000684558_100000748629 [0,0,0,0,0,0|4,0,0]=4 60 B14R0.394 C=C(C)CNCCCCCCCCCC 34a_100000684558_100000748629 [0,0,0,0,0,0|4,0,0]=4 61 B14R0.394 C=C(C)CNCCCCCCCCCO 2230a_100000078944_100000748629 [0,0,0,0,0,0|4,0,0]=4 62 B14R0.394 C=C(C)CNCCCCCCCCCO 34a_100000078944_100000748629 [0,0,0,0,0,0|4,0,0]=4 63 B14R0.394 C=C(C)COCCCCCCCCCBr 34a_100009813782_100000748629 [0,0,0,0,0,0|3,0,0]=3 64 B14R0.394 C=C(C)COCCCCCCCCCBr 7a_100009813782_100000748629 [0,0,0,0,0,0|3,0,0]=3 65 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210245_100000210320 [0,0,0,0,0,0|4,0,0]=4 66 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210711_100000748629 [0,0,0,0,0,0|4,0,0]=4 67 B14R0.394 C=C(C)COCCCCCCCCCC 7a_100000210711_100000748629 [0,0,0,0,0,0|4,0,0]=4 68 B14R0.394 C=C(C)COCCCCCCCCCCl 34a_100009868337_100000748629 [0,0,0,0,0,0|3,1,0]=4 69 B14R0.394 C=C(C)COCCCCCCCCCCl 7a_100009868337_100000748629 [0,0,0,0,0,0|3,1,0]=4 70 B14R0.394 C=C(C)COCCCCCCCCCN 34a_100000078944_100000748629 [0,0,0,0,0,0|4,0,0]=4 71 B14R0.394 C=C(C)COCCCCCCCCCO 34a_100000210245_100009813782 [0,0,0,0,0,0|4,0,0]=4 72 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100000748629_100009813782 [0,0,0,0,0,0|4,0,0]=4 73 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100009813782_100000211660 [0,0,0,0,0,0|4,0,0]=4 74 B14R0.394 C=C(F)CNCCCCCCCCCC 2230a_100000684558_100009893438 [0,0,0,0,0,0|4,0,0]=4 75 B14R0.394 C=C(F)CNCCCCCCCCCC 34a_100000684558_100009893438 [0,0,0,0,0,0|4,0,0]=4 76 B14R0.394 C=C(F)CNCCCCCCCCCO 2230a_100000078944_100009893438 [0,0,0,0,0,0|4,0,0]=4 77 B14R0.394 C=C(F)CNCCCCCCCCCO 34a_100000078944_100009893438 [0,0,0,0,0,0|4,0,0]=4 78 B14R0.394 C=C(F)COCCCCCCCCCBr 34a_100009813782_100009893438 [0,0,0,0,0,0|3,0,0]=3 79 B14R0.394 C=C(F)COCCCCCCCCCBr 7a_100009813782_100000042424 [0,0,0,0,0,0|3,0,0]=3 80 B14R0.394 C=C(F)COCCCCCCCCCC 34a_100000210711_100009893438 [0,0,0,0,0,0|4,0,0]=4 81 B14R0.394 C=C(F)COCCCCCCCCCC 34a_200010262243_100000210320 [0,0,0,0,0,0|4,0,0]=4 82 B14R0.394 C=C(F)COCCCCCCCCCC 7a_100000210711_100000042424 [0,0,0,0,0,0|4,0,0]=4 83 B14R0.394 C=C(F)COCCCCCCCCCCl 34a_100009868337_100009893438 [0,0,0,0,0,0|3,1,0]=4 84 B14R0.394 C=C(F)COCCCCCCCCCCl 7a_100009868337_100000042424 [0,0,0,0,0,0|3,1,0]=4 85 B14R0.394 C=C(F)COCCCCCCCCCN 34a_100000078944_100009893438 [0,0,0,0,0,0|4,0,0]=4 86 B14R0.394 C=C(F)COCCCCCCCCCO 34a_200010262243_100009813782 [0,0,0,0,0,0|4,0,0]=4 87 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100000042424_100009813782 [0,0,0,0,0,0|4,0,0]=4 88 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100009813782_100000042424 [0,0,0,0,0,0|4,0,0]=4 89 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [0,0,0,0,0,0|2,0,1]=3 90 B14R0.394 C=CCCCCCCCCCNC(=O)C 11a_100000081888_100015343762 [0,0,0,0,0,0|3,0,1]=4 91 B14R0.394 C=CCCCCCCCCCNC(=O)C 1626a_100000081888_100015343762 [0,0,0,0,0,0|3,0,1]=4 92 B14R0.394 C=CCCCCCCCCCNC(=O)C 240690a_100000081888_100015343762 [0,0,0,0,0,0|3,0,1]=4 93 B14R0.394 C=CCCCCCCCCCNC(=O)C 527a_100000081888_100103153847 [0,0,0,0,0,0|3,0,1]=4 94 B14R0.394 C=CCCCCCCCCNCC(=O)N 2230a_100000711301_100011933949 [0,0,0,0,0,0|3,0,1]=4 95 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [0,0,0,0,0,0|2,0,1]=3 96 B14R0.394 C=CCCCCCCCCOCC(=O)C 34a_100000211253_100011933949 [0,0,0,0,0,0|3,0,1]=4 97 B14R0.394 C=CCCCCCCCCOCC(=O)N 34a_100011215194_100000187820 [0,0,0,0,0,0|3,0,1]=4 98 B14R0.394 C=CCCCCCCCCOCC(=O)N 7a_100011215194_100000187820 [0,0,0,0,0,0|3,0,1]=4 99 B14R0.394 C=CCCCCCCCCOCC(=O)[O-] 34a_100011215194_100020667443 [0,0,0,0,0,0|2,0,2]=4 100 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100000747473_100011933949 [0,0,0,0,0,0|3,0,1]=4 101 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100011933949_100000747473 [0,0,0,0,0,0|3,0,1]=4 102 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100011933949_100020667443 [0,0,0,0,0,0|2,0,2]=4 103 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011933949 [0,0,0,0,0,0|2,0,2]=4 104 B14R0.394 C=CCCCCCCCNOCC(=O)O 269956a_100000106656_100012355270 [0,0,0,0,0,0|3,0,1]=4 105 B14R0.394 C=CCCCCCCCOCCC(=O)C 34a_100000759926_100012355270 [0,0,0,0,0,0|3,0,1]=4 106 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000730831_100000053229 [0,0,0,0,0,0|3,0,1]=4 107 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000759926_100012355270 [0,0,0,0,0,0|3,0,1]=4 108 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000730831_100000731001 [0,0,0,0,0,0|3,0,1]=4 109 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000757172_100012355270 [0,0,0,0,0,0|3,0,1]=4 110 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000730831_100000744528 [0,0,0,0,0,0|3,0,1]=4 111 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000757172_100012355270 [0,0,0,0,0,0|3,0,1]=4 112 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100000053229_100012355270 [0,0,0,0,0,0|3,0,1]=4 113 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100012355270_100000053229 [0,0,0,0,0,0|3,0,1]=4 114 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100000744528_100012355270 [0,0,0,0,0,0|3,0,1]=4 115 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100012355270_100000744528 [0,0,0,0,0,0|3,0,1]=4 116 B14R0.394 C=CCCCCCCNCCCC(=O)N 34a_100000739312_100011215473 [0,0,0,0,0,0|3,0,1]=4 117 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_100000759063_100011215473 [0,0,0,0,0,0|3,0,1]=4 118 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_200011216477_100000685027 [0,0,0,0,0,0|3,0,1]=4 119 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_100000759063_100011215473 [0,0,0,0,0,0|3,0,1]=4 120 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_200011216477_100011215641 [0,0,0,0,0,0|3,0,1]=4 121 B14R0.394 C=CCCCCCCOCCCC(=O)N 34a_200011216477_100102525003 [0,0,0,0,0,0|3,0,1]=4 122 B14R0.394 C=CCCCCCCOCCCC(=O)N 7a_200011216477_100102525003 [0,0,0,0,0,0|3,0,1]=4 123 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215473_100011215641 [0,0,0,0,0,0|3,0,1]=4 124 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215641_100011215473 [0,0,0,0,0,0|3,0,1]=4 125 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100011215473_100102525003 [0,0,0,0,0,0|3,0,1]=4 126 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100102525003_100011215473 [0,0,0,0,0,0|3,0,1]=4 127 B14R0.394 C=CCCCCCNCCCCC(=O)N 34a_100000696515_100000700193 [0,0,0,0,0,0|3,0,1]=4 128 B14R0.394 C=CCCCCCNCCOCC(=O)O 269956a_100000700818_100000700193 [0,0,0,0,0,0|3,0,1]=4 129 B14R0.394 C=CCCCCCOCCCCC(=O)C 34a_100011216702_100009817362 [0,0,0,0,0,0|3,0,1]=4 130 B14R0.394 C=CCCCCCOCCCCC(=O)C 7a_100011216702_100000735457 [0,0,0,0,0,0|3,0,1]=4 131 B14R0.394 C=CCCCCCOCCCCC(=O)N 34a_100012022536_100000700193 [0,0,0,0,0,0|3,0,1]=4 132 B14R0.394 C=CCCCCCOCCCCC(=O)N 7a_100012022536_100000700193 [0,0,0,0,0,0|3,0,1]=4 133 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000700193_100000735457 [0,0,0,0,0,0|3,0,1]=4 134 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000735457_100000700193 [0,0,0,0,0,0|3,0,1]=4 135 B14R0.394 C=CCCCCNCCCCCC(=O)N 2230a_100000703577_100009817443 [0,0,0,0,0,0|3,0,1]=4 136 B14R0.394 C=CCCCCNCCCCCC(=O)N 34a_100000703577_100009817443 [0,0,0,0,0,0|3,0,1]=4 137 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000123541_100011215482 [0,0,0,0,0,0|3,0,1]=4 138 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000766645_100009817443 [0,0,0,0,0,0|3,0,1]=4 139 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000123541_100011215482 [0,0,0,0,0,0|3,0,1]=4 140 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000766645_100009817443 [0,0,0,0,0,0|3,0,1]=4 141 B14R0.394 C=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215482 [0,0,0,0,0,0|2,0,2]=4 142 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100009817443_100011215482 [0,0,0,0,0,0|3,0,1]=4 143 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100011215482_100009817443 [0,0,0,0,0,0|3,0,1]=4 144 B14R0.394 CC(=CCCOCCCCCCCBr)C 34a_100000760002_100011217483 [0,0,0,0,0,0|3,0,1]=4 145 B14R0.394 CC(=CCCOCCCCCCCBr)C 7a_100000760002_100011217483 [0,0,0,0,0,0|3,0,1]=4 146 B14R0.394 CC(=CCOCCCCCCCCBr)C 34a_100009813846_100000761012 [0,0,0,0,0,0|3,0,1]=4 147 B14R0.394 CC(=CCOCCCCCCCCBr)C 7a_100009813846_100000761012 [0,0,0,0,0,0|3,0,1]=4 148 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [0,0,0,0,0,0|2,0,0]=2 149 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [0,0,0,0,0,0|3,0,0]=3 150 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [0,0,0,0,0,0|2,0,0]=2 151 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [0,0,0,0,0,0|2,0,0]=2 152 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [0,0,0,0,0,0|2,1,0]=3 153 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [0,0,0,0,0,0|2,1,0]=3 154 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [0,0,0,0,0,0|2,1,0]=3 155 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [0,0,0,0,0,0|2,1,0]=3 156 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [0,0,0,0,0,0|3,0,0]=3 157 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100000735457_100009813376 [0,0,0,0,0,0|3,0,1]=4 158 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100009813376_100000735457 [0,0,0,0,0,0|3,0,1]=4 159 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000139337_100000735457 [0,0,0,0,0,0|3,0,1]=4 160 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000735457_100000139337 [0,0,0,0,0,0|3,0,1]=4 161 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [0,0,0,0,0,0|2,1,0]=3 162 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [0,0,0,0,0,0|2,1,0]=3 163 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [0,0,0,0,0,0|3,0,0]=3 164 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [0,0,0,0,0,0|3,0,0]=3 165 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [0,0,0,0,0,0|3,0,0]=3 166 B14R0.394 CC(=O)CCCNCCCOCCCO 34a_100011310245_100000685027 [0,0,0,0,0,0|4,0,0]=4 167 B14R0.394 CC(=O)CCCOCCCCCCC#N 7a_100000759063_100009813337 [0,0,0,0,0,0|3,0,1]=4 168 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [0,0,0,0,0,0|2,0,0]=2 169 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [0,0,0,0,0,0|2,0,0]=2 170 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [0,0,0,0,0,0|3,0,0]=3 171 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [0,0,0,0,0,0|3,0,0]=3 172 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [0,0,0,0,0,0|3,0,0]=3 173 B14R0.394 CC(=O)CCCOCCCOCCCN 34a_100011310245_100000685027 [0,0,0,0,0,0|4,0,0]=4 174 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100009813337_100011215641 [0,0,0,0,0,0|3,0,1]=4 175 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100011215641_100009813337 [0,0,0,0,0,0|3,0,1]=4 176 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [0,0,0,0,0,0|3,0,0]=3 177 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [0,0,0,0,0,0|3,0,0]=3 178 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [0,0,0,0,0,0|2,0,0]=2 179 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [0,0,0,0,0,0|2,1,0]=3 180 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [0,0,0,0,0,0|3,0,0]=3 181 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [0,0,0,0,0,0|3,0,0]=3 182 B14R0.394 CC(=O)CCOCCOCCOCCBr 7a_100010132937_100000053229 [0,0,0,0,0,0|4,0,0]=4 183 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [0,0,0,0,0,0|3,0,0]=3 184 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [0,0,0,0,0,0|3,0,0]=3 185 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [0,0,0,0,0,0|3,0,0]=3 186 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [0,0,0,0,0,0|3,0,0]=3 187 B14R0.394 CC(=O)NCCCCCCNCCCF 2230a_200011996284_100011934791 [0,0,0,0,0,0|3,1,0]=4 188 B14R0.394 CC(=O)NCCCCCCNCCCF 34a_200011996284_100011934791 [0,0,0,0,0,0|3,1,0]=4 189 B14R0.394 CC(=O)NCCCCCCNCCCO 2230a_200011996284_100000230001 [0,0,0,0,0,0|4,0,0]=4 190 B14R0.394 CC(=O)NCCCCCCNCCCO 34a_200011996284_100000230001 [0,0,0,0,0,0|4,0,0]=4 191 B14R0.394 CC(=O)NCCCCCNCCCCF 2230a_200012022750_100000729493 [0,0,0,0,0,0|3,1,0]=4 192 B14R0.394 CC(=O)NCCCCCNCCCCF 34a_200012022750_100000729493 [0,0,0,0,0,0|3,1,0]=4 193 B14R0.394 CC(=O)NCCCCCNCCCCO 2230a_200012022750_100000210776 [0,0,0,0,0,0|4,0,0]=4 194 B14R0.394 CC(=O)NCCCCCNCCCCO 34a_200012022750_100011216708 [0,0,0,0,0,0|4,0,0]=4 195 B14R0.394 CC(=O)NCCCCNCCCCCF 2230a_200011368371_100000729378 [0,0,0,0,0,0|3,1,0]=4 196 B14R0.394 CC(=O)NCCCCNCCCCCF 34a_200011368371_100000729378 [0,0,0,0,0,0|3,1,0]=4 197 B14R0.394 CC(=O)NCCCCNCCCCCO 2230a_200011368371_100000746330 [0,0,0,0,0,0|4,0,0]=4 198 B14R0.394 CC(=O)NCCCCNCCCCCO 34a_200011368371_100000746330 [0,0,0,0,0,0|4,0,0]=4 199 B14R0.394 CC(=O)NCCCNCCCCCCF 34a_100000736810_100015922095 [0,0,0,0,0,0|3,1,0]=4 200 B14R0.394 CC(=O)NCCCNCCCCCCO 34a_100000736810_100000766143 [0,0,0,0,0,0|4,0,0]=4 201 B14R0.394 CC(=O)NCCCOCCCCCCF 34a_100000752032_100015922095 [0,0,0,0,0,0|3,1,0]=4 202 B14R0.394 CC(=O)NCCCOCCCCCCO 34a_100000752032_100000766143 [0,0,0,0,0,0|4,0,0]=4 203 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100000209853_100000760002 [0,0,0,0,0,0|4,0,0]=4 204 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100011996573_100000189650 [0,0,0,0,0,0|4,0,0]=4 205 B14R0.394 CC(=O)NCCOCCCCCCCBr 7a_100000760002_100000189650 [0,0,0,0,0,0|3,0,0]=3 206 B14R0.394 CC(=O)NCCOCCCCCCCO 34a_100000158858_100000760002 [0,0,0,0,0,0|4,0,0]=4 207 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000189650_100000760002 [0,0,0,0,0,0|4,0,0]=4 208 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000760002_100000189650 [0,0,0,0,0,0|4,0,0]=4 209 B14R0.394 CC(=O)OCCCCCNCCCCO 2230a_100000750430_100009813381 [0,0,0,0,0,0|4,0,0]=4 210 B14R0.394 CC(=O)OCCCCCNCCCCO 34a_100000750430_100000033007 [0,0,0,0,0,0|4,0,0]=4 211 B14R0.394 CC(=O)OCCCCCOCCCCBr 34a_100011216708_100000033007 [0,0,0,0,0,0|3,0,0]=3 212 B14R0.394 CC(=O)OCCCCCOCCCCCl 34a_100000210776_100000033007 [0,0,0,0,0,0|3,1,0]=4 213 B14R0.394 CC(=O)OCCCCCOCCCCCl 7a_100000210776_100000033007 [0,0,0,0,0,0|3,1,0]=4 214 B14R0.394 CC(=O)OCCCCCOCCCCF 34a_100011995726_100000033007 [0,0,0,0,0,0|3,1,0]=4 215 B14R0.394 CC(=O)OCCCCCOCCCCF 7a_100011995726_100000033007 [0,0,0,0,0,0|3,1,0]=4 216 B14R0.394 CC(=O)OCCCCCOCCCCI 34a_200012148704_100000033007 [0,0,0,0,0,0|3,1,0]=4 217 B14R0.394 CC(=O)OCCCCCOCCCCN 34a_100000750430_100000033007 [0,0,0,0,0,0|4,0,0]=4 218 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000033007_100000729493 [0,0,0,0,0,0|3,1,0]=4 219 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000729493_100000033007 [0,0,0,0,0,0|3,1,0]=4 220 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000033007_100000210776 [0,0,0,0,0,0|4,0,0]=4 221 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000210776_100000033007 [0,0,0,0,0,0|4,0,0]=4 222 B14R0.394 CC(=O)OCCCCNCCCCCO 34a_100000762737_100000033659 [0,0,0,0,0,0|4,0,0]=4 223 B14R0.394 CC(=O)OCCCCOCCCCCBr 34a_100000746331_100000033659 [0,0,0,0,0,0|3,0,0]=3 224 B14R0.394 CC(=O)OCCCCOCCCCCBr 7a_100000746331_100000033659 [0,0,0,0,0,0|3,0,0]=3 225 B14R0.394 CC(=O)OCCCCOCCCCCCl 34a_100000746330_100000033659 [0,0,0,0,0,0|3,1,0]=4 226 B14R0.394 CC(=O)OCCCCOCCCCCCl 7a_100000746330_100000033659 [0,0,0,0,0,0|3,1,0]=4 227 B14R0.394 CC(=O)OCCCCOCCCCCF 34a_100000073216_100000729378 [0,0,0,0,0,0|3,1,0]=4 228 B14R0.394 CC(=O)OCCCCOCCCCCF 7a_100000073216_100000729378 [0,0,0,0,0,0|3,1,0]=4 229 B14R0.394 CC(=O)OCCCCOCCCCCI 34a_200012148887_100000033659 [0,0,0,0,0,0|3,1,0]=4 230 B14R0.394 CC(=O)OCCCCOCCCCCI 7a_200012148887_100000033659 [0,0,0,0,0,0|3,1,0]=4 231 B14R0.394 CC(=O)OCCCCOCCCCCN 34a_100000762737_100000033659 [0,0,0,0,0,0|4,0,0]=4 232 B14R0.394 CC(=O)OCCCCOCCCCCO 34a_100000073216_100000746330 [0,0,0,0,0,0|4,0,0]=4 233 B14R0.394 CC(=O)OCCCCOCCCCCO 7a_100000073216_100000746330 [0,0,0,0,0,0|4,0,0]=4 234 B14R0.394 CC(=O)OCCCCOCCOCCBr 34a_100000692535_100000033659 [0,0,0,0,0,0|4,0,0]=4 235 B14R0.394 CC(=O)OCCCCOCCOCCBr 7a_100000692535_100000033659 [0,0,0,0,0,0|4,0,0]=4 236 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000033659_100000729378 [0,0,0,0,0,0|3,1,0]=4 237 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000729378_100000033659 [0,0,0,0,0,0|3,1,0]=4 238 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000033659_100000746330 [0,0,0,0,0,0|4,0,0]=4 239 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000746330_100000033659 [0,0,0,0,0,0|4,0,0]=4 240 B14R0.394 CC(=O)OCCCNCCCCCCO 34a_100000686447_100000042594 [0,0,0,0,0,0|4,0,0]=4 241 B14R0.394 CC(=O)OCCCOCCCCCCBr 34a_100011215345_100000042594 [0,0,0,0,0,0|3,0,0]=3 242 B14R0.394 CC(=O)OCCCOCCCCCCBr 7a_100011215345_100000042594 [0,0,0,0,0,0|3,0,0]=3 243 B14R0.394 CC(=O)OCCCOCCCCCCCl 34a_100000766143_100000042594 [0,0,0,0,0,0|3,1,0]=4 244 B14R0.394 CC(=O)OCCCOCCCCCCCl 7a_100000766143_100000042594 [0,0,0,0,0,0|3,1,0]=4 245 B14R0.394 CC(=O)OCCCOCCCCCCF 34a_100000732779_100000042594 [0,0,0,0,0,0|3,1,0]=4 246 B14R0.394 CC(=O)OCCCOCCCCCCF 7a_100000732779_100000042594 [0,0,0,0,0,0|3,1,0]=4 247 B14R0.394 CC(=O)OCCCOCCCCCCN 34a_100000686447_100000042594 [0,0,0,0,0,0|4,0,0]=4 248 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100000042594_100015922095 [0,0,0,0,0,0|3,1,0]=4 249 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100015922095_100000042594 [0,0,0,0,0,0|3,1,0]=4 250 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000042594_100000766143 [0,0,0,0,0,0|4,0,0]=4 251 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000766143_100000042594 [0,0,0,0,0,0|4,0,0]=4 252 B14R0.394 CC(=O)OCCNCCCCCCCO 34a_100011996573_100009814007 [0,0,0,0,0,0|4,0,0]=4 253 B14R0.394 CC(=O)OCCOCCCCCCCBr 34a_100000760002_100009814007 [0,0,0,0,0,0|3,0,0]=3 254 B14R0.394 CC(=O)OCCOCCCCCCCBr 7a_100000760002_100009814007 [0,0,0,0,0,0|3,0,0]=3 255 B14R0.394 CC(=O)OCCOCCCCCCCN 34a_100011996573_100009814007 [0,0,0,0,0,0|4,0,0]=4 256 B14R0.394 CC(=O)OCCOCCOCCCCBr 34a_100011216708_200000083610 [0,0,0,0,0,0|4,0,0]=4 257 B14R0.394 CC(=O)OCCOCOCCCCCBr 34a_100000746331_100000076355 [0,0,0,0,0,0|4,0,0]=4 258 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100000760002_100009814007 [0,0,0,0,0,0|4,0,0]=4 259 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100009814007_100000760002 [0,0,0,0,0,0|4,0,0]=4 260 B14R0.394 CC(=O)OCNCCCCCCCCO 34a_102515433106_100009813279 [0,0,0,0,0,0|4,0,0]=4 261 B14R0.394 CC(=O)OCOCCCCCCCCBr 34a_100009813846_100009813279 [0,0,0,0,0,0|3,0,0]=3 262 B14R0.394 CC(=O)OCOCCCCCCCCCl 34a_100000033203_100009813279 [0,0,0,0,0,0|3,1,0]=4 263 B14R0.394 CC(=O)OCOCCCCCCCCN 34a_102515433106_100009813279 [0,0,0,0,0,0|4,0,0]=4 264 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000033203_100000076356 [0,0,0,0,0,0|4,0,0]=4 265 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000076356_100000033203 [0,0,0,0,0,0|4,0,0]=4 266 B14R0.394 CC(=O)SCCCCNCCCCCO 2230a_100000762737_200010402107 [0,0,0,0,0,0|4,0,0]=4 267 B14R0.394 CC(=O)SCCCCNCCCCCO 34a_100000762737_200010402107 [0,0,0,0,0,0|4,0,0]=4 268 B14R0.394 CC(=O)SCCCCOCCCCCBr 34a_100000746331_200010402107 [0,0,0,0,0,0|3,0,0]=3 269 B14R0.394 CC(=O)SCCCCOCCCCCBr 7a_100000746331_200010402107 [0,0,0,0,0,0|3,0,0]=3 270 B14R0.394 CC(=O)SCCCCOCCCCCCl 34a_100000746330_200010402107 [0,0,0,0,0,0|3,1,0]=4 271 B14R0.394 CC(=O)SCCCCOCCCCCCl 7a_100000746330_200010402107 [0,0,0,0,0,0|3,1,0]=4 272 B14R0.394 CC(=O)SCCCCOCCCCCI 34a_200012148887_200010402107 [0,0,0,0,0,0|3,1,0]=4 273 B14R0.394 CC(=O)SCCCCOCCCCCI 7a_200012148887_200010402107 [0,0,0,0,0,0|3,1,0]=4 274 B14R0.394 CC(=O)SCCCCOCCCCCN 34a_100000762737_200010402107 [0,0,0,0,0,0|4,0,0]=4 275 B14R0.394 CC(=O)SCCCCOCCOCCBr 34a_100000692535_200010402107 [0,0,0,0,0,0|4,0,0]=4 276 B14R0.394 CC(=O)SCCCCOCCOCCBr 7a_100000692535_200010402107 [0,0,0,0,0,0|4,0,0]=4 277 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_100000729378_200010402107 [0,0,0,0,0,0|3,1,0]=4 278 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_200010402107_100000729378 [0,0,0,0,0,0|3,1,0]=4 279 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_100000746330_200010402107 [0,0,0,0,0,0|4,0,0]=4 280 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_200010402107_100000746330 [0,0,0,0,0,0|4,0,0]=4 281 B14R0.394 CC(=O)SCCCNCCCCCCO 2230a_100000686447_100000038929 [0,0,0,0,0,0|4,0,0]=4 282 B14R0.394 CC(=O)SCCCNCCCCCCO 34a_100000686447_100000038929 [0,0,0,0,0,0|4,0,0]=4 283 B14R0.394 CC(=O)SCCCOCCCCCCBr 34a_100011215345_100000038929 [0,0,0,0,0,0|3,0,0]=3 284 B14R0.394 CC(=O)SCCCOCCCCCCBr 7a_100011215345_100000038929 [0,0,0,0,0,0|3,0,0]=3 285 B14R0.394 CC(=O)SCCCOCCCCCCCl 34a_100000766143_100000038929 [0,0,0,0,0,0|3,1,0]=4 286 B14R0.394 CC(=O)SCCCOCCCCCCCl 7a_100000766143_100000038929 [0,0,0,0,0,0|3,1,0]=4 287 B14R0.394 CC(=O)SCCCOCCCCCCF 34a_100000732779_100000038929 [0,0,0,0,0,0|3,1,0]=4 288 B14R0.394 CC(=O)SCCCOCCCCCCF 7a_100000732779_100000038929 [0,0,0,0,0,0|3,1,0]=4 289 B14R0.394 CC(=O)SCCCOCCCCCCN 34a_100000686447_100000038929 [0,0,0,0,0,0|4,0,0]=4 290 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100000038929_100015922095 [0,0,0,0,0,0|3,1,0]=4 291 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100015922095_100000038929 [0,0,0,0,0,0|3,1,0]=4 292 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000038929_100000766143 [0,0,0,0,0,0|4,0,0]=4 293 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000766143_100000038929 [0,0,0,0,0,0|4,0,0]=4 294 B14R0.394 CC(=S)OCCCOCCCCCCBr 34a_100011215345_200135323944 [0,0,0,0,0,0|3,1,0]=4 295 B14R0.394 CC(=S)OCCCOCCCCCCBr 7a_100011215345_200135323944 [0,0,0,0,0,0|3,1,0]=4 296 B14R0.394 CC(C)CCCCCOCCCCCBr 34a_100000746331_100000210682 [0,0,0,0,0,0|3,0,1]=4 297 B14R0.394 CC(C)CCCCCOCCCCCBr 7a_100000746331_100000210682 [0,0,0,0,0,0|3,0,1]=4 298 B14R0.394 CC(C)CCCCOCCCCCCBr 34a_100011215345_100011216152 [0,0,0,0,0,0|3,0,1]=4 299 B14R0.394 CC(C)CCCCOCCCCCCBr 7a_100011215345_100011216152 [0,0,0,0,0,0|3,0,1]=4 300 B14R0.394 CC(C)CCCOCCCCCCCBr 34a_100000760002_100011214892 [0,0,0,0,0,0|3,0,1]=4 301 B14R0.394 CC(C)CCCOCCCCCCCBr 7a_100000760002_100011214892 [0,0,0,0,0,0|3,0,1]=4 302 B14R0.394 CC(C)CCOCCCCCCCCBr 34a_100009813846_100000210312 [0,0,0,0,0,0|3,0,1]=4 303 B14R0.394 CC(C)CCOCCCCCCCCBr 7a_100009813846_100000210626 [0,0,0,0,0,0|3,0,1]=4 304 B14R0.394 CC(C)COCCCCCCCCCBr 34a_100009813782_100000210624 [0,0,0,0,0,0|3,0,1]=4 305 B14R0.394 CC(C)COCCCCCCCCCBr 7a_100009813782_100000210760 [0,0,0,0,0,0|3,0,1]=4 306 B14R0.394 CC(C)OCCCCCCCCCCBr 34a_100009813290_100000210206 [0,0,0,0,0,0|3,0,1]=4 307 B14R0.394 CC(C)OCCCCCCCCCCBr 7a_100009813290_100000210206 [0,0,0,0,0,0|3,0,1]=4 308 B14R0.394 CC(O)CCCNCCCCCCCO 2230a_100011996573_200000718107 [0,0,0,0,0,0|3,0,1]=4 309 B14R0.394 CC(O)CCCNCCCCCCCO 34a_100011996573_200000718107 [0,0,0,0,0,0|3,0,1]=4 310 B14R0.394 CC(O)CCCOCCCCCCCBr 34a_100000760002_200000718107 [0,0,0,0,0,0|2,0,1]=3 311 B14R0.394 CC(O)CCCOCCCCCCCBr 7a_100000760002_200000718107 [0,0,0,0,0,0|2,0,1]=3 312 B14R0.394 CC(O)CCCOCCCCCCCN 34a_100011996573_200000718107 [0,0,0,0,0,0|3,0,1]=4 313 B14R0.394 CC(O)CCCSCCCCCCCO 62a_100000760002_200000718107 [0,0,0,0,0,0|3,0,1]=4 314 B14R0.394 CC(O)CCCSCCCCCCCO 62a_200000718107_100000760002 [0,0,0,0,0,0|3,0,1]=4 315 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_102515433106_100012276601 [0,0,0,0,0,0|3,0,1]=4 316 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_200000755665_100000033203 [0,0,0,0,0,0|3,0,1]=4 317 B14R0.394 CC(O)CCNCCCCCCCCO 34a_102515433106_100012276601 [0,0,0,0,0,0|3,0,1]=4 318 B14R0.394 CC(O)CCOCCCCCCCCBr 34a_100009813846_100012276601 [0,0,0,0,0,0|2,0,1]=3 319 B14R0.394 CC(O)CCOCCCCCCCCBr 7a_100009813846_100012276601 [0,0,0,0,0,0|2,0,1]=3 320 B14R0.394 CC(O)CCOCCCCCCCCCl 34a_100000033203_100012276601 [0,0,0,0,0,0|2,1,1]=4 321 B14R0.394 CC(O)CCOCCCCCCCCCl 7a_100000033203_100012276601 [0,0,0,0,0,0|2,1,1]=4 322 B14R0.394 CC(O)CCOCCCCCCCCN 34a_102515433106_100012276601 [0,0,0,0,0,0|3,0,1]=4 323 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100000033203_100012276601 [0,0,0,0,0,0|3,0,1]=4 324 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100012276601_100000033203 [0,0,0,0,0,0|3,0,1]=4 325 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000078944_100011218427 [0,0,0,0,0,0|3,0,1]=4 326 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000210904_100009813782 [0,0,0,0,0,0|3,0,1]=4 327 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000078944_100011218427 [0,0,0,0,0,0|3,0,1]=4 328 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000210904_100009813782 [0,0,0,0,0,0|3,0,1]=4 329 B14R0.394 CC(O)COCCCCCCCCCBr 34a_100009813782_100011218427 [0,0,0,0,0,0|2,0,1]=3 330 B14R0.394 CC(O)COCCCCCCCCCBr 7a_100009813782_100011218427 [0,0,0,0,0,0|2,0,1]=3 331 B14R0.394 CC(O)COCCCCCCCCCCl 34a_100009868337_100011218427 [0,0,0,0,0,0|2,1,1]=4 332 B14R0.394 CC(O)COCCCCCCCCCCl 7a_100009868337_100011218427 [0,0,0,0,0,0|2,1,1]=4 333 B14R0.394 CC(O)COCCCCCCCCCN 34a_100000078944_100011218427 [0,0,0,0,0,0|3,0,1]=4 334 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100009813782_100011218427 [0,0,0,0,0,0|3,0,1]=4 335 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100011218427_100009813782 [0,0,0,0,0,0|3,0,1]=4 336 B14R0.394 CCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000036426 [0,0,0,0,0,0|2,0,2]=4 337 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [0,0,0,0,0,0|2,0,2]=4 338 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [0,0,0,0,0,0|2,0,0]=2 339 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [0,0,0,0,0,0|2,0,0]=2 340 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [0,0,0,0,0,0|2,0,0]=2 341 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100000227908_200000210301 [0,0,0,0,0,0|4,0,0]=4 342 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100102631434_100011215052 [0,0,0,0,0,0|4,0,0]=4 343 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100000227908_200000210301 [0,0,0,0,0,0|4,0,0]=4 344 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100102631434_100000759014 [0,0,0,0,0,0|4,0,0]=4 345 B14R0.394 CCCCCCCCCCCCN(C)C 270004a_100102631434_100011218549 [0,0,0,0,0,0|4,0,0]=4 346 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 2230a_100000227908_200025704644 [0,0,0,0,0,0|4,0,0]=4 347 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 269982a_100000227908_200025704644 [0,0,0,0,0,0|4,0,0]=4 348 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [0,0,0,0,0,0|3,0,0]=3 349 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [0,0,0,0,0,0|3,0,0]=3 350 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [0,0,0,0,0,0|3,0,0]=3 351 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [0,0,0,0,0,0|3,0,0]=3 352 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [0,0,0,0,0,0|3,0,0]=3 353 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [0,0,0,0,0,0|3,0,0]=3 354 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [0,0,0,0,0,0|3,0,0]=3 355 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,0,0,0,0,0|2,0,0]=2 356 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [0,0,0,0,0,0|2,0,1]=3 357 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [0,0,0,0,0,0|3,0,1]=4 358 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [0,0,0,0,0,0|3,0,1]=4 359 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [0,0,0,0,0,0|3,0,1]=4 360 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [0,0,0,0,0,0|3,0,1]=4 361 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [0,0,0,0,0,0|3,0,1]=4 362 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [0,0,0,0,0,0|3,0,1]=4 363 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [0,0,0,0,0,0|3,0,1]=4 364 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [0,0,0,0,0,0|3,0,0]=3 365 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [0,0,0,0,0,0|3,0,0]=3 366 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [0,0,0,0,0,0|3,0,0]=3 367 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [0,0,0,0,0,0|2,0,1]=3 368 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [0,0,0,0,0,0|3,0,1]=4 369 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [0,0,0,0,0,0|3,0,1]=4 370 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [0,0,0,0,0,0|3,0,1]=4 371 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [0,0,0,0,0,0|3,0,1]=4 372 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [0,0,0,0,0,0|3,0,1]=4 373 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [0,0,0,0,0,0|3,0,0]=3 374 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [0,0,0,0,0,0|2,0,1]=3 375 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [0,0,0,0,0,0|3,0,1]=4 376 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [0,0,0,0,0,0|3,0,1]=4 377 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [0,0,0,0,0,0|3,0,0]=3 378 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [0,0,0,0,0,0|3,0,0]=3 379 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [0,0,0,0,0,0|3,0,1]=4 380 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [0,0,0,0,0,0|3,0,1]=4 381 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [0,0,0,0,0,0|3,0,1]=4 382 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [0,0,0,0,0,0|4,0,0]=4 383 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,0,0,0,0,0|3,0,0]=3 384 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [0,0,0,0,0,0|3,0,0]=3 385 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [0,0,0,0,0,0|3,0,0]=3 386 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [0,0,0,0,0,0|3,0,0]=3 387 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [0,0,0,0,0,0|3,0,0]=3 388 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [0,0,0,0,0,0|3,0,0]=3 389 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [0,0,0,0,0,0|3,0,0]=3 390 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [0,0,0,0,0,0|3,0,0]=3 391 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [0,0,0,0,0,0|3,0,1]=4 392 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [0,0,0,0,0,0|3,0,1]=4 393 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [0,0,0,0,0,0|4,0,0]=4 394 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [0,0,0,0,0,0|3,0,0]=3 395 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [0,0,0,0,0,0|3,0,0]=3 396 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [0,0,0,0,0,0|3,0,1]=4 397 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [0,0,0,0,0,0|4,0,0]=4 398 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [0,0,0,0,0,0|3,0,0]=3 399 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [0,0,0,0,0,0|3,0,0]=3 400 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [0,0,0,0,0,0|3,0,0]=3 401 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [0,0,0,0,0,0|3,0,1]=4 402 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [0,0,0,0,0,0|3,0,1]=4 403 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [0,0,0,0,0,0|4,0,0]=4 404 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [0,0,0,0,0,0|4,0,0]=4 405 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [0,0,0,0,0,0|4,0,0]=4 406 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [0,0,0,0,0,0|4,0,0]=4 407 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [0,0,0,0,0,0|4,0,0]=4 408 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [0,0,0,0,0,0|4,0,0]=4 409 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [0,0,0,0,0,0|4,0,0]=4 410 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [0,0,0,0,0,0|3,0,0]=3 411 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [0,0,0,0,0,0|3,0,0]=3 412 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [0,0,0,0,0,0|3,0,0]=3 413 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [0,0,0,0,0,0|3,0,0]=3 414 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [0,0,0,0,0,0|3,0,0]=3 415 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [0,0,0,0,0,0|3,0,0]=3 416 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [0,0,0,0,0,0|3,0,1]=4 417 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [0,0,0,0,0,0|3,0,1]=4 418 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [0,0,0,0,0,0|3,0,1]=4 419 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [0,0,0,0,0,0|4,0,0]=4 420 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [0,0,0,0,0,0|4,0,0]=4 421 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [0,0,0,0,0,0|4,0,0]=4 422 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [0,0,0,0,0,0|4,0,0]=4 423 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [0,0,0,0,0,0|4,0,0]=4 424 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [0,0,0,0,0,0|4,0,0]=4 425 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [0,0,0,0,0,0|4,0,0]=4 426 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [0,0,0,0,0,0|4,0,0]=4 427 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [0,0,0,0,0,0|4,0,0]=4 428 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [0,0,0,0,0,0|3,0,0]=3 429 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [0,0,0,0,0,0|3,0,0]=3 430 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [0,0,0,0,0,0|3,0,0]=3 431 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [0,0,0,0,0,0|3,0,0]=3 432 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [0,0,0,0,0,0|3,0,1]=4 433 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [0,0,0,0,0,0|3,0,1]=4 434 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [0,0,0,0,0,0|4,0,0]=4 435 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [0,0,0,0,0,0|4,0,0]=4 436 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [0,0,0,0,0,0|4,0,0]=4 437 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [0,0,0,0,0,0|4,0,0]=4 438 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [0,0,0,0,0,0|4,0,0]=4 439 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [0,0,0,0,0,0|4,0,0]=4 440 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [0,0,0,0,0,0|4,0,0]=4 441 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [0,0,0,0,0,0|4,0,0]=4 442 B14R0.394 CCCCCCCNCCCCB(O)O 2230a_100000229938_200009817182 [0,0,0,0,0,0|3,0,1]=4 443 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [0,0,0,0,0,0|3,0,0]=3 444 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [0,0,0,0,0,0|4,0,0]=4 445 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [0,0,0,0,0,0|4,0,0]=4 446 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [0,0,0,0,0,0|4,0,0]=4 447 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,0,0,0,0,0|3,0,0]=3 448 B14R0.394 CCCCCCCOCCCCB(O)O 34a_100000210272_200009817182 [0,0,0,0,0,0|3,0,1]=4 449 B14R0.394 CCCCCCCOCCCCB(O)O 7a_100000210272_200009817182 [0,0,0,0,0,0|3,0,1]=4 450 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [0,0,0,0,0,0|3,0,0]=3 451 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [0,0,0,0,0,0|3,0,0]=3 452 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [0,0,0,0,0,0|3,0,0]=3 453 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [0,0,0,0,0,0|3,0,0]=3 454 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [0,0,0,0,0,0|3,0,1]=4 455 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [0,0,0,0,0,0|3,0,1]=4 456 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [0,0,0,0,0,0|4,0,0]=4 457 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [0,0,0,0,0,0|4,0,0]=4 458 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [0,0,0,0,0,0|4,0,0]=4 459 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [0,0,0,0,0,0|4,0,0]=4 460 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [0,0,0,0,0,0|4,0,0]=4 461 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [0,0,0,0,0,0|4,0,0]=4 462 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [0,0,0,0,0,0|4,0,0]=4 463 B14R0.394 CCCCCCCSCCCCB(O)O 62a_100000210614_200009817182 [0,0,0,0,0,0|3,0,1]=4 464 B14R0.394 CCCCCCCSCCCCB(O)O 62a_200009817182_100000210316 [0,0,0,0,0,0|3,0,1]=4 465 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [0,0,0,0,0,0|3,0,0]=3 466 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [0,0,0,0,0,0|3,0,0]=3 467 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [0,0,0,0,0,0|4,0,0]=4 468 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [0,0,0,0,0,0|4,0,0]=4 469 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [0,0,0,0,0,0|4,0,0]=4 470 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [0,0,0,0,0,0|4,0,0]=4 471 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [0,0,0,0,0,0|4,0,0]=4 472 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [0,0,0,0,0,0|4,0,0]=4 473 B14R0.394 CCCCCCNCCCCCB(O)O 2230a_100000210581_200009817188 [0,0,0,0,0,0|3,0,1]=4 474 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [0,0,0,0,0,0|3,0,0]=3 475 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [0,0,0,0,0,0|4,0,0]=4 476 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [0,0,0,0,0,0|4,0,0]=4 477 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [0,0,0,0,0,0|4,0,0]=4 478 B14R0.394 CCCCCCOCCCCCB(O)O 34a_100000210259_200009817188 [0,0,0,0,0,0|3,0,1]=4 479 B14R0.394 CCCCCCOCCCCCB(O)O 7a_100000210259_200009817188 [0,0,0,0,0,0|3,0,1]=4 480 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [0,0,0,0,0,0|3,0,0]=3 481 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [0,0,0,0,0,0|3,0,0]=3 482 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [0,0,0,0,0,0|3,0,0]=3 483 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [0,0,0,0,0,0|3,0,0]=3 484 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [0,0,0,0,0,0|2,0,1]=3 485 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [0,0,0,0,0,0|4,0,0]=4 486 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [0,0,0,0,0,0|4,0,0]=4 487 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [0,0,0,0,0,0|4,0,0]=4 488 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [0,0,0,0,0,0|4,0,0]=4 489 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [0,0,0,0,0,0|4,0,0]=4 490 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [0,0,0,0,0,0|4,0,0]=4 491 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [0,0,0,0,0,0|4,0,0]=4 492 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [0,0,0,0,0,0|4,0,0]=4 493 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [0,0,0,0,0,0|4,0,0]=4 494 B14R0.394 CCCCCCSCCCCCB(O)O 62a_100000210314_200009817188 [0,0,0,0,0,0|3,0,1]=4 495 B14R0.394 CCCCCCSCCCCCB(O)O 62a_200009817188_100000210757 [0,0,0,0,0,0|3,0,1]=4 496 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [0,0,0,0,0,0|3,0,0]=3 497 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [0,0,0,0,0,0|3,0,0]=3 498 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [0,0,0,0,0,0|4,0,0]=4 499 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [0,0,0,0,0,0|4,0,0]=4 500 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [0,0,0,0,0,0|4,0,0]=4 501 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [0,0,0,0,0,0|4,0,0]=4 502 B14R0.394 CCCCCNCCCCCCB(O)O 2230a_100000209983_100009817187 [0,0,0,0,0,0|3,0,1]=4 503 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [0,0,0,0,0,0|4,0,0]=4 504 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [0,0,0,0,0,0|4,0,0]=4 505 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [0,0,0,0,0,0|4,0,0]=4 506 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [0,0,0,0,0,0|4,0,0]=4 507 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [0,0,0,0,0,0|4,0,0]=4 508 B14R0.394 CCCCCOCCCCCCB(O)O 34a_100000210253_100009817187 [0,0,0,0,0,0|3,0,1]=4 509 B14R0.394 CCCCCOCCCCCCB(O)O 7a_100000210253_100009817187 [0,0,0,0,0,0|3,0,1]=4 510 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [0,0,0,0,0,0|4,0,0]=4 511 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [0,0,0,0,0,0|4,0,0]=4 512 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [0,0,0,0,0,0|4,0,0]=4 513 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [0,0,0,0,0,0|4,0,0]=4 514 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [0,0,0,0,0,0|4,0,0]=4 515 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [0,0,0,0,0,0|4,0,0]=4 516 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100000210326_100009817187 [0,0,0,0,0,0|3,0,1]=4 517 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100009817187_100000210326 [0,0,0,0,0,0|3,0,1]=4 518 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [0,0,0,0,0,0|4,0,0]=4 519 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [0,0,0,0,0,0|4,0,0]=4 520 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [0,0,0,0,0,0|4,0,0]=4 521 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [0,0,0,0,0,0|4,0,0]=4 522 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [0,0,0,0,0,0|4,0,0]=4 523 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [0,0,0,0,0,0|4,0,0]=4 524 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [0,0,0,0,0,0|4,0,0]=4 525 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [0,0,0,0,0,0|4,0,0]=4 526 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [0,0,0,0,0,0|4,0,0]=4 527 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [0,0,0,0,0,0|4,0,0]=4 528 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [0,0,0,0,0,0|4,0,0]=4 529 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [0,0,0,0,0,0|4,0,0]=4 530 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [0,0,0,0,0,0|4,0,0]=4 531 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [0,0,0,0,0,0|4,0,0]=4 532 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [0,0,0,0,0,0|4,0,0]=4 533 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [0,0,0,0,0,0|4,0,0]=4 534 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [0,0,0,0,0,0|4,0,0]=4 535 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [0,0,0,0,0,0|4,0,0]=4 536 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [0,0,0,0,0,0|4,0,0]=4 537 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [0,0,0,0,0,0|4,0,0]=4 538 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [0,0,0,0,0,0|4,0,0]=4 539 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [0,0,0,0,0,0|4,0,0]=4 540 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [0,0,0,0,0,0|4,0,0]=4 541 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [0,0,0,0,0,0|4,0,0]=4 542 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [0,0,0,0,0,0|4,0,0]=4 543 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [0,0,0,0,0,0|4,0,0]=4 544 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [0,0,0,0,0,0|4,0,0]=4 545 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [0,0,0,0,0,0|4,0,0]=4 546 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [0,0,0,0,0,0|4,0,0]=4 547 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [0,0,0,0,0,0|4,0,0]=4 548 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [0,0,0,0,0,0|4,0,0]=4 549 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [0,0,0,0,0,0|4,0,0]=4 550 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [0,0,0,0,0,0|4,0,0]=4 551 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [0,0,0,0,0,0|4,0,0]=4 552 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [0,0,0,0,0,0|4,0,0]=4 553 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [0,0,0,0,0,0|3,0,1]=4 554 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [0,0,0,0,0,0|4,0,0]=4 555 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [0,0,0,0,0,0|4,0,0]=4 556 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [0,0,0,0,0,0|4,0,0]=4 557 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [0,0,0,0,0,0|4,0,0]=4 558 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [0,0,0,0,0,0|4,0,0]=4 559 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [0,0,0,0,0,0|4,0,0]=4 560 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [0,0,0,0,0,0|4,0,0]=4 561 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [0,0,0,0,0,0|4,0,0]=4 562 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [0,0,0,0,0,0|4,0,0]=4 563 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [0,0,0,0,0,0|4,0,0]=4 564 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [0,0,0,0,0,0|4,0,0]=4 565 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [0,0,0,0,0,0|3,0,1]=4 566 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [0,0,0,0,0,0|4,0,0]=4 567 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [0,0,0,0,0,0|4,0,0]=4 568 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [0,0,0,0,0,0|4,0,0]=4 569 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [0,0,0,0,0,0|4,0,0]=4 570 B14R0.394 CN(C)CCCCCCCCCCCO 2230a_100102631434_100009812471 [0,0,0,0,0,0|4,0,0]=4 571 B14R0.394 CN(C)CCCCCCCCCCCO 269982a_100102631434_100009812471 [0,0,0,0,0,0|4,0,0]=4 572 B14R0.394 CN(C)CCCOCCCCCCCBr 7a_100000760002_100000757444 [0,0,0,0,0,0|4,0,0]=4 573 B14R0.394 CN(C)CCOCCCCCCCCBr 7a_100009813846_100000755713 [0,0,0,0,0,0|4,0,0]=4 574 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [0,0,0,0,0,0|3,0,0]=3 575 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [0,0,0,0,0,0|3,0,0]=3 576 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [0,0,0,0,0,0|3,0,0]=3 577 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [0,0,0,0,0,0|4,0,0]=4 578 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [0,0,0,0,0,0|3,0,0]=3 579 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [0,0,0,0,0,0|4,0,0]=4 580 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [0,0,0,0,0,0|4,0,0]=4 581 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [0,0,0,0,0,0|4,0,0]=4 582 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [0,0,0,0,0,0|4,0,0]=4 583 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [0,0,0,0,0,0|4,0,0]=4 584 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [0,0,0,0,0,0|4,0,0]=4 585 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [0,0,0,0,0,0|4,0,0]=4 586 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [0,0,0,0,0,0|4,0,0]=4 587 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [0,0,0,0,0,0|4,0,0]=4 588 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [0,0,0,0,0,0|4,0,0]=4 589 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [0,0,0,0,0,0|4,0,0]=4 590 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [0,0,0,0,0,0|4,0,0]=4 591 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [0,0,0,0,0,0|4,0,0]=4 592 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [0,0,0,0,0,0|4,0,0]=4 593 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [0,0,0,0,0,0|4,0,0]=4 594 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [0,0,0,0,0,0|3,0,1]=4 595 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [0,0,0,0,0,0|4,0,0]=4 596 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [0,0,0,0,0,0|4,0,0]=4 597 B14R0.394 CS(=O)CCCNCCCCCCCO 2230a_200000753449_100000760002 [0,0,0,0,0,0|4,0,0]=4 598 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [0,0,0,0,0,0|3,0,0]=3 599 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [0,0,0,0,0,0|3,0,0]=3 600 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [0,0,0,0,0,0|4,0,0]=4 601 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [0,0,0,0,0,0|4,0,0]=4 602 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 2230a_100000078944_100009817552 [0,0,0,0,0,0|3,0,1]=4 603 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 34a_100000078944_100009817552 [0,0,0,0,0,0|3,0,1]=4 604 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 34a_100009813782_100009817552 [0,0,0,0,0,0|2,0,1]=3 605 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 7a_100009813782_100009817552 [0,0,0,0,0,0|2,0,1]=3 606 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 34a_100009868337_100009817552 [0,0,0,0,0,0|2,1,1]=4 607 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 7a_100009868337_100009817552 [0,0,0,0,0,0|2,1,1]=4 608 B14R0.394 C[C@@H](O)COCCCCCCCCCN 34a_100000078944_100009817552 [0,0,0,0,0,0|3,0,1]=4 609 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009813782_100009817552 [0,0,0,0,0,0|3,0,1]=4 610 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009817552_100009813782 [0,0,0,0,0,0|3,0,1]=4 611 B14R0.394 FC(=CCCOCCCCCCCBr)F 34a_100000760002_200009816681 [0,0,0,0,0,0|3,0,1]=4 612 B14R0.394 FC(=CCCOCCCCCCCBr)F 7a_100000760002_200009816681 [0,0,0,0,0,0|3,0,1]=4 613 B14R0.394 FC(F)COCCCCCCCCCBr 34a_100009813782_100011934356 [0,0,0,0,0,0|3,0,1]=4 614 B14R0.394 FC(F)COCCCCCCCCCBr 7a_100009813782_100011934356 [0,0,0,0,0,0|3,0,1]=4 615 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100009813337_100102525003 [0,0,0,0,0,0|3,0,1]=4 616 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100102525003_100009813337 [0,0,0,0,0,0|3,0,1]=4 617 B14R0.394 N#CCCCCCNCCOCC(=O)O 269956a_100000700818_100009813376 [0,0,0,0,0,0|3,0,1]=4 618 B14R0.394 N#CCCCCCOCCCCC(=O)N 7a_100012022536_100009813376 [0,0,0,0,0,0|3,0,1]=4 619 B14R0.394 N#CCCCCOCCCCCC(=O)N 7a_100000123541_100000211819 [0,0,0,0,0,0|3,0,1]=4 620 B14R0.394 N#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000211819 [0,0,0,0,0,0|2,0,2]=4 621 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100009817443_100000211819 [0,0,0,0,0,0|3,0,1]=4 622 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100011219923_100009817443 [0,0,0,0,0,0|3,0,1]=4 623 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [0,0,0,0,0,0|3,0,0]=3 624 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [0,0,0,0,0,0|3,0,0]=3 625 B14R0.394 NC(=O)CCCCCNCCOCCO 2230a_100000211614_100009817443 [0,0,0,0,0,0|4,0,0]=4 626 B14R0.394 NC(=O)CCCCCNCCOCCO 34a_100000211614_100009817443 [0,0,0,0,0,0|4,0,0]=4 627 B14R0.394 NC(=O)CCCCCNCCSCCO 2230a_100011219999_100009817443 [0,0,0,0,0,0|4,0,0]=4 628 B14R0.394 NC(=O)CCCCCOCCCCC=O 7a_100000123541_100000139335 [0,0,0,0,0,0|3,0,1]=4 629 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [0,0,0,0,0,0|2,0,0]=2 630 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [0,0,0,0,0,0|2,0,0]=2 631 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [0,0,0,0,0,0|2,1,0]=3 632 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [0,0,0,0,0,0|2,1,0]=3 633 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [0,0,0,0,0,0|2,1,0]=3 634 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [0,0,0,0,0,0|2,1,0]=3 635 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [0,0,0,0,0,0|2,1,0]=3 636 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [0,0,0,0,0,0|2,1,0]=3 637 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [0,0,0,0,0,0|3,0,0]=3 638 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [0,0,0,0,0,0|3,0,0]=3 639 B14R0.394 NC(=O)CCCCCOCCOCCBr 34a_100000692535_100009817443 [0,0,0,0,0,0|3,0,0]=3 640 B14R0.394 NC(=O)CCCCCOCCOCCBr 7a_100000692535_100009817443 [0,0,0,0,0,0|3,0,0]=3 641 B14R0.394 NC(=O)CCCCCOCCOCCCl 34a_100011215305_100009817443 [0,0,0,0,0,0|3,1,0]=4 642 B14R0.394 NC(=O)CCCCCOCCOCCCl 7a_100011215305_100009817443 [0,0,0,0,0,0|3,1,0]=4 643 B14R0.394 NC(=O)CCCCCOCCOCCF 34a_200015357709_100009817443 [0,0,0,0,0,0|3,1,0]=4 644 B14R0.394 NC(=O)CCCCCOCCOCCF 7a_200015357709_100009817443 [0,0,0,0,0,0|3,1,0]=4 645 B14R0.394 NC(=O)CCCCCOCCOCCI 34a_100012149058_100009817443 [0,0,0,0,0,0|3,1,0]=4 646 B14R0.394 NC(=O)CCCCCOCCOCCI 7a_100012149058_100009817443 [0,0,0,0,0,0|3,1,0]=4 647 B14R0.394 NC(=O)CCCCCOCCOCCO 34a_100000123541_100000692535 [0,0,0,0,0,0|4,0,0]=4 648 B14R0.394 NC(=O)CCCCCOCCOCCO 7a_100000123541_100011215305 [0,0,0,0,0,0|4,0,0]=4 649 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100000139335_100009817443 [0,0,0,0,0,0|3,0,1]=4 650 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100009817443_100000139335 [0,0,0,0,0,0|3,0,1]=4 651 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [0,0,0,0,0,0|2,1,0]=3 652 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [0,0,0,0,0,0|2,1,0]=3 653 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [0,0,0,0,0,0|3,0,0]=3 654 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [0,0,0,0,0,0|3,0,0]=3 655 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100009817443_100011215305 [0,0,0,0,0,0|4,0,0]=4 656 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100011215305_100009817443 [0,0,0,0,0,0|4,0,0]=4 657 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [0,0,0,0,0,0|2,1,0]=3 658 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [0,0,0,0,0,0|3,0,0]=3 659 B14R0.394 NC(=O)CCCCOCCCCCC=O 7a_100012022536_100000139337 [0,0,0,0,0,0|3,0,1]=4 660 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [0,0,0,0,0,0|2,1,0]=3 661 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [0,0,0,0,0,0|2,1,0]=3 662 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [0,0,0,0,0,0|3,0,0]=3 663 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [0,0,0,0,0,0|3,0,0]=3 664 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [0,0,0,0,0,0|3,0,0]=3 665 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [0,0,0,0,0,0|3,0,0]=3 666 B14R0.394 NC(=O)CCCNCCCOCCCO 34a_100011310245_100102525003 [0,0,0,0,0,0|4,0,0]=4 667 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [0,0,0,0,0,0|2,0,0]=2 668 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [0,0,0,0,0,0|2,0,0]=2 669 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [0,0,0,0,0,0|3,0,0]=3 670 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [0,0,0,0,0,0|3,0,0]=3 671 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [0,0,0,0,0,0|3,0,0]=3 672 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [0,0,0,0,0,0|3,0,0]=3 673 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [0,0,0,0,0,0|2,0,0]=2 674 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [0,0,0,0,0,0|2,0,0]=2 675 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [0,0,0,0,0,0|2,1,0]=3 676 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [0,0,0,0,0,0|2,1,0]=3 677 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [0,0,0,0,0,0|3,0,0]=3 678 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [0,0,0,0,0,0|3,0,0]=3 679 B14R0.394 NC(=O)CCOCCOCCOCCBr 34a_100010132937_100000731001 [0,0,0,0,0,0|4,0,0]=4 680 B14R0.394 NC(=O)CCOCCOCCOCCBr 7a_100010132937_100000744528 [0,0,0,0,0,0|4,0,0]=4 681 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [0,0,0,0,0,0|3,0,0]=3 682 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [0,0,0,0,0,0|3,0,0]=3 683 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [0,0,0,0,0,0|3,0,0]=3 684 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [0,0,0,0,0,0|3,0,0]=3 685 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [0,0,0,0,0,0|3,0,0]=3 686 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [0,0,0,0,0,0|2,0,0]=2 687 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [0,0,0,0,0,0|2,0,0]=2 688 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [0,0,0,0,0,0|2,1,0]=3 689 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [0,0,0,0,0,0|2,1,0]=3 690 B14R0.394 NC(=O)COCCNCCCCCCO 2230a_100000686447_100000076697 [0,0,0,0,0,0|4,0,0]=4 691 B14R0.394 NC(=O)COCCNCCCCCCO 34a_100000686447_100000076697 [0,0,0,0,0,0|4,0,0]=4 692 B14R0.394 NC(=O)COCCOCCCCCCBr 34a_100011215345_100000076697 [0,0,0,0,0,0|3,0,0]=3 693 B14R0.394 NC(=O)COCCOCCCCCCBr 7a_100011215345_100000076697 [0,0,0,0,0,0|3,0,0]=3 694 B14R0.394 NC(=O)COCCOCCCCCCCl 34a_100000766143_100000076697 [0,0,0,0,0,0|3,1,0]=4 695 B14R0.394 NC(=O)COCCOCCCCCCCl 7a_100000766143_100000076697 [0,0,0,0,0,0|3,1,0]=4 696 B14R0.394 NC(=O)COCCOCCCCCCF 34a_100000732779_100000076697 [0,0,0,0,0,0|3,1,0]=4 697 B14R0.394 NC(=O)COCCOCCCCCCF 7a_100000732779_100000076697 [0,0,0,0,0,0|3,1,0]=4 698 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100000076697_100015922095 [0,0,0,0,0,0|3,1,0]=4 699 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100015922095_100000076697 [0,0,0,0,0,0|3,1,0]=4 700 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000076697_100000766143 [0,0,0,0,0,0|4,0,0]=4 701 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000766143_100000076697 [0,0,0,0,0,0|4,0,0]=4 702 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [0,0,0,0,0,0|3,0,0]=3 703 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [0,0,0,0,0,0|3,0,0]=3 704 B14R0.394 NC(=O)NCCNCCCCCCCO 2230a_100011996573_200000034859 [0,0,0,0,0,0|4,0,0]=4 705 B14R0.394 NC(=O)NCCNCCCCCCCO 34a_100020590234_100000760002 [0,0,0,0,0,0|4,0,0]=4 706 B14R0.394 NC(=O)NCCOCCCCCCCBr 7a_100000760002_200000034859 [0,0,0,0,0,0|3,0,0]=3 707 B14R0.394 NC(=O)NCCOCCCCCCCO 34a_100000181757_100000760002 [0,0,0,0,0,0|4,0,0]=4 708 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_100000760002_200000034859 [0,0,0,0,0,0|4,0,0]=4 709 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_200000034859_100000760002 [0,0,0,0,0,0|4,0,0]=4 710 B14R0.394 NC(=O)OCCNCCCCCCCO 34a_100011996573_200011214921 [0,0,0,0,0,0|4,0,0]=4 711 B14R0.394 NC(=O)OCCOCCCCCCCBr 34a_100000760002_200011214921 [0,0,0,0,0,0|3,0,0]=3 712 B14R0.394 NC(=O)OCCOCCCCCCCBr 7a_100000760002_200011214921 [0,0,0,0,0,0|3,0,0]=3 713 B14R0.394 NC(=O)OCCOCCCCCCCO 7a_100000766696_100000760002 [0,0,0,0,0,0|4,0,0]=4 714 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_100000760002_200011214921 [0,0,0,0,0,0|4,0,0]=4 715 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_200011214921_100000760002 [0,0,0,0,0,0|4,0,0]=4 716 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [0,0,0,0,0,0|3,0,0]=3 717 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [0,0,0,0,0,0|2,0,1]=3 718 B14R0.394 NCCCCCCCCCOC[N+](=O)[O-] 34a_100000078944_100000761209 [0,0,0,0,0,0|3,0,1]=4 719 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [0,0,0,0,0,0|3,0,0]=3 720 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [0,0,0,0,0,0|3,0,0]=3 721 B14R0.394 NCCCCCCCOCCOC(=O)N 34a_100011996573_200011214921 [0,0,0,0,0,0|4,0,0]=4 722 B14R0.394 NCCCCCCOCCCCB(O)O 34a_100000686447_200009817182 [0,0,0,0,0,0|3,0,1]=4 723 B14R0.394 NCCCCCCOCCOCC(=O)N 34a_100000686447_100000076697 [0,0,0,0,0,0|4,0,0]=4 724 B14R0.394 NCCCCCOCCCCCB(O)O 34a_100000762737_200009817188 [0,0,0,0,0,0|3,0,1]=4 725 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [0,0,0,0,0,0|3,0,0]=3 726 B14R0.394 NCCCCOCCCCCCB(O)O 34a_100000750430_100009817187 [0,0,0,0,0,0|3,0,1]=4 727 B14R0.394 NCCCOCCCOCCCC(=O)N 34a_100011310245_100102525003 [0,0,0,0,0,0|4,0,0]=4 728 B14R0.394 NCCNCCCCCOCCC(=O)N 34a_103619048469_100000731001 [0,0,0,0,0,0|4,0,0]=4 729 B14R0.394 NCCOCCOCCCCCC(=O)N 34a_100000211614_100009817443 [0,0,0,0,0,0|4,0,0]=4 730 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,0,0,0,0,0|2,0,0]=2 731 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,0,0,0,0,0|2,1,0]=3 732 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,0,0,0,0,0|3,0,0]=3 733 B14R0.394 O=C(O)COCCOCCNCCCF 269956a_100009854275_100011934791 [0,0,0,0,0,0|3,1,0]=4 734 B14R0.394 O=C(O)COCCOCCNCCCO 269956a_100009854275_100011215043 [0,0,0,0,0,0|4,0,0]=4 735 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,0,0,0,0,0|3,0,0]=3 736 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [0,0,0,0,0,0|1,1,1]=3 737 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [0,0,0,0,0,0|2,0,1]=3 738 B14R0.394 O=C([O-])CCCCCOCCOCCO 7a_100102619762_100011215305 [0,0,0,0,0,0|3,0,1]=4 739 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [0,0,0,0,0,0|2,0,1]=3 740 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [0,0,0,0,0,0|1,0,1]=2 741 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [0,0,0,0,0,0|1,1,1]=3 742 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [0,0,0,0,0,0|2,0,1]=3 743 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [0,0,0,0,0,0|2,0,1]=3 744 B14R0.394 O=CCCCCCNCCOCC(=O)O 269956a_100000700818_100000139337 [0,0,0,0,0,0|3,0,1]=4 745 B14R0.394 O=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139335 [0,0,0,0,0,0|2,0,2]=4 746 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 34a_200015379883_100015922095 [0,0,0,0,0,0|2,1,1]=4 747 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 7a_200015379883_100015922095 [0,0,0,0,0,0|2,1,1]=4 748 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 34a_200015379883_100000766143 [0,0,0,0,0,0|3,0,1]=4 749 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 7a_200015379883_100000766143 [0,0,0,0,0,0|3,0,1]=4 750 B14R0.394 O=[N+]([O-])CCCOCCCCCCCO 34a_200000037920_100000760002 [0,0,0,0,0,0|3,0,1]=4 751 B14R0.394 O=[N+]([O-])CNCCCCCCCCCO 34a_100000078944_100000761209 [0,0,0,0,0,0|3,0,1]=4 752 B14R0.394 O=[N+]([O-])COCCCCCCCCCBr 34a_100009813782_100000761209 [0,0,0,0,0,0|2,0,1]=3 753 B14R0.394 O=[N+]([O-])COCCCCCCCCCCl 34a_100009868337_100000761209 [0,0,0,0,0,0|2,1,1]=4 754 B14R0.394 O=[N+]([O-])CSCCCCCCCCCO 62a_100009813782_100000761209 [0,0,0,0,0,0|3,0,1]=4 755 B14R0.394 O=[N+]([O-])OCCCCOCCCCCBr 34a_100000746331_100015694321 [0,0,0,0,0,0|3,0,1]=4 756 B14R0.394 O=[N+]([O-])OCCCCOCCCCCBr 7a_100000746331_100015694321 [0,0,0,0,0,0|3,0,1]=4 757 B14R0.394 OB(O)CCCCCCOCCCCBr 34a_100011216708_100009817187 [0,0,0,0,0,0|2,0,1]=3 758 B14R0.394 OB(O)CCCCCCOCCCCCl 34a_100000210776_100009817187 [0,0,0,0,0,0|2,1,1]=4 759 B14R0.394 OB(O)CCCCCCOCCCCCl 7a_100000210776_100009817187 [0,0,0,0,0,0|2,1,1]=4 760 B14R0.394 OB(O)CCCCCCOCCCCF 34a_100011995726_100009817187 [0,0,0,0,0,0|2,1,1]=4 761 B14R0.394 OB(O)CCCCCCOCCCCF 7a_100011995726_100009817187 [0,0,0,0,0,0|2,1,1]=4 762 B14R0.394 OB(O)CCCCCCOCCCCI 34a_200012148704_100009817187 [0,0,0,0,0,0|2,1,1]=4 763 B14R0.394 OB(O)CCCCCCSCCCCF 62a_100000729493_100009817187 [0,0,0,0,0,0|2,1,1]=4 764 B14R0.394 OB(O)CCCCCCSCCCCF 62a_100009817187_100000729493 [0,0,0,0,0,0|2,1,1]=4 765 B14R0.394 OB(O)CCCCCOCCCCCBr 34a_100000746331_200009817188 [0,0,0,0,0,0|2,0,1]=3 766 B14R0.394 OB(O)CCCCCOCCCCCBr 7a_100000746331_200009817188 [0,0,0,0,0,0|2,0,1]=3 767 B14R0.394 OB(O)CCCCCOCCCCCCl 34a_100000746330_200009817188 [0,0,0,0,0,0|2,1,1]=4 768 B14R0.394 OB(O)CCCCCOCCCCCCl 7a_100000746330_200009817188 [0,0,0,0,0,0|2,1,1]=4 769 B14R0.394 OB(O)CCCCCOCCCCCI 34a_200012148887_200009817188 [0,0,0,0,0,0|2,1,1]=4 770 B14R0.394 OB(O)CCCCCOCCCCCI 7a_200012148887_200009817188 [0,0,0,0,0,0|2,1,1]=4 771 B14R0.394 OB(O)CCCCCOCCOCCBr 34a_100000692535_200009817188 [0,0,0,0,0,0|3,0,1]=4 772 B14R0.394 OB(O)CCCCCOCCOCCBr 7a_100000692535_200009817188 [0,0,0,0,0,0|3,0,1]=4 773 B14R0.394 OB(O)CCCCCSCCCCCF 62a_100000729378_200009817188 [0,0,0,0,0,0|2,1,1]=4 774 B14R0.394 OB(O)CCCCCSCCCCCF 62a_200009817188_100000729378 [0,0,0,0,0,0|2,1,1]=4 775 B14R0.394 OB(O)CCCCOCCCCCCBr 34a_100011215345_200009817182 [0,0,0,0,0,0|2,0,1]=3 776 B14R0.394 OB(O)CCCCOCCCCCCBr 7a_100011215345_200009817182 [0,0,0,0,0,0|2,0,1]=3 777 B14R0.394 OB(O)CCCCOCCCCCCCl 34a_100000766143_200009817182 [0,0,0,0,0,0|2,1,1]=4 778 B14R0.394 OB(O)CCCCOCCCCCCCl 7a_100000766143_200009817182 [0,0,0,0,0,0|2,1,1]=4 779 B14R0.394 OB(O)CCCCOCCCCCCF 34a_100000732779_200009817182 [0,0,0,0,0,0|2,1,1]=4 780 B14R0.394 OB(O)CCCCOCCCCCCF 7a_100000732779_200009817182 [0,0,0,0,0,0|2,1,1]=4 781 B14R0.394 OB(O)CCCCSCCCCCCF 62a_100015922095_200009817182 [0,0,0,0,0,0|2,1,1]=4 782 B14R0.394 OB(O)CCCCSCCCCCCF 62a_200009817182_100015922095 [0,0,0,0,0,0|2,1,1]=4 783 B14R0.394 OCCCCCCNCCCCB(O)O 2230a_100000686447_200009817182 [0,0,0,0,0,0|3,0,1]=4 784 B14R0.394 OCCCCCCNCCCCB(O)O 34a_100000686447_200009817182 [0,0,0,0,0,0|3,0,1]=4 785 B14R0.394 OCCCCCCSCCCCB(O)O 62a_100000766143_200009817182 [0,0,0,0,0,0|3,0,1]=4 786 B14R0.394 OCCCCCCSCCCCB(O)O 62a_200009817182_100000766143 [0,0,0,0,0,0|3,0,1]=4 787 B14R0.394 OCCCCCNCCCCCB(O)O 2230a_100000762737_200009817188 [0,0,0,0,0,0|3,0,1]=4 788 B14R0.394 OCCCCCNCCCCCB(O)O 34a_100000762737_200009817188 [0,0,0,0,0,0|3,0,1]=4 789 B14R0.394 OCCCCCSCCCCCB(O)O 62a_100000746330_200009817188 [0,0,0,0,0,0|3,0,1]=4 790 B14R0.394 OCCCCCSCCCCCB(O)O 62a_200009817188_100000746330 [0,0,0,0,0,0|3,0,1]=4 791 B14R0.394 OCCCCNCCCCCCB(O)O 2230a_100000750430_100009817187 [0,0,0,0,0,0|3,0,1]=4 792 B14R0.394 OCCCCNCCCCCCB(O)O 34a_100000750430_100009817187 [0,0,0,0,0,0|3,0,1]=4 793 B14R0.394 OCCCCSCCCCCCB(O)O 62a_100000210776_100009817187 [0,0,0,0,0,0|3,0,1]=4 794 B14R0.394 OCCCCSCCCCCCB(O)O 62a_100009817187_100000210776 [0,0,0,0,0,0|3,0,1]=4 795 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [0,0,0,0,0,0|3,0,0]=3 796 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [0,0,0,0,0,0|3,0,0]=3 797 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [1,0,0,0,0,0|1,0,2]=4 798 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [1,0,0,0,0,0|3,0,0]=4 799 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [1,0,0,0,0,0|3,0,0]=4 800 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [1,0,0,0,0,0|3,0,0]=4 801 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [1,0,0,0,0,0|3,0,0]=4 802 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [1,0,0,0,0,0|3,0,0]=4 803 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [1,0,0,0,0,0|3,0,0]=4 804 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [1,0,0,0,0,0|3,0,0]=4 805 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [1,0,0,0,0,0|3,0,0]=4 806 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [1,0,0,0,0,0|3,0,0]=4 807 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [1,0,0,0,0,0|3,0,0]=4 808 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [1,0,0,0,0,0|3,0,0]=4 809 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [1,0,0,0,0,0|3,0,0]=4 810 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [1,0,0,0,0,0|3,0,0]=4 811 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [1,0,0,0,0,0|3,0,0]=4 812 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [1,0,0,0,0,0|3,0,0]=4 813 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [1,0,0,0,0,0|3,0,0]=4 814 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [1,0,0,0,0,0|3,0,0]=4 815 B13R0.54 C=C(F)COCCCCCCCCBr 34a_100009813846_100009893438 [1,0,0,0,0,0|3,0,0]=4 816 B13R0.54 C=C(F)COCCCCCCCCBr 7a_100009813846_100000042424 [1,0,0,0,0,0|3,0,0]=4 817 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [1,0,0,0,0,0|3,0,0]=4 818 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [1,0,0,0,0,0|3,0,0]=4 819 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [1,0,0,0,0,0|3,0,0]=4 820 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [1,0,0,0,0,0|3,0,0]=4 821 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [1,0,0,0,0,0|1,0,2]=4 822 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [1,0,0,0,0,0|1,0,2]=4 823 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [1,0,0,0,0,0|2,0,0]=3 824 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [1,0,0,0,0,0|3,0,0]=4 825 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [1,0,0,0,0,0|2,0,0]=3 826 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [1,0,0,0,0,0|2,0,0]=3 827 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [1,0,0,0,0,0|2,1,0]=4 828 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [1,0,0,0,0,0|2,1,0]=4 829 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [1,0,0,0,0,0|2,1,0]=4 830 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [1,0,0,0,0,0|2,1,0]=4 831 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [1,0,0,0,0,0|3,0,0]=4 832 B13R0.54 CC(=O)CCCCOCCOCCBr 34a_100000692535_100009817362 [1,0,0,0,0,0|3,0,0]=4 833 B13R0.54 CC(=O)CCCCOCCOCCBr 7a_100000692535_100000735457 [1,0,0,0,0,0|3,0,0]=4 834 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [1,0,0,0,0,0|2,1,0]=4 835 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [1,0,0,0,0,0|2,1,0]=4 836 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [1,0,0,0,0,0|3,0,0]=4 837 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [1,0,0,0,0,0|3,0,0]=4 838 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [1,0,0,0,0,0|3,0,0]=4 839 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [1,0,0,0,0,0|2,0,0]=3 840 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [1,0,0,0,0,0|2,0,0]=3 841 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [1,0,0,0,0,0|2,1,0]=4 842 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [1,0,0,0,0,0|2,1,0]=4 843 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [1,0,0,0,0,0|2,1,0]=4 844 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [1,0,0,0,0,0|2,1,0]=4 845 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [1,0,0,0,0,0|2,1,0]=4 846 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [1,0,0,0,0,0|2,1,0]=4 847 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [1,0,0,0,0,0|3,0,0]=4 848 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [1,0,0,0,0,0|3,0,0]=4 849 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [1,0,0,0,0,0|3,0,0]=4 850 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [1,0,0,0,0,0|2,1,0]=4 851 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [1,0,0,0,0,0|2,1,0]=4 852 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [1,0,0,0,0,0|3,0,0]=4 853 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [1,0,0,0,0,0|3,0,0]=4 854 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [1,0,0,0,0,0|2,0,0]=3 855 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [1,0,0,0,0,0|3,0,0]=4 856 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [1,0,0,0,0,0|3,0,0]=4 857 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [1,0,0,0,0,0|3,0,0]=4 858 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [1,0,0,0,0,0|3,0,0]=4 859 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [1,0,0,0,0,0|3,0,0]=4 860 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [1,0,0,0,0,0|3,0,0]=4 861 B13R0.54 CC(=O)NCCOCCCCCCBr 7a_100011215345_100000189650 [1,0,0,0,0,0|3,0,0]=4 862 B13R0.54 CC(=O)OCCCCCOCCCBr 34a_100011217188_100000033007 [1,0,0,0,0,0|3,0,0]=4 863 B13R0.54 CC(=O)OCCCCOCCCCBr 34a_100011216708_100000033659 [1,0,0,0,0,0|3,0,0]=4 864 B13R0.54 CC(=O)OCCCOCCCCCBr 34a_100000746331_100000042594 [1,0,0,0,0,0|3,0,0]=4 865 B13R0.54 CC(=O)OCCCOCCCCCBr 7a_100000746331_100000042594 [1,0,0,0,0,0|3,0,0]=4 866 B13R0.54 CC(=O)OCCOCCCCCCBr 34a_100011215345_100009814007 [1,0,0,0,0,0|3,0,0]=4 867 B13R0.54 CC(=O)OCCOCCCCCCBr 7a_100011215345_100009814007 [1,0,0,0,0,0|3,0,0]=4 868 B13R0.54 CC(=O)OCOCCCCCCCBr 34a_100000760002_100009813279 [1,0,0,0,0,0|3,0,0]=4 869 B13R0.54 CC(=O)SCCCCOCCCCBr 34a_100011216708_200010402107 [1,0,0,0,0,0|3,0,0]=4 870 B13R0.54 CC(=O)SCCCOCCCCCBr 34a_100000746331_100000038929 [1,0,0,0,0,0|3,0,0]=4 871 B13R0.54 CC(=O)SCCCOCCCCCBr 7a_100000746331_100000038929 [1,0,0,0,0,0|3,0,0]=4 872 B13R0.54 CC(O)CCCOCCCCCCBr 34a_100011215345_200000718107 [1,0,0,0,0,0|2,0,1]=4 873 B13R0.54 CC(O)CCCOCCCCCCBr 7a_100011215345_200000718107 [1,0,0,0,0,0|2,0,1]=4 874 B13R0.54 CC(O)CCOCCCCCCCBr 34a_100000760002_100012276601 [1,0,0,0,0,0|2,0,1]=4 875 B13R0.54 CC(O)CCOCCCCCCCBr 7a_100000760002_100012276601 [1,0,0,0,0,0|2,0,1]=4 876 B13R0.54 CC(O)COCCCCCCCCBr 34a_100009813846_100011218427 [1,0,0,0,0,0|2,0,1]=4 877 B13R0.54 CC(O)COCCCCCCCCBr 7a_100009813846_100011218427 [1,0,0,0,0,0|2,0,1]=4 878 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [1,0,0,0,0,0|1,0,2]=4 879 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [1,0,0,0,0,0|1,0,2]=4 880 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [1,0,0,0,0,0|1,0,2]=4 881 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [1,0,0,0,0,0|1,0,0]=2 882 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [1,0,0,0,0,0|1,0,0]=2 883 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [1,0,0,0,0,0|1,0,0]=2 884 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [1,0,0,0,0,0|3,0,0]=4 885 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [1,0,0,0,0,0|3,0,0]=4 886 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [1,0,0,0,0,0|2,0,0]=3 887 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [1,0,0,0,0,0|2,0,0]=3 888 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [1,0,0,0,0,0|2,0,0]=3 889 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [1,0,0,0,0,0|2,0,0]=3 890 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [1,0,0,0,0,0|2,0,0]=3 891 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [1,0,0,0,0,0|2,0,0]=3 892 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [1,0,0,0,0,0|2,0,0]=3 893 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [1,0,0,0,0,0|1,0,0]=2 894 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [1,0,0,0,0,0|1,0,1]=3 895 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [1,0,0,0,0,0|2,0,1]=4 896 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [1,0,0,0,0,0|2,0,1]=4 897 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [1,0,0,0,0,0|2,0,1]=4 898 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [1,0,0,0,0,0|2,0,1]=4 899 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [1,0,0,0,0,0|2,0,1]=4 900 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [1,0,0,0,0,0|2,0,1]=4 901 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [1,0,0,0,0,0|2,0,1]=4 902 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [1,0,0,0,0,0|2,0,0]=3 903 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [1,0,0,0,0,0|2,0,0]=3 904 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [1,0,0,0,0,0|2,0,0]=3 905 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [1,0,0,0,0,0|1,0,1]=3 906 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [1,0,0,0,0,0|2,0,1]=4 907 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [1,0,0,0,0,0|2,0,1]=4 908 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [1,0,0,0,0,0|2,0,1]=4 909 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [1,0,0,0,0,0|2,0,1]=4 910 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [1,0,0,0,0,0|2,0,1]=4 911 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [1,0,0,0,0,0|2,0,0]=3 912 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [1,0,0,0,0,0|1,0,1]=3 913 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [1,0,0,0,0,0|2,0,1]=4 914 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [1,0,0,0,0,0|2,0,1]=4 915 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [1,0,0,0,0,0|2,0,0]=3 916 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [1,0,0,0,0,0|2,0,0]=3 917 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [1,0,0,0,0,0|2,0,1]=4 918 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [1,0,0,0,0,0|2,0,1]=4 919 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [1,0,0,0,0,0|2,0,1]=4 920 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [1,0,0,0,0,0|3,0,0]=4 921 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [1,0,0,0,0,0|2,0,0]=3 922 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [1,0,0,0,0,0|2,0,0]=3 923 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [1,0,0,0,0,0|2,0,0]=3 924 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [1,0,0,0,0,0|2,0,0]=3 925 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [1,0,0,0,0,0|2,0,0]=3 926 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [1,0,0,0,0,0|2,0,0]=3 927 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [1,0,0,0,0,0|2,0,0]=3 928 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [1,0,0,0,0,0|2,0,0]=3 929 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [1,0,0,0,0,0|2,0,1]=4 930 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [1,0,0,0,0,0|2,0,1]=4 931 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [1,0,0,0,0,0|3,0,0]=4 932 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [1,0,0,0,0,0|2,0,0]=3 933 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [1,0,0,0,0,0|2,0,0]=3 934 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [1,0,0,0,0,0|2,0,0]=3 935 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [1,0,0,0,0,0|2,0,0]=3 936 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [1,0,0,0,0,0|2,0,1]=4 937 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [1,0,0,0,0,0|2,0,1]=4 938 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [1,0,0,0,0,0|3,0,0]=4 939 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [1,0,0,0,0,0|3,0,0]=4 940 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [1,0,0,0,0,0|2,0,0]=3 941 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [1,0,0,0,0,0|2,0,1]=4 942 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [1,0,0,0,0,0|3,0,0]=4 943 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [1,0,0,0,0,0|3,0,0]=4 944 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [1,0,0,0,0,0|3,0,0]=4 945 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [1,0,0,0,0,0|3,0,0]=4 946 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [1,0,0,0,0,0|3,0,0]=4 947 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [1,0,0,0,0,0|2,0,0]=3 948 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [1,0,0,0,0,0|2,0,0]=3 949 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [1,0,0,0,0,0|2,0,0]=3 950 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [1,0,0,0,0,0|2,0,0]=3 951 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [1,0,0,0,0,0|2,0,0]=3 952 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [1,0,0,0,0,0|2,0,0]=3 953 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [1,0,0,0,0,0|2,0,1]=4 954 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [1,0,0,0,0,0|2,0,1]=4 955 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [1,0,0,0,0,0|2,0,1]=4 956 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [1,0,0,0,0,0|3,0,0]=4 957 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [1,0,0,0,0,0|3,0,0]=4 958 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [1,0,0,0,0,0|3,0,0]=4 959 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [1,0,0,0,0,0|3,0,0]=4 960 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [1,0,0,0,0,0|3,0,0]=4 961 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [1,0,0,0,0,0|3,0,0]=4 962 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [1,0,0,0,0,0|3,0,0]=4 963 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [1,0,0,0,0,0|3,0,0]=4 964 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [1,0,0,0,0,0|3,0,0]=4 965 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [1,0,0,0,0,0|2,0,0]=3 966 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [1,0,0,0,0,0|2,0,0]=3 967 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [1,0,0,0,0,0|2,0,0]=3 968 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [1,0,0,0,0,0|2,0,0]=3 969 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [1,0,0,0,0,0|2,0,1]=4 970 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [1,0,0,0,0,0|2,0,1]=4 971 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [1,0,0,0,0,0|3,0,0]=4 972 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [1,0,0,0,0,0|3,0,0]=4 973 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [1,0,0,0,0,0|3,0,0]=4 974 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [1,0,0,0,0,0|3,0,0]=4 975 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [1,0,0,0,0,0|3,0,0]=4 976 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [1,0,0,0,0,0|3,0,0]=4 977 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [1,0,0,0,0,0|3,0,0]=4 978 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [1,0,0,0,0,0|3,0,0]=4 979 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [1,0,0,0,0,0|2,0,1]=4 980 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [1,0,0,0,0,0|2,0,0]=3 981 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [1,0,0,0,0,0|3,0,0]=4 982 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [1,0,0,0,0,0|3,0,0]=4 983 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [1,0,0,0,0,0|3,0,0]=4 984 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [1,0,0,0,0,0|2,0,0]=3 985 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [1,0,0,0,0,0|2,0,1]=4 986 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [1,0,0,0,0,0|2,0,1]=4 987 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [1,0,0,0,0,0|2,0,0]=3 988 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [1,0,0,0,0,0|2,0,0]=3 989 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [1,0,0,0,0,0|2,0,0]=3 990 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [1,0,0,0,0,0|2,0,0]=3 991 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [1,0,0,0,0,0|2,0,1]=4 992 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [1,0,0,0,0,0|2,0,1]=4 993 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [1,0,0,0,0,0|3,0,0]=4 994 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [1,0,0,0,0,0|3,0,0]=4 995 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [1,0,0,0,0,0|3,0,0]=4 996 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [1,0,0,0,0,0|3,0,0]=4 997 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [1,0,0,0,0,0|3,0,0]=4 998 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [1,0,0,0,0,0|3,0,0]=4 999 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [1,0,0,0,0,0|3,0,0]=4 1000 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [1,0,0,0,0,0|3,0,0]=4 1001 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [1,0,0,0,0,0|3,0,0]=4 1002 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [1,0,0,0,0,0|2,0,1]=4 1003 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [1,0,0,0,0,0|2,0,1]=4 1004 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [1,0,0,0,0,0|2,0,1]=4 1005 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [1,0,0,0,0,0|2,0,0]=3 1006 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [1,0,0,0,0,0|2,0,0]=3 1007 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [1,0,0,0,0,0|3,0,0]=4 1008 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [1,0,0,0,0,0|3,0,0]=4 1009 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [1,0,0,0,0,0|3,0,0]=4 1010 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [1,0,0,0,0,0|3,0,0]=4 1011 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [1,0,0,0,0,0|3,0,0]=4 1012 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [1,0,0,0,0,0|3,0,0]=4 1013 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [1,0,0,0,0,0|2,0,1]=4 1014 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [1,0,0,0,0,0|2,0,0]=3 1015 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [1,0,0,0,0,0|3,0,0]=4 1016 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [1,0,0,0,0,0|3,0,0]=4 1017 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [1,0,0,0,0,0|3,0,0]=4 1018 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [1,0,0,0,0,0|3,0,0]=4 1019 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [1,0,0,0,0,0|2,0,1]=4 1020 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [1,0,0,0,0,0|2,0,1]=4 1021 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [1,0,0,0,0,0|2,0,0]=3 1022 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [1,0,0,0,0,0|2,0,0]=3 1023 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [1,0,0,0,0,0|2,0,0]=3 1024 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [1,0,0,0,0,0|2,0,0]=3 1025 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [1,0,0,0,0,0|1,0,1]=3 1026 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [1,0,0,0,0,0|3,0,0]=4 1027 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [1,0,0,0,0,0|3,0,0]=4 1028 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [1,0,0,0,0,0|3,0,0]=4 1029 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [1,0,0,0,0,0|3,0,0]=4 1030 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [1,0,0,0,0,0|3,0,0]=4 1031 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [1,0,0,0,0,0|3,0,0]=4 1032 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [1,0,0,0,0,0|3,0,0]=4 1033 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [1,0,0,0,0,0|3,0,0]=4 1034 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [1,0,0,0,0,0|3,0,0]=4 1035 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [1,0,0,0,0,0|2,0,1]=4 1036 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [1,0,0,0,0,0|2,0,1]=4 1037 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [1,0,0,0,0,0|2,0,0]=3 1038 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [1,0,0,0,0,0|2,0,0]=3 1039 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [1,0,0,0,0,0|3,0,0]=4 1040 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [1,0,0,0,0,0|3,0,0]=4 1041 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [1,0,0,0,0,0|3,0,0]=4 1042 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [1,0,0,0,0,0|3,0,0]=4 1043 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [1,0,0,0,0,0|2,0,1]=4 1044 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [1,0,0,0,0,0|2,0,1]=4 1045 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [1,0,0,0,0,0|3,0,0]=4 1046 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [1,0,0,0,0,0|3,0,0]=4 1047 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [1,0,0,0,0,0|3,0,0]=4 1048 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [1,0,0,0,0,0|3,0,0]=4 1049 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [1,0,0,0,0,0|3,0,0]=4 1050 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [1,0,0,0,0,0|2,0,1]=4 1051 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [1,0,0,0,0,0|2,0,1]=4 1052 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [1,0,0,0,0,0|2,0,1]=4 1053 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [1,0,0,0,0,0|3,0,0]=4 1054 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [1,0,0,0,0,0|3,0,0]=4 1055 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [1,0,0,0,0,0|3,0,0]=4 1056 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [1,0,0,0,0,0|3,0,0]=4 1057 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [1,0,0,0,0,0|2,0,1]=4 1058 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [1,0,0,0,0,0|3,0,0]=4 1059 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [1,0,0,0,0,0|3,0,0]=4 1060 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [1,0,0,0,0,0|3,0,0]=4 1061 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [1,0,0,0,0,0|3,0,0]=4 1062 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [1,0,0,0,0,0|3,0,0]=4 1063 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [1,0,0,0,0,0|3,0,0]=4 1064 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [1,0,0,0,0,0|3,0,0]=4 1065 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [1,0,0,0,0,0|3,0,0]=4 1066 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [1,0,0,0,0,0|3,0,0]=4 1067 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [1,0,0,0,0,0|3,0,0]=4 1068 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [1,0,0,0,0,0|3,0,0]=4 1069 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [1,0,0,0,0,0|3,0,0]=4 1070 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [1,0,0,0,0,0|3,0,0]=4 1071 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [1,0,0,0,0,0|3,0,0]=4 1072 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [1,0,0,0,0,0|3,0,0]=4 1073 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [1,0,0,0,0,0|3,0,0]=4 1074 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [1,0,0,0,0,0|3,0,0]=4 1075 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [1,0,0,0,0,0|3,0,0]=4 1076 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [1,0,0,0,0,0|3,0,0]=4 1077 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [1,0,0,0,0,0|3,0,0]=4 1078 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [1,0,0,0,0,0|3,0,0]=4 1079 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [1,0,0,0,0,0|2,0,1]=4 1080 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [1,0,0,0,0,0|2,0,1]=4 1081 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [1,0,0,0,0,0|3,0,0]=4 1082 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [1,0,0,0,0,0|3,0,0]=4 1083 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [1,0,0,0,0,0|3,0,0]=4 1084 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [1,0,0,0,0,0|3,0,0]=4 1085 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [1,0,0,0,0,0|3,0,0]=4 1086 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [1,0,0,0,0,0|3,0,0]=4 1087 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [1,0,0,0,0,0|3,0,0]=4 1088 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [1,0,0,0,0,0|3,0,0]=4 1089 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [1,0,0,0,0,0|3,0,0]=4 1090 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [1,0,0,0,0,0|3,0,0]=4 1091 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [1,0,0,0,0,0|3,0,0]=4 1092 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [1,0,0,0,0,0|3,0,0]=4 1093 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [1,0,0,0,0,0|3,0,0]=4 1094 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [1,0,0,0,0,0|3,0,0]=4 1095 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [1,0,0,0,0,0|3,0,0]=4 1096 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [1,0,0,0,0,0|3,0,0]=4 1097 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [1,0,0,0,0,0|3,0,0]=4 1098 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [1,0,0,0,0,0|3,0,0]=4 1099 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [1,0,0,0,0,0|3,0,0]=4 1100 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [1,0,0,0,0,0|3,0,0]=4 1101 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [1,0,0,0,0,0|3,0,0]=4 1102 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [1,0,0,0,0,0|3,0,0]=4 1103 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [1,0,0,0,0,0|3,0,0]=4 1104 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [1,0,0,0,0,0|3,0,0]=4 1105 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [1,0,0,0,0,0|3,0,0]=4 1106 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [1,0,0,0,0,0|3,0,0]=4 1107 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [1,0,0,0,0,0|3,0,0]=4 1108 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [1,0,0,0,0,0|3,0,0]=4 1109 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [1,0,0,0,0,0|3,0,0]=4 1110 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [1,0,0,0,0,0|3,0,0]=4 1111 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [1,0,0,0,0,0|3,0,0]=4 1112 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [1,0,0,0,0,0|3,0,0]=4 1113 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [1,0,0,0,0,0|3,0,0]=4 1114 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [1,0,0,0,0,0|3,0,0]=4 1115 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [1,0,0,0,0,0|3,0,0]=4 1116 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [1,0,0,0,0,0|3,0,0]=4 1117 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [1,0,0,0,0,0|3,0,0]=4 1118 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [1,0,0,0,0,0|2,0,1]=4 1119 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [1,0,0,0,0,0|3,0,0]=4 1120 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [1,0,0,0,0,0|3,0,0]=4 1121 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [1,0,0,0,0,0|3,0,0]=4 1122 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [1,0,0,0,0,0|3,0,0]=4 1123 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [1,0,0,0,0,0|3,0,0]=4 1124 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [1,0,0,0,0,0|3,0,0]=4 1125 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [1,0,0,0,0,0|3,0,0]=4 1126 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [1,0,0,0,0,0|3,0,0]=4 1127 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [1,0,0,0,0,0|3,0,0]=4 1128 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [1,0,0,0,0,0|2,0,1]=4 1129 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [1,0,0,0,0,0|3,0,0]=4 1130 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [1,0,0,0,0,0|3,0,0]=4 1131 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [1,0,0,0,0,0|3,0,0]=4 1132 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [1,0,0,0,0,0|3,0,0]=4 1133 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [1,0,0,0,0,0|3,0,0]=4 1134 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [1,0,0,0,0,0|3,0,0]=4 1135 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [1,0,0,0,0,0|3,0,0]=4 1136 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [1,0,0,0,0,0|3,0,0]=4 1137 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [1,0,0,0,0,0|3,0,0]=4 1138 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [1,0,0,0,0,0|3,0,0]=4 1139 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [1,0,0,0,0,0|3,0,0]=4 1140 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [1,0,0,0,0,0|3,0,0]=4 1141 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [1,0,0,0,0,0|3,0,0]=4 1142 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [1,0,0,0,0,0|3,0,0]=4 1143 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [1,0,0,0,0,0|3,0,0]=4 1144 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [1,0,0,0,0,0|3,0,0]=4 1145 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [1,0,0,0,0,0|3,0,0]=4 1146 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [1,0,0,0,0,0|3,0,0]=4 1147 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [1,0,0,0,0,0|3,0,0]=4 1148 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [1,0,0,0,0,0|3,0,0]=4 1149 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [1,0,0,0,0,0|3,0,0]=4 1150 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [1,0,0,0,0,0|3,0,0]=4 1151 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [1,0,0,0,0,0|3,0,0]=4 1152 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [1,0,0,0,0,0|3,0,0]=4 1153 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [1,0,0,0,0,0|3,0,0]=4 1154 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [1,0,0,0,0,0|3,0,0]=4 1155 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [1,0,0,0,0,0|3,0,0]=4 1156 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [1,0,0,0,0,0|3,0,0]=4 1157 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [1,0,0,0,0,0|3,0,0]=4 1158 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [1,0,0,0,0,0|3,0,0]=4 1159 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [1,0,0,0,0,0|2,0,1]=4 1160 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [1,0,0,0,0,0|3,0,0]=4 1161 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [1,0,0,0,0,0|3,0,0]=4 1162 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [1,0,0,0,0,0|3,0,0]=4 1163 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [1,0,0,0,0,0|3,0,0]=4 1164 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [1,0,0,0,0,0|3,0,0]=4 1165 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [1,0,0,0,0,0|3,0,0]=4 1166 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [1,0,0,0,0,0|3,0,0]=4 1167 B13R0.54 C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100009817552 [1,0,0,0,0,0|2,0,1]=4 1168 B13R0.54 C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100009817552 [1,0,0,0,0,0|2,0,1]=4 1169 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [1,0,0,0,0,0|3,0,0]=4 1170 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [1,0,0,0,0,0|3,0,0]=4 1171 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [1,0,0,0,0,0|2,0,0]=3 1172 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [1,0,0,0,0,0|2,1,0]=4 1173 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [1,0,0,0,0,0|2,1,0]=4 1174 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [1,0,0,0,0,0|2,1,0]=4 1175 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [1,0,0,0,0,0|2,1,0]=4 1176 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [1,0,0,0,0,0|2,1,0]=4 1177 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [1,0,0,0,0,0|2,1,0]=4 1178 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [1,0,0,0,0,0|2,1,0]=4 1179 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [1,0,0,0,0,0|3,0,0]=4 1180 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [1,0,0,0,0,0|3,0,0]=4 1181 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [1,0,0,0,0,0|2,1,0]=4 1182 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [1,0,0,0,0,0|2,1,0]=4 1183 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [1,0,0,0,0,0|3,0,0]=4 1184 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [1,0,0,0,0,0|3,0,0]=4 1185 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [1,0,0,0,0,0|2,1,0]=4 1186 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [1,0,0,0,0,0|3,0,0]=4 1187 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [1,0,0,0,0,0|2,1,0]=4 1188 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [1,0,0,0,0,0|2,1,0]=4 1189 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [1,0,0,0,0,0|3,0,0]=4 1190 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [1,0,0,0,0,0|3,0,0]=4 1191 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [1,0,0,0,0,0|2,1,0]=4 1192 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [1,0,0,0,0,0|3,0,0]=4 1193 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [1,0,0,0,0,0|3,0,0]=4 1194 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [1,0,0,0,0,0|2,0,0]=3 1195 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [1,0,0,0,0,0|2,0,0]=3 1196 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [1,0,0,0,0,0|2,1,0]=4 1197 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [1,0,0,0,0,0|2,1,0]=4 1198 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [1,0,0,0,0,0|2,1,0]=4 1199 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [1,0,0,0,0,0|2,1,0]=4 1200 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [1,0,0,0,0,0|2,1,0]=4 1201 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [1,0,0,0,0,0|2,1,0]=4 1202 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [1,0,0,0,0,0|3,0,0]=4 1203 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [1,0,0,0,0,0|3,0,0]=4 1204 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [1,0,0,0,0,0|3,0,0]=4 1205 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [1,0,0,0,0,0|3,0,0]=4 1206 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [1,0,0,0,0,0|2,0,0]=3 1207 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [1,0,0,0,0,0|2,0,0]=3 1208 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [1,0,0,0,0,0|3,0,0]=4 1209 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [1,0,0,0,0,0|3,0,0]=4 1210 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [1,0,0,0,0,0|3,0,0]=4 1211 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [1,0,0,0,0,0|3,0,0]=4 1212 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [1,0,0,0,0,0|3,0,0]=4 1213 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [1,0,0,0,0,0|3,0,0]=4 1214 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [1,0,0,0,0,0|3,0,0]=4 1215 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [1,0,0,0,0,0|2,0,0]=3 1216 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [1,0,0,0,0,0|2,0,0]=3 1217 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [1,0,0,0,0,0|2,1,0]=4 1218 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [1,0,0,0,0,0|2,1,0]=4 1219 B13R0.54 NC(=O)COCCOCCCCCBr 34a_100000746331_100000076697 [1,0,0,0,0,0|3,0,0]=4 1220 B13R0.54 NC(=O)COCCOCCCCCBr 7a_100000746331_100000076697 [1,0,0,0,0,0|3,0,0]=4 1221 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [1,0,0,0,0,0|3,0,0]=4 1222 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [1,0,0,0,0,0|3,0,0]=4 1223 B13R0.54 NC(=O)NCCOCCCCCCBr 7a_100011215345_200000034859 [1,0,0,0,0,0|3,0,0]=4 1224 B13R0.54 NC(=O)OCCOCCCCCCBr 34a_100011215345_200011214921 [1,0,0,0,0,0|3,0,0]=4 1225 B13R0.54 NC(=O)OCCOCCCCCCBr 7a_100011215345_200011214921 [1,0,0,0,0,0|3,0,0]=4 1226 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [1,0,0,0,0,0|3,0,0]=4 1227 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [1,0,0,0,0,0|2,0,1]=4 1228 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [1,0,0,0,0,0|3,0,0]=4 1229 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [1,0,0,0,0,0|3,0,0]=4 1230 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [1,0,0,0,0,0|3,0,0]=4 1231 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [1,0,0,0,0,0|2,0,0]=3 1232 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [1,0,0,0,0,0|2,1,0]=4 1233 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [1,0,0,0,0,0|3,0,0]=4 1234 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [1,0,0,0,0,0|3,0,0]=4 1235 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [1,0,0,0,0,0|1,1,1]=4 1236 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [1,0,0,0,0,0|2,0,1]=4 1237 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [1,0,0,0,0,0|2,0,1]=4 1238 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [1,0,0,0,0,0|1,0,1]=3 1239 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [1,0,0,0,0,0|1,1,1]=4 1240 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [1,0,0,0,0,0|2,0,1]=4 1241 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [1,0,0,0,0,0|2,0,1]=4 1242 B13R0.54 O=[N+]([O-])COCCCCCCCCBr 34a_100009813846_100000761209 [1,0,0,0,0,0|2,0,1]=4 1243 B13R0.54 OB(O)CCCCCCOCCCBr 34a_100011217188_100009817187 [1,0,0,0,0,0|2,0,1]=4 1244 B13R0.54 OB(O)CCCCCOCCCCBr 34a_100011216708_200009817188 [1,0,0,0,0,0|2,0,1]=4 1245 B13R0.54 OB(O)CCCCOCCCCCBr 34a_100000746331_200009817182 [1,0,0,0,0,0|2,0,1]=4 1246 B13R0.54 OB(O)CCCCOCCCCCBr 7a_100000746331_200009817182 [1,0,0,0,0,0|2,0,1]=4 1247 B13R0.336 C#CCCCCCCCCOCC=O 34a_100000065265_200009817547 [1,0,0,0,0,0|2,0,1]=4 1248 B13R0.336 C#CCCCCCCCCOCC=O 7a_100000065265_200015260668 [1,0,0,0,0,0|2,0,1]=4 1249 B13R0.336 C#CCCCCCCCOCCCBr 34a_100011217188_100153394163 [1,0,0,0,0,0|2,0,1]=4 1250 B13R0.336 C#CCCCCCCOCCCC=O 7a_100011217361_200011292268 [1,0,0,0,0,0|2,0,1]=4 1251 B13R0.336 C#CCCCCCCOCCCCBr 34a_100011216708_100012276617 [1,0,0,0,0,0|2,0,1]=4 1252 B13R0.336 C#CCCCCCCSCCCC=O 62a_100012276617_200011292268 [1,0,0,0,0,0|2,0,1]=4 1253 B13R0.336 C#CCCCCCCSCCCC=O 62a_200011292268_100012276617 [1,0,0,0,0,0|2,0,1]=4 1254 B13R0.336 C#CCCCCCOCCCCC=O 7a_100000766912_100000139335 [1,0,0,0,0,0|2,0,1]=4 1255 B13R0.336 C#CCCCCCOCCCCCBr 34a_100000746331_100012094781 [1,0,0,0,0,0|2,0,1]=4 1256 B13R0.336 C#CCCCCCOCCCCCBr 7a_100000746331_100012094781 [1,0,0,0,0,0|2,0,1]=4 1257 B13R0.336 C#CCCCCCSCCCCC=O 62a_100000139335_100012094781 [1,0,0,0,0,0|2,0,1]=4 1258 B13R0.336 C#CCCCCCSCCCCC=O 62a_100012094781_100000139335 [1,0,0,0,0,0|2,0,1]=4 1259 B13R0.336 C#CCCCCNCCCCCC=O 2230a_100000706060_100000139337 [1,0,0,0,0,0|2,0,1]=4 1260 B13R0.336 C#CCCCCOCCCCCC=O 7a_100000766709_100000139337 [1,0,0,0,0,0|2,0,1]=4 1261 B13R0.336 C#CCCCCOCCCCCCBr 34a_100011215345_100010269958 [1,0,0,0,0,0|2,0,1]=4 1262 B13R0.336 C#CCCCCOCCCCCCBr 7a_100011215345_100010269958 [1,0,0,0,0,0|2,0,1]=4 1263 B13R0.336 C#CCCCCSCCCCCC=O 62a_100000139337_100010269958 [1,0,0,0,0,0|2,0,1]=4 1264 B13R0.336 C#CCCCCSCCCCCC=O 62a_100010269958_100000139337 [1,0,0,0,0,0|2,0,1]=4 1265 B13R0.336 C#CCCCOCCCCCCCBr 34a_100000760002_100000695029 [1,0,0,0,0,0|2,0,1]=4 1266 B13R0.336 C#CCCCOCCCCCCCBr 7a_100000760002_100011215417 [1,0,0,0,0,0|2,0,1]=4 1267 B13R0.336 C#CCCOCCCCCCCCBr 34a_100009813846_100000688953 [1,0,0,0,0,0|2,0,1]=4 1268 B13R0.336 C#CCCOCCCCCCCCBr 7a_100009813846_100000688953 [1,0,0,0,0,0|2,0,1]=4 1269 B13R0.336 C#CCOCCCCCCCCCBr 34a_100009813782_100000184674 [1,0,0,0,0,0|2,0,1]=4 1270 B13R0.336 C#CCOCCCCCCCCCBr 7a_100009813782_100000038162 [1,0,0,0,0,0|2,0,1]=4 1271 B13R0.336 C/C=C/COCCCCCCCCBr 34a_100009813846_100102629194 [1,0,0,0,0,0|2,0,1]=4 1272 B13R0.336 C/C=C/COCCCCCCCCBr 7a_100009813846_100102629194 [1,0,0,0,0,0|2,0,1]=4 1273 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [1,0,0,0,0,0|3,0,0]=4 1274 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [1,0,0,0,0,0|3,0,0]=4 1275 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [1,0,0,0,0,0|3,0,0]=4 1276 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [1,0,0,0,0,0|3,0,0]=4 1277 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [1,0,0,0,0,0|3,0,0]=4 1278 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [1,0,0,0,0,0|3,0,0]=4 1279 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [1,0,0,0,0,0|3,0,0]=4 1280 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [1,0,0,0,0,0|2,1,0]=4 1281 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [1,0,0,0,0,0|3,0,0]=4 1282 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [1,0,0,0,0,0|3,0,0]=4 1283 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [1,0,0,0,0,0|3,0,0]=4 1284 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [1,0,0,0,0,0|2,1,0]=4 1285 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [1,0,0,0,0,0|2,1,0]=4 1286 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [1,0,0,0,0,0|2,1,0]=4 1287 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [1,0,0,0,0,0|2,1,0]=4 1288 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [1,0,0,0,0,0|2,1,0]=4 1289 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [1,0,0,0,0,0|3,0,0]=4 1290 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [1,0,0,0,0,0|3,0,0]=4 1291 B13R0.336 C=CCCCCCCCCOCC=O 34a_100011215194_200009817547 [1,0,0,0,0,0|2,0,1]=4 1292 B13R0.336 C=CCCCCCCCCOCC=O 7a_100011215194_200015260668 [1,0,0,0,0,0|2,0,1]=4 1293 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [1,0,0,0,0,0|2,0,0]=3 1294 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [1,0,0,0,0,0|3,0,0]=4 1295 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [1,0,0,0,0,0|3,0,0]=4 1296 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [1,0,0,0,0,0|3,0,0]=4 1297 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [1,0,0,0,0,0|2,1,0]=4 1298 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [1,0,0,0,0,0|2,1,0]=4 1299 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [1,0,0,0,0,0|3,0,0]=4 1300 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [1,0,0,0,0,0|3,0,0]=4 1301 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [1,0,0,0,0,0|3,0,0]=4 1302 B13R0.336 C=CCCCCCCCCSCC=O 62a_100011933949_200015260668 [1,0,0,0,0,0|2,0,1]=4 1303 B13R0.336 C=CCCCCCCCCSCC=O 62a_200015260668_100011933949 [1,0,0,0,0,0|2,0,1]=4 1304 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [1,0,0,0,0,0|2,1,0]=4 1305 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [1,0,0,0,0,0|2,1,0]=4 1306 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [1,0,0,0,0,0|3,0,0]=4 1307 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [1,0,0,0,0,0|3,0,0]=4 1308 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [1,0,0,0,0,0|3,0,0]=4 1309 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [1,0,0,0,0,0|3,0,0]=4 1310 B13R0.336 C=CCCCCCCCNCCCF 2230a_100015189416_100012355270 [1,0,0,0,0,0|2,1,0]=4 1311 B13R0.336 C=CCCCCCCCNCCCF 34a_100015189416_100012355270 [1,0,0,0,0,0|2,1,0]=4 1312 B13R0.336 C=CCCCCCCCOCCCBr 34a_100011217188_100012355270 [1,0,0,0,0,0|2,0,0]=3 1313 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [1,0,0,0,0,0|3,0,0]=4 1314 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [1,0,0,0,0,0|3,0,0]=4 1315 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [1,0,0,0,0,0|3,0,0]=4 1316 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [1,0,0,0,0,0|3,0,0]=4 1317 B13R0.336 C=CCCCCCCCOCCCCl 34a_100000230001_100012355270 [1,0,0,0,0,0|2,1,0]=4 1318 B13R0.336 C=CCCCCCCCOCCCF 34a_100000730831_100011934791 [1,0,0,0,0,0|2,1,0]=4 1319 B13R0.336 C=CCCCCCCCOCCCF 34a_100000759539_100012355270 [1,0,0,0,0,0|2,1,0]=4 1320 B13R0.336 C=CCCCCCCCOCCCF 7a_100000730831_100011934791 [1,0,0,0,0,0|2,1,0]=4 1321 B13R0.336 C=CCCCCCCCOCCCN 34a_100000182051_100012355270 [1,0,0,0,0,0|3,0,0]=4 1322 B13R0.336 C=CCCCCCCCOCCCO 34a_100000730831_100000230001 [1,0,0,0,0,0|3,0,0]=4 1323 B13R0.336 C=CCCCCCCCOCCCO 7a_100000730831_100011215043 [1,0,0,0,0,0|3,0,0]=4 1324 B13R0.336 C=CCCCCCCCSCCCF 62a_100011934791_100012355270 [1,0,0,0,0,0|2,1,0]=4 1325 B13R0.336 C=CCCCCCCCSCCCF 62a_100012355270_100011934791 [1,0,0,0,0,0|2,1,0]=4 1326 B13R0.336 C=CCCCCCCCSCCCO 62a_100011215043_100012355270 [1,0,0,0,0,0|3,0,0]=4 1327 B13R0.336 C=CCCCCCCCSCCCO 62a_100012355270_100011215043 [1,0,0,0,0,0|3,0,0]=4 1328 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [1,0,0,0,0,0|3,0,0]=4 1329 B13R0.336 C=CCCCCCCNCCCCO 2230a_100000750430_100011215473 [1,0,0,0,0,0|3,0,0]=4 1330 B13R0.336 C=CCCCCCCNCCCCO 34a_100000750430_100011215473 [1,0,0,0,0,0|3,0,0]=4 1331 B13R0.336 C=CCCCCCCOCCCC=O 7a_200011216477_200011292268 [1,0,0,0,0,0|2,0,1]=4 1332 B13R0.336 C=CCCCCCCOCCCCBr 34a_100011216708_100011215473 [1,0,0,0,0,0|2,0,0]=3 1333 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [1,0,0,0,0,0|3,0,0]=4 1334 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [1,0,0,0,0,0|3,0,0]=4 1335 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [1,0,0,0,0,0|3,0,0]=4 1336 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [1,0,0,0,0,0|3,0,0]=4 1337 B13R0.336 C=CCCCCCCOCCCCCl 34a_100000210776_100011215473 [1,0,0,0,0,0|2,1,0]=4 1338 B13R0.336 C=CCCCCCCOCCCCCl 7a_100000210776_100011215473 [1,0,0,0,0,0|2,1,0]=4 1339 B13R0.336 C=CCCCCCCOCCCCF 34a_100011995726_100011215473 [1,0,0,0,0,0|2,1,0]=4 1340 B13R0.336 C=CCCCCCCOCCCCF 34a_200011216477_100000729493 [1,0,0,0,0,0|2,1,0]=4 1341 B13R0.336 C=CCCCCCCOCCCCF 7a_100011995726_100011215473 [1,0,0,0,0,0|2,1,0]=4 1342 B13R0.336 C=CCCCCCCOCCCCF 7a_200011216477_100000729493 [1,0,0,0,0,0|2,1,0]=4 1343 B13R0.336 C=CCCCCCCOCCCCI 34a_200012148704_100011215473 [1,0,0,0,0,0|2,1,0]=4 1344 B13R0.336 C=CCCCCCCOCCCCN 34a_100000750430_100011215473 [1,0,0,0,0,0|3,0,0]=4 1345 B13R0.336 C=CCCCCCCOCCCCO 34a_200011216477_100011216708 [1,0,0,0,0,0|3,0,0]=4 1346 B13R0.336 C=CCCCCCCOCCCCO 7a_200011216477_100000210776 [1,0,0,0,0,0|3,0,0]=4 1347 B13R0.336 C=CCCCCCCSCCCC=O 62a_100011215473_200011292268 [1,0,0,0,0,0|2,0,1]=4 1348 B13R0.336 C=CCCCCCCSCCCC=O 62a_200011292268_100011215473 [1,0,0,0,0,0|2,0,1]=4 1349 B13R0.336 C=CCCCCCCSCCCCF 62a_100000729493_100011215473 [1,0,0,0,0,0|2,1,0]=4 1350 B13R0.336 C=CCCCCCCSCCCCF 62a_100011215473_100000729493 [1,0,0,0,0,0|2,1,0]=4 1351 B13R0.336 C=CCCCCCCSCCCCO 62a_100000210776_100011215473 [1,0,0,0,0,0|3,0,0]=4 1352 B13R0.336 C=CCCCCCCSCCCCO 62a_100011215473_100000210776 [1,0,0,0,0,0|3,0,0]=4 1353 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [1,0,0,0,0,0|3,0,0]=4 1354 B13R0.336 C=CCCCCCNCCCCCO 2230a_100000762737_100000700193 [1,0,0,0,0,0|3,0,0]=4 1355 B13R0.336 C=CCCCCCNCCCCCO 34a_100000762737_100000700193 [1,0,0,0,0,0|3,0,0]=4 1356 B13R0.336 C=CCCCCCOCCCCC=O 7a_100011216702_100000139335 [1,0,0,0,0,0|2,0,1]=4 1357 B13R0.336 C=CCCCCCOCCCCCBr 34a_100000746331_100000700193 [1,0,0,0,0,0|2,0,0]=3 1358 B13R0.336 C=CCCCCCOCCCCCBr 7a_100000746331_100000700193 [1,0,0,0,0,0|2,0,0]=3 1359 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [1,0,0,0,0,0|3,0,0]=4 1360 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [1,0,0,0,0,0|3,0,0]=4 1361 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [1,0,0,0,0,0|3,0,0]=4 1362 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [1,0,0,0,0,0|3,0,0]=4 1363 B13R0.336 C=CCCCCCOCCCCCCl 34a_100000746330_100000700193 [1,0,0,0,0,0|2,1,0]=4 1364 B13R0.336 C=CCCCCCOCCCCCCl 7a_100000746330_100000700193 [1,0,0,0,0,0|2,1,0]=4 1365 B13R0.336 C=CCCCCCOCCCCCF 34a_100011216702_100000729378 [1,0,0,0,0,0|2,1,0]=4 1366 B13R0.336 C=CCCCCCOCCCCCF 7a_100011216702_100000729378 [1,0,0,0,0,0|2,1,0]=4 1367 B13R0.336 C=CCCCCCOCCCCCI 34a_200012148887_100000700193 [1,0,0,0,0,0|2,1,0]=4 1368 B13R0.336 C=CCCCCCOCCCCCI 7a_200012148887_100000700193 [1,0,0,0,0,0|2,1,0]=4 1369 B13R0.336 C=CCCCCCOCCCCCN 34a_100000762737_100000700193 [1,0,0,0,0,0|3,0,0]=4 1370 B13R0.336 C=CCCCCCOCCCCCO 34a_100011216702_100000746330 [1,0,0,0,0,0|3,0,0]=4 1371 B13R0.336 C=CCCCCCOCCCCCO 7a_100011216702_100000746330 [1,0,0,0,0,0|3,0,0]=4 1372 B13R0.336 C=CCCCCCOCCOCCBr 34a_100000692535_100000700193 [1,0,0,0,0,0|3,0,0]=4 1373 B13R0.336 C=CCCCCCOCCOCCBr 7a_100000692535_100000700193 [1,0,0,0,0,0|3,0,0]=4 1374 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000139335_100000700193 [1,0,0,0,0,0|2,0,1]=4 1375 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000700193_100000139335 [1,0,0,0,0,0|2,0,1]=4 1376 B13R0.336 C=CCCCCCSCCCCCF 62a_100000700193_100000729378 [1,0,0,0,0,0|2,1,0]=4 1377 B13R0.336 C=CCCCCCSCCCCCF 62a_100000729378_100000700193 [1,0,0,0,0,0|2,1,0]=4 1378 B13R0.336 C=CCCCCCSCCCCCO 62a_100000700193_100000746330 [1,0,0,0,0,0|3,0,0]=4 1379 B13R0.336 C=CCCCCCSCCCCCO 62a_100000746330_100000700193 [1,0,0,0,0,0|3,0,0]=4 1380 B13R0.336 C=CCCCCNCCCCCC=O 2230a_100000703577_100000139337 [1,0,0,0,0,0|2,0,1]=4 1381 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [1,0,0,0,0,0|3,0,0]=4 1382 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [1,0,0,0,0,0|3,0,0]=4 1383 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [1,0,0,0,0,0|3,0,0]=4 1384 B13R0.336 C=CCCCCNCCCCCCF 2230a_100000703577_100015922095 [1,0,0,0,0,0|2,1,0]=4 1385 B13R0.336 C=CCCCCNCCCCCCF 34a_100000703577_100015922095 [1,0,0,0,0,0|2,1,0]=4 1386 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000686447_100011215482 [1,0,0,0,0,0|3,0,0]=4 1387 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000703577_100000766143 [1,0,0,0,0,0|3,0,0]=4 1388 B13R0.336 C=CCCCCNCCCCCCO 34a_100000686447_100011215482 [1,0,0,0,0,0|3,0,0]=4 1389 B13R0.336 C=CCCCCNCCCCCCO 34a_100000703577_100000766143 [1,0,0,0,0,0|3,0,0]=4 1390 B13R0.336 C=CCCCCOCCCCCC=O 7a_100000766645_100000139337 [1,0,0,0,0,0|2,0,1]=4 1391 B13R0.336 C=CCCCCOCCCCCCBr 34a_100011215345_100011215482 [1,0,0,0,0,0|2,0,0]=3 1392 B13R0.336 C=CCCCCOCCCCCCBr 7a_100011215345_100011215482 [1,0,0,0,0,0|2,0,0]=3 1393 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [1,0,0,0,0,0|3,0,0]=4 1394 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [1,0,0,0,0,0|3,0,0]=4 1395 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [1,0,0,0,0,0|3,0,0]=4 1396 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [1,0,0,0,0,0|3,0,0]=4 1397 B13R0.336 C=CCCCCOCCCCCCCl 34a_100000766143_100011215482 [1,0,0,0,0,0|2,1,0]=4 1398 B13R0.336 C=CCCCCOCCCCCCCl 7a_100000766143_100011215482 [1,0,0,0,0,0|2,1,0]=4 1399 B13R0.336 C=CCCCCOCCCCCCF 34a_100000732779_100011215482 [1,0,0,0,0,0|2,1,0]=4 1400 B13R0.336 C=CCCCCOCCCCCCF 34a_100000766645_100015922095 [1,0,0,0,0,0|2,1,0]=4 1401 B13R0.336 C=CCCCCOCCCCCCF 7a_100000732779_100011215482 [1,0,0,0,0,0|2,1,0]=4 1402 B13R0.336 C=CCCCCOCCCCCCF 7a_100000766645_100015922095 [1,0,0,0,0,0|2,1,0]=4 1403 B13R0.336 C=CCCCCOCCCCCCN 34a_100000686447_100011215482 [1,0,0,0,0,0|3,0,0]=4 1404 B13R0.336 C=CCCCCOCCCCCCO 34a_100000766645_100000766143 [1,0,0,0,0,0|3,0,0]=4 1405 B13R0.336 C=CCCCCOCCCCCCO 7a_100000766645_100000766143 [1,0,0,0,0,0|3,0,0]=4 1406 B13R0.336 C=CCCCCSCCCCCC=O 62a_100000139337_100011215482 [1,0,0,0,0,0|2,0,1]=4 1407 B13R0.336 C=CCCCCSCCCCCC=O 62a_100011215482_100000139337 [1,0,0,0,0,0|2,0,1]=4 1408 B13R0.336 C=CCCCCSCCCCCCF 62a_100011215482_100015922095 [1,0,0,0,0,0|2,1,0]=4 1409 B13R0.336 C=CCCCCSCCCCCCF 62a_100015922095_100011215482 [1,0,0,0,0,0|2,1,0]=4 1410 B13R0.336 C=CCCCCSCCCCCCO 62a_100000766143_100011215482 [1,0,0,0,0,0|3,0,0]=4 1411 B13R0.336 C=CCCCCSCCCCCCO 62a_100011215482_100000766143 [1,0,0,0,0,0|3,0,0]=4 1412 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [1,0,0,0,0,0|3,0,0]=4 1413 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [1,0,0,0,0,0|3,0,0]=4 1414 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [1,0,0,0,0,0|3,0,0]=4 1415 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [1,0,0,0,0,0|3,0,0]=4 1416 B13R0.336 C=CCCCNCCCCCCCO 2230a_100000700776_100000760002 [1,0,0,0,0,0|3,0,0]=4 1417 B13R0.336 C=CCCCNCCCCCCCO 2230a_100011996573_100011713584 [1,0,0,0,0,0|3,0,0]=4 1418 B13R0.336 C=CCCCNCCCCCCCO 34a_100000700776_100000760002 [1,0,0,0,0,0|3,0,0]=4 1419 B13R0.336 C=CCCCNCCCCCCCO 34a_100011996573_100000757094 [1,0,0,0,0,0|3,0,0]=4 1420 B13R0.336 C=CCCCOCCCCCCCBr 34a_100000760002_100000757094 [1,0,0,0,0,0|2,0,0]=3 1421 B13R0.336 C=CCCCOCCCCCCCBr 7a_100000760002_100000757094 [1,0,0,0,0,0|2,0,0]=3 1422 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [1,0,0,0,0,0|3,0,0]=4 1423 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [1,0,0,0,0,0|3,0,0]=4 1424 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [1,0,0,0,0,0|3,0,0]=4 1425 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [1,0,0,0,0,0|3,0,0]=4 1426 B13R0.336 C=CCCCOCCCCCCCN 34a_100011996573_100000757094 [1,0,0,0,0,0|3,0,0]=4 1427 B13R0.336 C=CCCCOCCCCCCCO 34a_100000758997_100000760002 [1,0,0,0,0,0|3,0,0]=4 1428 B13R0.336 C=CCCCOCCCCCCCO 7a_100000758997_100000760002 [1,0,0,0,0,0|3,0,0]=4 1429 B13R0.336 C=CCCCSCCCCCCCO 62a_100000760002_100000757094 [1,0,0,0,0,0|3,0,0]=4 1430 B13R0.336 C=CCCCSCCCCCCCO 62a_100011713584_100000760002 [1,0,0,0,0,0|3,0,0]=4 1431 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [1,0,0,0,0,0|3,0,0]=4 1432 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [1,0,0,0,0,0|3,0,0]=4 1433 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [1,0,0,0,0,0|3,0,0]=4 1434 B13R0.336 C=CCCNCCCCCCCCO 2230a_100015191253_100000033203 [1,0,0,0,0,0|3,0,0]=4 1435 B13R0.336 C=CCCNCCCCCCCCO 2230a_102515433106_100000754431 [1,0,0,0,0,0|3,0,0]=4 1436 B13R0.336 C=CCCNCCCCCCCCO 34a_102515433106_100000754431 [1,0,0,0,0,0|3,0,0]=4 1437 B13R0.336 C=CCCOCCCCCCCCBr 34a_100009813846_100000754431 [1,0,0,0,0,0|2,0,0]=3 1438 B13R0.336 C=CCCOCCCCCCCCBr 7a_100009813846_100000754431 [1,0,0,0,0,0|2,0,0]=3 1439 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [1,0,0,0,0,0|3,0,0]=4 1440 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [1,0,0,0,0,0|3,0,0]=4 1441 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [1,0,0,0,0,0|3,0,0]=4 1442 B13R0.336 C=CCCOCCCCCCCCCl 34a_100000033203_100000754431 [1,0,0,0,0,0|2,1,0]=4 1443 B13R0.336 C=CCCOCCCCCCCCCl 7a_100000033203_100000754431 [1,0,0,0,0,0|2,1,0]=4 1444 B13R0.336 C=CCCOCCCCCCCCN 34a_102515433106_100000754431 [1,0,0,0,0,0|3,0,0]=4 1445 B13R0.336 C=CCCOCCCCCCCCO 34a_100011205117_100000033203 [1,0,0,0,0,0|3,0,0]=4 1446 B13R0.336 C=CCCSCCCCCCCCO 62a_100000033203_100000754431 [1,0,0,0,0,0|3,0,0]=4 1447 B13R0.336 C=CCCSCCCCCCCCO 62a_100000754431_100000033203 [1,0,0,0,0,0|3,0,0]=4 1448 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [1,0,0,0,0,0|3,0,0]=4 1449 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [1,0,0,0,0,0|3,0,0]=4 1450 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [1,0,0,0,0,0|3,0,0]=4 1451 B13R0.336 C=CCNCCCCCCCCCO 2230a_100000078944_100000210623 [1,0,0,0,0,0|3,0,0]=4 1452 B13R0.336 C=CCNCCCCCCCCCO 2230a_100020586998_100009813782 [1,0,0,0,0,0|3,0,0]=4 1453 B13R0.336 C=CCNCCCCCCCCCO 34a_100000078944_100015514636 [1,0,0,0,0,0|3,0,0]=4 1454 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [1,0,0,0,0,0|2,0,0]=3 1455 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [1,0,0,0,0,0|2,0,0]=3 1456 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [1,0,0,0,0,0|3,0,0]=4 1457 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [1,0,0,0,0,0|3,0,0]=4 1458 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [1,0,0,0,0,0|3,0,0]=4 1459 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [1,0,0,0,0,0|2,1,0]=4 1460 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [1,0,0,0,0,0|2,1,0]=4 1461 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [1,0,0,0,0,0|3,0,0]=4 1462 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [1,0,0,0,0,0|3,0,0]=4 1463 B13R0.336 C=CCSCCCCCCCCCO 62a_100000210623_100009813782 [1,0,0,0,0,0|3,0,0]=4 1464 B13R0.336 C=CCSCCCCCCCCCO 62a_100009813782_100000210623 [1,0,0,0,0,0|3,0,0]=4 1465 B13R0.336 C=COCCOCCCCCCCBr 34a_100000760002_100000039644 [1,0,0,0,0,0|3,0,0]=4 1466 B13R0.336 C=COCCOCCCCCCCBr 7a_100000760002_100000039644 [1,0,0,0,0,0|3,0,0]=4 1467 B13R0.336 CC=CCOCCCCCCCCBr 34a_100009813846_100000070051 [1,0,0,0,0,0|2,0,1]=4 1468 B13R0.336 CC=CCOCCCCCCCCBr 7a_100009813846_100000070051 [1,0,0,0,0,0|2,0,1]=4 1469 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [1,0,0,0,0,0|3,0,0]=4 1470 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [1,0,0,0,0,0|3,0,0]=4 1471 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [1,0,0,0,0,0|3,0,0]=4 1472 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [1,0,0,0,0,0|3,0,0]=4 1473 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [1,0,0,0,0,0|3,0,0]=4 1474 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [1,0,0,0,0,0|3,0,0]=4 1475 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [1,0,0,0,0,0|3,0,0]=4 1476 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [1,0,0,0,0,0|3,0,0]=4 1477 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [1,0,0,0,0,0|3,0,0]=4 1478 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [1,0,0,0,0,0|3,0,0]=4 1479 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [1,0,0,0,0,0|3,0,0]=4 1480 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [1,0,0,0,0,0|3,0,0]=4 1481 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [1,0,0,0,0,0|3,0,0]=4 1482 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [1,0,0,0,0,0|2,0,0]=3 1483 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [1,0,0,0,0,0|2,0,0]=3 1484 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [1,0,0,0,0,0|2,0,1]=4 1485 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [1,0,0,0,0,0|2,0,1]=4 1486 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [1,0,0,0,0,0|2,0,1]=4 1487 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [1,0,0,0,0,0|2,0,1]=4 1488 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [1,0,0,0,0,0|2,0,0]=3 1489 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [1,0,0,0,0,0|2,0,0]=3 1490 B13R0.336 CCCCCCCCCCOCCBr 34a_100000211926_100000210320 [1,0,0,0,0,0|2,0,1]=4 1491 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [1,0,0,0,0,0|2,0,1]=4 1492 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [1,0,0,0,0,0|2,0,1]=4 1493 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [1,0,0,0,0,0|2,0,0]=3 1494 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [1,0,0,0,0,0|2,0,1]=4 1495 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [1,0,0,0,0,0|2,0,1]=4 1496 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [1,0,0,0,0,0|2,0,1]=4 1497 B13R0.336 CCCCCCCCCOCCCBr 34a_100011217188_100011214924 [1,0,0,0,0,0|2,0,1]=4 1498 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [1,0,0,0,0,0|2,0,1]=4 1499 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [1,0,0,0,0,0|2,0,1]=4 1500 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [1,0,0,0,0,0|2,0,1]=4 1501 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [1,0,0,0,0,0|2,0,0]=3 1502 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [1,0,0,0,0,0|2,0,1]=4 1503 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [1,0,0,0,0,0|2,0,1]=4 1504 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [1,0,0,0,0,0|2,0,1]=4 1505 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [1,0,0,0,0,0|2,0,1]=4 1506 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [1,0,0,0,0,0|2,0,0]=3 1507 B13R0.336 CCCCCCCCOCCCCBr 34a_100011216708_100000210759 [1,0,0,0,0,0|2,0,1]=4 1508 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [1,0,0,0,0,0|2,0,1]=4 1509 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [1,0,0,0,0,0|2,0,1]=4 1510 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [1,0,0,0,0,0|2,0,0]=3 1511 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [1,0,0,0,0,0|2,0,0]=3 1512 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [1,0,0,0,0,0|2,0,1]=4 1513 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [1,0,0,0,0,0|2,0,1]=4 1514 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [1,0,0,0,0,0|2,0,0]=3 1515 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [1,0,0,0,0,0|2,0,1]=4 1516 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [1,0,0,0,0,0|2,0,1]=4 1517 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [1,0,0,0,0,0|2,0,1]=4 1518 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [1,0,0,0,0,0|2,0,0]=3 1519 B13R0.336 CCCCCCCOCCCCCBr 34a_100000746331_100000210614 [1,0,0,0,0,0|2,0,1]=4 1520 B13R0.336 CCCCCCCOCCCCCBr 7a_100000746331_100000210614 [1,0,0,0,0,0|2,0,1]=4 1521 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [1,0,0,0,0,0|2,0,1]=4 1522 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [1,0,0,0,0,0|2,0,1]=4 1523 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [1,0,0,0,0,0|2,0,0]=3 1524 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [1,0,0,0,0,0|2,0,0]=3 1525 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [1,0,0,0,0,0|2,0,1]=4 1526 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [1,0,0,0,0,0|2,0,1]=4 1527 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [1,0,0,0,0,0|2,0,0]=3 1528 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [1,0,0,0,0,0|2,0,1]=4 1529 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [1,0,0,0,0,0|2,0,1]=4 1530 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [1,0,0,0,0,0|2,0,1]=4 1531 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [1,0,0,0,0,0|2,0,0]=3 1532 B13R0.336 CCCCCCOCCCCCCBr 34a_100011215345_100000210314 [1,0,0,0,0,0|2,0,1]=4 1533 B13R0.336 CCCCCCOCCCCCCBr 7a_100011215345_100000210314 [1,0,0,0,0,0|2,0,1]=4 1534 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [1,0,0,0,0,0|2,0,1]=4 1535 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [1,0,0,0,0,0|2,0,1]=4 1536 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [1,0,0,0,0,0|2,0,0]=3 1537 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [1,0,0,0,0,0|2,0,0]=3 1538 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [1,0,0,0,0,0|2,0,1]=4 1539 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [1,0,0,0,0,0|2,0,1]=4 1540 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [1,0,0,0,0,0|2,0,1]=4 1541 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [1,0,0,0,0,0|2,0,1]=4 1542 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [1,0,0,0,0,0|2,0,1]=4 1543 B13R0.336 CCCCCOCCCCCCCBr 34a_100000760002_100000718602 [1,0,0,0,0,0|2,0,1]=4 1544 B13R0.336 CCCCCOCCCCCCCBr 7a_100000760002_100000210326 [1,0,0,0,0,0|2,0,1]=4 1545 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [1,0,0,0,0,0|2,0,1]=4 1546 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [1,0,0,0,0,0|2,0,1]=4 1547 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [1,0,0,0,0,0|3,0,0]=4 1548 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [1,0,0,0,0,0|2,0,1]=4 1549 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [1,0,0,0,0,0|2,0,1]=4 1550 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [1,0,0,0,0,0|2,0,1]=4 1551 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [1,0,0,0,0,0|2,0,1]=4 1552 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [1,0,0,0,0,0|2,0,1]=4 1553 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [1,0,0,0,0,0|2,0,1]=4 1554 B13R0.336 CCCCOCCCCCCCCBr 34a_100009813846_100000210210 [1,0,0,0,0,0|2,0,1]=4 1555 B13R0.336 CCCCOCCCCCCCCBr 7a_100009813846_100000210211 [1,0,0,0,0,0|2,0,1]=4 1556 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [1,0,0,0,0,0|2,0,1]=4 1557 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [1,0,0,0,0,0|2,0,1]=4 1558 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [1,0,0,0,0,0|3,0,0]=4 1559 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [1,0,0,0,0,0|3,0,0]=4 1560 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [1,0,0,0,0,0|3,0,0]=4 1561 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [1,0,0,0,0,0|3,0,0]=4 1562 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [1,0,0,0,0,0|3,0,0]=4 1563 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [1,0,0,0,0,0|3,0,0]=4 1564 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [1,0,0,0,0,0|3,0,0]=4 1565 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [1,0,0,0,0,0|2,0,1]=4 1566 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [1,0,0,0,0,0|2,0,1]=4 1567 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [1,0,0,0,0,0|3,0,0]=4 1568 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [1,0,0,0,0,0|3,0,0]=4 1569 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [1,0,0,0,0,0|2,0,1]=4 1570 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [1,0,0,0,0,0|2,0,1]=4 1571 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [1,0,0,0,0,0|2,0,1]=4 1572 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [1,0,0,0,0,0|2,0,1]=4 1573 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [1,0,0,0,0,0|2,0,1]=4 1574 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [1,0,0,0,0,0|3,0,0]=4 1575 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [1,0,0,0,0,0|3,0,0]=4 1576 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [1,0,0,0,0,0|3,0,0]=4 1577 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [1,0,0,0,0,0|3,0,0]=4 1578 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [1,0,0,0,0,0|3,0,0]=4 1579 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [1,0,0,0,0,0|2,0,1]=4 1580 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [1,0,0,0,0,0|2,0,1]=4 1581 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [1,0,0,0,0,0|3,0,0]=4 1582 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [1,0,0,0,0,0|3,0,0]=4 1583 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [1,0,0,0,0,0|2,0,1]=4 1584 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [1,0,0,0,0,0|2,0,1]=4 1585 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [1,0,0,0,0,0|2,0,1]=4 1586 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [1,0,0,0,0,0|2,0,1]=4 1587 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [1,0,0,0,0,0|2,0,1]=4 1588 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [1,0,0,0,0,0|2,0,1]=4 1589 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [1,0,0,0,0,0|3,0,0]=4 1590 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [1,0,0,0,0,0|3,0,0]=4 1591 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [1,0,0,0,0,0|3,0,0]=4 1592 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [1,0,0,0,0,0|3,0,0]=4 1593 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [1,0,0,0,0,0|2,0,1]=4 1594 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [1,0,0,0,0,0|2,0,1]=4 1595 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [1,0,0,0,0,0|3,0,0]=4 1596 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [1,0,0,0,0,0|2,0,1]=4 1597 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [1,0,0,0,0,0|2,0,1]=4 1598 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [1,0,0,0,0,0|2,0,1]=4 1599 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [1,0,0,0,0,0|2,0,0]=3 1600 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [1,0,0,0,0,0|2,0,0]=3 1601 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [1,0,0,0,0,0|2,0,1]=4 1602 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [1,0,0,0,0,0|3,0,0]=4 1603 B13R0.336 COCCCCCCOCCCCBr 34a_100011216708_100011998445 [1,0,0,0,0,0|3,0,0]=4 1604 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [1,0,0,0,0,0|3,0,0]=4 1605 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [1,0,0,0,0,0|3,0,0]=4 1606 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [1,0,0,0,0,0|3,0,0]=4 1607 B13R0.336 COCCCCOCCCCCCBr 34a_100011215345_100000755781 [1,0,0,0,0,0|3,0,0]=4 1608 B13R0.336 COCCCCOCCCCCCBr 7a_100011215345_100000730899 [1,0,0,0,0,0|3,0,0]=4 1609 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [1,0,0,0,0,0|3,0,0]=4 1610 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [1,0,0,0,0,0|3,0,0]=4 1611 B13R0.336 COCCCOCCCCCCCBr 34a_100000760002_100000740836 [1,0,0,0,0,0|3,0,0]=4 1612 B13R0.336 COCCCOCCCCCCCBr 7a_100000760002_100000740836 [1,0,0,0,0,0|3,0,0]=4 1613 B13R0.336 COCCOCCCCCCCCBr 34a_100009813846_100011201679 [1,0,0,0,0,0|3,0,0]=4 1614 B13R0.336 COCCOCCCCCCCCBr 7a_100009813846_100000233755 [1,0,0,0,0,0|3,0,0]=4 1615 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [1,0,0,0,0,0|2,0,1]=4 1616 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [1,0,0,0,0,0|3,0,0]=4 1617 B13R0.336 CSCCOCCCCCCCCBr 34a_100009813846_100000212216 [1,0,0,0,0,0|3,0,0]=4 1618 B13R0.336 CSCCOCCCCCCCCBr 7a_100009813846_100000212216 [1,0,0,0,0,0|3,0,0]=4 1619 B13R0.336 CSCOCCCCCCCCCBr 34a_100009813782_100011218213 [1,0,0,0,0,0|3,0,0]=4 1620 B13R0.336 FCCCCCCOCCCCCBr 34a_100000746331_100015922095 [1,0,0,0,0,0|2,0,1]=4 1621 B13R0.336 FCCCCCCOCCCCCBr 7a_100000746331_100015922095 [1,0,0,0,0,0|2,0,1]=4 1622 B13R0.336 FCCCCCOCCCCCCBr 34a_100011215345_100000729378 [1,0,0,0,0,0|2,0,1]=4 1623 B13R0.336 FCCCCCOCCCCCCBr 7a_100011215345_100000729378 [1,0,0,0,0,0|2,0,1]=4 1624 B13R0.336 FCCCCOCCCCCCCBr 34a_100000760002_100000729493 [1,0,0,0,0,0|2,0,1]=4 1625 B13R0.336 FCCCCOCCCCCCCBr 7a_100000760002_100000729493 [1,0,0,0,0,0|2,0,1]=4 1626 B13R0.336 FCCCOCCCCCCCCBr 34a_100009813846_100011934791 [1,0,0,0,0,0|2,0,1]=4 1627 B13R0.336 FCCCOCCCCCCCCBr 7a_100009813846_100011934791 [1,0,0,0,0,0|2,0,1]=4 1628 B13R0.336 FCCOCCCCCCCCCBr 34a_100009813782_100011217306 [1,0,0,0,0,0|2,0,1]=4 1629 B13R0.336 FCCOCCCCCCCCCBr 7a_100009813782_100011217306 [1,0,0,0,0,0|2,0,1]=4 1630 B13R0.336 FCOCCCCCCCCCCBr 34a_100009813290_100015361967 [1,0,0,0,0,0|2,0,1]=4 1631 B13R0.336 FCOCCCCCCCCCCBr 7a_100009813290_100015361967 [1,0,0,0,0,0|2,0,1]=4 1632 B13R0.336 N#CCCCCCCSCCCC=O 62a_100009813337_200011292268 [1,0,0,0,0,0|2,0,1]=4 1633 B13R0.336 N#CCCCCCCSCCCC=O 62a_200011292268_100009813337 [1,0,0,0,0,0|2,0,1]=4 1634 B13R0.336 N#CCCCCCOCCCCCBr 7a_100000746331_100009813376 [1,0,0,0,0,0|2,0,1]=4 1635 B13R0.336 N#CCCCCCSCCCCC=O 62a_100000139335_100009813376 [1,0,0,0,0,0|2,0,1]=4 1636 B13R0.336 N#CCCCCCSCCCCC=O 62a_100009813376_100000139335 [1,0,0,0,0,0|2,0,1]=4 1637 B13R0.336 N#CCCCCOCCCCCCBr 7a_100011215345_100000211819 [1,0,0,0,0,0|2,0,1]=4 1638 B13R0.336 N#CCCCCSCCCCCC=O 62a_100000139337_100000211819 [1,0,0,0,0,0|2,0,1]=4 1639 B13R0.336 N#CCCCCSCCCCCC=O 62a_100011219923_100000139337 [1,0,0,0,0,0|2,0,1]=4 1640 B13R0.336 N#CCCCOCCCCCCCBr 7a_100000760002_100000687738 [1,0,0,0,0,0|2,0,1]=4 1641 B13R0.336 N#CCCOCCCCCCCCBr 7a_100009813846_100000184422 [1,0,0,0,0,0|2,0,1]=4 1642 B13R0.336 N#CCOCCCCCCCCCBr 7a_100009813782_100011215382 [1,0,0,0,0,0|2,0,1]=4 1643 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [1,0,0,0,0,0|2,0,0]=3 1644 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [1,0,0,0,0,0|2,0,1]=4 1645 B13R0.336 NCCCCCCCCOCCCO 34a_102515433106_100000230001 [1,0,0,0,0,0|2,0,1]=4 1646 B13R0.336 NCCCCCCCOCCCCO 34a_100011996573_100011216708 [1,0,0,0,0,0|2,0,1]=4 1647 B13R0.336 NCCCCCCOCCCCCO 34a_100000686447_100000746330 [1,0,0,0,0,0|2,0,1]=4 1648 B13R0.336 NCCCCCOCCCCCCO 34a_100000762737_100000766143 [1,0,0,0,0,0|2,0,1]=4 1649 B13R0.336 NCCCCOCCCCCCCO 34a_100000750430_100000760002 [1,0,0,0,0,0|2,0,1]=4 1650 B13R0.336 NCCCOCCCCCCCCO 34a_100000182051_100000033203 [1,0,0,0,0,0|2,0,1]=4 1651 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [1,0,0,0,0,0|2,0,1]=4 1652 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [1,0,0,0,0,0|2,0,0]=3 1653 B13R0.336 O=CCCCCCNCCOCCO 2230a_100000211614_100000139337 [1,0,0,0,0,0|3,0,0]=4 1654 B13R0.336 O=CCCCCCNCCSCCO 2230a_100011219999_100000139337 [1,0,0,0,0,0|3,0,0]=4 1655 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [1,0,0,0,0,0|1,0,0]=2 1656 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [1,0,0,0,0,0|1,1,0]=3 1657 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [1,0,0,0,0,0|1,1,0]=3 1658 B13R0.336 O=CCCCCCOCCOCCBr 7a_100000692535_100000139337 [1,0,0,0,0,0|2,0,0]=3 1659 B13R0.336 O=CCCCCCOCCOCCCl 7a_100011215305_100000139337 [1,0,0,0,0,0|2,1,0]=4 1660 B13R0.336 O=CCCCCCOCCOCCF 7a_200015357709_100000139337 [1,0,0,0,0,0|2,1,0]=4 1661 B13R0.336 O=CCCCCCOCCOCCI 7a_100012149058_100000139337 [1,0,0,0,0,0|2,1,0]=4 1662 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139335_100000139337 [1,0,0,0,0,0|2,0,1]=4 1663 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139337_100000139335 [1,0,0,0,0,0|2,0,1]=4 1664 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [1,0,0,0,0,0|1,1,0]=3 1665 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [1,0,0,0,0,0|1,1,0]=3 1666 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [1,0,0,0,0,0|2,0,0]=3 1667 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [1,0,0,0,0,0|2,0,0]=3 1668 B13R0.336 O=CCCCCCSCCOCCO 62a_100000139337_100011215305 [1,0,0,0,0,0|3,0,0]=4 1669 B13R0.336 O=CCCCCCSCCOCCO 62a_100011215305_100000139337 [1,0,0,0,0,0|3,0,0]=4 1670 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [1,0,0,0,0,0|2,0,0]=3 1671 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [1,0,0,0,0,0|1,0,0]=2 1672 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [1,0,0,0,0,0|1,1,0]=3 1673 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [1,0,0,0,0,0|1,1,0]=3 1674 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [1,0,0,0,0,0|1,1,0]=3 1675 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [1,0,0,0,0,0|1,1,0]=3 1676 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [1,0,0,0,0,0|2,0,0]=3 1677 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [1,0,0,0,0,0|2,0,0]=3 1678 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [1,0,0,0,0,0|2,0,0]=3 1679 B13R0.336 O=CCCCNCCCOCCCO 2230a_100011310245_200011292268 [1,0,0,0,0,0|3,0,0]=4 1680 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [1,0,0,0,0,0|1,0,0]=2 1681 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [1,0,0,0,0,0|2,0,0]=3 1682 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [1,0,0,0,0,0|2,0,0]=3 1683 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [1,0,0,0,0,0|2,0,0]=3 1684 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [1,0,0,0,0,0|2,0,0]=3 1685 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [1,0,0,0,0,0|1,0,0]=2 1686 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [1,0,0,0,0,0|1,0,0]=2 1687 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [1,0,0,0,0,0|1,1,0]=3 1688 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [1,0,0,0,0,0|1,1,0]=3 1689 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [1,0,0,0,0,0|2,0,0]=3 1690 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [1,0,0,0,0,0|2,0,0]=3 1691 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [1,0,0,0,0,0|1,1,1]=4 1692 B13R0.336 OCCCCCCCCCCSCF 62a_100009813290_100015361967 [1,0,0,0,0,0|1,1,1]=4 1693 B13R0.336 OCCCCCCCCCCSCF 62a_100015361967_200000033068 [1,0,0,0,0,0|1,1,1]=4 1694 B13R0.336 OCCCCCCCCCNCCF 2230a_100000078944_100011217306 [1,0,0,0,0,0|1,1,1]=4 1695 B13R0.336 OCCCCCCCCCNCCF 34a_100000078944_100011217306 [1,0,0,0,0,0|1,1,1]=4 1696 B13R0.336 OCCCCCCCCCNCCF 34a_100000724931_100009813782 [1,0,0,0,0,0|1,1,1]=4 1697 B13R0.336 OCCCCCCCCCNCCO 2230a_100000078944_100000211926 [1,0,0,0,0,0|2,0,1]=4 1698 B13R0.336 OCCCCCCCCCNCCO 2230a_100016997473_100009813782 [1,0,0,0,0,0|2,0,1]=4 1699 B13R0.336 OCCCCCCCCCNCCO 34a_100000078944_100000211926 [1,0,0,0,0,0|2,0,1]=4 1700 B13R0.336 OCCCCCCCCCNCCO 34a_100016990907_100009813782 [1,0,0,0,0,0|2,0,1]=4 1701 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [1,0,0,0,0,0|1,0,1]=3 1702 B13R0.336 OCCCCCCCCCSCCF 62a_100009813782_100011217306 [1,0,0,0,0,0|1,1,1]=4 1703 B13R0.336 OCCCCCCCCCSCCF 62a_100011217306_100009813782 [1,0,0,0,0,0|1,1,1]=4 1704 B13R0.336 OCCCCCCCCCSCCO 62a_100000211926_100009813782 [1,0,0,0,0,0|2,0,1]=4 1705 B13R0.336 OCCCCCCCCCSCCO 62a_100009813782_100000211926 [1,0,0,0,0,0|2,0,1]=4 1706 B13R0.336 OCCCCCCCCNCCCF 2230a_100015189416_100000033203 [1,0,0,0,0,0|1,1,1]=4 1707 B13R0.336 OCCCCCCCCNCCCF 2230a_102515433106_100011934791 [1,0,0,0,0,0|1,1,1]=4 1708 B13R0.336 OCCCCCCCCNCCCF 34a_100015189416_100000033203 [1,0,0,0,0,0|1,1,1]=4 1709 B13R0.336 OCCCCCCCCNCCCF 34a_102515433106_100011934791 [1,0,0,0,0,0|1,1,1]=4 1710 B13R0.336 OCCCCCCCCNCCCO 2230a_102515433106_100000230001 [1,0,0,0,0,0|2,0,1]=4 1711 B13R0.336 OCCCCCCCCNCCCO 34a_102515433106_100000230001 [1,0,0,0,0,0|2,0,1]=4 1712 B13R0.336 OCCCCCCCCOCCCBr 34a_100011217188_100000033203 [1,0,0,0,0,0|1,0,1]=3 1713 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [1,0,0,0,0,0|1,1,1]=4 1714 B13R0.336 OCCCCCCCCOCCCF 34a_100000759539_100000033203 [1,0,0,0,0,0|1,1,1]=4 1715 B13R0.336 OCCCCCCCCSCCCF 62a_100000033203_100011934791 [1,0,0,0,0,0|1,1,1]=4 1716 B13R0.336 OCCCCCCCCSCCCF 62a_100011934791_100000033203 [1,0,0,0,0,0|1,1,1]=4 1717 B13R0.336 OCCCCCCCCSCCCO 62a_100000033203_100011215043 [1,0,0,0,0,0|2,0,1]=4 1718 B13R0.336 OCCCCCCCCSCCCO 62a_100011215043_100000033203 [1,0,0,0,0,0|2,0,1]=4 1719 B13R0.336 OCCCCCCCNCCCCF 2230a_100011996573_100000729493 [1,0,0,0,0,0|1,1,1]=4 1720 B13R0.336 OCCCCCCCNCCCCF 34a_100011996573_100000729493 [1,0,0,0,0,0|1,1,1]=4 1721 B13R0.336 OCCCCCCCNCCCCO 2230a_100000750430_100000760002 [1,0,0,0,0,0|2,0,1]=4 1722 B13R0.336 OCCCCCCCNCCCCO 2230a_100011996573_100000210776 [1,0,0,0,0,0|2,0,1]=4 1723 B13R0.336 OCCCCCCCNCCCCO 34a_100000750430_100000760002 [1,0,0,0,0,0|2,0,1]=4 1724 B13R0.336 OCCCCCCCNCCCCO 34a_100011996573_100011216708 [1,0,0,0,0,0|2,0,1]=4 1725 B13R0.336 OCCCCCCCOCCCCBr 34a_100011216708_100000760002 [1,0,0,0,0,0|1,0,1]=3 1726 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [1,0,0,0,0,0|1,1,1]=4 1727 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [1,0,0,0,0,0|1,1,1]=4 1728 B13R0.336 OCCCCCCCOCCCCF 34a_100011995726_100000760002 [1,0,0,0,0,0|1,1,1]=4 1729 B13R0.336 OCCCCCCCOCCCCF 7a_100011995726_100000760002 [1,0,0,0,0,0|1,1,1]=4 1730 B13R0.336 OCCCCCCCOCCCCI 34a_200012148704_100000760002 [1,0,0,0,0,0|1,1,1]=4 1731 B13R0.336 OCCCCCCCSCCCCF 62a_100000729493_100000760002 [1,0,0,0,0,0|1,1,1]=4 1732 B13R0.336 OCCCCCCCSCCCCF 62a_100000760002_100000729493 [1,0,0,0,0,0|1,1,1]=4 1733 B13R0.336 OCCCCCCCSCCCCO 62a_100000210776_100000760002 [1,0,0,0,0,0|2,0,1]=4 1734 B13R0.336 OCCCCCCCSCCCCO 62a_100000760002_100000210776 [1,0,0,0,0,0|2,0,1]=4 1735 B13R0.336 OCCCCCCNCCCCCF 2230a_100000686447_100000729378 [1,0,0,0,0,0|1,1,1]=4 1736 B13R0.336 OCCCCCCNCCCCCF 34a_100000686447_100000729378 [1,0,0,0,0,0|1,1,1]=4 1737 B13R0.336 OCCCCCCNCCCCCO 2230a_100000686447_100000746330 [1,0,0,0,0,0|2,0,1]=4 1738 B13R0.336 OCCCCCCNCCCCCO 2230a_100000762737_100000766143 [1,0,0,0,0,0|2,0,1]=4 1739 B13R0.336 OCCCCCCNCCCCCO 34a_100000686447_100000746330 [1,0,0,0,0,0|2,0,1]=4 1740 B13R0.336 OCCCCCCNCCCCCO 34a_100000762737_100000766143 [1,0,0,0,0,0|2,0,1]=4 1741 B13R0.336 OCCCCCCOCCCCCBr 34a_100000746331_100000766143 [1,0,0,0,0,0|1,0,1]=3 1742 B13R0.336 OCCCCCCOCCCCCBr 7a_100000746331_100000766143 [1,0,0,0,0,0|1,0,1]=3 1743 B13R0.336 OCCCCCCOCCCCCCl 34a_100000746330_100000766143 [1,0,0,0,0,0|1,1,1]=4 1744 B13R0.336 OCCCCCCOCCCCCCl 7a_100000746330_100000766143 [1,0,0,0,0,0|1,1,1]=4 1745 B13R0.336 OCCCCCCOCCCCCI 34a_200012148887_100000766143 [1,0,0,0,0,0|1,1,1]=4 1746 B13R0.336 OCCCCCCOCCCCCI 7a_200012148887_100000766143 [1,0,0,0,0,0|1,1,1]=4 1747 B13R0.336 OCCCCCCOCCOCCBr 34a_100000692535_100000766143 [1,0,0,0,0,0|2,0,1]=4 1748 B13R0.336 OCCCCCCOCCOCCBr 7a_100000692535_100000766143 [1,0,0,0,0,0|2,0,1]=4 1749 B13R0.336 OCCCCCCSCCCCCF 62a_100000729378_100000766143 [1,0,0,0,0,0|1,1,1]=4 1750 B13R0.336 OCCCCCCSCCCCCF 62a_100000766143_100000729378 [1,0,0,0,0,0|1,1,1]=4 1751 B13R0.336 OCCCCCCSCCCCCO 62a_100000746330_100000766143 [1,0,0,0,0,0|2,0,1]=4 1752 B13R0.336 OCCCCCCSCCCCCO 62a_100000766143_100000746330 [1,0,0,0,0,0|2,0,1]=4 1753 B13R0.336 OCCCCCNCCCCCCF 2230a_100000762737_100015922095 [1,0,0,0,0,0|1,1,1]=4 1754 B13R0.336 OCCCCCNCCCCCCF 34a_100000762737_100015922095 [1,0,0,0,0,0|1,1,1]=4 1755 B13R0.336 OCCCCCOCCCCCCBr 34a_100011215345_100000746330 [1,0,0,0,0,0|1,0,1]=3 1756 B13R0.336 OCCCCCOCCCCCCBr 7a_100011215345_100000746330 [1,0,0,0,0,0|1,0,1]=3 1757 B13R0.336 OCCCCCOCCCCCCCl 34a_100000766143_100000746330 [1,0,0,0,0,0|1,1,1]=4 1758 B13R0.336 OCCCCCOCCCCCCCl 7a_100000766143_100000746330 [1,0,0,0,0,0|1,1,1]=4 1759 B13R0.336 OCCCCCOCCCCCCF 34a_100000732779_100000746330 [1,0,0,0,0,0|1,1,1]=4 1760 B13R0.336 OCCCCCOCCCCCCF 7a_100000732779_100000746330 [1,0,0,0,0,0|1,1,1]=4 1761 B13R0.336 OCCCCCSCCCCCCF 62a_100000746330_100015922095 [1,0,0,0,0,0|1,1,1]=4 1762 B13R0.336 OCCCCCSCCCCCCF 62a_100015922095_100000746330 [1,0,0,0,0,0|1,1,1]=4 1763 B13R0.336 OCCCCOCCCCCCCBr 34a_100000760002_100011216708 [1,0,0,0,0,0|1,0,1]=3 1764 B13R0.336 OCCCCOCCCCCCCBr 7a_100000760002_100000210776 [1,0,0,0,0,0|1,0,1]=3 1765 B13R0.336 OCCCOCCCCCCCCBr 34a_100009813846_100000230001 [1,0,0,0,0,0|1,0,1]=3 1766 B13R0.336 OCCCOCCCCCCCCBr 7a_100009813846_100011215043 [1,0,0,0,0,0|1,0,1]=3 1767 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [1,0,0,0,0,0|1,1,1]=4 1768 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [1,0,0,0,0,0|1,1,1]=4 1769 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [1,0,0,0,0,0|1,0,1]=3 1770 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [1,0,0,0,0,0|1,0,1]=3 1771 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [1,0,0,0,0,0|1,1,1]=4 1772 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [1,0,0,0,0,0|1,1,1]=4 1773 B13R0.336 OCCOCCOCCCCCCBr 34a_100011215345_100000692535 [1,0,0,0,0,0|2,0,1]=4 1774 B13R0.336 OCCOCCOCCCCCCBr 7a_100011215345_100011215305 [1,0,0,0,0,0|2,0,1]=4 1775 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [1,0,0,0,0,0|2,0,0]=3 1776 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [1,0,0,0,0,0|2,0,0]=3 1777 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [1,0,0,0,0,0|2,0,1]=4 1778 B15R0.69 C#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012276617 [0,1,0,0,0,0|2,0,1]=4 1779 B15R0.69 C=CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011933949 [0,1,0,0,0,0|2,0,1]=4 1780 B15R0.69 C=CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215473 [0,1,0,0,0,0|2,0,1]=4 1781 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100000210375_100000187820 [0,1,0,0,0,0|2,0,1]=4 1782 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210319 [0,1,0,0,0,0|2,0,1]=4 1783 B15R0.69 CCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210375_100020667443 [0,1,0,0,0,0|1,0,2]=4 1784 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000207566_100000747473 [0,1,0,0,0,0|3,0,0]=4 1785 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210320 [0,1,0,0,0,0|3,0,0]=4 1786 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 269982a_100000207566_100000187820 [0,1,0,0,0,0|3,0,0]=4 1787 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [0,1,0,0,0,0|2,0,0]=3 1788 B15R0.69 CCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000207566_100020667443 [0,1,0,0,0,0|2,0,1]=4 1789 B15R0.69 CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210759 [0,1,0,0,0,0|2,0,0]=3 1790 B15R0.69 CN(CCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813782 [0,1,0,0,0,0|3,0,0]=4 1791 B15R0.69 CN(CCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813782 [0,1,0,0,0,0|2,0,0]=3 1792 B15R0.69 COCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011998445 [0,1,0,0,0,0|3,0,0]=4 1793 B15R0.69 N#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009813337 [0,1,0,0,0,0|2,0,1]=4 1794 B15R0.69 NC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000187820 [0,1,0,0,0,0|1,1,1]=4 1795 B15R0.69 NC(=O)CC(=O)CCCCCCCCCO 1458a_100134613110_100009813782 [0,1,0,0,0,0|2,0,1]=4 1796 B15R0.69 O=C(O)CC(O)CNCCCCCCCO 269956a_100011218706_100000760002 [0,1,0,0,0,0|2,0,0]=3 1797 B15R0.69 O=C([O-])CC(=O)CCCCCCCCCF 1458a_200009909015_100020667443 [0,1,0,0,0,0|0,1,2]=4 1798 B15R0.81 C#CC(=O)CCCCCCCCCCC=C 1458a_100000211873_100011093070 [0,1,0,0,0,0|2,0,1]=4 1799 B15R0.81 C#CC(=O)CCCCCCCCCCCC 1458a_100000211873_100000759014 [0,1,0,0,0,0|2,0,0]=3 1800 B15R0.81 C#CC(=O)CCCCCCCCCCCO 1458a_100000211873_100009812471 [0,1,0,0,0,0|2,0,0]=3 1801 B15R0.81 C#CC(O)CCCCCOCCCCCBr 34a_100000746331_200010408556 [0,1,0,0,0,0|2,0,1]=4 1802 B15R0.81 C#CC(O)CCCCCOCCCCCBr 7a_100000746331_200010408556 [0,1,0,0,0,0|2,0,1]=4 1803 B15R0.81 C#CCCCCCCCCOCC(=O)OC 34a_100000065265_100000747449 [0,1,0,0,0,0|2,0,1]=4 1804 B15R0.81 C#CCCCCCCCCOCC(=O)OC 7a_100000065265_100000747449 [0,1,0,0,0,0|2,0,1]=4 1805 B15R0.81 C#CCCCCCCCOCCC(=O)OC 34a_100000054614_100000742370 [0,1,0,0,0,0|2,0,1]=4 1806 B15R0.81 C#CCCCCCCCOCCC(=O)OC 7a_100000054614_100000204255 [0,1,0,0,0,0|2,0,1]=4 1807 B15R0.81 C#CCCCCCCCSCCC(=O)OC 62a_100000204255_100153394163 [0,1,0,0,0,0|2,0,1]=4 1808 B15R0.81 C#CCCCCCCCSCCC(=O)OC 62a_100153394163_100000204255 [0,1,0,0,0,0|2,0,1]=4 1809 B15R0.81 C#CCCCCCCOCCCC(=O)OC 34a_100011217361_100000742333 [0,1,0,0,0,0|2,0,1]=4 1810 B15R0.81 C#CCCCCCCOCCCC(=O)OC 7a_100011217361_100011218270 [0,1,0,0,0,0|2,0,1]=4 1811 B15R0.81 C#CCCCCCCSCCCC(=O)OC 62a_100011218270_100012276617 [0,1,0,0,0,0|2,0,1]=4 1812 B15R0.81 C#CCCCCCCSCCCC(=O)OC 62a_100012276617_100011218270 [0,1,0,0,0,0|2,0,1]=4 1813 B15R0.81 C#CCCCCCOCCCCC(=O)OC 34a_100000059025_100012094781 [0,1,0,0,0,0|2,0,1]=4 1814 B15R0.81 C#CCCCCCOCCCCC(=O)OC 34a_100000766912_100000204269 [0,1,0,0,0,0|2,0,1]=4 1815 B15R0.81 C#CCCCCCOCCCCC(=O)OC 7a_100000059025_100012094781 [0,1,0,0,0,0|2,0,1]=4 1816 B15R0.81 C#CCCCCCOCCCCC(=O)OC 7a_100000766912_100000204269 [0,1,0,0,0,0|2,0,1]=4 1817 B15R0.81 C#CCCCCCSCCCCC(=O)OC 62a_100000204269_100012094781 [0,1,0,0,0,0|2,0,1]=4 1818 B15R0.81 C#CCCCCCSCCCCC(=O)OC 62a_100012094781_100000204269 [0,1,0,0,0,0|2,0,1]=4 1819 B15R0.81 C#CCCCCNCCCCCC(=O)OC 2230a_100000706060_100009816466 [0,1,0,0,0,0|2,0,1]=4 1820 B15R0.81 C#CCCCCNCCCCCC(=O)OC 34a_100000706060_100009816466 [0,1,0,0,0,0|2,0,1]=4 1821 B15R0.81 C#CCCCCOCCCCCC(=O)OC 34a_100000074720_100010269958 [0,1,0,0,0,0|2,0,1]=4 1822 B15R0.81 C#CCCCCOCCCCCC(=O)OC 34a_100000766709_100009816466 [0,1,0,0,0,0|2,0,1]=4 1823 B15R0.81 C#CCCCCOCCCCCC(=O)OC 7a_100000074720_100010269958 [0,1,0,0,0,0|2,0,1]=4 1824 B15R0.81 C#CCCCCOCCCCCC(=O)OC 7a_100000766709_100009816466 [0,1,0,0,0,0|2,0,1]=4 1825 B15R0.81 C#CCCCCSCCCCCC(=O)OC 62a_100009816466_100010269958 [0,1,0,0,0,0|2,0,1]=4 1826 B15R0.81 C#CCCCCSCCCCCC(=O)OC 62a_100010269958_100009816466 [0,1,0,0,0,0|2,0,1]=4 1827 B15R0.81 C#CCCCNCCCCCCC(=O)OC 34a_100000718082_100009815986 [0,1,0,0,0,0|2,0,1]=4 1828 B15R0.81 C#CCCCOCCCCCCC(=O)OC 34a_100000215630_100009815986 [0,1,0,0,0,0|2,0,1]=4 1829 B15R0.81 C#CCCCOCCCCCCC(=O)OC 34a_100009863599_100000695029 [0,1,0,0,0,0|2,0,1]=4 1830 B15R0.81 C#CCCCOCCCCCCC(=O)OC 7a_100000215630_100009815986 [0,1,0,0,0,0|2,0,1]=4 1831 B15R0.81 C#CCCCOCCCCCCC(=O)OC 7a_100009863599_100011215417 [0,1,0,0,0,0|2,0,1]=4 1832 B15R0.81 C#CCCCSCCCCCCC(=O)OC 62a_100009815986_100011215417 [0,1,0,0,0,0|2,0,1]=4 1833 B15R0.81 C#CCCCSCCCCCCC(=O)OC 62a_100011215417_100009815986 [0,1,0,0,0,0|2,0,1]=4 1834 B15R0.81 C#CCCNCCCCCCCC(=O)OC 34a_100000755551_100010004213 [0,1,0,0,0,0|2,0,1]=4 1835 B15R0.81 C#CCCOCCCCCCCC(=O)OC 34a_100011022521_100000688953 [0,1,0,0,0,0|2,0,1]=4 1836 B15R0.81 C#CCCOCCCCCCCC(=O)OC 34a_100011215631_100010004213 [0,1,0,0,0,0|2,0,1]=4 1837 B15R0.81 C#CCCOCCCCCCCC(=O)OC 7a_100011022521_100000688953 [0,1,0,0,0,0|2,0,1]=4 1838 B15R0.81 C#CCCSCCCCCCCC(=O)OC 62a_100000688953_100010004213 [0,1,0,0,0,0|2,0,1]=4 1839 B15R0.81 C#CCCSCCCCCCCC(=O)OC 62a_100010004213_100000688953 [0,1,0,0,0,0|2,0,1]=4 1840 B15R0.81 C#CCNCCCCCCCCC(=O)OC 34a_100000212058_100010282707 [0,1,0,0,0,0|2,0,1]=4 1841 B15R0.81 C#CCOCCCCCCCCC(=O)OC 34a_100000035544_100000184674 [0,1,0,0,0,0|2,0,1]=4 1842 B15R0.81 C#CCOCCCCCCCCC(=O)OC 34a_100000210247_100010282707 [0,1,0,0,0,0|2,0,1]=4 1843 B15R0.81 C#CCOCCCCCCCCC(=O)OC 7a_100000035544_100000038162 [0,1,0,0,0,0|2,0,1]=4 1844 B15R0.81 C#CCSCCCCCCCCC(=O)OC 62a_100000038162_100010282707 [0,1,0,0,0,0|2,0,1]=4 1845 B15R0.81 C=C(C#N)COCCCCCCCCCBr 34a_100009813782_100000694840 [0,1,0,0,0,0|3,0,0]=4 1846 B15R0.81 C=CC(=O)CCCCCCCCCCCO 1458a_100000185746_100009812471 [0,1,0,0,0,0|2,0,0]=3 1847 B15R0.81 C=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000185746 [0,1,0,0,0,0|3,0,0]=4 1848 B15R0.81 C=CC(=O)NCCCCCCCCCCC 240690a_200011215754_200121576911 [0,1,0,0,0,0|3,0,0]=4 1849 B15R0.81 C=CC(=O)NCCCCCCCCCCO 240690a_100000066964_200121576911 [0,1,0,0,0,0|3,0,0]=4 1850 B15R0.81 C=CC(=O)OCCCCCCOCCCBr 34a_100011217188_100009894100 [0,1,0,0,0,0|3,0,0]=4 1851 B15R0.81 C=CC(=O)OCCOCCCCCCCBr 34a_100000760002_100009813456 [0,1,0,0,0,0|3,0,0]=4 1852 B15R0.81 C=CC(=O)OCCOCCCCCCCBr 7a_100000760002_100009813456 [0,1,0,0,0,0|3,0,0]=4 1853 B15R0.81 C=CC(O)COCCCCCCCCCBr 34a_100009813782_100000730141 [0,1,0,0,0,0|2,0,1]=4 1854 B15R0.81 C=CC(O)COCCCCCCCCCBr 7a_100009813782_100000730141 [0,1,0,0,0,0|2,0,1]=4 1855 B15R0.81 C=CCCCCCCCCCCC(=O)C=C 1458a_100000185746_100011093070 [0,1,0,0,0,0|2,0,1]=4 1856 B15R0.81 C=CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011093070 [0,1,0,0,0,0|1,0,1]=3 1857 B15R0.81 C=CCCCCCCCCCNC(=O)CO 240690a_100000081888_100000210174 [0,1,0,0,0,0|2,0,1]=4 1858 B15R0.81 C=CCCCCCCCCCNC(=O)CO 527a_100000081888_100000210174 [0,1,0,0,0,0|2,0,1]=4 1859 B15R0.81 C=CCCCCCCCCOCC(=O)OC 34a_100011215194_100000747449 [0,1,0,0,0,0|2,0,1]=4 1860 B15R0.81 C=CCCCCCCCCOCC(=O)OC 7a_100011215194_100000747449 [0,1,0,0,0,0|2,0,1]=4 1861 B15R0.81 C=CCCCCCCCCSCC(=O)OC 62a_100000747449_100011933949 [0,1,0,0,0,0|2,0,1]=4 1862 B15R0.81 C=CCCCCCCCCSCC(=O)OC 62a_100011933949_100000747449 [0,1,0,0,0,0|2,0,1]=4 1863 B15R0.81 C=CCCCCCCCOCCC(=O)OC 34a_100000730831_100000742370 [0,1,0,0,0,0|2,0,1]=4 1864 B15R0.81 C=CCCCCCCCOCCC(=O)OC 7a_100000730831_100000204255 [0,1,0,0,0,0|2,0,1]=4 1865 B15R0.81 C=CCCCCCCCSCCC(=O)OC 62a_100000204255_100012355270 [0,1,0,0,0,0|2,0,1]=4 1866 B15R0.81 C=CCCCCCCCSCCC(=O)OC 62a_100012355270_100000204255 [0,1,0,0,0,0|2,0,1]=4 1867 B15R0.81 C=CCCCCCCOCCCC(=O)OC 34a_200011216477_100000742333 [0,1,0,0,0,0|2,0,1]=4 1868 B15R0.81 C=CCCCCCCOCCCC(=O)OC 7a_200011216477_100011218270 [0,1,0,0,0,0|2,0,1]=4 1869 B15R0.81 C=CCCCCCCSCCCC(=O)OC 62a_100011215473_100011218270 [0,1,0,0,0,0|2,0,1]=4 1870 B15R0.81 C=CCCCCCCSCCCC(=O)OC 62a_100011218270_100011215473 [0,1,0,0,0,0|2,0,1]=4 1871 B15R0.81 C=CCCCCCOCCCCC(=O)OC 34a_100000059025_100000700193 [0,1,0,0,0,0|2,0,1]=4 1872 B15R0.81 C=CCCCCCOCCCCC(=O)OC 34a_100011216702_100000204269 [0,1,0,0,0,0|2,0,1]=4 1873 B15R0.81 C=CCCCCCOCCCCC(=O)OC 7a_100000059025_100000700193 [0,1,0,0,0,0|2,0,1]=4 1874 B15R0.81 C=CCCCCCOCCCCC(=O)OC 7a_100011216702_100000204269 [0,1,0,0,0,0|2,0,1]=4 1875 B15R0.81 C=CCCCCCSCCCCC(=O)OC 62a_100000204269_100000700193 [0,1,0,0,0,0|2,0,1]=4 1876 B15R0.81 C=CCCCCCSCCCCC(=O)OC 62a_100000700193_100000204269 [0,1,0,0,0,0|2,0,1]=4 1877 B15R0.81 C=CCCCCNCCCCCC(=O)OC 2230a_100000703577_100009816466 [0,1,0,0,0,0|2,0,1]=4 1878 B15R0.81 C=CCCCCNCCCCCC(=O)OC 34a_100000703577_100009816466 [0,1,0,0,0,0|2,0,1]=4 1879 B15R0.81 C=CCCCCOCCCCCC(=O)OC 34a_100000074720_100011215482 [0,1,0,0,0,0|2,0,1]=4 1880 B15R0.81 C=CCCCCOCCCCCC(=O)OC 34a_100000766645_100009816466 [0,1,0,0,0,0|2,0,1]=4 1881 B15R0.81 C=CCCCCOCCCCCC(=O)OC 7a_100000074720_100011215482 [0,1,0,0,0,0|2,0,1]=4 1882 B15R0.81 C=CCCCCOCCCCCC(=O)OC 7a_100000766645_100009816466 [0,1,0,0,0,0|2,0,1]=4 1883 B15R0.81 C=CCCCCSCCCCCC(=O)OC 62a_100009816466_100011215482 [0,1,0,0,0,0|2,0,1]=4 1884 B15R0.81 C=CCCCCSCCCCCC(=O)OC 62a_100011215482_100009816466 [0,1,0,0,0,0|2,0,1]=4 1885 B15R0.81 C=CCCCNCCCCCCC(=O)OC 2230a_100000700776_100009815986 [0,1,0,0,0,0|2,0,1]=4 1886 B15R0.81 C=CCCCNCCCCCCC(=O)OC 34a_100000700776_100009815986 [0,1,0,0,0,0|2,0,1]=4 1887 B15R0.81 C=CCCCOCCCCCCC(=O)OC 34a_100000758997_100009815986 [0,1,0,0,0,0|2,0,1]=4 1888 B15R0.81 C=CCCCOCCCCCCC(=O)OC 34a_100009863599_100000757094 [0,1,0,0,0,0|2,0,1]=4 1889 B15R0.81 C=CCCCOCCCCCCC(=O)OC 7a_100000758997_100009815986 [0,1,0,0,0,0|2,0,1]=4 1890 B15R0.81 C=CCCCOCCCCCCC(=O)OC 7a_100009863599_100000757094 [0,1,0,0,0,0|2,0,1]=4 1891 B15R0.81 C=CCCCSCCCCCCC(=O)OC 62a_100009815986_100000757094 [0,1,0,0,0,0|2,0,1]=4 1892 B15R0.81 C=CCCCSCCCCCCC(=O)OC 62a_100011713584_100009815986 [0,1,0,0,0,0|2,0,1]=4 1893 B15R0.81 C=CCCNCCCCCCCC(=O)OC 2230a_100015191253_100010004213 [0,1,0,0,0,0|2,0,1]=4 1894 B15R0.81 C=CCCOCCCCCCCC(=O)OC 34a_100011022521_100000754431 [0,1,0,0,0,0|2,0,1]=4 1895 B15R0.81 C=CCCOCCCCCCCC(=O)OC 34a_100011205117_100010004213 [0,1,0,0,0,0|2,0,1]=4 1896 B15R0.81 C=CCCOCCCCCCCC(=O)OC 7a_100011022521_100000754431 [0,1,0,0,0,0|2,0,1]=4 1897 B15R0.81 C=CCCSCCCCCCCC(=O)OC 62a_100000754431_100010004213 [0,1,0,0,0,0|2,0,1]=4 1898 B15R0.81 C=CCCSCCCCCCCC(=O)OC 62a_100010004213_100000754431 [0,1,0,0,0,0|2,0,1]=4 1899 B15R0.81 C=CCNCCCCCCCCC(=O)OC 2230a_100020586998_100010282707 [0,1,0,0,0,0|2,0,1]=4 1900 B15R0.81 C=CCOCCCCCCCCC(=O)OC 34a_100000035544_100015514636 [0,1,0,0,0,0|2,0,1]=4 1901 B15R0.81 C=CCOCCCCCCCCC(=O)OC 34a_200000210373_100010282707 [0,1,0,0,0,0|2,0,1]=4 1902 B15R0.81 C=CCOCCCCCCCCC(=O)OC 7a_100000035544_100015514636 [0,1,0,0,0,0|2,0,1]=4 1903 B15R0.81 C=CCSCCCCCCCCC(=O)OC 62a_100000210623_100010282707 [0,1,0,0,0,0|2,0,1]=4 1904 B15R0.81 C=CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210623 [0,1,0,0,0,0|2,0,1]=4 1905 B15R0.81 CC(CO)OCCCCCCCCCCBr 34a_100009813290_100012180447 [0,1,0,0,0,0|2,0,1]=4 1906 B15R0.81 CC(CO)OCCCCCCCCCCBr 7a_100009813290_100012180447 [0,1,0,0,0,0|2,0,1]=4 1907 B15R0.81 CCC(=O)CCCCCCCCCCCO 1458a_100000210414_100009812471 [0,1,0,0,0,0|2,0,0]=3 1908 B15R0.81 CCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747405 [0,1,0,0,0,0|2,0,0]=3 1909 B15R0.81 CCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747405 [0,1,0,0,0,0|2,1,0]=4 1910 B15R0.81 CCC(=O)COCCCCCCCCCO 34a_100000725409_100009813782 [0,1,0,0,0,0|3,0,0]=4 1911 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100000747405_100009813782 [0,1,0,0,0,0|3,0,0]=4 1912 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747405 [0,1,0,0,0,0|3,0,0]=4 1913 B15R0.81 CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210414 [0,1,0,0,0,0|3,0,0]=4 1914 B15R0.81 CCC(O)COCCCCCCCCCBr 34a_100009813782_100011218378 [0,1,0,0,0,0|2,0,1]=4 1915 B15R0.81 CCC(O)COCCCCCCCCCBr 7a_100009813782_100011218378 [0,1,0,0,0,0|2,0,1]=4 1916 B15R0.81 CCCCC#CCCCCCCC(=O)CO 1458a_100000210174_200000043322 [0,1,0,0,0,0|1,0,2]=4 1917 B15R0.81 CCCCCCCCCCCCC(=O)CF 1458a_100011215791_100015361967 [0,1,0,0,0,0|2,0,0]=3 1918 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [0,1,0,0,0,0|1,0,0]=2 1919 B15R0.81 CCCCCCCCCCCCC(=O)NC 11a_106832991635_100011215791 [0,1,0,0,0,0|2,0,0]=3 1920 B15R0.81 CCCCCCCCCCCCC(=O)NC 1626a_100102657272_100011215791 [0,1,0,0,0,0|2,0,0]=3 1921 B15R0.81 CCCCCCCCCCCCC(=O)NC 240690a_100102657272_100011215791 [0,1,0,0,0,0|2,0,0]=3 1922 B15R0.81 CCCCCCCCCCCNC(=O)CC 11a_200011215754_100000210414 [0,1,0,0,0,0|3,0,0]=4 1923 B15R0.81 CCCCCCCCCCCNC(=O)CC 1626a_200011215754_100000210414 [0,1,0,0,0,0|3,0,0]=4 1924 B15R0.81 CCCCCCCCCCCNC(=O)CC 240690a_200011215754_100000210414 [0,1,0,0,0,0|3,0,0]=4 1925 B15R0.81 CCCCCCCCCCCNC(=O)CC 527a_200011215754_100000210414 [0,1,0,0,0,0|3,0,0]=4 1926 B15R0.81 CCCCCCCCCCCNC(=O)CO 240690a_200011215754_100000210174 [0,1,0,0,0,0|2,0,0]=3 1927 B15R0.81 CCCCCCCCCCCNC(=O)CO 527a_200011215754_100000210174 [0,1,0,0,0,0|2,0,0]=3 1928 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_100102657272_200011215754 [0,1,0,0,0,0|3,0,0]=4 1929 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_200011215754_106832991635 [0,1,0,0,0,0|3,0,0]=4 1930 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_100102657272_200011215754 [0,1,0,0,0,0|3,0,0]=4 1931 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_200011215754_100102657272 [0,1,0,0,0,0|3,0,0]=4 1932 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_106832991638_200011215754 [0,1,0,0,0,0|3,0,0]=4 1933 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_200011215754_100102657272 [0,1,0,0,0,0|3,0,0]=4 1934 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000684558_100000183359 [0,1,0,0,0,0|3,0,0]=4 1935 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210320 [0,1,0,0,0,0|3,0,0]=4 1936 B15R0.81 CCCCCCCCCCNCC(=O)NC 34a_100000684558_100000183359 [0,1,0,0,0,0|3,0,0]=4 1937 B15R0.81 CCCCCCCCCCNCC(=O)OC 2230a_100000684558_100000747449 [0,1,0,0,0,0|2,0,0]=3 1938 B15R0.81 CCCCCCCCCCNCC(=O)OC 34a_100000684558_100000747449 [0,1,0,0,0,0|2,0,0]=3 1939 B15R0.81 CCCCCCCCCCOCC(=O)CC 34a_100000725409_100000210320 [0,1,0,0,0,0|3,0,0]=4 1940 B15R0.81 CCCCCCCCCCOCC(=O)CC 7a_100000210711_100000747405 [0,1,0,0,0,0|3,0,0]=4 1941 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000210711_100000183359 [0,1,0,0,0,0|3,0,0]=4 1942 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210320 [0,1,0,0,0,0|3,0,0]=4 1943 B15R0.81 CCCCCCCCCCOCC(=O)NC 7a_100000210711_100000183359 [0,1,0,0,0,0|3,0,0]=4 1944 B15R0.81 CCCCCCCCCCOCC(=O)OC 34a_100000210711_100000747449 [0,1,0,0,0,0|2,0,0]=3 1945 B15R0.81 CCCCCCCCCCOCC(=O)OC 7a_100000210711_100000747449 [0,1,0,0,0,0|2,0,0]=3 1946 B15R0.81 CCCCCCCCCCSCC(=O)CC 62a_100000747405_100000210320 [0,1,0,0,0,0|3,0,0]=4 1947 B15R0.81 CCCCCCCCCCSCC(=O)NC 62a_100000183359_100000210320 [0,1,0,0,0,0|3,0,0]=4 1948 B15R0.81 CCCCCCCCCCSCC(=O)OC 62a_100000747449_100000210320 [0,1,0,0,0,0|2,0,0]=3 1949 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000212291_100000737683 [0,1,0,0,0,0|3,0,0]=4 1950 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011214924 [0,1,0,0,0,0|3,0,0]=4 1951 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000212291_100012179268 [0,1,0,0,0,0|3,0,0]=4 1952 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000738227_100011214924 [0,1,0,0,0,0|3,0,0]=4 1953 B15R0.81 CCCCCCCCCNCCC(=O)OC 2230a_100000212291_100000204255 [0,1,0,0,0,0|2,0,0]=3 1954 B15R0.81 CCCCCCCCCNCCC(=O)OC 34a_100000212291_100000742370 [0,1,0,0,0,0|2,0,0]=3 1955 B15R0.81 CCCCCCCCCOCCC(=NO)N 34a_100000749954_100011214924 [0,1,0,0,0,0|3,0,0]=4 1956 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000210712_100012179268 [0,1,0,0,0,0|3,0,0]=4 1957 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000754576_100011214924 [0,1,0,0,0,0|3,0,0]=4 1958 B15R0.81 CCCCCCCCCOCCC(=O)NC 7a_100000210712_100000737683 [0,1,0,0,0,0|3,0,0]=4 1959 B15R0.81 CCCCCCCCCOCCC(=O)OC 34a_100000210712_100000742370 [0,1,0,0,0,0|2,0,0]=3 1960 B15R0.81 CCCCCCCCCOCCC(=O)OC 7a_100000210712_100000204255 [0,1,0,0,0,0|2,0,0]=3 1961 B15R0.81 CCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210670 [0,1,0,0,0,0|3,0,0]=4 1962 B15R0.81 CCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210670 [0,1,0,0,0,0|2,0,0]=3 1963 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000229939_100000741757 [0,1,0,0,0,0|3,0,0]=4 1964 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210759 [0,1,0,0,0,0|3,0,0]=4 1965 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000229939_100000741757 [0,1,0,0,0,0|3,0,0]=4 1966 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210759 [0,1,0,0,0,0|3,0,0]=4 1967 B15R0.81 CCCCCCCCNCCCC(=O)OC 2230a_100000229939_100011218270 [0,1,0,0,0,0|2,0,0]=3 1968 B15R0.81 CCCCCCCCNCCCC(=O)OC 34a_100000229939_100000742333 [0,1,0,0,0,0|2,0,0]=3 1969 B15R0.81 CCCCCCCCOCCCC(=O)NC 34a_100000210232_100000741757 [0,1,0,0,0,0|3,0,0]=4 1970 B15R0.81 CCCCCCCCOCCCC(=O)NC 7a_100000210232_100000741757 [0,1,0,0,0,0|3,0,0]=4 1971 B15R0.81 CCCCCCCCOCCCC(=O)NN 34a_100000211488_100000210759 [0,1,0,0,0,0|3,0,0]=4 1972 B15R0.81 CCCCCCCCOCCCC(=O)OC 34a_100000210232_100000742333 [0,1,0,0,0,0|2,0,0]=3 1973 B15R0.81 CCCCCCCCOCCCC(=O)OC 7a_100000210232_100011218270 [0,1,0,0,0,0|2,0,0]=3 1974 B15R0.81 CCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210759 [0,1,0,0,0,0|3,0,0]=4 1975 B15R0.81 CCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210759 [0,1,0,0,0,0|3,0,0]=4 1976 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000210759_100000741757 [0,1,0,0,0,0|3,0,0]=4 1977 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210317 [0,1,0,0,0,0|3,0,0]=4 1978 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100000210759_100011218270 [0,1,0,0,0,0|2,0,0]=3 1979 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210317 [0,1,0,0,0,0|2,0,0]=3 1980 B15R0.81 CCCCCCCNCCCCC(=O)OC 2230a_100000229938_100000204269 [0,1,0,0,0,0|2,0,0]=3 1981 B15R0.81 CCCCCCCNCCOCC(=O)OC 2230a_100000229938_100000090808 [0,1,0,0,0,0|3,0,0]=4 1982 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210614 [0,1,0,0,0,0|2,0,0]=3 1983 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000210272_100000204269 [0,1,0,0,0,0|2,0,0]=3 1984 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210614 [0,1,0,0,0,0|2,0,0]=3 1985 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000210272_100000204269 [0,1,0,0,0,0|2,0,0]=3 1986 B15R0.81 CCCCCCCOCCOCC(=O)OC 34a_100000210272_100000090808 [0,1,0,0,0,0|3,0,0]=4 1987 B15R0.81 CCCCCCCOCCOCC(=O)OC 7a_100000210272_100000090808 [0,1,0,0,0,0|3,0,0]=4 1988 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210316 [0,1,0,0,0,0|2,0,0]=3 1989 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000210614_100000204269 [0,1,0,0,0,0|2,0,0]=3 1990 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210316 [0,1,0,0,0,0|3,0,0]=4 1991 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000210614_100000090808 [0,1,0,0,0,0|3,0,0]=4 1992 B15R0.81 CCCCCCNCCCCCC(=O)OC 2230a_100000210581_100009816466 [0,1,0,0,0,0|2,0,0]=3 1993 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210314 [0,1,0,0,0,0|2,0,0]=3 1994 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000210259_100009816466 [0,1,0,0,0,0|2,0,0]=3 1995 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210314 [0,1,0,0,0,0|2,0,0]=3 1996 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000210259_100009816466 [0,1,0,0,0,0|2,0,0]=3 1997 B15R0.81 CCCCCCOCCOCCC(=O)OC 34a_100000691444_100000742370 [0,1,0,0,0,0|3,0,0]=4 1998 B15R0.81 CCCCCCOCCOCCC(=O)OC 7a_100000691444_100000204255 [0,1,0,0,0,0|3,0,0]=4 1999 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100000210314_100009816466 [0,1,0,0,0,0|2,0,0]=3 2000 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210757 [0,1,0,0,0,0|2,0,0]=3 2001 B15R0.81 CCCCCNCCCCCCC(=O)OC 2230a_100000209983_100009815986 [0,1,0,0,0,0|2,0,0]=3 2002 B15R0.81 CCCCCNCCOCCCC(=O)OC 34a_100000224656_100000742333 [0,1,0,0,0,0|3,0,0]=4 2003 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100000210253_100009815986 [0,1,0,0,0,0|2,0,0]=3 2004 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100009863599_100000718602 [0,1,0,0,0,0|2,0,0]=3 2005 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100000210253_100009815986 [0,1,0,0,0,0|2,0,0]=3 2006 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210326 [0,1,0,0,0,0|2,0,0]=3 2007 B15R0.81 CCCCCOCCOCCCC(=O)OC 34a_100011215259_100000742333 [0,1,0,0,0,0|3,0,0]=4 2008 B15R0.81 CCCCCOCCOCCCC(=O)OC 7a_100011215259_100011218270 [0,1,0,0,0,0|3,0,0]=4 2009 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100000210326_100009815986 [0,1,0,0,0,0|2,0,0]=3 2010 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210326 [0,1,0,0,0,0|2,0,0]=3 2011 B15R0.81 CCCCNCCCCCCCC(=O)OC 2230a_100000102301_100010004213 [0,1,0,0,0,0|2,0,0]=3 2012 B15R0.81 CCCCNCCCCCCCC(=O)OC 7a_106832991798_100010004213 [0,1,0,0,0,0|2,0,0]=3 2013 B15R0.81 CCCCNCCCCOCCC(=O)OC 34a_200011216965_100000742370 [0,1,0,0,0,0|3,0,0]=4 2014 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100000210227_100010004213 [0,1,0,0,0,0|2,0,0]=3 2015 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210210 [0,1,0,0,0,0|2,0,0]=3 2016 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100000210227_100010004213 [0,1,0,0,0,0|2,0,0]=3 2017 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210211 [0,1,0,0,0,0|2,0,0]=3 2018 B15R0.81 CCCCOCCCCOCCC(=O)OC 34a_200000760531_100000742370 [0,1,0,0,0,0|3,0,0]=4 2019 B15R0.81 CCCCOCCCCOCCC(=O)OC 7a_200000760531_100000204255 [0,1,0,0,0,0|3,0,0]=4 2020 B15R0.81 CCCCOCCCNCCCC(=O)OC 2230a_200000211371_100011218270 [0,1,0,0,0,0|3,0,0]=4 2021 B15R0.81 CCCCOCCCNCCCC(=O)OC 34a_200000211371_100000742333 [0,1,0,0,0,0|3,0,0]=4 2022 B15R0.81 CCCCOCCCOCCCC(=O)OC 34a_200011215613_100000742333 [0,1,0,0,0,0|3,0,0]=4 2023 B15R0.81 CCCCOCCCOCCCC(=O)OC 7a_200011215613_100011218270 [0,1,0,0,0,0|3,0,0]=4 2024 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000059025_100000743108 [0,1,0,0,0,0|3,0,0]=4 2025 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000210238_100000204269 [0,1,0,0,0,0|3,0,0]=4 2026 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000059025_100000743108 [0,1,0,0,0,0|3,0,0]=4 2027 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000210238_100000204269 [0,1,0,0,0,0|3,0,0]=4 2028 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000204269_100000743108 [0,1,0,0,0,0|3,0,0]=4 2029 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000743108_100000204269 [0,1,0,0,0,0|3,0,0]=4 2030 B15R0.81 CCCCOCOCCCCCC(=O)OC 34a_100000074720_100011995733 [0,1,0,0,0,0|3,0,0]=4 2031 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100009816466_100011995733 [0,1,0,0,0,0|3,0,0]=4 2032 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100011995733_100009816466 [0,1,0,0,0,0|3,0,0]=4 2033 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100000210211_100010004213 [0,1,0,0,0,0|2,0,0]=3 2034 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210210 [0,1,0,0,0,0|2,0,0]=3 2035 B15R0.81 CCCCSCCNCCCCC(=O)OC 2230a_100025743550_100000204269 [0,1,0,0,0,0|3,0,0]=4 2036 B15R0.81 CCCCSCCOCCCCC(=O)OC 34a_200000230436_100000204269 [0,1,0,0,0,0|3,0,0]=4 2037 B15R0.81 CCCCSCCOCCCCC(=O)OC 7a_200000230436_100000204269 [0,1,0,0,0,0|3,0,0]=4 2038 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210303 [0,1,0,0,0,0|2,0,0]=3 2039 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000210258_100010282707 [0,1,0,0,0,0|2,0,0]=3 2040 B15R0.81 CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210303 [0,1,0,0,0,0|2,0,0]=3 2041 B15R0.81 CCCOCCCNCCCCC(=O)OC 2230a_100011217757_100000204269 [0,1,0,0,0,0|3,0,0]=4 2042 B15R0.81 CCCOCCCNCCCCC(=O)OC 34a_100011217757_100000204269 [0,1,0,0,0,0|3,0,0]=4 2043 B15R0.81 CCCOCCNCCCCCC(=O)OC 2230a_100161115042_100009816466 [0,1,0,0,0,0|3,0,0]=4 2044 B15R0.81 CCCOCCNCCCCCC(=O)OC 34a_100161115042_100009816466 [0,1,0,0,0,0|3,0,0]=4 2045 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000074720_100011215938 [0,1,0,0,0,0|3,0,0]=4 2046 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000752267_100009816466 [0,1,0,0,0,0|3,0,0]=4 2047 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000074720_100011215938 [0,1,0,0,0,0|3,0,0]=4 2048 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000752267_100009816466 [0,1,0,0,0,0|3,0,0]=4 2049 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100009816466_100011215938 [0,1,0,0,0,0|3,0,0]=4 2050 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100011215938_100009816466 [0,1,0,0,0,0|3,0,0]=4 2051 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100000210303_100010282707 [0,1,0,0,0,0|2,0,0]=3 2052 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210303 [0,1,0,0,0,0|2,0,0]=3 2053 B15R0.81 CCCSCCNCCCCCC(=O)OC 2230a_100020603323_100009816466 [0,1,0,0,0,0|3,0,0]=4 2054 B15R0.81 CCCSCCOCCCCCC(=O)OC 34a_200000230433_100009816466 [0,1,0,0,0,0|3,0,0]=4 2055 B15R0.81 CCCSCCOCCCCCC(=O)OC 7a_200000230433_100009816466 [0,1,0,0,0,0|3,0,0]=4 2056 B15R0.81 CCNCCCCCCCCCC(=O)OC 2230a_100015525214_100009813843 [0,1,0,0,0,0|2,0,0]=3 2057 B15R0.81 CCOCCCCCCCCCC(=O)OC 34a_100121572206_100009813843 [0,1,0,0,0,0|2,0,0]=3 2058 B15R0.81 CCOCCCNCCCCCC(=O)OC 2230a_100000210961_100009816466 [0,1,0,0,0,0|3,0,0]=4 2059 B15R0.81 CCOCCCNCCCCCC(=O)OC 34a_100000210961_100009816466 [0,1,0,0,0,0|3,0,0]=4 2060 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000074720_100012232248 [0,1,0,0,0,0|3,0,0]=4 2061 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000757476_100009816466 [0,1,0,0,0,0|3,0,0]=4 2062 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000074720_100012232248 [0,1,0,0,0,0|3,0,0]=4 2063 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000757476_100009816466 [0,1,0,0,0,0|3,0,0]=4 2064 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100009816466_100012232248 [0,1,0,0,0,0|3,0,0]=4 2065 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100012232248_100009816466 [0,1,0,0,0,0|3,0,0]=4 2066 B15R0.81 CCOCCNCCCCCCC(=O)OC 2230a_102516460346_100009815986 [0,1,0,0,0,0|3,0,0]=4 2067 B15R0.81 CCOCCNCCCCCCC(=O)OC 34a_102516460346_100009815986 [0,1,0,0,0,0|3,0,0]=4 2068 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100000210136_100009815986 [0,1,0,0,0,0|3,0,0]=4 2069 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100009863599_100000210147 [0,1,0,0,0,0|3,0,0]=4 2070 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100000210136_100009815986 [0,1,0,0,0,0|3,0,0]=4 2071 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215890 [0,1,0,0,0,0|3,0,0]=4 2072 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100000210147_100009815986 [0,1,0,0,0,0|3,0,0]=4 2073 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215890 [0,1,0,0,0,0|3,0,0]=4 2074 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100000739092_100010004213 [0,1,0,0,0,0|3,0,0]=4 2075 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100010004213_100000739092 [0,1,0,0,0,0|3,0,0]=4 2076 B15R0.81 CCSCCCCCCCCCC(=O)OC 62a_100000210202_100009813843 [0,1,0,0,0,0|2,0,0]=3 2077 B15R0.81 CCSCCCOCCCCCC(=O)OC 34a_100011216438_100009816466 [0,1,0,0,0,0|3,0,0]=4 2078 B15R0.81 CCSCCCOCCCCCC(=O)OC 7a_100011216438_100009816466 [0,1,0,0,0,0|3,0,0]=4 2079 B15R0.81 CCSCCNCCCCCCC(=O)OC 2230a_100000106463_100009815986 [0,1,0,0,0,0|3,0,0]=4 2080 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100000212035_100009815986 [0,1,0,0,0,0|3,0,0]=4 2081 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100009863599_100000757381 [0,1,0,0,0,0|3,0,0]=4 2082 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100000212035_100009815986 [0,1,0,0,0,0|3,0,0]=4 2083 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100009863599_100000757381 [0,1,0,0,0,0|3,0,0]=4 2084 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100000757381_100009815986 [0,1,0,0,0,0|3,0,0]=4 2085 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100009815986_100000757381 [0,1,0,0,0,0|3,0,0]=4 2086 B15R0.81 CNC(=O)CCCCCCCCCCCO 240690a_100102657272_100000037981 [0,1,0,0,0,0|2,0,0]=3 2087 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100000740002_100000760002 [0,1,0,0,0,0|3,0,0]=4 2088 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100011996573_100000741757 [0,1,0,0,0,0|3,0,0]=4 2089 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100000740002_100000760002 [0,1,0,0,0,0|3,0,0]=4 2090 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100011996573_100000741757 [0,1,0,0,0,0|3,0,0]=4 2091 B15R0.81 CNC(=O)CCCOCCCCCCCBr 34a_100000760002_100000741757 [0,1,0,0,0,0|2,0,0]=3 2092 B15R0.81 CNC(=O)CCCOCCCCCCCBr 7a_100000760002_100000741757 [0,1,0,0,0,0|2,0,0]=3 2093 B15R0.81 CNC(=O)CCCOCCCCCCCN 34a_100011996573_100000741757 [0,1,0,0,0,0|3,0,0]=4 2094 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000741757_100000760002 [0,1,0,0,0,0|3,0,0]=4 2095 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000760002_100000741757 [0,1,0,0,0,0|3,0,0]=4 2096 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_100000738227_100000033203 [0,1,0,0,0,0|3,0,0]=4 2097 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_102515433106_100000737683 [0,1,0,0,0,0|3,0,0]=4 2098 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_100000738227_100000033203 [0,1,0,0,0,0|3,0,0]=4 2099 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_102515433106_100012179268 [0,1,0,0,0,0|3,0,0]=4 2100 B15R0.81 CNC(=O)CCOCCCCCCCCBr 34a_100009813846_100012179268 [0,1,0,0,0,0|2,0,0]=3 2101 B15R0.81 CNC(=O)CCOCCCCCCCCBr 7a_100009813846_100000737683 [0,1,0,0,0,0|2,0,0]=3 2102 B15R0.81 CNC(=O)CCOCCCCCCCCCl 34a_100000033203_100012179268 [0,1,0,0,0,0|2,1,0]=4 2103 B15R0.81 CNC(=O)CCOCCCCCCCCCl 7a_100000033203_100000737683 [0,1,0,0,0,0|2,1,0]=4 2104 B15R0.81 CNC(=O)CCOCCCCCCCCN 34a_102515433106_100012179268 [0,1,0,0,0,0|3,0,0]=4 2105 B15R0.81 CNC(=O)CCOCCCCCCCCO 34a_100000754576_100000033203 [0,1,0,0,0,0|3,0,0]=4 2106 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000033203_100000737683 [0,1,0,0,0,0|3,0,0]=4 2107 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000737683_100000033203 [0,1,0,0,0,0|3,0,0]=4 2108 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183359 [0,1,0,0,0,0|3,0,0]=4 2109 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000693194_100009813782 [0,1,0,0,0,0|3,0,0]=4 2110 B15R0.81 CNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183359 [0,1,0,0,0,0|3,0,0]=4 2111 B15R0.81 CNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183359 [0,1,0,0,0,0|2,0,0]=3 2112 B15R0.81 CNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183359 [0,1,0,0,0,0|2,0,0]=3 2113 B15R0.81 CNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183359 [0,1,0,0,0,0|2,1,0]=4 2114 B15R0.81 CNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183359 [0,1,0,0,0,0|2,1,0]=4 2115 B15R0.81 CNC(=O)COCCCCCCCCCN 34a_100000078944_100000183359 [0,1,0,0,0,0|3,0,0]=4 2116 B15R0.81 CNC(=O)COCCCCCCCCCO 34a_100000750040_100009813782 [0,1,0,0,0,0|3,0,0]=4 2117 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100000183359_100009813782 [0,1,0,0,0,0|3,0,0]=4 2118 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183359 [0,1,0,0,0,0|3,0,0]=4 2119 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100000066964_106832991635 [0,1,0,0,0,0|3,0,0]=4 2120 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100102657272_100000066964 [0,1,0,0,0,0|3,0,0]=4 2121 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100000066964_100102657272 [0,1,0,0,0,0|3,0,0]=4 2122 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100102657272_100000066964 [0,1,0,0,0,0|3,0,0]=4 2123 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_100000066964_100102657272 [0,1,0,0,0,0|3,0,0]=4 2124 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_106832991638_100000066964 [0,1,0,0,0,0|3,0,0]=4 2125 B15R0.81 CNC(=O)OCCOCCCCCCCBr 34a_100000760002_200011997002 [0,1,0,0,0,0|3,0,0]=4 2126 B15R0.81 CNC(=O)OCCOCCCCCCCBr 7a_100000760002_200011997002 [0,1,0,0,0,0|3,0,0]=4 2127 B15R0.81 CNCCCCCCCCCCC(=O)OC 2230a_106832991635_100009812566 [0,1,0,0,0,0|2,0,0]=3 2128 B15R0.81 CNCCCCCCCCCCC(=O)OC 34a_100102657272_100009812566 [0,1,0,0,0,0|2,0,0]=3 2129 B15R0.81 CNCCCCCCCCCCC(=O)OC 7a_106832991635_100009812566 [0,1,0,0,0,0|2,0,0]=3 2130 B15R0.81 CNCCCCCOCCCCC(=O)OC 34a_100000722520_100000204269 [0,1,0,0,0,0|3,0,0]=4 2131 B15R0.81 CNCCCOCCCCCCC(=O)OC 34a_100000213112_100009815986 [0,1,0,0,0,0|3,0,0]=4 2132 B15R0.81 COC(=O)/C=C/COCCCCCCCBr 34a_100000760002_100000742655 [0,1,0,0,0,0|1,0,2]=4 2133 B15R0.81 COC(=O)/C=C/COCCCCCCCBr 7a_100000760002_100000742655 [0,1,0,0,0,0|1,0,2]=4 2134 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 34a_100011003013_200025704644 [0,1,0,0,0,0|2,0,0]=3 2135 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 7a_100011003013_200025704644 [0,1,0,0,0,0|2,0,0]=3 2136 B15R0.81 COC(=O)CCCCCCCCCCSC 62a_200000210301_100009812566 [0,1,0,0,0,0|2,0,0]=3 2137 B15R0.81 COC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009812566 [0,1,0,0,0,0|2,0,0]=3 2138 B15R0.81 COC(=O)CCCCCCCCCSCF 62a_100015361967_100009813843 [0,1,0,0,0,0|1,1,0]=3 2139 B15R0.81 COC(=O)CCCCCCCCNCCF 34a_100000724931_100010282707 [0,1,0,0,0,0|1,1,0]=3 2140 B15R0.81 COC(=O)CCCCCCCCNCCO 2230a_100016997473_100010282707 [0,1,0,0,0,0|2,0,0]=3 2141 B15R0.81 COC(=O)CCCCCCCCNCCO 34a_100016990907_100010282707 [0,1,0,0,0,0|2,0,0]=3 2142 B15R0.81 COC(=O)CCCCCCCCOCC#N 7a_100000035544_100011215382 [0,1,0,0,0,0|2,0,1]=4 2143 B15R0.81 COC(=O)CCCCCCCCOCC=O 34a_100000035544_200009817547 [0,1,0,0,0,0|2,0,1]=4 2144 B15R0.81 COC(=O)CCCCCCCCOCC=O 7a_100000035544_200015260668 [0,1,0,0,0,0|2,0,1]=4 2145 B15R0.81 COC(=O)CCCCCCCCOCCBr 34a_100000211926_100010282707 [0,1,0,0,0,0|1,0,0]=2 2146 B15R0.81 COC(=O)CCCCCCCCOCCF 34a_100000035544_100011217306 [0,1,0,0,0,0|1,1,0]=3 2147 B15R0.81 COC(=O)CCCCCCCCOCCF 7a_100000035544_100011217306 [0,1,0,0,0,0|1,1,0]=3 2148 B15R0.81 COC(=O)CCCCCCCCOCCN 34a_100000210304_100010282707 [0,1,0,0,0,0|2,0,0]=3 2149 B15R0.81 COC(=O)CCCCCCCCOCCO 34a_100000035544_100000211926 [0,1,0,0,0,0|2,0,0]=3 2150 B15R0.81 COC(=O)CCCCCCCCOCCO 7a_100000035544_100000211926 [0,1,0,0,0,0|2,0,0]=3 2151 B15R0.81 COC(=O)CCCCCCCCOCSC 34a_100000035544_100011218213 [0,1,0,0,0,0|3,0,0]=4 2152 B15R0.81 COC(=O)CCCCCCCCSCC#N 62a_100010282707_100011215382 [0,1,0,0,0,0|2,0,1]=4 2153 B15R0.81 COC(=O)CCCCCCCCSCC#N 62a_100011215382_100010282707 [0,1,0,0,0,0|2,0,1]=4 2154 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_100010282707_200015260668 [0,1,0,0,0,0|2,0,1]=4 2155 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_200015260668_100010282707 [0,1,0,0,0,0|2,0,1]=4 2156 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100010282707_100011217306 [0,1,0,0,0,0|1,1,0]=3 2157 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100011217306_100010282707 [0,1,0,0,0,0|1,1,0]=3 2158 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100000211926_100010282707 [0,1,0,0,0,0|2,0,0]=3 2159 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100010282707_100000211926 [0,1,0,0,0,0|2,0,0]=3 2160 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100010282707_100011218213 [0,1,0,0,0,0|3,0,0]=4 2161 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100011218213_100010282707 [0,1,0,0,0,0|3,0,0]=4 2162 B15R0.81 COC(=O)CCCCCCCNCCCF 2230a_100015189416_100010004213 [0,1,0,0,0,0|1,1,0]=3 2163 B15R0.81 COC(=O)CCCCCCCNCCCF 34a_100015189416_100010004213 [0,1,0,0,0,0|1,1,0]=3 2164 B15R0.81 COC(=O)CCCCCCCNCCSC 2230a_100020590264_100010004213 [0,1,0,0,0,0|3,0,0]=4 2165 B15R0.81 COC(=O)CCCCCCCOCCC#N 7a_100011022521_100000184422 [0,1,0,0,0,0|2,0,1]=4 2166 B15R0.81 COC(=O)CCCCCCCOCCCBr 34a_100011217188_100010004213 [0,1,0,0,0,0|1,0,0]=2 2167 B15R0.81 COC(=O)CCCCCCCOCCCCl 34a_100000230001_100010004213 [0,1,0,0,0,0|1,1,0]=3 2168 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100000759539_100010004213 [0,1,0,0,0,0|1,1,0]=3 2169 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100011022521_100011934791 [0,1,0,0,0,0|1,1,0]=3 2170 B15R0.81 COC(=O)CCCCCCCOCCCF 7a_100011022521_100011934791 [0,1,0,0,0,0|1,1,0]=3 2171 B15R0.81 COC(=O)CCCCCCCOCCCN 34a_100000182051_100010004213 [0,1,0,0,0,0|2,0,0]=3 2172 B15R0.81 COC(=O)CCCCCCCOCCCO 34a_100011022521_100000230001 [0,1,0,0,0,0|2,0,0]=3 2173 B15R0.81 COC(=O)CCCCCCCOCCCO 7a_100011022521_100011215043 [0,1,0,0,0,0|2,0,0]=3 2174 B15R0.81 COC(=O)CCCCCCCOCCON 34a_100000700252_100010004213 [0,1,0,0,0,0|3,0,0]=4 2175 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100000230434_100010004213 [0,1,0,0,0,0|3,0,0]=4 2176 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100011022521_100000212216 [0,1,0,0,0,0|3,0,0]=4 2177 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100000230434_100010004213 [0,1,0,0,0,0|3,0,0]=4 2178 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100011022521_100000212216 [0,1,0,0,0,0|3,0,0]=4 2179 B15R0.81 COC(=O)CCCCCCCSCCC#N 62a_100010004213_100011215226 [0,1,0,0,0,0|2,0,1]=4 2180 B15R0.81 COC(=O)CCCCCCCSCCC#N 62a_100011215226_100010004213 [0,1,0,0,0,0|2,0,1]=4 2181 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100010004213_100011934791 [0,1,0,0,0,0|1,1,0]=3 2182 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100011934791_100010004213 [0,1,0,0,0,0|1,1,0]=3 2183 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100010004213_100011215043 [0,1,0,0,0,0|2,0,0]=3 2184 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100011215043_100010004213 [0,1,0,0,0,0|2,0,0]=3 2185 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100000212216_100010004213 [0,1,0,0,0,0|3,0,0]=4 2186 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100010004213_100000751147 [0,1,0,0,0,0|3,0,0]=4 2187 B15R0.81 COC(=O)CCCCCCNCCCCO 2230a_100000750430_100009815986 [0,1,0,0,0,0|2,0,0]=3 2188 B15R0.81 COC(=O)CCCCCCNCCCCO 34a_100000750430_100009815986 [0,1,0,0,0,0|2,0,0]=3 2189 B15R0.81 COC(=O)CCCCCCNCCCSC 2230a_100000749238_100009815986 [0,1,0,0,0,0|3,0,0]=4 2190 B15R0.81 COC(=O)CCCCCCOCCCC#N 7a_100009863599_100000687738 [0,1,0,0,0,0|2,0,1]=4 2191 B15R0.81 COC(=O)CCCCCCOCCCC=O 7a_100009863599_200011292268 [0,1,0,0,0,0|2,0,1]=4 2192 B15R0.81 COC(=O)CCCCCCOCCCCBr 34a_100011216708_100009815986 [0,1,0,0,0,0|1,0,0]=2 2193 B15R0.81 COC(=O)CCCCCCOCCCCCl 34a_100000210776_100009815986 [0,1,0,0,0,0|1,1,0]=3 2194 B15R0.81 COC(=O)CCCCCCOCCCCCl 7a_100000210776_100009815986 [0,1,0,0,0,0|1,1,0]=3 2195 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100009863599_100000729493 [0,1,0,0,0,0|1,1,0]=3 2196 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100011995726_100009815986 [0,1,0,0,0,0|1,1,0]=3 2197 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100009863599_100000729493 [0,1,0,0,0,0|1,1,0]=3 2198 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100011995726_100009815986 [0,1,0,0,0,0|1,1,0]=3 2199 B15R0.81 COC(=O)CCCCCCOCCCCI 34a_200012148704_100009815986 [0,1,0,0,0,0|1,1,0]=3 2200 B15R0.81 COC(=O)CCCCCCOCCCCN 34a_100000750430_100009815986 [0,1,0,0,0,0|2,0,0]=3 2201 B15R0.81 COC(=O)CCCCCCOCCCCO 34a_100009863599_100011216708 [0,1,0,0,0,0|2,0,0]=3 2202 B15R0.81 COC(=O)CCCCCCOCCCCO 7a_100009863599_100000210776 [0,1,0,0,0,0|2,0,0]=3 2203 B15R0.81 COC(=O)CCCCCCOCCCSC 34a_100000690336_100009815986 [0,1,0,0,0,0|3,0,0]=4 2204 B15R0.81 COC(=O)CCCCCCOCCCSC 7a_100000690336_100009815986 [0,1,0,0,0,0|3,0,0]=4 2205 B15R0.81 COC(=O)CCCCCCSCCCC#N 62a_100000687738_100009815986 [0,1,0,0,0,0|2,0,1]=4 2206 B15R0.81 COC(=O)CCCCCCSCCCC#N 62a_100009815986_100000687738 [0,1,0,0,0,0|2,0,1]=4 2207 B15R0.81 COC(=O)CCCCCCSCCCC=O 62a_100009815986_200011292268 [0,1,0,0,0,0|2,0,1]=4 2208 B15R0.81 COC(=O)CCCCCCSCCCC=O 62a_200011292268_100009815986 [0,1,0,0,0,0|2,0,1]=4 2209 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100000729493_100009815986 [0,1,0,0,0,0|1,1,0]=3 2210 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100009815986_100000729493 [0,1,0,0,0,0|1,1,0]=3 2211 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100000210776_100009815986 [0,1,0,0,0,0|2,0,0]=3 2212 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100009815986_100000210776 [0,1,0,0,0,0|2,0,0]=3 2213 B15R0.81 COC(=O)CCCCCNCCCCCO 2230a_100000762737_100009816466 [0,1,0,0,0,0|2,0,0]=3 2214 B15R0.81 COC(=O)CCCCCNCCCCCO 34a_100000762737_100009816466 [0,1,0,0,0,0|2,0,0]=3 2215 B15R0.81 COC(=O)CCCCCNCCOCCO 2230a_100000211614_100009816466 [0,1,0,0,0,0|3,0,0]=4 2216 B15R0.81 COC(=O)CCCCCNCCOCCO 34a_100000211614_100009816466 [0,1,0,0,0,0|3,0,0]=4 2217 B15R0.81 COC(=O)CCCCCNCCSCCO 2230a_100011219999_100009816466 [0,1,0,0,0,0|3,0,0]=4 2218 B15R0.81 COC(=O)CCCCCOCCCCC#N 7a_100000074720_100000211819 [0,1,0,0,0,0|2,0,1]=4 2219 B15R0.81 COC(=O)CCCCCOCCCCC=O 7a_100000074720_100000139335 [0,1,0,0,0,0|2,0,1]=4 2220 B15R0.81 COC(=O)CCCCCOCCCCCBr 34a_100000746331_100009816466 [0,1,0,0,0,0|1,0,0]=2 2221 B15R0.81 COC(=O)CCCCCOCCCCCBr 7a_100000746331_100009816466 [0,1,0,0,0,0|1,0,0]=2 2222 B15R0.81 COC(=O)CCCCCOCCCCCCl 34a_100000746330_100009816466 [0,1,0,0,0,0|1,1,0]=3 2223 B15R0.81 COC(=O)CCCCCOCCCCCCl 7a_100000746330_100009816466 [0,1,0,0,0,0|1,1,0]=3 2224 B15R0.81 COC(=O)CCCCCOCCCCCF 34a_100000074720_100000729378 [0,1,0,0,0,0|1,1,0]=3 2225 B15R0.81 COC(=O)CCCCCOCCCCCF 7a_100000074720_100000729378 [0,1,0,0,0,0|1,1,0]=3 2226 B15R0.81 COC(=O)CCCCCOCCCCCI 34a_200012148887_100009816466 [0,1,0,0,0,0|1,1,0]=3 2227 B15R0.81 COC(=O)CCCCCOCCCCCI 7a_200012148887_100009816466 [0,1,0,0,0,0|1,1,0]=3 2228 B15R0.81 COC(=O)CCCCCOCCCCCN 34a_100000762737_100009816466 [0,1,0,0,0,0|2,0,0]=3 2229 B15R0.81 COC(=O)CCCCCOCCCCCO 34a_100000074720_100000746330 [0,1,0,0,0,0|2,0,0]=3 2230 B15R0.81 COC(=O)CCCCCOCCCCCO 7a_100000074720_100000746330 [0,1,0,0,0,0|2,0,0]=3 2231 B15R0.81 COC(=O)CCCCCOCCCCSC 34a_100011217163_100009816466 [0,1,0,0,0,0|3,0,0]=4 2232 B15R0.81 COC(=O)CCCCCOCCCCSC 7a_100011217163_100009816466 [0,1,0,0,0,0|3,0,0]=4 2233 B15R0.81 COC(=O)CCCCCOCCOCCBr 34a_100000692535_100009816466 [0,1,0,0,0,0|2,0,0]=3 2234 B15R0.81 COC(=O)CCCCCOCCOCCBr 7a_100000692535_100009816466 [0,1,0,0,0,0|2,0,0]=3 2235 B15R0.81 COC(=O)CCCCCOCCOCCCl 34a_100011215305_100009816466 [0,1,0,0,0,0|2,1,0]=4 2236 B15R0.81 COC(=O)CCCCCOCCOCCCl 7a_100011215305_100009816466 [0,1,0,0,0,0|2,1,0]=4 2237 B15R0.81 COC(=O)CCCCCOCCOCCF 34a_200015357709_100009816466 [0,1,0,0,0,0|2,1,0]=4 2238 B15R0.81 COC(=O)CCCCCOCCOCCF 7a_200015357709_100009816466 [0,1,0,0,0,0|2,1,0]=4 2239 B15R0.81 COC(=O)CCCCCOCCOCCI 34a_100012149058_100009816466 [0,1,0,0,0,0|2,1,0]=4 2240 B15R0.81 COC(=O)CCCCCOCCOCCI 7a_100012149058_100009816466 [0,1,0,0,0,0|2,1,0]=4 2241 B15R0.81 COC(=O)CCCCCOCCOCCN 34a_100000211614_100009816466 [0,1,0,0,0,0|3,0,0]=4 2242 B15R0.81 COC(=O)CCCCCOCCOCCO 34a_100000074720_100000692535 [0,1,0,0,0,0|3,0,0]=4 2243 B15R0.81 COC(=O)CCCCCOCCOCCO 7a_100000074720_100011215305 [0,1,0,0,0,0|3,0,0]=4 2244 B15R0.81 COC(=O)CCCCCSCCCCC#N 62a_100009816466_100000211819 [0,1,0,0,0,0|2,0,1]=4 2245 B15R0.81 COC(=O)CCCCCSCCCCC#N 62a_100011219923_100009816466 [0,1,0,0,0,0|2,0,1]=4 2246 B15R0.81 COC(=O)CCCCCSCCCCC=O 62a_100000139335_100009816466 [0,1,0,0,0,0|2,0,1]=4 2247 B15R0.81 COC(=O)CCCCCSCCCCC=O 62a_100009816466_100000139335 [0,1,0,0,0,0|2,0,1]=4 2248 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100000729378_100009816466 [0,1,0,0,0,0|1,1,0]=3 2249 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100009816466_100000729378 [0,1,0,0,0,0|1,1,0]=3 2250 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100000746330_100009816466 [0,1,0,0,0,0|2,0,0]=3 2251 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100009816466_100000746330 [0,1,0,0,0,0|2,0,0]=3 2252 B15R0.81 COC(=O)CCCCCSCCOCCO 62a_100009816466_100011215305 [0,1,0,0,0,0|3,0,0]=4 2253 B15R0.81 COC(=O)CCCCCSCCOCCO 62a_100011215305_100009816466 [0,1,0,0,0,0|3,0,0]=4 2254 B15R0.81 COC(=O)CCCCNCCCCCCO 2230a_100000686447_100000204269 [0,1,0,0,0,0|2,0,0]=3 2255 B15R0.81 COC(=O)CCCCNCCCCCCO 34a_100000686447_100000204269 [0,1,0,0,0,0|2,0,0]=3 2256 B15R0.81 COC(=O)CCCCOCCCCCC#N 7a_100000059025_100009813376 [0,1,0,0,0,0|2,0,1]=4 2257 B15R0.81 COC(=O)CCCCOCCCCCC=O 7a_100000059025_100000139337 [0,1,0,0,0,0|2,0,1]=4 2258 B15R0.81 COC(=O)CCCCOCCCCCCBr 34a_100011215345_100000204269 [0,1,0,0,0,0|1,0,0]=2 2259 B15R0.81 COC(=O)CCCCOCCCCCCBr 7a_100011215345_100000204269 [0,1,0,0,0,0|1,0,0]=2 2260 B15R0.81 COC(=O)CCCCOCCCCCCCl 34a_100000766143_100000204269 [0,1,0,0,0,0|1,1,0]=3 2261 B15R0.81 COC(=O)CCCCOCCCCCCCl 7a_100000766143_100000204269 [0,1,0,0,0,0|1,1,0]=3 2262 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000059025_100015922095 [0,1,0,0,0,0|1,1,0]=3 2263 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000732779_100000204269 [0,1,0,0,0,0|1,1,0]=3 2264 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000059025_100015922095 [0,1,0,0,0,0|1,1,0]=3 2265 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000732779_100000204269 [0,1,0,0,0,0|1,1,0]=3 2266 B15R0.81 COC(=O)CCCCOCCCCCCN 34a_100000686447_100000204269 [0,1,0,0,0,0|2,0,0]=3 2267 B15R0.81 COC(=O)CCCCOCCCCCCO 34a_100000059025_100000766143 [0,1,0,0,0,0|2,0,0]=3 2268 B15R0.81 COC(=O)CCCCOCCCCCCO 7a_100000059025_100000766143 [0,1,0,0,0,0|2,0,0]=3 2269 B15R0.81 COC(=O)CCCCSCCCCCC#N 62a_100000204269_100009813376 [0,1,0,0,0,0|2,0,1]=4 2270 B15R0.81 COC(=O)CCCCSCCCCCC#N 62a_100009813376_100000204269 [0,1,0,0,0,0|2,0,1]=4 2271 B15R0.81 COC(=O)CCCCSCCCCCC=O 62a_100000139337_100000204269 [0,1,0,0,0,0|2,0,1]=4 2272 B15R0.81 COC(=O)CCCCSCCCCCC=O 62a_100000204269_100000139337 [0,1,0,0,0,0|2,0,1]=4 2273 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100000204269_100015922095 [0,1,0,0,0,0|1,1,0]=3 2274 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100015922095_100000204269 [0,1,0,0,0,0|1,1,0]=3 2275 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000204269_100000766143 [0,1,0,0,0,0|2,0,0]=3 2276 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000766143_100000204269 [0,1,0,0,0,0|2,0,0]=3 2277 B15R0.81 COC(=O)CCCNCCCCCCCO 2230a_100011996573_100011218270 [0,1,0,0,0,0|2,0,0]=3 2278 B15R0.81 COC(=O)CCCNCCCCCCCO 34a_100011996573_100000742333 [0,1,0,0,0,0|2,0,0]=3 2279 B15R0.81 COC(=O)CCCNCCCOCCCO 2230a_100011310245_100011218270 [0,1,0,0,0,0|3,0,0]=4 2280 B15R0.81 COC(=O)CCCNCCCOCCCO 34a_100011310245_100000742333 [0,1,0,0,0,0|3,0,0]=4 2281 B15R0.81 COC(=O)CCCOCCCCCCCBr 34a_100000760002_100000742333 [0,1,0,0,0,0|1,0,0]=2 2282 B15R0.81 COC(=O)CCCOCCCCCCCBr 7a_100000760002_100011218270 [0,1,0,0,0,0|1,0,0]=2 2283 B15R0.81 COC(=O)CCCOCCCCCCCN 34a_100011996573_100000742333 [0,1,0,0,0,0|2,0,0]=3 2284 B15R0.81 COC(=O)CCCOCCCOCCCN 34a_100011310245_100000742333 [0,1,0,0,0,0|3,0,0]=4 2285 B15R0.81 COC(=O)CCCSCCCCCCC#N 62a_100009813337_100011218270 [0,1,0,0,0,0|2,0,1]=4 2286 B15R0.81 COC(=O)CCCSCCCCCCC#N 62a_100011218270_100009813337 [0,1,0,0,0,0|2,0,1]=4 2287 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100000760002_100011218270 [0,1,0,0,0,0|2,0,0]=3 2288 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100011218270_100000760002 [0,1,0,0,0,0|2,0,0]=3 2289 B15R0.81 COC(=O)CCNCCCCCCCCO 2230a_102515433106_100000204255 [0,1,0,0,0,0|2,0,0]=3 2290 B15R0.81 COC(=O)CCNCCCCCCCCO 34a_102515433106_100000742370 [0,1,0,0,0,0|2,0,0]=3 2291 B15R0.81 COC(=O)CCOCCCCCCCCBr 34a_100009813846_100000742370 [0,1,0,0,0,0|1,0,0]=2 2292 B15R0.81 COC(=O)CCOCCCCCCCCBr 7a_100009813846_100000204255 [0,1,0,0,0,0|1,0,0]=2 2293 B15R0.81 COC(=O)CCOCCCCCCCCCl 34a_100000033203_100000742370 [0,1,0,0,0,0|1,1,0]=3 2294 B15R0.81 COC(=O)CCOCCCCCCCCCl 7a_100000033203_100000204255 [0,1,0,0,0,0|1,1,0]=3 2295 B15R0.81 COC(=O)CCOCCCCCCCCN 34a_102515433106_100000742370 [0,1,0,0,0,0|2,0,0]=3 2296 B15R0.81 COC(=O)CCOCCCCCNCCN 34a_103619048469_100000742370 [0,1,0,0,0,0|3,0,0]=4 2297 B15R0.81 COC(=O)CCOCCOCCOCCBr 34a_100010132937_100000742370 [0,1,0,0,0,0|3,0,0]=4 2298 B15R0.81 COC(=O)CCOCCOCCOCCBr 7a_100010132937_100000204255 [0,1,0,0,0,0|3,0,0]=4 2299 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000033203_100000204255 [0,1,0,0,0,0|2,0,0]=3 2300 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000204255_100000033203 [0,1,0,0,0,0|2,0,0]=3 2301 B15R0.81 COC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747449 [0,1,0,0,0,0|2,0,0]=3 2302 B15R0.81 COC(=O)CNCCCCCCCCCO 34a_100000078944_100000747449 [0,1,0,0,0,0|2,0,0]=3 2303 B15R0.81 COC(=O)COCCCCCCCCCBr 34a_100009813782_100000747449 [0,1,0,0,0,0|1,0,0]=2 2304 B15R0.81 COC(=O)COCCCCCCCCCBr 7a_100009813782_100000747449 [0,1,0,0,0,0|1,0,0]=2 2305 B15R0.81 COC(=O)COCCCCCCCCCCl 34a_100009868337_100000747449 [0,1,0,0,0,0|1,1,0]=3 2306 B15R0.81 COC(=O)COCCCCCCCCCCl 7a_100009868337_100000747449 [0,1,0,0,0,0|1,1,0]=3 2307 B15R0.81 COC(=O)COCCCCCCCCCN 34a_100000078944_100000747449 [0,1,0,0,0,0|2,0,0]=3 2308 B15R0.81 COC(=O)COCCNCCCCCCO 2230a_100000686447_100000090808 [0,1,0,0,0,0|3,0,0]=4 2309 B15R0.81 COC(=O)COCCNCCCCCCO 34a_100000686447_100000090808 [0,1,0,0,0,0|3,0,0]=4 2310 B15R0.81 COC(=O)COCCOCCCCCCBr 34a_100011215345_100000090808 [0,1,0,0,0,0|2,0,0]=3 2311 B15R0.81 COC(=O)COCCOCCCCCCBr 7a_100011215345_100000090808 [0,1,0,0,0,0|2,0,0]=3 2312 B15R0.81 COC(=O)COCCOCCCCCCCl 34a_100000766143_100000090808 [0,1,0,0,0,0|2,1,0]=4 2313 B15R0.81 COC(=O)COCCOCCCCCCCl 7a_100000766143_100000090808 [0,1,0,0,0,0|2,1,0]=4 2314 B15R0.81 COC(=O)COCCOCCCCCCF 34a_100000732779_100000090808 [0,1,0,0,0,0|2,1,0]=4 2315 B15R0.81 COC(=O)COCCOCCCCCCF 7a_100000732779_100000090808 [0,1,0,0,0,0|2,1,0]=4 2316 B15R0.81 COC(=O)COCCOCCCCCCN 34a_100000686447_100000090808 [0,1,0,0,0,0|3,0,0]=4 2317 B15R0.81 COC(=O)COCCSCCCCCCF 62a_100000090808_100015922095 [0,1,0,0,0,0|2,1,0]=4 2318 B15R0.81 COC(=O)COCCSCCCCCCF 62a_100015922095_100000090808 [0,1,0,0,0,0|2,1,0]=4 2319 B15R0.81 COC(=O)COCCSCCCCCCO 62a_100000090808_100000766143 [0,1,0,0,0,0|3,0,0]=4 2320 B15R0.81 COC(=O)COCCSCCCCCCO 62a_100000766143_100000090808 [0,1,0,0,0,0|3,0,0]=4 2321 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100000747449_100009813782 [0,1,0,0,0,0|2,0,0]=3 2322 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100009813782_100000747449 [0,1,0,0,0,0|2,0,0]=3 2323 B15R0.81 COC(=O)NCCOCCCCCCCO 34a_100000757965_100000760002 [0,1,0,0,0,0|3,0,0]=4 2324 B15R0.81 COC(=O)OCCOCCCCCCCO 34a_100010262106_100000760002 [0,1,0,0,0,0|3,0,0]=4 2325 B15R0.81 COC(=O)OCSCCCCCCCCO 62a_100000033203_100000139417 [0,1,0,0,0,0|3,0,0]=4 2326 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100011003013_200000210301 [0,1,0,0,0,0|2,0,0]=3 2327 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100138415774_100009812566 [0,1,0,0,0,0|2,0,0]=3 2328 B15R0.81 COCCCCCCCCCCC(=O)OC 7a_100011003013_200000210301 [0,1,0,0,0,0|2,0,0]=3 2329 B15R0.81 COCCCCCCOCCCC(=O)OC 34a_200012092642_100000742333 [0,1,0,0,0,0|3,0,0]=4 2330 B15R0.81 COCCCCCCOCCCC(=O)OC 7a_200012092642_100011218270 [0,1,0,0,0,0|3,0,0]=4 2331 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011218270_100011998445 [0,1,0,0,0,0|3,0,0]=4 2332 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011998445_100011218270 [0,1,0,0,0,0|3,0,0]=4 2333 B15R0.81 COCCCCCNCCCCC(=O)OC 2230a_100000747528_100000204269 [0,1,0,0,0,0|3,0,0]=4 2334 B15R0.81 COCCCCCNCCCCC(=O)OC 34a_100000747528_100000204269 [0,1,0,0,0,0|3,0,0]=4 2335 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000074720_100000755781 [0,1,0,0,0,0|3,0,0]=4 2336 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000740925_100009816466 [0,1,0,0,0,0|3,0,0]=4 2337 B15R0.81 COCCCCOCCCCCC(=O)OC 7a_100000074720_100000730899 [0,1,0,0,0,0|3,0,0]=4 2338 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100000730899_100009816466 [0,1,0,0,0,0|3,0,0]=4 2339 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100009816466_100000730899 [0,1,0,0,0,0|3,0,0]=4 2340 B15R0.81 COCCCNCCCCCCC(=O)OC 34a_100150723488_100009815986 [0,1,0,0,0,0|3,0,0]=4 2341 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100000740835_100009815986 [0,1,0,0,0,0|3,0,0]=4 2342 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100009863599_100000740836 [0,1,0,0,0,0|3,0,0]=4 2343 B15R0.81 COCCCOCCCCCCC(=O)OC 7a_100009863599_100000740836 [0,1,0,0,0,0|3,0,0]=4 2344 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100000709357_100009815986 [0,1,0,0,0,0|3,0,0]=4 2345 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100009815986_100000709357 [0,1,0,0,0,0|3,0,0]=4 2346 B15R0.81 COCCNCCCCCCCC(=O)OC 2230a_100000209980_100010004213 [0,1,0,0,0,0|3,0,0]=4 2347 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100000210237_100010004213 [0,1,0,0,0,0|3,0,0]=4 2348 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100011022521_100011201679 [0,1,0,0,0,0|3,0,0]=4 2349 B15R0.81 COCCOCCCCCCCC(=O)OC 7a_100011022521_100000233755 [0,1,0,0,0,0|3,0,0]=4 2350 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100000233755_100010004213 [0,1,0,0,0,0|3,0,0]=4 2351 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100010004213_100000233755 [0,1,0,0,0,0|3,0,0]=4 2352 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100000766300_100010282707 [0,1,0,0,0,0|3,0,0]=4 2353 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100010282707_100000766300 [0,1,0,0,0,0|3,0,0]=4 2354 B15R0.81 C[C@@H](CO)COCCCCCCCCCBr 34a_100009813782_100000059175 [0,1,0,0,0,0|2,0,1]=4 2355 B15R0.81 C[C@@H](CO)COCCCCCCCCCBr 7a_100009813782_100000059175 [0,1,0,0,0,0|2,0,1]=4 2356 B15R0.81 NC(=NO)CCOCCCCCCCCO 34a_100000749954_100000033203 [0,1,0,0,0,0|3,0,0]=4 2357 B15R0.81 NNC(=O)CCCOCCCCCCCO 34a_100000211488_100000760002 [0,1,0,0,0,0|3,0,0]=4 2358 B15R0.81 O=C(CO)CCCCCCCCCCCO 1458a_100000210174_100009812471 [0,1,0,0,0,0|1,0,0]=2 2359 B15R0.81 O=C(CO)NCCCCCCCCCCO 240690a_100000066964_100000210174 [0,1,0,0,0,0|2,0,0]=3 2360 B15R0.81 OCC(O)COCCCCCCCCCBr 34a_100009813782_100011219619 [0,1,0,0,0,0|1,0,2]=4 2361 B15R0.81 OCC(O)COCCCCCCCCCBr 7a_100009813782_100011219619 [0,1,0,0,0,0|1,0,2]=4 2362 B15R0.81 OC[C@H](O)COCCCCCCCCCBr 34a_100009813782_100009815848 [0,1,0,0,0,0|1,0,2]=4 2363 B15R0.81 OC[C@H](O)COCCCCCCCCCBr 7a_100009813782_100009815848 [0,1,0,0,0,0|1,0,2]=4 2364 B15R0.81 O[C@@H](CF)COCCCCCCCCCBr 34a_100009813782_100015614560 [0,1,0,0,0,0|2,0,1]=4 2365 B15R0.81 O[C@@H](CF)COCCCCCCCCCBr 7a_100009813782_100015614560 [0,1,0,0,0,0|2,0,1]=4 2366 B15R0.84 C#CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100153394163 [0,1,0,0,0,0|2,0,1]=4 2367 B15R0.84 C#CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100153394163 [0,1,0,0,0,0|2,0,1]=4 2368 B15R0.84 C=CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011933949 [0,1,0,0,0,0|2,0,1]=4 2369 B15R0.84 C=CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100012355270 [0,1,0,0,0,0|2,0,1]=4 2370 B15R0.84 C=CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100012355270 [0,1,0,0,0,0|2,0,1]=4 2371 B15R0.84 CC(=O)C(=O)COCCCCCCCCBr 34a_100009813846_100011261029 [0,1,0,0,0,0|2,0,1]=4 2372 B15R0.84 CC(=O)C(C)COCCCCCCCCO 34a_100000032740_100000033203 [0,1,0,0,0,0|3,0,0]=4 2373 B15R0.84 CC(=O)C(C)COCCCCCCCCO 7a_100000032740_100000033203 [0,1,0,0,0,0|3,0,0]=4 2374 B15R0.84 CC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100009814033 [0,1,0,0,0,0|3,0,0]=4 2375 B15R0.84 CC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000179758 [0,1,0,0,0,0|2,0,0]=3 2376 B15R0.84 CC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000179758 [0,1,0,0,0,0|2,1,0]=4 2377 B15R0.84 CC(=O)C(C)OCCCCCCCCCO 34a_100000212229_100009813782 [0,1,0,0,0,0|3,0,0]=4 2378 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100009814033 [0,1,0,0,0,0|3,0,0]=4 2379 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009814033_100009813782 [0,1,0,0,0,0|3,0,0]=4 2380 B15R0.84 CC(CNCCCCCCCCO)C(=O)O 269956a_100000749485_100000033203 [0,1,0,0,0,0|2,0,0]=3 2381 B15R0.84 CC(NCCCCCCCCCO)C(=O)N 2230a_100000078944_100000702099 [0,1,0,0,0,0|3,0,0]=4 2382 B15R0.84 CC(NCCCCCCCCCO)C(=O)N 34a_100000078944_100000702099 [0,1,0,0,0,0|3,0,0]=4 2383 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 34a_100009813782_100000702099 [0,1,0,0,0,0|2,0,0]=3 2384 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 7a_100009813782_100000702099 [0,1,0,0,0,0|2,0,0]=3 2385 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 34a_100009868337_100000702099 [0,1,0,0,0,0|2,1,0]=4 2386 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 7a_100009868337_100000702099 [0,1,0,0,0,0|2,1,0]=4 2387 B15R0.84 CC(OCCCCCCCCCN)C(=O)N 34a_100000078944_100000702099 [0,1,0,0,0,0|3,0,0]=4 2388 B15R0.84 CC(SCCCCCCCCCO)C(=O)N 62a_100000702099_100009813782 [0,1,0,0,0,0|3,0,0]=4 2389 B15R0.84 CC(SCCCCCCCCCO)C(=O)N 62a_100009813782_100000702099 [0,1,0,0,0,0|3,0,0]=4 2390 B15R0.84 CCCCCCCCCCNC(C)C(=O)C 2230a_100000684558_100009814033 [0,1,0,0,0,0|3,0,0]=4 2391 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 2230a_100000684558_100000702099 [0,1,0,0,0,0|3,0,0]=4 2392 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 34a_100000684558_100000702099 [0,1,0,0,0,0|3,0,0]=4 2393 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 2230a_100000684558_100009813875 [0,1,0,0,0,0|3,0,0]=4 2394 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 34a_100000684558_100009813875 [0,1,0,0,0,0|3,0,0]=4 2395 B15R0.84 CCCCCCCCCCNC(F)C(=O)[O-] 34a_100000684558_100020610796 [0,1,0,0,0,0|2,0,1]=4 2396 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [0,1,0,0,0,0|2,0,0]=3 2397 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210320 [0,1,0,0,0,0|3,0,0]=4 2398 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210320 [0,1,0,0,0,0|3,0,0]=4 2399 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210320 [0,1,0,0,0,0|3,0,0]=4 2400 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 7a_100000210711_100000179758 [0,1,0,0,0,0|3,0,0]=4 2401 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 34a_100000210711_100000702099 [0,1,0,0,0,0|3,0,0]=4 2402 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 7a_100000210711_100000702099 [0,1,0,0,0,0|3,0,0]=4 2403 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 34a_100000210711_100009813875 [0,1,0,0,0,0|3,0,0]=4 2404 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 7a_100000210711_100009813875 [0,1,0,0,0,0|3,0,0]=4 2405 B15R0.84 CCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210711_100020610796 [0,1,0,0,0,0|2,0,1]=4 2406 B15R0.84 CCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210320 [0,1,0,0,0,0|2,0,1]=4 2407 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210320 [0,1,0,0,0,0|3,0,0]=4 2408 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210320 [0,1,0,0,0,0|3,0,0]=4 2409 B15R0.84 CCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210320 [0,1,0,0,0,0|3,0,0]=4 2410 B15R0.84 CCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210320 [0,1,0,0,0,0|3,0,0]=4 2411 B15R0.84 CCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210320 [0,1,0,0,0,0|3,0,0]=4 2412 B15R0.84 CCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210320 [0,1,0,0,0,0|2,0,1]=4 2413 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [0,1,0,0,0,0|2,0,0]=3 2414 B15R0.84 CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210670 [0,1,0,0,0,0|2,0,0]=3 2415 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011214924 [0,1,0,0,0,0|3,0,0]=4 2416 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210328 [0,1,0,0,0,0|3,0,0]=4 2417 B15R0.84 CCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011214924 [0,1,0,0,0,0|3,0,0]=4 2418 B15R0.84 C[C@@H](NCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813782 [0,1,0,0,0,0|3,0,0]=4 2419 B15R0.84 C[C@@H](NCCCCCCCCCO)C(=O)N 34a_100000119354_100009813782 [0,1,0,0,0,0|3,0,0]=4 2420 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 34a_100000731257_100009813782 [0,1,0,0,0,0|3,0,0]=4 2421 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 7a_100000731257_100009813782 [0,1,0,0,0,0|3,0,0]=4 2422 B15R0.84 C[C@H](NCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813782 [0,1,0,0,0,0|2,0,0]=3 2423 B15R0.84 C[C@H](OCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813782 [0,1,0,0,0,0|2,0,1]=4 2424 B15R0.84 NC(=O)C(F)NCCCCCCCCCO 2230a_100000078944_100009813875 [0,1,0,0,0,0|3,0,0]=4 2425 B15R0.84 NC(=O)C(F)NCCCCCCCCCO 34a_100000078944_100009813875 [0,1,0,0,0,0|3,0,0]=4 2426 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 34a_100009813782_100009813875 [0,1,0,0,0,0|2,0,0]=3 2427 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 7a_100009813782_100009813875 [0,1,0,0,0,0|2,0,0]=3 2428 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 34a_100009868337_100009813875 [0,1,0,0,0,0|2,1,0]=4 2429 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 7a_100009868337_100009813875 [0,1,0,0,0,0|2,1,0]=4 2430 B15R0.84 NC(=O)C(F)SCCCCCCCCCO 62a_100009813782_100009813875 [0,1,0,0,0,0|3,0,0]=4 2431 B15R0.84 NC(=O)C(F)SCCCCCCCCCO 62a_100009813875_100009813782 [0,1,0,0,0,0|3,0,0]=4 2432 B15R0.84 NC(=O)[C@@H](N)COCCCCCCCCO 34a_100000729942_100000033203 [0,1,0,0,0,0|3,0,0]=4 2433 B15R0.84 NCCCCCCCCCOC(F)C(=O)N 34a_100000078944_100009813875 [0,1,0,0,0,0|3,0,0]=4 2434 B15R0.84 NCCCCCCCCCOC(F)C(=O)[O-] 34a_100000078944_100020610796 [0,1,0,0,0,0|2,0,1]=4 2435 B15R0.84 O=C(O)C(F)CNCCCCCCCCO 269956a_100000084737_100000033203 [0,1,0,0,0,0|2,0,0]=3 2436 B15R0.84 O=C([O-])C(F)NCCCCCCCCCO 34a_100000078944_100020610796 [0,1,0,0,0,0|2,0,1]=4 2437 B15R0.84 O=C([O-])C(F)OCCCCCCCCCBr 34a_100009813782_100020610796 [0,1,0,0,0,0|1,0,1]=3 2438 B15R0.84 O=C([O-])C(F)OCCCCCCCCCCl 34a_100009868337_100020610796 [0,1,0,0,0,0|1,1,1]=4 2439 B15R0.84 O=C([O-])C(F)SCCCCCCCCCO 62a_100009813782_100020610796 [0,1,0,0,0,0|2,0,1]=4 2440 B15R0.84 O=C([O-])C(F)SCCCCCCCCCO 62a_100020610796_100009813782 [0,1,0,0,0,0|2,0,1]=4 2441 B15R0.88 CC(=O)OCC(O)COCCCCCCBr 34a_100011215345_200000139349 [0,1,0,0,0,0|3,0,0]=4 2442 B15R0.88 CC(=O)OCC(O)COCCCCCCBr 7a_100011215345_200000139349 [0,1,0,0,0,0|3,0,0]=4 2443 B15R0.88 CC(=O)SCC(C)COCCCCCCBr 34a_100011215345_200000116872 [0,1,0,0,0,0|3,0,0]=4 2444 B15R0.88 CC(=O)SCC(C)COCCCCCCBr 7a_100011215345_200000116872 [0,1,0,0,0,0|3,0,0]=4 2445 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [0,1,0,0,0,0|2,0,1]=4 2446 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 34a_100011218016_100000187820 [0,1,0,0,0,0|3,0,0]=4 2447 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 7a_100011218016_100000187820 [0,1,0,0,0,0|3,0,0]=4 2448 B15R0.88 CCCCCCCCCC(C)OCC(=O)[O-] 34a_100011218016_100020667443 [0,1,0,0,0,0|2,0,1]=4 2449 B15R0.88 CCCCCCCCCN(C)CCC(=O)C 269982a_100000232482_100000053229 [0,1,0,0,0,0|3,0,0]=4 2450 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000232482_100000744528 [0,1,0,0,0,0|3,0,0]=4 2451 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011214924 [0,1,0,0,0,0|3,0,0]=4 2452 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 269982a_100000232482_100000744528 [0,1,0,0,0,0|3,0,0]=4 2453 B15R0.88 CN(CCCCCCCCO)CCC(=O)N 2230a_100000730477_100000033203 [0,1,0,0,0,0|3,0,0]=4 2454 B15R0.88 NC(=O)CCC(=O)CCCCCCCCO 1458a_100011215257_100000033203 [0,1,0,0,0,0|2,0,1]=4 2455 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 34a_100011713154_100009817362 [0,1,0,0,0,0|3,0,0]=4 2456 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 7a_100011713154_100000735457 [0,1,0,0,0,0|3,0,0]=4 2457 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 34a_100011217855_100009817443 [0,1,0,0,0,0|3,0,0]=4 2458 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 7a_100011217855_100009817443 [0,1,0,0,0,0|3,0,0]=4 2459 B15R0.111 CCC[C@H](N)CCOCCCCCC(=O)N 34a_100015193777_100009817443 [0,1,0,0,0,0|3,0,0]=4 2460 B15R0.129 CC(=O)CCCCC(=O)CCCCCCO 1458a_100011996774_100000735457 [0,1,0,0,0,0|2,0,1]=4 2461 B15R0.129 CCCCCCCC(=O)CCCCC(=O)C 1458a_100000211969_100000735457 [0,1,0,0,0,0|2,0,1]=4 2462 B15R0.129 CCCCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218727 [0,1,0,0,0,0|3,0,0]=4 2463 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218727 [0,1,0,0,0,0|3,0,0]=4 2464 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_200011215852_100000685027 [0,1,0,0,0,0|3,0,0]=4 2465 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218727 [0,1,0,0,0,0|3,0,0]=4 2466 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_200011215852_100011215641 [0,1,0,0,0,0|3,0,0]=4 2467 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 34a_200011215852_100102525003 [0,1,0,0,0,0|3,0,0]=4 2468 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 7a_200011215852_100102525003 [0,1,0,0,0,0|3,0,0]=4 2469 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218727 [0,1,0,0,0,0|3,0,0]=4 2470 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_200011218727_100011215641 [0,1,0,0,0,0|3,0,0]=4 2471 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218727 [0,1,0,0,0,0|3,0,0]=4 2472 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_200011218727_100102525003 [0,1,0,0,0,0|3,0,0]=4 2473 B15R0.129 CCCCCCCN(C)CCCCC(=O)C 269982a_100000228206_100000735457 [0,1,0,0,0,0|3,0,0]=4 2474 B15R0.164 C#CCCCCCCCCCOCC(=O)N 34a_100000034437_100000187820 [0,1,0,0,0,0|2,0,1]=4 2475 B15R0.164 C#CCCCCCCCCCOCC(=O)N 7a_100000034437_100000187820 [0,1,0,0,0,0|2,0,1]=4 2476 B15R0.164 C#CCCCCCCCCCOCC(=O)[O-] 34a_100000034437_100020667443 [0,1,0,0,0,0|1,0,2]=4 2477 B15R0.164 C#CCCCCCCCCOCCC(=O)C 7a_100000065265_100000053229 [0,1,0,0,0,0|2,0,1]=4 2478 B15R0.164 C#CCCCCCCCCOCCC(=O)N 34a_100000065265_100000731001 [0,1,0,0,0,0|2,0,1]=4 2479 B15R0.164 C#CCCCCCCCCOCCC(=O)N 7a_100000065265_100000744528 [0,1,0,0,0,0|2,0,1]=4 2480 B15R0.164 C#CCCCCCCCNCCCC(=O)N 34a_100000739312_100153394163 [0,1,0,0,0,0|2,0,1]=4 2481 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000054614_100000685027 [0,1,0,0,0,0|2,0,1]=4 2482 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000759063_100153394163 [0,1,0,0,0,0|2,0,1]=4 2483 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000054614_100011215641 [0,1,0,0,0,0|2,0,1]=4 2484 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000759063_100153394163 [0,1,0,0,0,0|2,0,1]=4 2485 B15R0.164 C#CCCCCCCCOCCCC(=O)N 34a_100000054614_100102525003 [0,1,0,0,0,0|2,0,1]=4 2486 B15R0.164 C#CCCCCCCCOCCCC(=O)N 7a_100000054614_100102525003 [0,1,0,0,0,0|2,0,1]=4 2487 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100011215641_100153394163 [0,1,0,0,0,0|2,0,1]=4 2488 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100153394163_100011215641 [0,1,0,0,0,0|2,0,1]=4 2489 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100102525003_100153394163 [0,1,0,0,0,0|2,0,1]=4 2490 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100153394163_100102525003 [0,1,0,0,0,0|2,0,1]=4 2491 B15R0.164 C#CCCCCCCNCCCCC(=O)N 34a_100000696515_100012276617 [0,1,0,0,0,0|2,0,1]=4 2492 B15R0.164 C#CCCCCCCNCCOCC(=O)O 269956a_100000700818_100012276617 [0,1,0,0,0,0|2,0,1]=4 2493 B15R0.164 C#CCCCCCCOCCCCC(=O)C 34a_100011217361_100009817362 [0,1,0,0,0,0|2,0,1]=4 2494 B15R0.164 C#CCCCCCCOCCCCC(=O)C 7a_100011217361_100000735457 [0,1,0,0,0,0|2,0,1]=4 2495 B15R0.164 C#CCCCCCCOCCCCC(=O)N 34a_100012022536_100012276617 [0,1,0,0,0,0|2,0,1]=4 2496 B15R0.164 C#CCCCCCCOCCCCC(=O)N 7a_100012022536_100012276617 [0,1,0,0,0,0|2,0,1]=4 2497 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100000735457_100012276617 [0,1,0,0,0,0|2,0,1]=4 2498 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100012276617_100000735457 [0,1,0,0,0,0|2,0,1]=4 2499 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000123541_100012094781 [0,1,0,0,0,0|2,0,1]=4 2500 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000766912_100009817443 [0,1,0,0,0,0|2,0,1]=4 2501 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000123541_100012094781 [0,1,0,0,0,0|2,0,1]=4 2502 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000766912_100009817443 [0,1,0,0,0,0|2,0,1]=4 2503 B15R0.164 C#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012094781 [0,1,0,0,0,0|1,0,2]=4 2504 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100009817443_100012094781 [0,1,0,0,0,0|2,0,1]=4 2505 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100012094781_100009817443 [0,1,0,0,0,0|2,0,1]=4 2506 B15R0.164 C=C(Br)CCOCCCCCCCCCO 34a_100009813270_100009813782 [0,1,0,0,0,0|3,0,0]=4 2507 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [0,1,0,0,0,0|3,0,0]=4 2508 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [0,1,0,0,0,0|3,0,0]=4 2509 B15R0.164 C=C(C)CCNCCCCCCCCCO 2230a_100000078944_100000730704 [0,1,0,0,0,0|3,0,0]=4 2510 B15R0.164 C=C(C)CCNCCCCCCCCCO 34a_100000078944_100000730704 [0,1,0,0,0,0|3,0,0]=4 2511 B15R0.164 C=C(C)CCOCCCCCCCCCCl 34a_100009868337_100000730704 [0,1,0,0,0,0|2,1,0]=4 2512 B15R0.164 C=C(C)CCOCCCCCCCCCCl 7a_100009868337_100000730704 [0,1,0,0,0,0|2,1,0]=4 2513 B15R0.164 C=C(C)CCOCCCCCCCCCN 34a_100000078944_100000730704 [0,1,0,0,0,0|3,0,0]=4 2514 B15R0.164 C=C(C)CCOCCCCCCCCCO 34a_100000764851_100009813782 [0,1,0,0,0,0|3,0,0]=4 2515 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100000730704_100009813782 [0,1,0,0,0,0|3,0,0]=4 2516 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100009813782_100000730704 [0,1,0,0,0,0|3,0,0]=4 2517 B15R0.164 C=C(C)CNCCCCCCCCCCC 2230a_200011215754_100000748629 [0,1,0,0,0,0|3,0,0]=4 2518 B15R0.164 C=C(C)CNCCCCCCCCCCC 34a_200011215754_100000748629 [0,1,0,0,0,0|3,0,0]=4 2519 B15R0.164 C=C(C)CNCCCCCCCCCCO 2230a_100000066964_100000748629 [0,1,0,0,0,0|3,0,0]=4 2520 B15R0.164 C=C(C)CNCCCCCCCCCCO 34a_100000066964_100000748629 [0,1,0,0,0,0|3,0,0]=4 2521 B15R0.164 C=C(C)COCCCCCCCCCCCl 34a_200000033068_100000748629 [0,1,0,0,0,0|2,1,0]=4 2522 B15R0.164 C=C(C)COCCCCCCCCCCCl 7a_200000033068_100000748629 [0,1,0,0,0,0|2,1,0]=4 2523 B15R0.164 C=C(C)COCCCCCCCCCCN 34a_100000066964_100000748629 [0,1,0,0,0,0|3,0,0]=4 2524 B15R0.164 C=C(C)COCCCCCCCCCCO 34a_100000210245_100009813290 [0,1,0,0,0,0|3,0,0]=4 2525 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100000748629_200000033068 [0,1,0,0,0,0|3,0,0]=4 2526 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100009813290_100000211660 [0,1,0,0,0,0|3,0,0]=4 2527 B15R0.164 C=C(F)CNCCCCCCCCCCC 2230a_200011215754_100009893438 [0,1,0,0,0,0|3,0,0]=4 2528 B15R0.164 C=C(F)CNCCCCCCCCCCC 34a_200011215754_100009893438 [0,1,0,0,0,0|3,0,0]=4 2529 B15R0.164 C=C(F)CNCCCCCCCCCCO 2230a_100000066964_100009893438 [0,1,0,0,0,0|3,0,0]=4 2530 B15R0.164 C=C(F)CNCCCCCCCCCCO 34a_100000066964_100009893438 [0,1,0,0,0,0|3,0,0]=4 2531 B15R0.164 C=C(F)COCCCCCCCCCCCl 34a_200000033068_100009893438 [0,1,0,0,0,0|2,1,0]=4 2532 B15R0.164 C=C(F)COCCCCCCCCCCCl 7a_200000033068_100000042424 [0,1,0,0,0,0|2,1,0]=4 2533 B15R0.164 C=C(F)COCCCCCCCCCCN 34a_100000066964_100009893438 [0,1,0,0,0,0|3,0,0]=4 2534 B15R0.164 C=C(F)COCCCCCCCCCCO 34a_200010262243_100009813290 [0,1,0,0,0,0|3,0,0]=4 2535 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100000042424_200000033068 [0,1,0,0,0,0|3,0,0]=4 2536 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100009813290_100000042424 [0,1,0,0,0,0|3,0,0]=4 2537 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000081888_100000747473 [0,1,0,0,0,0|2,0,1]=4 2538 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000711301_100009814027 [0,1,0,0,0,0|2,0,1]=4 2539 B15R0.164 C=CCCCCCCCCCNCC(=O)N 34a_100000081888_100000187820 [0,1,0,0,0,0|2,0,1]=4 2540 B15R0.164 C=CCCCCCCCCCNCC(=O)O 269956a_100016091260_100009814027 [0,1,0,0,0,0|1,0,1]=3 2541 B15R0.164 C=CCCCCCCCCCNCC(=O)[O-] 34a_100000081888_100020667443 [0,1,0,0,0,0|1,0,2]=4 2542 B15R0.164 C=CCCCCCCCCCOCC(=O)C 34a_100000211253_100009814027 [0,1,0,0,0,0|2,0,1]=4 2543 B15R0.164 C=CCCCCCCCCCOCC(=O)N 34a_100000038209_100000187820 [0,1,0,0,0,0|2,0,1]=4 2544 B15R0.164 C=CCCCCCCCCCOCC(=O)N 7a_100000038209_100000187820 [0,1,0,0,0,0|2,0,1]=4 2545 B15R0.164 C=CCCCCCCCCCOCC(=O)[O-] 34a_100000038209_100020667443 [0,1,0,0,0,0|1,0,2]=4 2546 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100000747473_100009814027 [0,1,0,0,0,0|2,0,1]=4 2547 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100009814027_100000747473 [0,1,0,0,0,0|2,0,1]=4 2548 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100009814027_100020667443 [0,1,0,0,0,0|1,0,2]=4 2549 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100009814027 [0,1,0,0,0,0|1,0,2]=4 2550 B15R0.164 C=CCCCCCCCCNOCC(=O)O 269956a_100000106656_100011933949 [0,1,0,0,0,0|2,0,1]=4 2551 B15R0.164 C=CCCCCCCCCOCCC(=O)C 34a_100000759926_100011933949 [0,1,0,0,0,0|2,0,1]=4 2552 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100000759926_100011933949 [0,1,0,0,0,0|2,0,1]=4 2553 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100011215194_100000053229 [0,1,0,0,0,0|2,0,1]=4 2554 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100000757172_100011933949 [0,1,0,0,0,0|2,0,1]=4 2555 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100011215194_100000731001 [0,1,0,0,0,0|2,0,1]=4 2556 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100000757172_100011933949 [0,1,0,0,0,0|2,0,1]=4 2557 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100011215194_100000744528 [0,1,0,0,0,0|2,0,1]=4 2558 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100000053229_100011933949 [0,1,0,0,0,0|2,0,1]=4 2559 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100011933949_100000053229 [0,1,0,0,0,0|2,0,1]=4 2560 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100000744528_100011933949 [0,1,0,0,0,0|2,0,1]=4 2561 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100011933949_100000744528 [0,1,0,0,0,0|2,0,1]=4 2562 B15R0.164 C=CCCCCCCCNCCCC(=O)N 34a_100000739312_100012355270 [0,1,0,0,0,0|2,0,1]=4 2563 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000730831_100000685027 [0,1,0,0,0,0|2,0,1]=4 2564 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000759063_100012355270 [0,1,0,0,0,0|2,0,1]=4 2565 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000730831_100011215641 [0,1,0,0,0,0|2,0,1]=4 2566 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000759063_100012355270 [0,1,0,0,0,0|2,0,1]=4 2567 B15R0.164 C=CCCCCCCCOCCCC(=O)N 34a_100000730831_100102525003 [0,1,0,0,0,0|2,0,1]=4 2568 B15R0.164 C=CCCCCCCCOCCCC(=O)N 7a_100000730831_100102525003 [0,1,0,0,0,0|2,0,1]=4 2569 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100011215641_100012355270 [0,1,0,0,0,0|2,0,1]=4 2570 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100012355270_100011215641 [0,1,0,0,0,0|2,0,1]=4 2571 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100012355270_100102525003 [0,1,0,0,0,0|2,0,1]=4 2572 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100102525003_100012355270 [0,1,0,0,0,0|2,0,1]=4 2573 B15R0.164 C=CCCCCCCNCCCCC(=O)N 34a_100000696515_100011215473 [0,1,0,0,0,0|2,0,1]=4 2574 B15R0.164 C=CCCCCCCNCCOCC(=O)O 269956a_100000700818_100011215473 [0,1,0,0,0,0|2,0,1]=4 2575 B15R0.164 C=CCCCCCCOCCCCC(=O)C 34a_200011216477_100009817362 [0,1,0,0,0,0|2,0,1]=4 2576 B15R0.164 C=CCCCCCCOCCCCC(=O)C 7a_200011216477_100000735457 [0,1,0,0,0,0|2,0,1]=4 2577 B15R0.164 C=CCCCCCCOCCCCC(=O)N 34a_100012022536_100011215473 [0,1,0,0,0,0|2,0,1]=4 2578 B15R0.164 C=CCCCCCCOCCCCC(=O)N 7a_100012022536_100011215473 [0,1,0,0,0,0|2,0,1]=4 2579 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100000735457_100011215473 [0,1,0,0,0,0|2,0,1]=4 2580 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100011215473_100000735457 [0,1,0,0,0,0|2,0,1]=4 2581 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100000123541_100000700193 [0,1,0,0,0,0|2,0,1]=4 2582 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100011216702_100009817443 [0,1,0,0,0,0|2,0,1]=4 2583 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100000123541_100000700193 [0,1,0,0,0,0|2,0,1]=4 2584 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100011216702_100009817443 [0,1,0,0,0,0|2,0,1]=4 2585 B15R0.164 C=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000700193 [0,1,0,0,0,0|1,0,2]=4 2586 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100000700193_100009817443 [0,1,0,0,0,0|2,0,1]=4 2587 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100009817443_100000700193 [0,1,0,0,0,0|2,0,1]=4 2588 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [0,1,0,0,0,0|2,0,0]=3 2589 B15R0.164 CC(=O)CCCCCCOCCCCCO 1458a_100000070787_200132310570 [0,1,0,0,0,0|2,0,0]=3 2590 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [0,1,0,0,0,0|2,0,0]=3 2591 B15R0.164 CC(=O)CCCCNCCCOCCCO 34a_100011310245_100009817362 [0,1,0,0,0,0|3,0,0]=4 2592 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [0,1,0,0,0,0|1,0,0]=2 2593 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [0,1,0,0,0,0|1,0,0]=2 2594 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [0,1,0,0,0,0|2,0,0]=3 2595 B15R0.164 CC(=O)CCCCOCCCOCCCN 34a_100011310245_100009817362 [0,1,0,0,0,0|3,0,0]=4 2596 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100000735457_100009813337 [0,1,0,0,0,0|2,0,1]=4 2597 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000735457 [0,1,0,0,0,0|2,0,1]=4 2598 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [0,1,0,0,0,0|2,0,0]=3 2599 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [0,1,0,0,0,0|2,0,0]=3 2600 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [0,1,0,0,0,0|2,0,0]=3 2601 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [0,1,0,0,0,0|1,0,0]=2 2602 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [0,1,0,0,0,0|1,0,0]=2 2603 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [0,1,0,0,0,0|1,1,0]=3 2604 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [0,1,0,0,0,0|1,1,0]=3 2605 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [0,1,0,0,0,0|2,0,0]=3 2606 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [0,1,0,0,0,0|2,0,0]=3 2607 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [0,1,0,0,0,0|2,0,0]=3 2608 B15R0.164 CC(=O)CCCOCCCCCNCCN 34a_103619048469_100000685027 [0,1,0,0,0,0|3,0,0]=4 2609 B15R0.164 CC(=O)CCCOCCOCCOCCBr 34a_100010132937_100000685027 [0,1,0,0,0,0|3,0,0]=4 2610 B15R0.164 CC(=O)CCCOCCOCCOCCBr 7a_100010132937_100011215641 [0,1,0,0,0,0|3,0,0]=4 2611 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [0,1,0,0,0,0|2,0,0]=3 2612 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [0,1,0,0,0,0|2,0,0]=3 2613 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [0,1,0,0,0,0|1,0,0]=2 2614 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [0,1,0,0,0,0|1,1,0]=3 2615 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [0,1,0,0,0,0|2,0,0]=3 2616 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [0,1,0,0,0,0|2,0,0]=3 2617 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [0,1,0,0,0,0|2,0,0]=3 2618 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [0,1,0,0,0,0|2,0,0]=3 2619 B15R0.164 CC(=O)COCCCCCCCCCCO 34a_100000211253_100009813290 [0,1,0,0,0,0|2,0,0]=3 2620 B15R0.164 CC(=O)NCCCCCCNCCCCF 2230a_200011996284_100000729493 [0,1,0,0,0,0|2,1,0]=4 2621 B15R0.164 CC(=O)NCCCCCCNCCCCF 34a_200011996284_100000729493 [0,1,0,0,0,0|2,1,0]=4 2622 B15R0.164 CC(=O)NCCCCCCNCCCCO 2230a_200011996284_100000210776 [0,1,0,0,0,0|3,0,0]=4 2623 B15R0.164 CC(=O)NCCCCCCNCCCCO 34a_200011996284_100011216708 [0,1,0,0,0,0|3,0,0]=4 2624 B15R0.164 CC(=O)NCCCCCNCCCCCF 2230a_200012022750_100000729378 [0,1,0,0,0,0|2,1,0]=4 2625 B15R0.164 CC(=O)NCCCCCNCCCCCF 34a_200012022750_100000729378 [0,1,0,0,0,0|2,1,0]=4 2626 B15R0.164 CC(=O)NCCCCCNCCCCCO 2230a_200012022750_100000746330 [0,1,0,0,0,0|3,0,0]=4 2627 B15R0.164 CC(=O)NCCCCCNCCCCCO 34a_200012022750_100000746330 [0,1,0,0,0,0|3,0,0]=4 2628 B15R0.164 CC(=O)NCCCCNCCCCCCF 2230a_200011368371_100015922095 [0,1,0,0,0,0|2,1,0]=4 2629 B15R0.164 CC(=O)NCCCCNCCCCCCF 34a_200011368371_100015922095 [0,1,0,0,0,0|2,1,0]=4 2630 B15R0.164 CC(=O)NCCCCNCCCCCCO 2230a_200011368371_100000766143 [0,1,0,0,0,0|3,0,0]=4 2631 B15R0.164 CC(=O)NCCCCNCCCCCCO 34a_200011368371_100000766143 [0,1,0,0,0,0|3,0,0]=4 2632 B15R0.164 CC(=O)NCCCNCCCCCCCO 34a_100000736810_100000760002 [0,1,0,0,0,0|3,0,0]=4 2633 B15R0.164 CC(=O)NCCCOCCCCCCCO 34a_100000752032_100000760002 [0,1,0,0,0,0|3,0,0]=4 2634 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_100000209853_100000033203 [0,1,0,0,0,0|3,0,0]=4 2635 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_102515433106_100000189650 [0,1,0,0,0,0|3,0,0]=4 2636 B15R0.164 CC(=O)NCCOCCCCCCCCBr 7a_100009813846_100000189650 [0,1,0,0,0,0|2,0,0]=3 2637 B15R0.164 CC(=O)NCCOCCCCCCCCCl 7a_100000033203_100000189650 [0,1,0,0,0,0|2,1,0]=4 2638 B15R0.164 CC(=O)NCCOCCCCCCCCO 34a_100000158858_100000033203 [0,1,0,0,0,0|3,0,0]=4 2639 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000033203_100000189650 [0,1,0,0,0,0|3,0,0]=4 2640 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000189650_100000033203 [0,1,0,0,0,0|3,0,0]=4 2641 B15R0.164 CC(=O)OCCCCCNCCCCCO 2230a_100000762737_100009813381 [0,1,0,0,0,0|3,0,0]=4 2642 B15R0.164 CC(=O)OCCCCCNCCCCCO 34a_100000762737_100000033007 [0,1,0,0,0,0|3,0,0]=4 2643 B15R0.164 CC(=O)OCCCCCOCCCCCBr 34a_100000746331_100000033007 [0,1,0,0,0,0|2,0,0]=3 2644 B15R0.164 CC(=O)OCCCCCOCCCCCBr 7a_100000746331_100000033007 [0,1,0,0,0,0|2,0,0]=3 2645 B15R0.164 CC(=O)OCCCCCOCCCCCCl 34a_100000746330_100000033007 [0,1,0,0,0,0|2,1,0]=4 2646 B15R0.164 CC(=O)OCCCCCOCCCCCCl 7a_100000746330_100000033007 [0,1,0,0,0,0|2,1,0]=4 2647 B15R0.164 CC(=O)OCCCCCOCCCCCI 34a_200012148887_100000033007 [0,1,0,0,0,0|2,1,0]=4 2648 B15R0.164 CC(=O)OCCCCCOCCCCCI 7a_200012148887_100000033007 [0,1,0,0,0,0|2,1,0]=4 2649 B15R0.164 CC(=O)OCCCCCOCCCCCN 34a_100000762737_100000033007 [0,1,0,0,0,0|3,0,0]=4 2650 B15R0.164 CC(=O)OCCCCCOCCOCCBr 34a_100000692535_100000033007 [0,1,0,0,0,0|3,0,0]=4 2651 B15R0.164 CC(=O)OCCCCCOCCOCCBr 7a_100000692535_100000033007 [0,1,0,0,0,0|3,0,0]=4 2652 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000033007_100000729378 [0,1,0,0,0,0|2,1,0]=4 2653 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000729378_100000033007 [0,1,0,0,0,0|2,1,0]=4 2654 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000033007_100000746330 [0,1,0,0,0,0|3,0,0]=4 2655 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000746330_100000033007 [0,1,0,0,0,0|3,0,0]=4 2656 B15R0.164 CC(=O)OCCCCNCCCCCCO 34a_100000686447_100000033659 [0,1,0,0,0,0|3,0,0]=4 2657 B15R0.164 CC(=O)OCCCCOCCCCCCBr 34a_100011215345_100000033659 [0,1,0,0,0,0|2,0,0]=3 2658 B15R0.164 CC(=O)OCCCCOCCCCCCBr 7a_100011215345_100000033659 [0,1,0,0,0,0|2,0,0]=3 2659 B15R0.164 CC(=O)OCCCCOCCCCCCCl 34a_100000766143_100000033659 [0,1,0,0,0,0|2,1,0]=4 2660 B15R0.164 CC(=O)OCCCCOCCCCCCCl 7a_100000766143_100000033659 [0,1,0,0,0,0|2,1,0]=4 2661 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000073216_100015922095 [0,1,0,0,0,0|2,1,0]=4 2662 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000732779_100000033659 [0,1,0,0,0,0|2,1,0]=4 2663 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000073216_100015922095 [0,1,0,0,0,0|2,1,0]=4 2664 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000732779_100000033659 [0,1,0,0,0,0|2,1,0]=4 2665 B15R0.164 CC(=O)OCCCCOCCCCCCN 34a_100000686447_100000033659 [0,1,0,0,0,0|3,0,0]=4 2666 B15R0.164 CC(=O)OCCCCOCCCCCCO 34a_100000073216_100000766143 [0,1,0,0,0,0|3,0,0]=4 2667 B15R0.164 CC(=O)OCCCCOCCCCCCO 7a_100000073216_100000766143 [0,1,0,0,0,0|3,0,0]=4 2668 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100000033659_100015922095 [0,1,0,0,0,0|2,1,0]=4 2669 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100015922095_100000033659 [0,1,0,0,0,0|2,1,0]=4 2670 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000033659_100000766143 [0,1,0,0,0,0|3,0,0]=4 2671 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000766143_100000033659 [0,1,0,0,0,0|3,0,0]=4 2672 B15R0.164 CC(=O)OCCCNCCCCCCCO 34a_100011996573_100000042594 [0,1,0,0,0,0|3,0,0]=4 2673 B15R0.164 CC(=O)OCCCOCCCCCCCBr 34a_100000760002_100000042594 [0,1,0,0,0,0|2,0,0]=3 2674 B15R0.164 CC(=O)OCCCOCCCCCCCBr 7a_100000760002_100000042594 [0,1,0,0,0,0|2,0,0]=3 2675 B15R0.164 CC(=O)OCCCOCCCCCCCN 34a_100011996573_100000042594 [0,1,0,0,0,0|3,0,0]=4 2676 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000042594_100000760002 [0,1,0,0,0,0|3,0,0]=4 2677 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000760002_100000042594 [0,1,0,0,0,0|3,0,0]=4 2678 B15R0.164 CC(=O)OCCNCCCCCCCCO 34a_102515433106_100009814007 [0,1,0,0,0,0|3,0,0]=4 2679 B15R0.164 CC(=O)OCCOCCCCCCCCBr 34a_100009813846_100009814007 [0,1,0,0,0,0|2,0,0]=3 2680 B15R0.164 CC(=O)OCCOCCCCCCCCBr 7a_100009813846_100009814007 [0,1,0,0,0,0|2,0,0]=3 2681 B15R0.164 CC(=O)OCCOCCCCCCCCCl 34a_100000033203_100009814007 [0,1,0,0,0,0|2,1,0]=4 2682 B15R0.164 CC(=O)OCCOCCCCCCCCCl 7a_100000033203_100009814007 [0,1,0,0,0,0|2,1,0]=4 2683 B15R0.164 CC(=O)OCCOCCCCCCCCN 34a_102515433106_100009814007 [0,1,0,0,0,0|3,0,0]=4 2684 B15R0.164 CC(=O)OCCOCCOCCCCCBr 34a_100000746331_200000083610 [0,1,0,0,0,0|3,0,0]=4 2685 B15R0.164 CC(=O)OCCOCCOCCCCCBr 7a_100000746331_200000083610 [0,1,0,0,0,0|3,0,0]=4 2686 B15R0.164 CC(=O)OCCOCOCCCCCCBr 34a_100011215345_100000076355 [0,1,0,0,0,0|3,0,0]=4 2687 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100000033203_100009814007 [0,1,0,0,0,0|3,0,0]=4 2688 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100009814007_100000033203 [0,1,0,0,0,0|3,0,0]=4 2689 B15R0.164 CC(=O)OCNCCCCCCCCCO 34a_100000078944_100009813279 [0,1,0,0,0,0|3,0,0]=4 2690 B15R0.164 CC(=O)OCOCCCCCCCCCBr 34a_100009813782_100009813279 [0,1,0,0,0,0|2,0,0]=3 2691 B15R0.164 CC(=O)OCOCCCCCCCCCCl 34a_100009868337_100009813279 [0,1,0,0,0,0|2,1,0]=4 2692 B15R0.164 CC(=O)OCOCCCCCCCCCN 34a_100000078944_100009813279 [0,1,0,0,0,0|3,0,0]=4 2693 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100000076356_100009813782 [0,1,0,0,0,0|3,0,0]=4 2694 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100009813782_100000076356 [0,1,0,0,0,0|3,0,0]=4 2695 B15R0.164 CC(=O)SCCCCNCCCCCCO 2230a_100000686447_200010402107 [0,1,0,0,0,0|3,0,0]=4 2696 B15R0.164 CC(=O)SCCCCNCCCCCCO 34a_100000686447_200010402107 [0,1,0,0,0,0|3,0,0]=4 2697 B15R0.164 CC(=O)SCCCCOCCCCCCBr 34a_100011215345_200010402107 [0,1,0,0,0,0|2,0,0]=3 2698 B15R0.164 CC(=O)SCCCCOCCCCCCBr 7a_100011215345_200010402107 [0,1,0,0,0,0|2,0,0]=3 2699 B15R0.164 CC(=O)SCCCCOCCCCCCCl 34a_100000766143_200010402107 [0,1,0,0,0,0|2,1,0]=4 2700 B15R0.164 CC(=O)SCCCCOCCCCCCCl 7a_100000766143_200010402107 [0,1,0,0,0,0|2,1,0]=4 2701 B15R0.164 CC(=O)SCCCCOCCCCCCF 34a_100000732779_200010402107 [0,1,0,0,0,0|2,1,0]=4 2702 B15R0.164 CC(=O)SCCCCOCCCCCCF 7a_100000732779_200010402107 [0,1,0,0,0,0|2,1,0]=4 2703 B15R0.164 CC(=O)SCCCCOCCCCCCN 34a_100000686447_200010402107 [0,1,0,0,0,0|3,0,0]=4 2704 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_100015922095_200010402107 [0,1,0,0,0,0|2,1,0]=4 2705 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_200010402107_100015922095 [0,1,0,0,0,0|2,1,0]=4 2706 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_100000766143_200010402107 [0,1,0,0,0,0|3,0,0]=4 2707 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_200010402107_100000766143 [0,1,0,0,0,0|3,0,0]=4 2708 B15R0.164 CC(=O)SCCCNCCCCCCCO 2230a_100011996573_100000038929 [0,1,0,0,0,0|3,0,0]=4 2709 B15R0.164 CC(=O)SCCCNCCCCCCCO 34a_100011996573_100000038929 [0,1,0,0,0,0|3,0,0]=4 2710 B15R0.164 CC(=O)SCCCOCCCCCCCBr 34a_100000760002_100000038929 [0,1,0,0,0,0|2,0,0]=3 2711 B15R0.164 CC(=O)SCCCOCCCCCCCBr 7a_100000760002_100000038929 [0,1,0,0,0,0|2,0,0]=3 2712 B15R0.164 CC(=O)SCCCOCCCCCCCN 34a_100011996573_100000038929 [0,1,0,0,0,0|3,0,0]=4 2713 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000038929_100000760002 [0,1,0,0,0,0|3,0,0]=4 2714 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000760002_100000038929 [0,1,0,0,0,0|3,0,0]=4 2715 B15R0.164 CC(=S)OCCCOCCCCCCCBr 34a_100000760002_200135323944 [0,1,0,0,0,0|2,1,0]=4 2716 B15R0.164 CC(=S)OCCCOCCCCCCCBr 7a_100000760002_200135323944 [0,1,0,0,0,0|2,1,0]=4 2717 B15R0.164 CC(O)CCCNCCCCCCCCO 2230a_102515433106_200000718107 [0,1,0,0,0,0|2,0,1]=4 2718 B15R0.164 CC(O)CCCNCCCCCCCCO 34a_102515433106_200000718107 [0,1,0,0,0,0|2,0,1]=4 2719 B15R0.164 CC(O)CCCOCCCCCCCCBr 34a_100009813846_200000718107 [0,1,0,0,0,0|1,0,1]=3 2720 B15R0.164 CC(O)CCCOCCCCCCCCBr 7a_100009813846_200000718107 [0,1,0,0,0,0|1,0,1]=3 2721 B15R0.164 CC(O)CCCOCCCCCCCCCl 34a_100000033203_200000718107 [0,1,0,0,0,0|1,1,1]=4 2722 B15R0.164 CC(O)CCCOCCCCCCCCCl 7a_100000033203_200000718107 [0,1,0,0,0,0|1,1,1]=4 2723 B15R0.164 CC(O)CCCOCCCCCCCCN 34a_102515433106_200000718107 [0,1,0,0,0,0|2,0,1]=4 2724 B15R0.164 CC(O)CCCSCCCCCCCCO 62a_100000033203_200000718107 [0,1,0,0,0,0|2,0,1]=4 2725 B15R0.164 CC(O)CCCSCCCCCCCCO 62a_200000718107_100000033203 [0,1,0,0,0,0|2,0,1]=4 2726 B15R0.164 CC(O)CCNCCCCCCCCCO 2230a_100000078944_100012276601 [0,1,0,0,0,0|2,0,1]=4 2727 B15R0.164 CC(O)CCNCCCCCCCCCO 2230a_200000755665_100009813782 [0,1,0,0,0,0|2,0,1]=4 2728 B15R0.164 CC(O)CCNCCCCCCCCCO 34a_100000078944_100012276601 [0,1,0,0,0,0|2,0,1]=4 2729 B15R0.164 CC(O)CCOCCCCCCCCCBr 34a_100009813782_100012276601 [0,1,0,0,0,0|1,0,1]=3 2730 B15R0.164 CC(O)CCOCCCCCCCCCBr 7a_100009813782_100012276601 [0,1,0,0,0,0|1,0,1]=3 2731 B15R0.164 CC(O)CCOCCCCCCCCCCl 34a_100009868337_100012276601 [0,1,0,0,0,0|1,1,1]=4 2732 B15R0.164 CC(O)CCOCCCCCCCCCCl 7a_100009868337_100012276601 [0,1,0,0,0,0|1,1,1]=4 2733 B15R0.164 CC(O)CCOCCCCCCCCCN 34a_100000078944_100012276601 [0,1,0,0,0,0|2,0,1]=4 2734 B15R0.164 CC(O)CCSCCCCCCCCCO 62a_100009813782_100012276601 [0,1,0,0,0,0|2,0,1]=4 2735 B15R0.164 CC(O)CCSCCCCCCCCCO 62a_100012276601_100009813782 [0,1,0,0,0,0|2,0,1]=4 2736 B15R0.164 CC(O)CNCCCCCCCCCCO 2230a_100000066964_100011218427 [0,1,0,0,0,0|2,0,1]=4 2737 B15R0.164 CC(O)CNCCCCCCCCCCO 2230a_100000210904_100009813290 [0,1,0,0,0,0|2,0,1]=4 2738 B15R0.164 CC(O)CNCCCCCCCCCCO 34a_100000066964_100011218427 [0,1,0,0,0,0|2,0,1]=4 2739 B15R0.164 CC(O)CNCCCCCCCCCCO 34a_100000210904_100009813290 [0,1,0,0,0,0|2,0,1]=4 2740 B15R0.164 CC(O)COCCCCCCCCCCBr 34a_100009813290_100011218427 [0,1,0,0,0,0|1,0,1]=3 2741 B15R0.164 CC(O)COCCCCCCCCCCBr 7a_100009813290_100011218427 [0,1,0,0,0,0|1,0,1]=3 2742 B15R0.164 CC(O)COCCCCCCCCCCCl 34a_200000033068_100011218427 [0,1,0,0,0,0|1,1,1]=4 2743 B15R0.164 CC(O)COCCCCCCCCCCCl 7a_200000033068_100011218427 [0,1,0,0,0,0|1,1,1]=4 2744 B15R0.164 CC(O)COCCCCCCCCCCN 34a_100000066964_100011218427 [0,1,0,0,0,0|2,0,1]=4 2745 B15R0.164 CC(O)CSCCCCCCCCCCO 62a_100009813290_100011218427 [0,1,0,0,0,0|2,0,1]=4 2746 B15R0.164 CC(O)CSCCCCCCCCCCO 62a_100011218427_200000033068 [0,1,0,0,0,0|2,0,1]=4 2747 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [0,1,0,0,0,0|2,0,0]=3 2748 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [0,1,0,0,0,0|2,0,0]=3 2749 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [0,1,0,0,0,0|2,0,0]=3 2750 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [0,1,0,0,0,0|2,0,0]=3 2751 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [0,1,0,0,0,0|2,0,0]=3 2752 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [0,1,0,0,0,0|2,0,0]=3 2753 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [0,1,0,0,0,0|2,0,0]=3 2754 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [0,1,0,0,0,0|1,0,0]=2 2755 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [0,1,0,0,0,0|1,0,1]=3 2756 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [0,1,0,0,0,0|2,0,1]=4 2757 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [0,1,0,0,0,0|2,0,1]=4 2758 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [0,1,0,0,0,0|2,0,1]=4 2759 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [0,1,0,0,0,0|2,0,1]=4 2760 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [0,1,0,0,0,0|2,0,1]=4 2761 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [0,1,0,0,0,0|2,0,1]=4 2762 B15R0.164 CCCCCCCCCCCNC[N+](=O)[O-] 34a_200011215754_100000761209 [0,1,0,0,0,0|2,0,1]=4 2763 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [0,1,0,0,0,0|2,0,0]=3 2764 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [0,1,0,0,0,0|2,0,0]=3 2765 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [0,1,0,0,0,0|2,0,0]=3 2766 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [0,1,0,0,0,0|1,0,1]=3 2767 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [0,1,0,0,0,0|2,0,1]=4 2768 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [0,1,0,0,0,0|2,0,1]=4 2769 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [0,1,0,0,0,0|2,0,1]=4 2770 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [0,1,0,0,0,0|2,0,1]=4 2771 B15R0.164 CCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210809_100000761209 [0,1,0,0,0,0|2,0,1]=4 2772 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [0,1,0,0,0,0|2,0,0]=3 2773 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [0,1,0,0,0,0|1,0,1]=3 2774 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [0,1,0,0,0,0|2,0,1]=4 2775 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [0,1,0,0,0,0|2,0,1]=4 2776 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [0,1,0,0,0,0|2,0,0]=3 2777 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [0,1,0,0,0,0|2,0,0]=3 2778 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_100000684558_100012276601 [0,1,0,0,0,0|2,0,1]=4 2779 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_200000755665_100000210320 [0,1,0,0,0,0|2,0,1]=4 2780 B15R0.164 CCCCCCCCCCNCCC(C)O 34a_100000684558_100012276601 [0,1,0,0,0,0|2,0,1]=4 2781 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [0,1,0,0,0,0|3,0,0]=4 2782 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [0,1,0,0,0,0|2,0,0]=3 2783 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [0,1,0,0,0,0|2,0,0]=3 2784 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [0,1,0,0,0,0|2,0,0]=3 2785 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [0,1,0,0,0,0|2,0,0]=3 2786 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [0,1,0,0,0,0|2,0,0]=3 2787 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [0,1,0,0,0,0|2,0,0]=3 2788 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [0,1,0,0,0,0|2,0,0]=3 2789 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [0,1,0,0,0,0|2,0,0]=3 2790 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [0,1,0,0,0,0|2,0,1]=4 2791 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [0,1,0,0,0,0|2,0,1]=4 2792 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [0,1,0,0,0,0|3,0,0]=4 2793 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [0,1,0,0,0,0|2,0,0]=3 2794 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [0,1,0,0,0,0|2,0,0]=3 2795 B15R0.164 CCCCCCCCCCSCCC(C)O 62a_100012276601_100000210320 [0,1,0,0,0,0|2,0,1]=4 2796 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [0,1,0,0,0,0|3,0,0]=4 2797 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [0,1,0,0,0,0|2,0,0]=3 2798 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [0,1,0,0,0,0|2,0,0]=3 2799 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [0,1,0,0,0,0|2,0,0]=3 2800 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [0,1,0,0,0,0|2,0,1]=4 2801 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [0,1,0,0,0,0|2,0,1]=4 2802 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [0,1,0,0,0,0|3,0,0]=4 2803 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [0,1,0,0,0,0|3,0,0]=4 2804 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [0,1,0,0,0,0|3,0,0]=4 2805 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [0,1,0,0,0,0|3,0,0]=4 2806 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [0,1,0,0,0,0|3,0,0]=4 2807 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [0,1,0,0,0,0|3,0,0]=4 2808 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [0,1,0,0,0,0|3,0,0]=4 2809 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [0,1,0,0,0,0|2,0,0]=3 2810 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [0,1,0,0,0,0|2,0,0]=3 2811 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [0,1,0,0,0,0|2,0,0]=3 2812 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [0,1,0,0,0,0|2,0,0]=3 2813 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [0,1,0,0,0,0|2,0,0]=3 2814 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [0,1,0,0,0,0|2,0,0]=3 2815 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [0,1,0,0,0,0|2,0,1]=4 2816 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [0,1,0,0,0,0|2,0,1]=4 2817 B15R0.164 CCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011214924 [0,1,0,0,0,0|2,0,1]=4 2818 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [0,1,0,0,0,0|3,0,0]=4 2819 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [0,1,0,0,0,0|3,0,0]=4 2820 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [0,1,0,0,0,0|3,0,0]=4 2821 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [0,1,0,0,0,0|3,0,0]=4 2822 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [0,1,0,0,0,0|3,0,0]=4 2823 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [0,1,0,0,0,0|3,0,0]=4 2824 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [0,1,0,0,0,0|3,0,0]=4 2825 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [0,1,0,0,0,0|3,0,0]=4 2826 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [0,1,0,0,0,0|3,0,0]=4 2827 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [0,1,0,0,0,0|2,0,0]=3 2828 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [0,1,0,0,0,0|2,0,0]=3 2829 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [0,1,0,0,0,0|2,0,1]=4 2830 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [0,1,0,0,0,0|3,0,0]=4 2831 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [0,1,0,0,0,0|3,0,0]=4 2832 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [0,1,0,0,0,0|3,0,0]=4 2833 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [0,1,0,0,0,0|3,0,0]=4 2834 B15R0.164 CCCCCCCCNCCCCB(O)O 2230a_100000229939_200009817182 [0,1,0,0,0,0|2,0,1]=4 2835 B15R0.164 CCCCCCCCNCCCCB(O)O 34a_100000229939_200009817182 [0,1,0,0,0,0|2,0,1]=4 2836 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [0,1,0,0,0,0|2,0,0]=3 2837 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [0,1,0,0,0,0|2,0,0]=3 2838 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [0,1,0,0,0,0|3,0,0]=4 2839 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [0,1,0,0,0,0|3,0,0]=4 2840 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [0,1,0,0,0,0|3,0,0]=4 2841 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [0,1,0,0,0,0|3,0,0]=4 2842 B15R0.164 CCCCCCCCNCCOCC(=O)N 2230a_100000229939_100000076697 [0,1,0,0,0,0|3,0,0]=4 2843 B15R0.164 CCCCCCCCNCCOCC(=O)N 34a_100000229939_100000076697 [0,1,0,0,0,0|3,0,0]=4 2844 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [0,1,0,0,0,0|2,0,0]=3 2845 B15R0.164 CCCCCCCCOCCCCB(O)O 34a_100000210232_200009817182 [0,1,0,0,0,0|2,0,1]=4 2846 B15R0.164 CCCCCCCCOCCCCB(O)O 7a_100000210232_200009817182 [0,1,0,0,0,0|2,0,1]=4 2847 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [0,1,0,0,0,0|2,0,0]=3 2848 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [0,1,0,0,0,0|2,0,0]=3 2849 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [0,1,0,0,0,0|2,0,0]=3 2850 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [0,1,0,0,0,0|2,0,0]=3 2851 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210759 [0,1,0,0,0,0|2,0,1]=4 2852 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210759 [0,1,0,0,0,0|2,0,1]=4 2853 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [0,1,0,0,0,0|3,0,0]=4 2854 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [0,1,0,0,0,0|3,0,0]=4 2855 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [0,1,0,0,0,0|3,0,0]=4 2856 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [0,1,0,0,0,0|3,0,0]=4 2857 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [0,1,0,0,0,0|3,0,0]=4 2858 B15R0.164 CCCCCCCCOCCOCC(=O)N 34a_100000210232_100000076697 [0,1,0,0,0,0|3,0,0]=4 2859 B15R0.164 CCCCCCCCOCCOCC(=O)N 7a_100000210232_100000076697 [0,1,0,0,0,0|3,0,0]=4 2860 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_100000210759_200009817182 [0,1,0,0,0,0|2,0,1]=4 2861 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_200009817182_100000210317 [0,1,0,0,0,0|2,0,1]=4 2862 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [0,1,0,0,0,0|2,0,0]=3 2863 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [0,1,0,0,0,0|2,0,0]=3 2864 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [0,1,0,0,0,0|3,0,0]=4 2865 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [0,1,0,0,0,0|3,0,0]=4 2866 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [0,1,0,0,0,0|3,0,0]=4 2867 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [0,1,0,0,0,0|3,0,0]=4 2868 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210317 [0,1,0,0,0,0|3,0,0]=4 2869 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000210759_100000076697 [0,1,0,0,0,0|3,0,0]=4 2870 B15R0.164 CCCCCCCNCCCCCB(O)O 2230a_100000229938_200009817188 [0,1,0,0,0,0|2,0,1]=4 2871 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [0,1,0,0,0,0|2,0,0]=3 2872 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [0,1,0,0,0,0|3,0,0]=4 2873 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [0,1,0,0,0,0|3,0,0]=4 2874 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [0,1,0,0,0,0|3,0,0]=4 2875 B15R0.164 CCCCCCCOCCCCCB(O)O 34a_100000210272_200009817188 [0,1,0,0,0,0|2,0,1]=4 2876 B15R0.164 CCCCCCCOCCCCCB(O)O 7a_100000210272_200009817188 [0,1,0,0,0,0|2,0,1]=4 2877 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [0,1,0,0,0,0|2,0,0]=3 2878 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [0,1,0,0,0,0|2,0,0]=3 2879 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [0,1,0,0,0,0|2,0,0]=3 2880 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [0,1,0,0,0,0|2,0,0]=3 2881 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [0,1,0,0,0,0|1,0,1]=3 2882 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [0,1,0,0,0,0|3,0,0]=4 2883 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [0,1,0,0,0,0|3,0,0]=4 2884 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [0,1,0,0,0,0|3,0,0]=4 2885 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [0,1,0,0,0,0|3,0,0]=4 2886 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [0,1,0,0,0,0|3,0,0]=4 2887 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [0,1,0,0,0,0|3,0,0]=4 2888 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_100000210614_200009817188 [0,1,0,0,0,0|2,0,1]=4 2889 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_200009817188_100000210316 [0,1,0,0,0,0|2,0,1]=4 2890 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [0,1,0,0,0,0|2,0,0]=3 2891 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [0,1,0,0,0,0|2,0,0]=3 2892 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [0,1,0,0,0,0|3,0,0]=4 2893 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [0,1,0,0,0,0|3,0,0]=4 2894 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [0,1,0,0,0,0|3,0,0]=4 2895 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [0,1,0,0,0,0|3,0,0]=4 2896 B15R0.164 CCCCCCNCCCCCCB(O)O 2230a_100000210581_100009817187 [0,1,0,0,0,0|2,0,1]=4 2897 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [0,1,0,0,0,0|3,0,0]=4 2898 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [0,1,0,0,0,0|3,0,0]=4 2899 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [0,1,0,0,0,0|3,0,0]=4 2900 B15R0.164 CCCCCCOCCCCCCB(O)O 34a_100000210259_100009817187 [0,1,0,0,0,0|2,0,1]=4 2901 B15R0.164 CCCCCCOCCCCCCB(O)O 7a_100000210259_100009817187 [0,1,0,0,0,0|2,0,1]=4 2902 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [0,1,0,0,0,0|3,0,0]=4 2903 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [0,1,0,0,0,0|3,0,0]=4 2904 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [0,1,0,0,0,0|3,0,0]=4 2905 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [0,1,0,0,0,0|3,0,0]=4 2906 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [0,1,0,0,0,0|3,0,0]=4 2907 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [0,1,0,0,0,0|3,0,0]=4 2908 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100000210314_100009817187 [0,1,0,0,0,0|2,0,1]=4 2909 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100009817187_100000210757 [0,1,0,0,0,0|2,0,1]=4 2910 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [0,1,0,0,0,0|3,0,0]=4 2911 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [0,1,0,0,0,0|3,0,0]=4 2912 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [0,1,0,0,0,0|3,0,0]=4 2913 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [0,1,0,0,0,0|3,0,0]=4 2914 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [0,1,0,0,0,0|3,0,0]=4 2915 B15R0.164 CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210326 [0,1,0,0,0,0|3,0,0]=4 2916 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [0,1,0,0,0,0|3,0,0]=4 2917 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [0,1,0,0,0,0|3,0,0]=4 2918 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [0,1,0,0,0,0|3,0,0]=4 2919 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [0,1,0,0,0,0|3,0,0]=4 2920 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [0,1,0,0,0,0|3,0,0]=4 2921 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [0,1,0,0,0,0|3,0,0]=4 2922 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [0,1,0,0,0,0|3,0,0]=4 2923 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [0,1,0,0,0,0|3,0,0]=4 2924 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [0,1,0,0,0,0|3,0,0]=4 2925 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [0,1,0,0,0,0|3,0,0]=4 2926 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [0,1,0,0,0,0|3,0,0]=4 2927 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000123541_100000743108 [0,1,0,0,0,0|3,0,0]=4 2928 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000210238_100009817443 [0,1,0,0,0,0|3,0,0]=4 2929 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000123541_100000743108 [0,1,0,0,0,0|3,0,0]=4 2930 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000210238_100009817443 [0,1,0,0,0,0|3,0,0]=4 2931 B15R0.164 CCCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000743108 [0,1,0,0,0,0|2,0,1]=4 2932 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100000743108_100009817443 [0,1,0,0,0,0|3,0,0]=4 2933 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100009817443_100000743108 [0,1,0,0,0,0|3,0,0]=4 2934 B15R0.164 CCCCSCCNCCCCCC(=O)N 2230a_100025743550_100009817443 [0,1,0,0,0,0|3,0,0]=4 2935 B15R0.164 CCCCSCCOCCCCCC(=O)N 34a_200000230436_100009817443 [0,1,0,0,0,0|3,0,0]=4 2936 B15R0.164 CCCCSCCOCCCCCC(=O)N 7a_200000230436_100009817443 [0,1,0,0,0,0|3,0,0]=4 2937 B15R0.164 CCCOCCCNCCCCCC(=O)N 2230a_100011217757_100009817443 [0,1,0,0,0,0|3,0,0]=4 2938 B15R0.164 CCCOCCCNCCCCCC(=O)N 34a_100011217757_100009817443 [0,1,0,0,0,0|3,0,0]=4 2939 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [0,1,0,0,0,0|2,0,0]=3 2940 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [0,1,0,0,0,0|2,0,0]=3 2941 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [0,1,0,0,0,0|2,0,0]=3 2942 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [0,1,0,0,0,0|2,0,0]=3 2943 B15R0.164 CN(C)CCCOCCCCCCCCBr 7a_100009813846_100000757444 [0,1,0,0,0,0|3,0,0]=4 2944 B15R0.164 CN(C)CCOCCCCCCCCCBr 7a_100009813782_100000755713 [0,1,0,0,0,0|3,0,0]=4 2945 B15R0.164 CNCCCCCOCCCCCC(=O)N 34a_100000722520_100009817443 [0,1,0,0,0,0|3,0,0]=4 2946 B15R0.164 COCCCCCCNCCCCC(=O)N 34a_100000696515_100011998445 [0,1,0,0,0,0|3,0,0]=4 2947 B15R0.164 COCCCCCCNCCOCC(=O)O 269956a_100000700818_100011998445 [0,1,0,0,0,0|3,0,0]=4 2948 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [0,1,0,0,0,0|3,0,0]=4 2949 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [0,1,0,0,0,0|3,0,0]=4 2950 B15R0.164 COCCCCCCOCCCCC(=O)N 34a_100012022536_100011998445 [0,1,0,0,0,0|3,0,0]=4 2951 B15R0.164 COCCCCCCOCCCCC(=O)N 7a_100012022536_100011998445 [0,1,0,0,0,0|3,0,0]=4 2952 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [0,1,0,0,0,0|3,0,0]=4 2953 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [0,1,0,0,0,0|3,0,0]=4 2954 B15R0.164 COCCCCCNCCCCCC(=O)N 2230a_100000747528_100009817443 [0,1,0,0,0,0|3,0,0]=4 2955 B15R0.164 COCCCCCNCCCCCC(=O)N 34a_100000747528_100009817443 [0,1,0,0,0,0|3,0,0]=4 2956 B15R0.164 CS(=O)CCCNCCCCCCCCO 2230a_200000753449_100000033203 [0,1,0,0,0,0|3,0,0]=4 2957 B15R0.164 C[C@@H](O)CNCCCCCCCCCCO 2230a_100000066964_100009817552 [0,1,0,0,0,0|2,0,1]=4 2958 B15R0.164 C[C@@H](O)CNCCCCCCCCCCO 34a_100000066964_100009817552 [0,1,0,0,0,0|2,0,1]=4 2959 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 34a_100009813290_100009817552 [0,1,0,0,0,0|1,0,1]=3 2960 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 7a_100009813290_100009817552 [0,1,0,0,0,0|1,0,1]=3 2961 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 34a_200000033068_100009817552 [0,1,0,0,0,0|1,1,1]=4 2962 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 7a_200000033068_100009817552 [0,1,0,0,0,0|1,1,1]=4 2963 B15R0.164 C[C@@H](O)COCCCCCCCCCCN 34a_100000066964_100009817552 [0,1,0,0,0,0|2,0,1]=4 2964 B15R0.164 C[C@@H](O)CSCCCCCCCCCCO 62a_100009813290_100009817552 [0,1,0,0,0,0|2,0,1]=4 2965 B15R0.164 C[C@@H](O)CSCCCCCCCCCCO 62a_100009817552_200000033068 [0,1,0,0,0,0|2,0,1]=4 2966 B15R0.164 FC(=CCCOCCCCCCCCBr)F 34a_100009813846_200009816681 [0,1,0,0,0,0|2,0,1]=4 2967 B15R0.164 FC(=CCCOCCCCCCCCBr)F 7a_100009813846_200009816681 [0,1,0,0,0,0|2,0,1]=4 2968 B15R0.164 FC(F)COCCCCCCCCCCBr 34a_100009813290_100011934356 [0,1,0,0,0,0|2,0,1]=4 2969 B15R0.164 FC(F)COCCCCCCCCCCBr 7a_100009813290_100011934356 [0,1,0,0,0,0|2,0,1]=4 2970 B15R0.164 N#CCCCCCCNCCOCC(=O)O 269956a_100000700818_100009813337 [0,1,0,0,0,0|2,0,1]=4 2971 B15R0.164 N#CCCCCCCOCCCCC(=O)N 7a_100012022536_100009813337 [0,1,0,0,0,0|2,0,1]=4 2972 B15R0.164 N#CCCCCCOCCCCCC(=O)N 7a_100000123541_100009813376 [0,1,0,0,0,0|2,0,1]=4 2973 B15R0.164 N#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100009813376 [0,1,0,0,0,0|1,0,2]=4 2974 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009813376_100009817443 [0,1,0,0,0,0|2,0,1]=4 2975 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009817443_100009813376 [0,1,0,0,0,0|2,0,1]=4 2976 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_100015361967_200010167045 [0,1,0,0,0,0|1,1,0]=3 2977 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_200010167045_100015361967 [0,1,0,0,0,0|1,1,0]=3 2978 B15R0.164 NC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009817443 [0,1,0,0,0,0|2,0,0]=3 2979 B15R0.164 NC(=O)CCCCCNCCCCCCO 34a_100000686447_100009817443 [0,1,0,0,0,0|2,0,0]=3 2980 B15R0.164 NC(=O)CCCCCOCCCCCC=O 7a_100000123541_100000139337 [0,1,0,0,0,0|2,0,1]=4 2981 B15R0.164 NC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009817443 [0,1,0,0,0,0|1,0,0]=2 2982 B15R0.164 NC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009817443 [0,1,0,0,0,0|1,0,0]=2 2983 B15R0.164 NC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009817443 [0,1,0,0,0,0|1,1,0]=3 2984 B15R0.164 NC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009817443 [0,1,0,0,0,0|1,1,0]=3 2985 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000123541_100015922095 [0,1,0,0,0,0|1,1,0]=3 2986 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000732779_100009817443 [0,1,0,0,0,0|1,1,0]=3 2987 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000123541_100015922095 [0,1,0,0,0,0|1,1,0]=3 2988 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000732779_100009817443 [0,1,0,0,0,0|1,1,0]=3 2989 B15R0.164 NC(=O)CCCCCOCCCCCCO 34a_100000123541_100000766143 [0,1,0,0,0,0|2,0,0]=3 2990 B15R0.164 NC(=O)CCCCCOCCCCCCO 7a_100000123541_100000766143 [0,1,0,0,0,0|2,0,0]=3 2991 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100000139337_100009817443 [0,1,0,0,0,0|2,0,1]=4 2992 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100009817443_100000139337 [0,1,0,0,0,0|2,0,1]=4 2993 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100009817443_100015922095 [0,1,0,0,0,0|1,1,0]=3 2994 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100015922095_100009817443 [0,1,0,0,0,0|1,1,0]=3 2995 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100000766143_100009817443 [0,1,0,0,0,0|2,0,0]=3 2996 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100009817443_100000766143 [0,1,0,0,0,0|2,0,0]=3 2997 B15R0.164 NC(=O)CCCCNCCCCCCCO 34a_100000696515_100000760002 [0,1,0,0,0,0|2,0,0]=3 2998 B15R0.164 NC(=O)CCCCOCCCCCCCO 34a_100012022536_100000760002 [0,1,0,0,0,0|2,0,0]=3 2999 B15R0.164 NC(=O)CCCCOCCCCCCCO 7a_100012022536_100000760002 [0,1,0,0,0,0|2,0,0]=3 3000 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [0,1,0,0,0,0|2,0,0]=3 3001 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [0,1,0,0,0,0|2,0,0]=3 3002 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [0,1,0,0,0,0|1,0,0]=2 3003 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [0,1,0,0,0,0|1,0,0]=2 3004 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [0,1,0,0,0,0|1,1,0]=3 3005 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [0,1,0,0,0,0|1,1,0]=3 3006 B15R0.164 NC(=O)CCCOCCOCCOCCBr 34a_100010132937_100102525003 [0,1,0,0,0,0|3,0,0]=4 3007 B15R0.164 NC(=O)CCCOCCOCCOCCBr 7a_100010132937_100102525003 [0,1,0,0,0,0|3,0,0]=4 3008 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [0,1,0,0,0,0|2,0,0]=3 3009 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [0,1,0,0,0,0|2,0,0]=3 3010 B15R0.164 NC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000744528 [0,1,0,0,0,0|2,0,0]=3 3011 B15R0.164 NC(=O)CCNCCCCCCCCCO 34a_100000078944_100000731001 [0,1,0,0,0,0|2,0,0]=3 3012 B15R0.164 NC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731001 [0,1,0,0,0,0|1,0,0]=2 3013 B15R0.164 NC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000744528 [0,1,0,0,0,0|1,0,0]=2 3014 B15R0.164 NC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000731001 [0,1,0,0,0,0|1,1,0]=3 3015 B15R0.164 NC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000744528 [0,1,0,0,0,0|1,1,0]=3 3016 B15R0.164 NC(=O)CCOCCCCCCCCCO 34a_100000757172_100009813782 [0,1,0,0,0,0|2,0,0]=3 3017 B15R0.164 NC(=O)CCOCCCCCCCCCO 7a_100000757172_100009813782 [0,1,0,0,0,0|2,0,0]=3 3018 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100000744528_100009813782 [0,1,0,0,0,0|2,0,0]=3 3019 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100009813782_100000744528 [0,1,0,0,0,0|2,0,0]=3 3020 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747473 [0,1,0,0,0,0|2,0,0]=3 3021 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000711301_100009813290 [0,1,0,0,0,0|2,0,0]=3 3022 B15R0.164 NC(=O)CNCCCCCCCCCCO 34a_100000066964_100000187820 [0,1,0,0,0,0|2,0,0]=3 3023 B15R0.164 NC(=O)COCCCCCCCCCCBr 34a_100009813290_100000187820 [0,1,0,0,0,0|1,0,0]=2 3024 B15R0.164 NC(=O)COCCCCCCCCCCBr 7a_100009813290_100000187820 [0,1,0,0,0,0|1,0,0]=2 3025 B15R0.164 NC(=O)COCCCCCCCCCCCl 34a_200000033068_100000187820 [0,1,0,0,0,0|1,1,0]=3 3026 B15R0.164 NC(=O)COCCCCCCCCCCCl 7a_200000033068_100000187820 [0,1,0,0,0,0|1,1,0]=3 3027 B15R0.164 NC(=O)COCCNCCCCCCCO 2230a_100011996573_100000076697 [0,1,0,0,0,0|3,0,0]=4 3028 B15R0.164 NC(=O)COCCNCCCCCCCO 34a_100011996573_100000076697 [0,1,0,0,0,0|3,0,0]=4 3029 B15R0.164 NC(=O)COCCOCCCCCCCBr 34a_100000760002_100000076697 [0,1,0,0,0,0|2,0,0]=3 3030 B15R0.164 NC(=O)COCCOCCCCCCCBr 7a_100000760002_100000076697 [0,1,0,0,0,0|2,0,0]=3 3031 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000076697_100000760002 [0,1,0,0,0,0|3,0,0]=4 3032 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000760002_100000076697 [0,1,0,0,0,0|3,0,0]=4 3033 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100000747473_200000033068 [0,1,0,0,0,0|2,0,0]=3 3034 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747473 [0,1,0,0,0,0|2,0,0]=3 3035 B15R0.164 NC(=O)NCCNCCCCCCCCO 2230a_102515433106_200000034859 [0,1,0,0,0,0|3,0,0]=4 3036 B15R0.164 NC(=O)NCCNCCCCCCCCO 34a_100020590234_100000033203 [0,1,0,0,0,0|3,0,0]=4 3037 B15R0.164 NC(=O)NCCOCCCCCCCCBr 7a_100009813846_200000034859 [0,1,0,0,0,0|2,0,0]=3 3038 B15R0.164 NC(=O)NCCOCCCCCCCCCl 7a_100000033203_200000034859 [0,1,0,0,0,0|2,1,0]=4 3039 B15R0.164 NC(=O)NCCOCCCCCCCCO 34a_100000181757_100000033203 [0,1,0,0,0,0|3,0,0]=4 3040 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_100000033203_200000034859 [0,1,0,0,0,0|3,0,0]=4 3041 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_200000034859_100000033203 [0,1,0,0,0,0|3,0,0]=4 3042 B15R0.164 NC(=O)OCCNCCCCCCCCO 34a_102515433106_200011214921 [0,1,0,0,0,0|3,0,0]=4 3043 B15R0.164 NC(=O)OCCOCCCCCCCCBr 34a_100009813846_200011214921 [0,1,0,0,0,0|2,0,0]=3 3044 B15R0.164 NC(=O)OCCOCCCCCCCCBr 7a_100009813846_200011214921 [0,1,0,0,0,0|2,0,0]=3 3045 B15R0.164 NC(=O)OCCOCCCCCCCCCl 34a_100000033203_200011214921 [0,1,0,0,0,0|2,1,0]=4 3046 B15R0.164 NC(=O)OCCOCCCCCCCCCl 7a_100000033203_200011214921 [0,1,0,0,0,0|2,1,0]=4 3047 B15R0.164 NC(=O)OCCOCCCCCCCCO 7a_100000766696_100000033203 [0,1,0,0,0,0|3,0,0]=4 3048 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_100000033203_200011214921 [0,1,0,0,0,0|3,0,0]=4 3049 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_200011214921_100000033203 [0,1,0,0,0,0|3,0,0]=4 3050 B15R0.164 NCCCCCCCCCCOCC(=O)N 34a_100000066964_100000187820 [0,1,0,0,0,0|2,0,0]=3 3051 B15R0.164 NCCCCCCCCCCOCC(=O)[O-] 34a_100000066964_100020667443 [0,1,0,0,0,0|1,0,1]=3 3052 B15R0.164 NCCCCCCCCCCOC[N+](=O)[O-] 34a_100000066964_100000761209 [0,1,0,0,0,0|2,0,1]=4 3053 B15R0.164 NCCCCCCCCCOCCC(=O)N 34a_100000078944_100000731001 [0,1,0,0,0,0|2,0,0]=3 3054 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [0,1,0,0,0,0|2,0,0]=3 3055 B15R0.164 NCCCCCCCCOCCOC(=O)N 34a_102515433106_200011214921 [0,1,0,0,0,0|3,0,0]=4 3056 B15R0.164 NCCCCCCCOCCCCB(O)O 34a_100011996573_200009817182 [0,1,0,0,0,0|2,0,1]=4 3057 B15R0.164 NCCCCCCCOCCOCC(=O)N 34a_100011996573_100000076697 [0,1,0,0,0,0|3,0,0]=4 3058 B15R0.164 NCCCCCCOCCCCCB(O)O 34a_100000686447_200009817188 [0,1,0,0,0,0|2,0,1]=4 3059 B15R0.164 NCCCCCCOCCCCCC(=O)N 34a_100000686447_100009817443 [0,1,0,0,0,0|2,0,0]=3 3060 B15R0.164 NCCCCCOCCCCCCB(O)O 34a_100000762737_100009817187 [0,1,0,0,0,0|2,0,1]=4 3061 B15R0.164 NCCNCCCCCOCCCC(=O)N 34a_103619048469_100102525003 [0,1,0,0,0,0|3,0,0]=4 3062 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [0,1,0,0,0,0|1,0,0]=2 3063 B15R0.164 O=C(O)COCCNCCCCCCCO 269956a_100000700818_100000760002 [0,1,0,0,0,0|2,0,0]=3 3064 B15R0.164 O=C(O)COCCOCCNCCCCF 269956a_100009854275_100000729493 [0,1,0,0,0,0|2,1,0]=4 3065 B15R0.164 O=C(O)COCCOCCNCCCCO 269956a_100009854275_100000210776 [0,1,0,0,0,0|3,0,0]=4 3066 B15R0.164 O=C(O)CONCCCCCCCCCO 269956a_100000106656_100009813782 [0,1,0,0,0,0|2,0,0]=3 3067 B15R0.164 O=C([O-])CCCCCOCCCCCCF 7a_100102619762_100015922095 [0,1,0,0,0,0|0,1,1]=3 3068 B15R0.164 O=C([O-])CCCCCOCCCCCCO 7a_100102619762_100000766143 [0,1,0,0,0,0|1,0,1]=3 3069 B15R0.164 O=C([O-])CNCCCCCCCCCCO 34a_100000066964_100020667443 [0,1,0,0,0,0|1,0,1]=3 3070 B15R0.164 O=C([O-])COCCCCCCCCCCBr 34a_100009813290_100020667443 [0,1,0,0,0,0|0,0,1]=2 3071 B15R0.164 O=C([O-])COCCCCCCCCCCCl 34a_200000033068_100020667443 [0,1,0,0,0,0|0,1,1]=3 3072 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100009813290_100020667443 [0,1,0,0,0,0|1,0,1]=3 3073 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100020667443_200000033068 [0,1,0,0,0,0|1,0,1]=3 3074 B15R0.164 O=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139337 [0,1,0,0,0,0|1,0,2]=4 3075 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 34a_200015379883_100000760002 [0,1,0,0,0,0|2,0,1]=4 3076 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 7a_200015379883_100000760002 [0,1,0,0,0,0|2,0,1]=4 3077 B15R0.164 O=[N+]([O-])CCCOCCCCCCCCO 34a_200000037920_100000033203 [0,1,0,0,0,0|2,0,1]=4 3078 B15R0.164 O=[N+]([O-])CNCCCCCCCCCCO 34a_100000066964_100000761209 [0,1,0,0,0,0|2,0,1]=4 3079 B15R0.164 O=[N+]([O-])COCCCCCCCCCCBr 34a_100009813290_100000761209 [0,1,0,0,0,0|1,0,1]=3 3080 B15R0.164 O=[N+]([O-])COCCCCCCCCCCCl 34a_200000033068_100000761209 [0,1,0,0,0,0|1,1,1]=4 3081 B15R0.164 O=[N+]([O-])CSCCCCCCCCCCO 62a_100009813290_100000761209 [0,1,0,0,0,0|2,0,1]=4 3082 B15R0.164 O=[N+]([O-])OCCCCOCCCCCCBr 34a_100011215345_100015694321 [0,1,0,0,0,0|2,0,1]=4 3083 B15R0.164 O=[N+]([O-])OCCCCOCCCCCCBr 7a_100011215345_100015694321 [0,1,0,0,0,0|2,0,1]=4 3084 B15R0.164 OB(O)CCCCCCOCCCCCBr 34a_100000746331_100009817187 [0,1,0,0,0,0|1,0,1]=3 3085 B15R0.164 OB(O)CCCCCCOCCCCCBr 7a_100000746331_100009817187 [0,1,0,0,0,0|1,0,1]=3 3086 B15R0.164 OB(O)CCCCCCOCCCCCCl 34a_100000746330_100009817187 [0,1,0,0,0,0|1,1,1]=4 3087 B15R0.164 OB(O)CCCCCCOCCCCCCl 7a_100000746330_100009817187 [0,1,0,0,0,0|1,1,1]=4 3088 B15R0.164 OB(O)CCCCCCOCCCCCI 34a_200012148887_100009817187 [0,1,0,0,0,0|1,1,1]=4 3089 B15R0.164 OB(O)CCCCCCOCCCCCI 7a_200012148887_100009817187 [0,1,0,0,0,0|1,1,1]=4 3090 B15R0.164 OB(O)CCCCCCOCCOCCBr 34a_100000692535_100009817187 [0,1,0,0,0,0|2,0,1]=4 3091 B15R0.164 OB(O)CCCCCCOCCOCCBr 7a_100000692535_100009817187 [0,1,0,0,0,0|2,0,1]=4 3092 B15R0.164 OB(O)CCCCCCSCCCCCF 62a_100000729378_100009817187 [0,1,0,0,0,0|1,1,1]=4 3093 B15R0.164 OB(O)CCCCCCSCCCCCF 62a_100009817187_100000729378 [0,1,0,0,0,0|1,1,1]=4 3094 B15R0.164 OB(O)CCCCCOCCCCCCBr 34a_100011215345_200009817188 [0,1,0,0,0,0|1,0,1]=3 3095 B15R0.164 OB(O)CCCCCOCCCCCCBr 7a_100011215345_200009817188 [0,1,0,0,0,0|1,0,1]=3 3096 B15R0.164 OB(O)CCCCCOCCCCCCCl 34a_100000766143_200009817188 [0,1,0,0,0,0|1,1,1]=4 3097 B15R0.164 OB(O)CCCCCOCCCCCCCl 7a_100000766143_200009817188 [0,1,0,0,0,0|1,1,1]=4 3098 B15R0.164 OB(O)CCCCCOCCCCCCF 34a_100000732779_200009817188 [0,1,0,0,0,0|1,1,1]=4 3099 B15R0.164 OB(O)CCCCCOCCCCCCF 7a_100000732779_200009817188 [0,1,0,0,0,0|1,1,1]=4 3100 B15R0.164 OB(O)CCCCCSCCCCCCF 62a_100015922095_200009817188 [0,1,0,0,0,0|1,1,1]=4 3101 B15R0.164 OB(O)CCCCCSCCCCCCF 62a_200009817188_100015922095 [0,1,0,0,0,0|1,1,1]=4 3102 B15R0.164 OB(O)CCCCOCCCCCCCBr 34a_100000760002_200009817182 [0,1,0,0,0,0|1,0,1]=3 3103 B15R0.164 OB(O)CCCCOCCCCCCCBr 7a_100000760002_200009817182 [0,1,0,0,0,0|1,0,1]=3 3104 B15R0.164 OCCCCCCCNCCCCB(O)O 2230a_100011996573_200009817182 [0,1,0,0,0,0|2,0,1]=4 3105 B15R0.164 OCCCCCCCNCCCCB(O)O 34a_100011996573_200009817182 [0,1,0,0,0,0|2,0,1]=4 3106 B15R0.164 OCCCCCCCSCCCCB(O)O 62a_100000760002_200009817182 [0,1,0,0,0,0|2,0,1]=4 3107 B15R0.164 OCCCCCCCSCCCCB(O)O 62a_200009817182_100000760002 [0,1,0,0,0,0|2,0,1]=4 3108 B15R0.164 OCCCCCCNCCCCCB(O)O 2230a_100000686447_200009817188 [0,1,0,0,0,0|2,0,1]=4 3109 B15R0.164 OCCCCCCNCCCCCB(O)O 34a_100000686447_200009817188 [0,1,0,0,0,0|2,0,1]=4 3110 B15R0.164 OCCCCCCSCCCCCB(O)O 62a_100000766143_200009817188 [0,1,0,0,0,0|2,0,1]=4 3111 B15R0.164 OCCCCCCSCCCCCB(O)O 62a_200009817188_100000766143 [0,1,0,0,0,0|2,0,1]=4 3112 B15R0.164 OCCCCCNCCCCCCB(O)O 2230a_100000762737_100009817187 [0,1,0,0,0,0|2,0,1]=4 3113 B15R0.164 OCCCCCNCCCCCCB(O)O 34a_100000762737_100009817187 [0,1,0,0,0,0|2,0,1]=4 3114 B15R0.164 OCCCCCSCCCCCCB(O)O 62a_100000746330_100009817187 [0,1,0,0,0,0|2,0,1]=4 3115 B15R0.164 OCCCCCSCCCCCCB(O)O 62a_100009817187_100000746330 [0,1,0,0,0,0|2,0,1]=4 3116 B15R0.193 CCCCCCC(=O)CCCCCC(=O)N 1458a_100102632555_100009817443 [0,1,0,0,0,0|2,0,1]=4 3117 B15R0.193 CCCCCCC(C)CCOCCC(=O)C 7a_200011024964_100000053229 [0,1,0,0,0,0|3,0,0]=4 3118 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 34a_200011024964_100000731001 [0,1,0,0,0,0|3,0,0]=4 3119 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 7a_200011024964_100000744528 [0,1,0,0,0,0|3,0,0]=4 3120 B15R0.193 CCCCCCC(C)NCCCCC(=O)C 34a_100000210919_100009817362 [0,1,0,0,0,0|3,0,0]=4 3121 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210826 [0,1,0,0,0,0|3,0,0]=4 3122 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 34a_100000696515_100011215978 [0,1,0,0,0,0|3,0,0]=4 3123 B15R0.193 CCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_100011215978 [0,1,0,0,0,0|3,0,0]=4 3124 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 34a_100000210265_100009817362 [0,1,0,0,0,0|3,0,0]=4 3125 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 7a_100000210265_100000735457 [0,1,0,0,0,0|3,0,0]=4 3126 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 34a_100012022536_100011215978 [0,1,0,0,0,0|3,0,0]=4 3127 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 7a_100012022536_100011215978 [0,1,0,0,0,0|3,0,0]=4 3128 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100000735457_100011215978 [0,1,0,0,0,0|3,0,0]=4 3129 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100011215978_100000735457 [0,1,0,0,0,0|3,0,0]=4 3130 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 2230a_106256046315_100009817443 [0,1,0,0,0,0|3,0,0]=4 3131 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 269982a_106256046315_100009817443 [0,1,0,0,0,0|3,0,0]=4 3132 B15R0.193 CN(CCCCCO)CCCCCC(=O)N 2230a_100000722520_100009817443 [0,1,0,0,0,0|3,0,0]=4 3133 B15R0.193 CN(CCCCCO)CCCCCC(=O)N 269982a_100000722520_100009817443 [0,1,0,0,0,0|3,0,0]=4 3134 B15R0.193 NC(=O)CCCCCC(=O)CCCCCO 1458a_100102619762_100009817443 [0,1,0,0,0,0|2,0,1]=4 3135 B15R0.210 CCCCC(C)CCCCOCCC(=O)C 7a_200011021034_100000053229 [0,1,0,0,0,0|3,0,0]=4 3136 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 34a_200011021034_100000731001 [0,1,0,0,0,0|3,0,0]=4 3137 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 7a_200011021034_100000744528 [0,1,0,0,0,0|3,0,0]=4 3138 B15R0.210 CCCCC(C)COCCCCCC(=O)N 34a_100011995851_100009817443 [0,1,0,0,0,0|3,0,0]=4 3139 B15R0.210 CCCCC(C)COCCCCCC(=O)N 7a_100011995851_100009817443 [0,1,0,0,0,0|3,0,0]=4 3140 B15R0.210 CCCC[C@H](N)COCCCCCC(=O)N 34a_100011934283_100009817443 [0,1,0,0,0,0|3,0,0]=4 3141 B15R0.210 C[C@H](CCCO)CNCCCCCC(=O)N 2230a_100160569302_100009817443 [0,1,0,0,0,0|3,0,0]=4 3142 B15R0.210 C[C@H](CCCO)CNCCCCCC(=O)N 34a_100160569302_100009817443 [0,1,0,0,0,0|3,0,0]=4 3143 B15R0.222 CC(=O)CCCCCCCCCCC(=O)N 1458a_100000070787_200010167045 [0,1,0,0,0,0|2,0,1]=4 3144 B15R0.222 CC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100009817362 [0,1,0,0,0,0|3,0,0]=4 3145 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100009817362 [0,1,0,0,0,0|3,0,0]=4 3146 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000735457 [0,1,0,0,0,0|3,0,0]=4 3147 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000735457 [0,1,0,0,0,0|3,0,0]=4 3148 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000735457_100000210682 [0,1,0,0,0,0|3,0,0]=4 3149 B15R0.222 CC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000685027 [0,1,0,0,0,0|3,0,0]=4 3150 B15R0.222 CC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000053229 [0,1,0,0,0,0|3,0,0]=4 3151 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 34a_200000210741_100000731001 [0,1,0,0,0,0|3,0,0]=4 3152 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 7a_200000210741_100000744528 [0,1,0,0,0,0|3,0,0]=4 3153 B15R0.222 CC(C)CCCCCCNCCCC(=O)N 34a_100000211014_100102525003 [0,1,0,0,0,0|3,0,0]=4 3154 B15R0.222 CC(C)CCCCCNCCCCC(=O)N 34a_100000696515_100000210682 [0,1,0,0,0,0|3,0,0]=4 3155 B15R0.222 CC(C)CCCCCNCCOCC(=O)O 269956a_100000700818_100000210682 [0,1,0,0,0,0|3,0,0]=4 3156 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 34a_100012022536_100000210682 [0,1,0,0,0,0|3,0,0]=4 3157 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 7a_100012022536_100000210682 [0,1,0,0,0,0|3,0,0]=4 3158 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100000123541_100011216152 [0,1,0,0,0,0|3,0,0]=4 3159 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100011214890_100009817443 [0,1,0,0,0,0|3,0,0]=4 3160 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100000123541_100011216152 [0,1,0,0,0,0|3,0,0]=4 3161 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100011214890_100009817443 [0,1,0,0,0,0|3,0,0]=4 3162 B15R0.222 CC(C)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011216152 [0,1,0,0,0,0|2,0,1]=4 3163 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100009817443_100011216152 [0,1,0,0,0,0|3,0,0]=4 3164 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100011216152_100009817443 [0,1,0,0,0,0|3,0,0]=4 3165 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 2230a_100102631434_200010167045 [0,1,0,0,0,0|3,0,0]=4 3166 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 269982a_100102631434_200010167045 [0,1,0,0,0,0|3,0,0]=4 3167 B15R0.234 CC(=O)CCCCOC[C@@H](N)CCCCN 34a_100016993712_100009817362 [0,1,0,0,0,0|3,0,0]=4 3168 B15R0.234 CCCCCC(C)NCCCCCC(=O)N 2230a_100000211957_100009817443 [0,1,0,0,0,0|3,0,0]=4 3169 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011218191 [0,1,0,0,0,0|3,0,0]=4 3170 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100011215632_100009817443 [0,1,0,0,0,0|3,0,0]=4 3171 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011218191 [0,1,0,0,0,0|3,0,0]=4 3172 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100011215632_100009817443 [0,1,0,0,0,0|3,0,0]=4 3173 B15R0.234 CCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011218191 [0,1,0,0,0,0|2,0,1]=4 3174 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011218191 [0,1,0,0,0,0|3,0,0]=4 3175 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_200011218191_100009817443 [0,1,0,0,0,0|3,0,0]=4 3176 B15R0.247 CCC(C)CCCCCOCCCC(=O)C 7a_200000035636_100011215641 [0,1,0,0,0,0|3,0,0]=4 3177 B15R0.247 CCC(C)CCCCCOCCCC(=O)N 7a_200000035636_100102525003 [0,1,0,0,0,0|3,0,0]=4 3178 B15R0.247 CCC(C)CCCOCCCCCC(=O)N 7a_100011216074_100009817443 [0,1,0,0,0,0|3,0,0]=4 3179 B15R0.247 C[C@@H](CN)CCCOCCCCCC(=O)N 34a_100160569302_100009817443 [0,1,0,0,0,0|3,0,0]=4 3180 B15R0.252 CC(C)(O)CCCCCOCCCCCBr 34a_100000746331_100010402123 [0,1,0,0,0,0|2,0,1]=4 3181 B15R0.252 CC(C)(O)CCCCCOCCCCCBr 7a_100000746331_100010402123 [0,1,0,0,0,0|2,0,1]=4 3182 B15R0.252 CC(C)(O)CCCOCCCCCCCBr 34a_100000760002_100009888830 [0,1,0,0,0,0|2,0,1]=4 3183 B15R0.252 CC(C)(O)CCCOCCCCCCCBr 7a_100000760002_100009888830 [0,1,0,0,0,0|2,0,1]=4 3184 B15R0.252 CC(C)(O)CCOCCCCCCCCBr 34a_100009813846_100000702414 [0,1,0,0,0,0|2,0,1]=4 3185 B15R0.252 CC(C)(O)CCOCCCCCCCCBr 7a_100009813846_100000702414 [0,1,0,0,0,0|2,0,1]=4 3186 B15R0.252 CC(C)(O)COCCCCCCCCCBr 34a_100009813782_100000764493 [0,1,0,0,0,0|2,0,1]=4 3187 B15R0.252 CC(C)(O)COCCCCCCCCCBr 7a_100009813782_100000764493 [0,1,0,0,0,0|2,0,1]=4 3188 B15R0.252 CS(=O)(=O)CCCOCCCCCCCBr 34a_100000760002_100000754308 [0,1,0,0,0,0|2,0,1]=4 3189 B15R0.252 CS(=O)(=O)CCCOCCCCCCCBr 7a_100000760002_100000754308 [0,1,0,0,0,0|2,0,1]=4 3190 B15R0.252 CS(=O)(=O)CCOCCCCCCCCBr 34a_100009813846_100000731031 [0,1,0,0,0,0|2,0,1]=4 3191 B15R0.252 CS(=O)(=O)CCOCCCCCCCCBr 7a_100009813846_100000230027 [0,1,0,0,0,0|2,0,1]=4 3192 B15R0.252 NS(=O)(=O)CCCOCCCCCCCBr 34a_100000760002_100000750626 [0,1,0,0,0,0|2,0,1]=4 3193 B15R0.252 NS(=O)(=O)CCCOCCCCCCCBr 7a_100000760002_100000750626 [0,1,0,0,0,0|2,0,1]=4 3194 B15R0.252 O=S(=O)([O-])CCCOCCCCCCCBr 34a_100000760002_100009813499 [0,1,0,0,0,0|2,0,1]=4 3195 B15R0.252 O=S(=O)([O-])CCOCCCCCCCCBr 34a_100009813846_100000762736 [0,1,0,0,0,0|2,0,1]=4 3196 B15R0.252 O=S(=O)([O-])COCCCCCCCCCBr 34a_100009813782_100009817235 [0,1,0,0,0,0|2,0,1]=4 3197 B15R0.367 C#CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100012276617 [0,1,0,0,0,0|2,0,1]=4 3198 B15R0.367 C=CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215473 [0,1,0,0,0,0|2,0,1]=4 3199 B15R0.367 CC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100011215641 [0,1,0,0,0,0|2,0,1]=4 3200 B15R0.367 CC(CCCC(=O)[O-])OCCCCCCF 7a_100000761597_100015922095 [0,1,0,0,0,0|1,1,1]=4 3201 B15R0.367 CC(CCCC(=O)[O-])OCCCCCCO 7a_100000761597_100000766143 [0,1,0,0,0,0|2,0,1]=4 3202 B15R0.367 CCCCCCCCC(=O)CCCC(=O)C 1458a_100000210188_100011215641 [0,1,0,0,0,0|2,0,1]=4 3203 B15R0.367 CCCCCCCCC(=O)CCCC(=O)N 1458a_100000210188_100102525003 [0,1,0,0,0,0|2,0,1]=4 3204 B15R0.367 CCCCCCCCC(C)COCC(=O)N 34a_200012125181_100000187820 [0,1,0,0,0,0|3,0,0]=4 3205 B15R0.367 CCCCCCCCC(C)COCC(=O)N 7a_200012125181_100000187820 [0,1,0,0,0,0|3,0,0]=4 3206 B15R0.367 CCCCCCCCC(C)COCC(=O)[O-] 34a_200012125181_100020667443 [0,1,0,0,0,0|2,0,1]=4 3207 B15R0.367 CCCCCCCCC(C)OCCC(=O)C 7a_100000210740_100000053229 [0,1,0,0,0,0|3,0,0]=4 3208 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 34a_100000210740_100000731001 [0,1,0,0,0,0|3,0,0]=4 3209 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 7a_100000210740_100000744528 [0,1,0,0,0,0|3,0,0]=4 3210 B15R0.367 CCCCCCCCN(C)CCCC(=O)C 269982a_100000207567_100011215641 [0,1,0,0,0,0|3,0,0]=4 3211 B15R0.367 CCCCCCCCN(C)CCCC(=O)N 269982a_100000207567_100102525003 [0,1,0,0,0,0|3,0,0]=4 3212 B15R0.367 CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210759 [0,1,0,0,0,0|2,0,0]=3 3213 B15R0.367 CCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210614 [0,1,0,0,0,0|2,0,1]=4 3214 B15R0.367 CN(CCCCCCC#N)CCCC(=O)O 269956a_100000719178_100009813337 [0,1,0,0,0,0|2,0,1]=4 3215 B15R0.367 CN(CCCCCCCO)CCCC(=O)O 269956a_100000719178_100000760002 [0,1,0,0,0,0|2,0,0]=3 3216 B15R0.367 COCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011998445 [0,1,0,0,0,0|3,0,0]=4 3217 B15R0.367 NC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100102525003 [0,1,0,0,0,0|2,0,1]=4 3218 B15R1.34 CCCCCCCCNC1COC(=O)O1 34a_100000229939_100000032252 [0,0,0,1,0,0|3,0,0]=4 3219 B15R1.34 CCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210759 [0,0,0,1,0,0|3,0,0]=4 3220 B15R1.34 CCCCCCCCOC1COC(=O)O1 34a_100000210232_100000032252 [0,0,0,1,0,0|3,0,0]=4 3221 B15R1.34 CCCCCCCCSC1COC(=O)O1 62a_100000210759_100000032252 [0,0,0,1,0,0|3,0,0]=4 3222 B15R1.34 CCCCCCCNCC1CNC(=O)O1 2230a_100000229938_100000181169 [0,0,0,1,0,0|3,0,0]=4 3223 B15R1.34 CCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229938_100015189358 [0,0,0,1,0,0|3,0,0]=4 3224 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210681 [0,0,0,1,0,0|3,0,0]=4 3225 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210614 [0,0,0,1,0,0|3,0,0]=4 3226 B15R1.34 CCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210614 [0,0,0,1,0,0|3,0,0]=4 3227 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100000210272_100000181169 [0,0,0,1,0,0|3,0,0]=4 3228 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210614 [0,0,0,1,0,0|3,0,0]=4 3229 B15R1.34 CCCCCCCOCC1CNC(=O)O1 7a_100000210272_100000181169 [0,0,0,1,0,0|3,0,0]=4 3230 B15R1.34 CCCCCCCOCC1COC(=O)O1 34a_100000210272_100000073702 [0,0,0,1,0,0|3,0,0]=4 3231 B15R1.34 CCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210272_100015189358 [0,0,0,1,0,0|3,0,0]=4 3232 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210316 [0,0,0,1,0,0|3,0,0]=4 3233 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000210614_100000181169 [0,0,0,1,0,0|3,0,0]=4 3234 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210316 [0,0,0,1,0,0|3,0,0]=4 3235 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000210614_100000073702 [0,0,0,1,0,0|3,0,0]=4 3236 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210614_100015189358 [0,0,0,1,0,0|3,0,0]=4 3237 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210316 [0,0,0,1,0,0|3,0,0]=4 3238 B15R1.34 NCCCCCCCOC1COC(=O)O1 34a_100011996573_100000032252 [0,0,0,1,0,0|3,0,0]=4 3239 B15R1.34 NCCCCCCOCC1CNC(=O)O1 34a_100000686447_100000181169 [0,0,0,1,0,0|3,0,0]=4 3240 B15R1.34 NCCCCCCOCC1COC(=O)O1 34a_100000686447_100000073702 [0,0,0,1,0,0|3,0,0]=4 3241 B15R1.34 O=C1CCC(C1)OCCCCCCCO 34a_100012614533_100000760002 [0,0,0,1,0,0|3,0,0]=4 3242 B15R1.34 O=C1CCC(N1)COCCCCCCF 34a_100000737831_100015922095 [0,0,0,1,0,0|2,1,0]=4 3243 B15R1.34 O=C1CCC(N1)COCCCCCCO 34a_100000737831_100000766143 [0,0,0,1,0,0|3,0,0]=4 3244 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 2230a_100015423886_100015922095 [0,0,0,1,0,0|2,1,0]=4 3245 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 34a_100015423886_100015922095 [0,0,0,1,0,0|2,1,0]=4 3246 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 2230a_100015423886_100000766143 [0,0,0,1,0,0|3,0,0]=4 3247 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 34a_100015423886_100000766143 [0,0,0,1,0,0|3,0,0]=4 3248 B15R1.34 O=C1CC[C@H](N1)CNCCCCCCO 2230a_100000686447_100015189358 [0,0,0,1,0,0|3,0,0]=4 3249 B15R1.34 O=C1CC[C@H](N1)COCCCCCCBr 7a_100011215345_100015189358 [0,0,0,1,0,0|2,0,0]=3 3250 B15R1.34 O=C1CC[C@H](N1)COCCCCCCCl 7a_100000766143_100015189358 [0,0,0,1,0,0|2,1,0]=4 3251 B15R1.34 O=C1CC[C@H](N1)COCCCCCCF 7a_100000732779_100015189358 [0,0,0,1,0,0|2,1,0]=4 3252 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015189358_100015922095 [0,0,0,1,0,0|2,1,0]=4 3253 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015922095_100015189358 [0,0,0,1,0,0|2,1,0]=4 3254 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100000766143_100015189358 [0,0,0,1,0,0|3,0,0]=4 3255 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100015189358_100000766143 [0,0,0,1,0,0|3,0,0]=4 3256 B15R1.34 O=C1NCC(O1)CNCCCCCCO 2230a_100000686447_100000181169 [0,0,0,1,0,0|3,0,0]=4 3257 B15R1.34 O=C1NCC(O1)CNCCCCCCO 34a_100000686447_100000181169 [0,0,0,1,0,0|3,0,0]=4 3258 B15R1.34 O=C1NCC(O1)COCCCCCCBr 34a_100011215345_100000181169 [0,0,0,1,0,0|2,0,0]=3 3259 B15R1.34 O=C1NCC(O1)COCCCCCCBr 7a_100011215345_100000181169 [0,0,0,1,0,0|2,0,0]=3 3260 B15R1.34 O=C1NCC(O1)COCCCCCCCl 34a_100000766143_100000181169 [0,0,0,1,0,0|2,1,0]=4 3261 B15R1.34 O=C1NCC(O1)COCCCCCCCl 7a_100000766143_100000181169 [0,0,0,1,0,0|2,1,0]=4 3262 B15R1.34 O=C1NCC(O1)COCCCCCCF 34a_100000732779_100000181169 [0,0,0,1,0,0|2,1,0]=4 3263 B15R1.34 O=C1NCC(O1)COCCCCCCF 34a_100011315639_100015922095 [0,0,0,1,0,0|2,1,0]=4 3264 B15R1.34 O=C1NCC(O1)COCCCCCCF 7a_100000732779_100000181169 [0,0,0,1,0,0|2,1,0]=4 3265 B15R1.34 O=C1NCC(O1)COCCCCCCO 34a_100011315639_100000766143 [0,0,0,1,0,0|3,0,0]=4 3266 B15R1.34 O=C1NCC(O1)CSCCCCCCF 62a_100000181169_100015922095 [0,0,0,1,0,0|2,1,0]=4 3267 B15R1.34 O=C1NCC(O1)CSCCCCCCF 62a_100015922095_100000181169 [0,0,0,1,0,0|2,1,0]=4 3268 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000181169_100000766143 [0,0,0,1,0,0|3,0,0]=4 3269 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000766143_100000181169 [0,0,0,1,0,0|3,0,0]=4 3270 B15R1.34 O=C1N[C@H](CO1)COCCCCCCBr 34a_100011215345_100015307671 [0,0,0,1,0,0|3,0,0]=4 3271 B15R1.34 O=C1N[C@H](CO1)COCCCCCCBr 7a_100011215345_100015307671 [0,0,0,1,0,0|3,0,0]=4 3272 B15R1.34 O=C1OCC(O1)CNCCCCCCO 34a_100000686447_100000073702 [0,0,0,1,0,0|3,0,0]=4 3273 B15R1.34 O=C1OCC(O1)COCCCCCCBr 34a_100011215345_100000073702 [0,0,0,1,0,0|2,0,0]=3 3274 B15R1.34 O=C1OCC(O1)COCCCCCCCl 34a_100000766143_100000073702 [0,0,0,1,0,0|2,1,0]=4 3275 B15R1.34 O=C1OCC(O1)COCCCCCCF 34a_100000732779_100000073702 [0,0,0,1,0,0|2,1,0]=4 3276 B15R1.34 O=C1OCC(O1)CSCCCCCCF 62a_100000073702_100015922095 [0,0,0,1,0,0|2,1,0]=4 3277 B15R1.34 O=C1OCC(O1)CSCCCCCCF 62a_100015922095_100000073702 [0,0,0,1,0,0|2,1,0]=4 3278 B15R1.34 O=C1OCC(O1)CSCCCCCCO 62a_100000073702_100000766143 [0,0,0,1,0,0|3,0,0]=4 3279 B15R1.34 O=C1OCC(O1)CSCCCCCCO 62a_100000766143_100000073702 [0,0,0,1,0,0|3,0,0]=4 3280 B15R1.34 O=C1OCC(O1)NCCCCCCCO 34a_100011996573_100000032252 [0,0,0,1,0,0|3,0,0]=4 3281 B15R1.34 O=C1OCC(O1)OCCCCCCCBr 34a_100000760002_100000032252 [0,0,0,1,0,0|2,0,0]=3 3282 B15R1.34 O=C1OCC(O1)SCCCCCCCO 62a_100000760002_100000032252 [0,0,0,1,0,0|3,0,0]=4 3283 B15R1.34 O=S1OCC(O1)CCOCCCCCBr 7a_100000746331_100009840081 [0,0,0,1,0,0|3,0,0]=4 3284 B15R1.84 CC(=O)CCCCN1CCCCC1CO 269982a_100000210821_100000735457 [0,0,0,1,0,0|3,0,0]=4 3285 B15R1.84 CC(=O)CCCCN1CCCCC1CO 34a_100000210821_100009817362 [0,0,0,1,0,0|3,0,0]=4 3286 B15R1.84 CC(=O)CCCOC1CCCCC1CN 34a_100011216029_100000685027 [0,0,0,1,0,0|3,0,0]=4 3287 B15R1.84 CCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000757040 [0,0,0,1,0,0|3,0,0]=4 3288 B15R1.84 CCC1CCCCC1OCCCC(=O)C 34a_100000210738_100000685027 [0,0,0,1,0,0|3,0,0]=4 3289 B15R1.84 CCC1CCCCC1OCCCC(=O)C 7a_100000210738_100011215641 [0,0,0,1,0,0|3,0,0]=4 3290 B15R1.84 CCC1CCCCC1OCCCC(=O)N 34a_100000210738_100102525003 [0,0,0,1,0,0|3,0,0]=4 3291 B15R1.84 CCC1CCCCC1OCCCC(=O)N 7a_100000210738_100102525003 [0,0,0,1,0,0|3,0,0]=4 3292 B15R1.84 CCC1CCCCN1CCCCC(=O)C 269982a_100000210034_100000735457 [0,0,0,1,0,0|3,0,0]=4 3293 B15R1.84 CCC1CCCCN1CCCCC(=O)C 34a_100000210034_100009817362 [0,0,0,1,0,0|3,0,0]=4 3294 B15R1.84 NCC1CCCCC1OCCCC(=O)N 34a_100011216029_100102525003 [0,0,0,1,0,0|3,0,0]=4 3295 B15R1.95 CCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000749056 [0,0,0,1,0,0|3,0,0]=4 3296 B15R1.95 CCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000749056 [0,0,0,1,0,0|3,0,0]=4 3297 B15R1.95 CCC1CCCN1CCCCCC(=O)N 2230a_100000754278_100009817443 [0,0,0,1,0,0|3,0,0]=4 3298 B15R1.95 CCC1CCCN1CCCCCC(=O)N 269982a_100000754278_100009817443 [0,0,0,1,0,0|3,0,0]=4 3299 B15R1.95 CCC1CCCN1CCCCCC(=O)N 34a_100000754278_100009817443 [0,0,0,1,0,0|3,0,0]=4 3300 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009817443 [0,0,0,1,0,0|3,0,0]=4 3301 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009817443 [0,0,0,1,0,0|3,0,0]=4 3302 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 34a_100000745186_100009817443 [0,0,0,1,0,0|3,0,0]=4 3303 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [0,0,0,1,0,0|3,0,0]=4 3304 B15R1.106 CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210314 [0,0,0,1,0,0|3,0,0]=4 3305 B15R1.106 O=C1CCCC(C1)OCCCCCCF 34a_100012613340_100015922095 [0,0,0,1,0,0|2,1,0]=4 3306 B15R1.106 O=C1CCCC(C1)OCCCCCCO 34a_100012613340_100000766143 [0,0,0,1,0,0|3,0,0]=4 3307 B15R1.106 O=C1CCCC(N1)COCCCCCF 34a_200000102386_100000729378 [0,0,0,1,0,0|2,1,0]=4 3308 B15R1.106 O=C1CCCC(N1)COCCCCCO 34a_200000102386_100000746330 [0,0,0,1,0,0|3,0,0]=4 3309 B15R1.131 CC(=O)CCCCNC1CCCCC1C 34a_100000211402_100009817362 [0,0,0,1,0,0|3,0,0]=4 3310 B15R1.131 CC(=O)CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817362 [0,0,0,1,0,0|2,1,0]=4 3311 B15R1.131 CC(=O)CCCCOC1CCCCC1C 34a_100000211207_100009817362 [0,0,0,1,0,0|3,0,0]=4 3312 B15R1.131 CC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000735457 [0,0,0,1,0,0|3,0,0]=4 3313 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 34a_100000038908_100009817362 [0,0,0,1,0,0|2,1,0]=4 3314 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 7a_100000038908_100000735457 [0,0,0,1,0,0|2,1,0]=4 3315 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817362 [0,0,0,1,0,0|2,1,0]=4 3316 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000735457 [0,0,0,1,0,0|2,1,0]=4 3317 B15R1.131 CC(=O)CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817362 [0,0,0,1,0,0|3,0,0]=4 3318 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100000735457_100015423560 [0,0,0,1,0,0|2,1,0]=4 3319 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100015423560_100000735457 [0,0,0,1,0,0|2,1,0]=4 3320 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000038908_100000735457 [0,0,0,1,0,0|3,0,0]=4 3321 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000735457_100000038908 [0,0,0,1,0,0|3,0,0]=4 3322 B15R1.131 CC(=O)CCCNCC1CCCCC1O 34a_100011216029_100000685027 [0,0,0,1,0,0|3,0,0]=4 3323 B15R1.131 CC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000210921 [0,0,0,1,0,0|3,0,0]=4 3324 B15R1.131 CC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000210921 [0,0,0,1,0,0|3,0,0]=4 3325 B15R1.131 CC1CCCCN1CCCCCC(=O)N 2230a_100000211376_100009817443 [0,0,0,1,0,0|3,0,0]=4 3326 B15R1.131 CC1CCCCN1CCCCCC(=O)N 269982a_100000211376_100009817443 [0,0,0,1,0,0|3,0,0]=4 3327 B15R1.131 CC1CCCCN1CCCCCC(=O)N 34a_100000211376_100009817443 [0,0,0,1,0,0|3,0,0]=4 3328 B15R1.131 NC(=O)CCCCNC1CCCCC1F 34a_100000696515_100015423560 [0,0,0,1,0,0|2,1,0]=4 3329 B15R1.131 NC(=O)CCCCNC1CCCCC1O 34a_100000696515_100000038908 [0,0,0,1,0,0|3,0,0]=4 3330 B15R1.131 NC(=O)CCCCOC1CCCCC1F 34a_100012022536_100015423560 [0,0,0,1,0,0|2,1,0]=4 3331 B15R1.131 NC(=O)CCCCOC1CCCCC1O 34a_100012022536_100000038908 [0,0,0,1,0,0|3,0,0]=4 3332 B15R1.131 NC(=O)CCCNCC1CCCCC1O 34a_100011216029_100102525003 [0,0,0,1,0,0|3,0,0]=4 3333 B15R1.131 O=C(O)COCCNC1CCCCC1F 269956a_100000700818_100015423560 [0,0,0,1,0,0|2,1,0]=4 3334 B15R1.131 O=C(O)COCCNC1CCCCC1O 269956a_100000700818_100000038908 [0,0,0,1,0,0|3,0,0]=4 3335 B15R1.241 C#CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100010269958 [0,0,0,1,0,0|2,0,1]=4 3336 B15R1.241 C#CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215417 [0,0,0,1,0,0|2,0,1]=4 3337 B15R1.241 C=CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215482 [0,0,0,1,0,0|2,0,1]=4 3338 B15R1.241 C=CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011713584 [0,0,0,1,0,0|2,0,1]=4 3339 B15R1.241 CCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210314 [0,0,0,1,0,0|3,0,0]=4 3340 B15R1.241 CCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210757 [0,0,0,1,0,0|3,0,0]=4 3341 B15R1.241 CCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210314 [0,0,0,1,0,0|3,0,0]=4 3342 B15R1.241 CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210757 [0,0,0,1,0,0|2,0,0]=3 3343 B15R1.241 CCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210757 [0,0,0,1,0,0|3,0,0]=4 3344 B15R1.241 CCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210757 [0,0,0,1,0,0|3,0,0]=4 3345 B15R1.241 CCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210757 [0,0,0,1,0,0|3,0,0]=4 3346 B15R1.241 CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210326 [0,0,0,1,0,0|2,0,0]=3 3347 B15R1.241 CCCCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011995733 [0,0,0,1,0,0|3,0,0]=4 3348 B15R1.241 CCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215938 [0,0,0,1,0,0|3,0,0]=4 3349 B15R1.241 CCOCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012232248 [0,0,0,1,0,0|3,0,0]=4 3350 B15R1.241 CCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210147 [0,0,0,1,0,0|3,0,0]=4 3351 B15R1.241 CCSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000757381 [0,0,0,1,0,0|3,0,0]=4 3352 B15R1.241 COCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730899 [0,0,0,1,0,0|3,0,0]=4 3353 B15R1.241 COCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000740836 [0,0,0,1,0,0|3,0,0]=4 3354 B15R1.241 N#CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011219923 [0,0,0,1,0,0|2,0,1]=4 3355 B15R1.241 N#CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000687738 [0,0,0,1,0,0|2,0,1]=4 3356 B15R1.241 NC(=O)C1CCCCN1CCCCCF 2230a_100000181395_100000729378 [0,0,0,1,0,0|2,1,0]=4 3357 B15R1.241 NC(=O)C1CCCCN1CCCCCF 269982a_100000181395_100000729378 [0,0,0,1,0,0|2,1,0]=4 3358 B15R1.241 NC(=O)C1CCCCN1CCCCCF 34a_100000181395_100000729378 [0,0,0,1,0,0|2,1,0]=4 3359 B15R1.241 NC(=O)C1CCCCN1CCCCCO 2230a_100000181395_100000746330 [0,0,0,1,0,0|3,0,0]=4 3360 B15R1.241 NC(=O)C1CCCCN1CCCCCO 269982a_100000181395_100000746330 [0,0,0,1,0,0|3,0,0]=4 3361 B15R1.241 NC(=O)C1CCCCN1CCCCCO 34a_100000181395_100000746330 [0,0,0,1,0,0|3,0,0]=4 3362 B15R1.241 O=C(O)C1CCSCN1CCCCCF 269956a_100015185162_100000729378 [0,0,0,1,0,0|2,1,0]=4 3363 B15R1.241 O=C(O)C1CCSCN1CCCCCO 269956a_100015185162_100000746330 [0,0,0,1,0,0|3,0,0]=4 3364 B15R1.241 O=C(O)C1CSCCN1CCCCCF 269956a_100011346106_100000729378 [0,0,0,1,0,0|2,1,0]=4 3365 B15R1.241 O=C(O)C1CSCCN1CCCCCO 269956a_100011346106_100000746330 [0,0,0,1,0,0|3,0,0]=4 3366 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCF 269956a_100009816435_100000729493 [0,0,0,1,0,0|1,1,0]=3 3367 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCO 269956a_100009816435_100000210776 [0,0,0,1,0,0|2,0,0]=3 3368 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCF 269956a_100000763471_100000729378 [0,0,0,1,0,0|1,1,0]=3 3369 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCO 269956a_100000763471_100000746330 [0,0,0,1,0,0|2,0,0]=3 3370 B15R1.241 O=C(O)[C@H]1CCCCN1CCOCCO 269956a_100000763471_100011215305 [0,0,0,1,0,0|3,0,0]=4 3371 B15R1.241 O=C(O)[C@H]1COCCN1CCCCCF 269956a_100016993156_100000729378 [0,0,0,1,0,0|2,1,0]=4 3372 B15R1.241 O=C(O)[C@H]1COCCN1CCCCCO 269956a_100016993156_100000746330 [0,0,0,1,0,0|3,0,0]=4 3373 B15R1.241 O=CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000139335 [0,0,0,1,0,0|2,0,1]=4 3374 B15R1.241 O=CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200011292268 [0,0,0,1,0,0|2,0,1]=4 3375 B15R1.255 CC1CCCC1OCCCCCC(=O)N 34a_100011216460_100009817443 [0,0,0,1,0,0|3,0,0]=4 3376 B15R1.255 CC1CCCC1OCCCCCC(=O)N 7a_100011216460_100009817443 [0,0,0,1,0,0|3,0,0]=4 3377 B15R1.255 NC(=O)CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817443 [0,0,0,1,0,0|2,1,0]=4 3378 B15R1.255 NC(=O)CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817443 [0,0,0,1,0,0|3,0,0]=4 3379 B15R1.255 NC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_100009817443_200016002552 [0,0,0,1,0,0|3,0,0]=4 3380 B15R1.255 NC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009817443 [0,0,0,1,0,0|3,0,0]=4 3381 B15R1.489 CC(=O)CCCCNCCC1CCCC1 34a_100000739158_100009817362 [0,0,0,1,0,0|3,0,0]=4 3382 B15R1.489 CC(=O)CCCCOCCC1CCCC1 34a_100000749090_100009817362 [0,0,0,1,0,0|3,0,0]=4 3383 B15R1.489 CC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000735457 [0,0,0,1,0,0|3,0,0]=4 3384 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000735457_100000760354 [0,0,0,1,0,0|3,0,0]=4 3385 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000735457 [0,0,0,1,0,0|3,0,0]=4 3386 B15R1.489 CC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000685027 [0,0,0,1,0,0|3,0,0]=4 3387 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100000759063_100011713738 [0,0,0,1,0,0|3,0,0]=4 3388 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000685027 [0,0,0,1,0,0|3,0,0]=4 3389 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100000759063_100011713738 [0,0,0,1,0,0|3,0,0]=4 3390 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011215641 [0,0,0,1,0,0|3,0,0]=4 3391 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011215641_100011713738 [0,0,0,1,0,0|3,0,0]=4 3392 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011713738_100011215641 [0,0,0,1,0,0|3,0,0]=4 3393 B15R1.489 NC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100009817443 [0,0,0,1,0,0|3,0,0]=4 3394 B15R1.489 NC(=O)CCCCCNCC1CCCC1 34a_100000737975_100009817443 [0,0,0,1,0,0|3,0,0]=4 3395 B15R1.489 NC(=O)CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009817443 [0,0,0,1,0,0|3,0,0]=4 3396 B15R1.489 NC(=O)CCCCCNC[C@@H]1CCCO1 34a_100020590478_100009817443 [0,0,0,1,0,0|3,0,0]=4 3397 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000123541_100000740388 [0,0,0,1,0,0|3,0,0]=4 3398 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000742336_100009817443 [0,0,0,1,0,0|3,0,0]=4 3399 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000123541_100000740388 [0,0,0,1,0,0|3,0,0]=4 3400 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000742336_100009817443 [0,0,0,1,0,0|3,0,0]=4 3401 B15R1.489 NC(=O)CCCCCOCC1CCCO1 34a_100000210270_100009817443 [0,0,0,1,0,0|3,0,0]=4 3402 B15R1.489 NC(=O)CCCCCOCC1CCCO1 7a_100000123541_100000203698 [0,0,0,1,0,0|3,0,0]=4 3403 B15R1.489 NC(=O)CCCCCOCC1CCCO1 7a_100000210270_100009817443 [0,0,0,1,0,0|3,0,0]=4 3404 B15R1.489 NC(=O)CCCCCOC[C@H]1CCCN1 34a_100000745186_100009817443 [0,0,0,1,0,0|3,0,0]=4 3405 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100000740388_100009817443 [0,0,0,1,0,0|3,0,0]=4 3406 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100009817443_100000740388 [0,0,0,1,0,0|3,0,0]=4 3407 B15R1.489 NC(=O)CCCCCSCC1CCCO1 62a_100000203698_100009817443 [0,0,0,1,0,0|3,0,0]=4 3408 B15R1.489 NC(=O)CCCCCSCC1CCCO1 62a_100009817443_100000203698 [0,0,0,1,0,0|3,0,0]=4 3409 B15R1.489 NC(=O)CCCCNCCC1CCCC1 34a_100000696515_100000760354 [0,0,0,1,0,0|3,0,0]=4 3410 B15R1.489 NC(=O)CCCCOCCC1CCCC1 34a_100012022536_100000760354 [0,0,0,1,0,0|3,0,0]=4 3411 B15R1.489 NC(=O)CCCCOCCC1CCCC1 7a_100012022536_100000760354 [0,0,0,1,0,0|3,0,0]=4 3412 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000736752_100102525003 [0,0,0,1,0,0|3,0,0]=4 3413 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000739312_100011713738 [0,0,0,1,0,0|3,0,0]=4 3414 B15R1.489 NC(=O)CCCOCCCC1CCCC1 34a_100011215328_100102525003 [0,0,0,1,0,0|3,0,0]=4 3415 B15R1.489 NC(=O)CCCOCCCC1CCCC1 7a_100011215328_100102525003 [0,0,0,1,0,0|3,0,0]=4 3416 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100011713738_100102525003 [0,0,0,1,0,0|3,0,0]=4 3417 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100102525003_100011713738 [0,0,0,1,0,0|3,0,0]=4 3418 B15R1.489 O=C(O)COCCNCCC1CCCC1 269956a_100000700818_100000760354 [0,0,0,1,0,0|3,0,0]=4 3419 B15R1.489 O=C([O-])CCCCCOCC1CCCC1 7a_100102619762_100000740388 [0,0,0,1,0,0|2,0,1]=4 3420 B15R1.489 O=C([O-])CCCCCOCC1CCCO1 7a_100102619762_100000203698 [0,0,0,1,0,0|2,0,1]=4 3421 B15R1.504 CC(=O)CCCCNCC1CCCCC1 34a_100000210473_100009817362 [0,0,0,1,0,0|3,0,0]=4 3422 B15R1.504 CC(=O)CCCCNCC1CCCCO1 34a_100000174945_100009817362 [0,0,0,1,0,0|3,0,0]=4 3423 B15R1.504 CC(=O)CCCCOCC1CCCCC1 34a_100000212181_100009817362 [0,0,0,1,0,0|3,0,0]=4 3424 B15R1.504 CC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000735457 [0,0,0,1,0,0|3,0,0]=4 3425 B15R1.504 CC(=O)CCCCOCC1CCCCN1 34a_100000210821_100009817362 [0,0,0,1,0,0|3,0,0]=4 3426 B15R1.504 CC(=O)CCCCOCC1CCCCO1 34a_100000211370_100009817362 [0,0,0,1,0,0|3,0,0]=4 3427 B15R1.504 CC(=O)CCCCOCC1CCCCO1 7a_100000211370_100000735457 [0,0,0,1,0,0|3,0,0]=4 3428 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000735457 [0,0,0,1,0,0|3,0,0]=4 3429 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000735457_100000211423 [0,0,0,1,0,0|3,0,0]=4 3430 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000211543_100000735457 [0,0,0,1,0,0|3,0,0]=4 3431 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000735457_100000211543 [0,0,0,1,0,0|3,0,0]=4 3432 B15R1.504 CC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000685027 [0,0,0,1,0,0|3,0,0]=4 3433 B15R1.504 CC(=O)CCCNCCC1CCCCO1 34a_100015183643_100000685027 [0,0,0,1,0,0|3,0,0]=4 3434 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100000759063_100011209188 [0,0,0,1,0,0|3,0,0]=4 3435 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000685027 [0,0,0,1,0,0|3,0,0]=4 3436 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100000759063_100011273959 [0,0,0,1,0,0|3,0,0]=4 3437 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011215641 [0,0,0,1,0,0|3,0,0]=4 3438 B15R1.504 CC(=O)CCCOCCC1CCCCN1 34a_100000211664_100000685027 [0,0,0,1,0,0|3,0,0]=4 3439 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100011215641_100012355289 [0,0,0,1,0,0|3,0,0]=4 3440 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100012355289_100011215641 [0,0,0,1,0,0|3,0,0]=4 3441 B15R1.504 CC(=O)CCOCCCC1CCCCC1 34a_100000759926_100011713725 [0,0,0,1,0,0|3,0,0]=4 3442 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000053229 [0,0,0,1,0,0|3,0,0]=4 3443 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000759926_100011713725 [0,0,0,1,0,0|3,0,0]=4 3444 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100000053229_100011713725 [0,0,0,1,0,0|3,0,0]=4 3445 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000053229 [0,0,0,1,0,0|3,0,0]=4 3446 B15R1.504 NC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100009817443 [0,0,0,1,0,0|3,0,0]=4 3447 B15R1.504 NC(=O)CCCCCNC1CCCCC1 34a_100000182618_100009817443 [0,0,0,1,0,0|3,0,0]=4 3448 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000123541_100000210327 [0,0,0,1,0,0|3,0,0]=4 3449 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000210231_100009817443 [0,0,0,1,0,0|3,0,0]=4 3450 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000123541_100000210327 [0,0,0,1,0,0|3,0,0]=4 3451 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000210231_100009817443 [0,0,0,1,0,0|3,0,0]=4 3452 B15R1.504 NC(=O)CCCCCOC1CCCCO1 34a_100000033831_100009817443 [0,0,0,1,0,0|3,0,0]=4 3453 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100000210327_100009817443 [0,0,0,1,0,0|3,0,0]=4 3454 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100009817443_100000210327 [0,0,0,1,0,0|3,0,0]=4 3455 B15R1.504 NC(=O)CCCCNCC1CCCCC1 269862a_100000696515_100000211278 [0,0,0,1,0,0|3,0,0]=4 3456 B15R1.504 NC(=O)CCCCNCC1CCCCC1 34a_100000696515_100000211423 [0,0,0,1,0,0|3,0,0]=4 3457 B15R1.504 NC(=O)CCCCNCC1CCCCO1 34a_100000696515_100000211543 [0,0,0,1,0,0|3,0,0]=4 3458 B15R1.504 NC(=O)CCCCOCC1CCCCC1 34a_100012022536_100000211423 [0,0,0,1,0,0|3,0,0]=4 3459 B15R1.504 NC(=O)CCCCOCC1CCCCC1 7a_100012022536_100000211423 [0,0,0,1,0,0|3,0,0]=4 3460 B15R1.504 NC(=O)CCCCOCC1CCCCO1 34a_100012022536_100000211543 [0,0,0,1,0,0|3,0,0]=4 3461 B15R1.504 NC(=O)CCCCOCC1CCCCO1 7a_100012022536_100000211543 [0,0,0,1,0,0|3,0,0]=4 3462 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000738074_100102525003 [0,0,0,1,0,0|3,0,0]=4 3463 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000739312_100011209188 [0,0,0,1,0,0|3,0,0]=4 3464 B15R1.504 NC(=O)CCCNCCC1CCCCO1 34a_100015183643_100102525003 [0,0,0,1,0,0|3,0,0]=4 3465 B15R1.504 NC(=O)CCCOCCC1CCCCC1 34a_100011217863_100102525003 [0,0,0,1,0,0|3,0,0]=4 3466 B15R1.504 NC(=O)CCCOCCC1CCCCC1 7a_100011217863_100102525003 [0,0,0,1,0,0|3,0,0]=4 3467 B15R1.504 NC(=O)CCCOCCC1CCCCN1 34a_100000211664_100102525003 [0,0,0,1,0,0|3,0,0]=4 3468 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100012355289_100102525003 [0,0,0,1,0,0|3,0,0]=4 3469 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100102525003_100012355289 [0,0,0,1,0,0|3,0,0]=4 3470 B15R1.504 NC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000744528 [0,0,0,1,0,0|3,0,0]=4 3471 B15R1.504 NC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000731001 [0,0,0,1,0,0|3,0,0]=4 3472 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000731001 [0,0,0,1,0,0|3,0,0]=4 3473 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000757172_100011713725 [0,0,0,1,0,0|3,0,0]=4 3474 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000744528 [0,0,0,1,0,0|3,0,0]=4 3475 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000757172_100011713725 [0,0,0,1,0,0|3,0,0]=4 3476 B15R1.504 NC(=O)CCOCCCC1CCCCN1 34a_100011934581_100000731001 [0,0,0,1,0,0|3,0,0]=4 3477 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100000744528_100011713725 [0,0,0,1,0,0|3,0,0]=4 3478 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000744528 [0,0,0,1,0,0|3,0,0]=4 3479 B15R1.504 NC(=O)COCCCCC1CCCCC1 34a_100011215267_100000187820 [0,0,0,1,0,0|3,0,0]=4 3480 B15R1.504 NC(=O)COCCCCC1CCCCC1 7a_100011215267_100000187820 [0,0,0,1,0,0|3,0,0]=4 3481 B15R1.504 O=C(O)CNCCCOC1CCCCO1 269956a_100016091260_100000700653 [0,0,0,1,0,0|3,0,0]=4 3482 B15R1.504 O=C(O)COCCNCC1CCCCC1 269956a_100000700818_100000211423 [0,0,0,1,0,0|3,0,0]=4 3483 B15R1.504 O=C(O)COCCNCC1CCCCO1 269956a_100000700818_100000211543 [0,0,0,1,0,0|3,0,0]=4 3484 B15R1.504 O=C(O)CONCCCC1CCCCC1 269956a_100000106656_100011713725 [0,0,0,1,0,0|3,0,0]=4 3485 B15R1.504 O=C([O-])CCCCCOC1CCCCC1 7a_100102619762_100000210327 [0,0,0,1,0,0|2,0,1]=4 3486 B15R1.504 O=C([O-])COCCCCC1CCCCC1 34a_100011215267_100020667443 [0,0,0,1,0,0|2,0,1]=4 3487 B15R1.589 CC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100011215641 [0,0,0,1,0,0|3,0,0]=4 3488 B15R1.589 CC(=O)CCCN1CCCCC1CCO 34a_100000211664_100000685027 [0,0,0,1,0,0|3,0,0]=4 3489 B15R1.589 CCCC1CCCCC1NCCC(=O)N 269862a_100000740010_100011218038 [0,0,0,1,0,0|3,0,0]=4 3490 B15R1.589 CCCC1CCCCC1OCCC(=O)C 7a_100011217265_100000053229 [0,0,0,1,0,0|3,0,0]=4 3491 B15R1.589 CCCC1CCCCC1OCCC(=O)N 34a_100011217265_100000731001 [0,0,0,1,0,0|3,0,0]=4 3492 B15R1.589 CCCC1CCCCC1OCCC(=O)N 7a_100011217265_100000744528 [0,0,0,1,0,0|3,0,0]=4 3493 B15R1.589 CCCC1CCCCN1CCCC(=O)C 269982a_100000701414_100011215641 [0,0,0,1,0,0|3,0,0]=4 3494 B15R1.589 CCCC1CCCCN1CCCC(=O)C 34a_100000701414_100000685027 [0,0,0,1,0,0|3,0,0]=4 3495 B15R1.589 CCCC1CCCCN1CCCC(=O)N 269982a_100000701414_100102525003 [0,0,0,1,0,0|3,0,0]=4 3496 B15R1.589 CCCC1CCCCN1CCCC(=O)N 34a_100000701414_100102525003 [0,0,0,1,0,0|3,0,0]=4 3497 B15R1.589 NC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100102525003 [0,0,0,1,0,0|3,0,0]=4 3498 B15R1.589 NC(=O)CCCN1CCCCC1CCO 34a_100000211664_100102525003 [0,0,0,1,0,0|3,0,0]=4 3499 B15R1.604 CCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000723119 [0,0,0,1,0,0|3,0,0]=4 3500 B15R1.1051 C#CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000688953 [0,0,0,1,0,0|2,0,1]=4 3501 B15R1.1051 C=CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000754431 [0,0,0,1,0,0|2,0,1]=4 3502 B15R1.1051 CC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000053229 [0,0,0,1,0,0|3,0,0]=4 3503 B15R1.1051 CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210211 [0,0,0,1,0,0|2,0,0]=3 3504 B15R1.1051 CCOCN1CCCCC1CCC(=O)O 269956a_100000694054_100000739092 [0,0,0,1,0,0|3,0,0]=4 3505 B15R1.1051 COCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000233755 [0,0,0,1,0,0|3,0,0]=4 3506 B15R1.1051 CSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000212216 [0,0,0,1,0,0|3,0,0]=4 3507 B15R1.1051 N#CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215226 [0,0,0,1,0,0|2,0,1]=4 3508 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 2230a_100011934581_100000744528 [0,0,0,1,0,0|3,0,0]=4 3509 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000744528 [0,0,0,1,0,0|3,0,0]=4 3510 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 34a_100011934581_100000731001 [0,0,0,1,0,0|3,0,0]=4 3511 B15R1.1051 O=C(O)CCC1CCCCN1CCCF 269956a_100000694054_100011934791 [0,0,0,1,0,0|1,1,0]=3 3512 B15R1.1051 O=C(O)CCC1CCCCN1CCCO 269956a_100000694054_100011215043 [0,0,0,1,0,0|2,0,0]=3 3513 B15R1.1068 CCCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000750825 [0,0,0,1,0,0|3,0,0]=4 3514 B15R1.1168 CCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210670 [0,0,0,1,0,0|3,0,0]=4 3515 B15R1.1168 CCCCCCCCNCC1CC(=O)C1 2230a_100000229939_100009874392 [0,0,0,1,0,0|3,0,0]=4 3516 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210759 [0,0,0,1,0,0|3,0,0]=4 3517 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 7a_100000210232_100009874392 [0,0,0,1,0,0|3,0,0]=4 3518 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100000210759_100009874392 [0,0,0,1,0,0|3,0,0]=4 3519 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210317 [0,0,0,1,0,0|3,0,0]=4 3520 B15R1.1168 O=C1CC(C1)CNCCCCCCCO 2230a_100011996573_100009874392 [0,0,0,1,0,0|3,0,0]=4 3521 B15R1.1168 O=C1CC(C1)COCCCCCCCBr 7a_100000760002_100009874392 [0,0,0,1,0,0|2,0,0]=3 3522 B15R1.1168 O=C1CC(C1)COCCCCCCCO 34a_100000101936_100000760002 [0,0,0,1,0,0|3,0,0]=4 3523 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100000760002_100009874392 [0,0,0,1,0,0|3,0,0]=4 3524 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100009874392_100000760002 [0,0,0,1,0,0|3,0,0]=4 3525 B15R1.1168 O=C1CC(C1)SCCCCCCCCO 62a_100009894365_100000033203 [0,0,0,1,0,0|3,0,0]=4 3526 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210326 [0,0,0,1,0,0|3,0,0]=4 3527 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210215 [0,0,0,1,0,0|3,0,0]=4 3528 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000718602 [0,0,0,1,0,0|3,0,0]=4 3529 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 2230a_100015184752_100000729493 [0,0,0,1,0,0|2,1,0]=4 3530 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 269982a_100015184752_100000729493 [0,0,0,1,0,0|2,1,0]=4 3531 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 34a_100015184752_100000729493 [0,0,0,1,0,0|2,1,0]=4 3532 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 2230a_100015184752_100000210776 [0,0,0,1,0,0|3,0,0]=4 3533 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 269982a_100015184752_100000210776 [0,0,0,1,0,0|3,0,0]=4 3534 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 34a_100015184752_100011216708 [0,0,0,1,0,0|3,0,0]=4 3535 B15R1.3525 C#CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012094781 [0,0,0,1,0,0|2,0,1]=4 3536 B15R1.3525 C=CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000700193 [0,0,0,1,0,0|2,0,1]=4 3537 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210681 [0,0,0,1,0,0|3,0,0]=4 3538 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210614 [0,0,0,1,0,0|2,0,0]=3 3539 B15R1.3525 CCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210614 [0,0,0,1,0,0|3,0,0]=4 3540 B15R1.3525 CCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210614 [0,0,0,1,0,0|3,0,0]=4 3541 B15R1.3525 CCCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000743108 [0,0,0,1,0,0|3,0,0]=4 3542 B15R1.3525 N#CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009813376 [0,0,0,1,0,0|2,0,1]=4 3543 B15R1.3525 NC(=O)[C@@H]1CCCN1CCCCCCF 2230a_100000003125_100015922095 [0,0,0,1,0,0|2,1,0]=4 3544 B15R1.3525 NC(=O)[C@@H]1CCCN1CCCCCCO 2230a_100000003125_100000766143 [0,0,0,1,0,0|3,0,0]=4 3545 B15R1.3525 O=C(O)C1SCCN1CCCCCCF 269956a_100000035718_100015922095 [0,0,0,1,0,0|2,1,0]=4 3546 B15R1.3525 O=C(O)C1SCCN1CCCCCCO 269956a_100000035718_100000766143 [0,0,0,1,0,0|3,0,0]=4 3547 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCF 269956a_100000743916_100015922095 [0,0,0,1,0,0|1,1,0]=3 3548 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCO 269956a_100000743916_100000766143 [0,0,0,1,0,0|2,0,0]=3 3549 B15R1.3525 O=C(O)[C@@H]1CSCN1CCCCCCF 269956a_100000743924_100015922095 [0,0,0,1,0,0|2,1,0]=4 3550 B15R1.3525 O=C(O)[C@@H]1CSCN1CCCCCCO 269956a_100000743924_100000766143 [0,0,0,1,0,0|3,0,0]=4 3551 B15R1.3525 O=CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000139337 [0,0,0,1,0,0|2,0,1]=4 3552 B15R1.3745 C#CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215417 [0,0,0,1,0,0|2,0,1]=4 3553 B15R1.3745 C=CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011713584 [0,0,0,1,0,0|2,0,1]=4 3554 B15R1.3745 CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210326 [0,0,0,1,0,0|2,0,0]=3 3555 B15R1.3745 CCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210147 [0,0,0,1,0,0|3,0,0]=4 3556 B15R1.3745 CCSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000757381 [0,0,0,1,0,0|3,0,0]=4 3557 B15R1.3745 COCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000740836 [0,0,0,1,0,0|3,0,0]=4 3558 B15R1.3745 N#CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000687738 [0,0,0,1,0,0|2,0,1]=4 3559 B15R1.3745 O=C(O)C1CCCCCN1CCCCF 269956a_100000758484_100000729493 [0,0,0,1,0,0|1,1,0]=3 3560 B15R1.3745 O=C(O)C1CCCCCN1CCCCO 269956a_100000758484_100000210776 [0,0,0,1,0,0|2,0,0]=3 3561 B15R1.3745 O=CCCCN1CCCCCC1C(=O)O 269956a_100000758484_200011292268 [0,0,0,1,0,0|2,0,1]=4 3562 B15R1.8900 NC(=O)CCCCCOCCCC1CO1 34a_100000123541_100000733510 [0,0,0,1,0,0|3,0,0]=4 3563 B15R1.8900 NC(=O)CCCCCOCCCC1CO1 7a_100000123541_100000733510 [0,0,0,1,0,0|3,0,0]=4 3564 B15R1.8900 NC(=O)CCCCCSCCCC1CO1 62a_100000733510_100009817443 [0,0,0,1,0,0|3,0,0]=4 3565 B15R1.8900 NC(=O)CCCCCSCCCC1CO1 62a_100009817443_100000733510 [0,0,0,1,0,0|3,0,0]=4 3566 B15R1.8900 O=C([O-])CCCCCOCCCC1CO1 7a_100102619762_100000733510 [0,0,0,1,0,0|2,0,1]=4 3567 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000735457 [0,0,0,1,0,0|3,0,0]=4 3568 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 34a_100000211400_100009817362 [0,0,0,1,0,0|3,0,0]=4 3569 B15R1.8920 CC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000685027 [0,0,0,1,0,0|3,0,0]=4 3570 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000685027 [0,0,0,1,0,0|3,0,0]=4 3571 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011215641 [0,0,0,1,0,0|3,0,0]=4 3572 B15R1.8920 CC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000053229 [0,0,0,1,0,0|3,0,0]=4 3573 B15R1.8920 NC(=O)CCCNC1CCCCCCC1 34a_100000211152_100102525003 [0,0,0,1,0,0|3,0,0]=4 3574 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 34a_100000210054_100102525003 [0,0,0,1,0,0|3,0,0]=4 3575 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 7a_100000210054_100102525003 [0,0,0,1,0,0|3,0,0]=4 3576 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000731001 [0,0,0,1,0,0|3,0,0]=4 3577 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000744528 [0,0,0,1,0,0|3,0,0]=4 3578 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747473 [0,0,0,1,0,0|3,0,0]=4 3579 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000187820 [0,0,0,1,0,0|3,0,0]=4 3580 B15R1.8920 O=C([O-])CNCCC1CCCCCCC1 34a_100011532352_100020667443 [0,0,0,1,0,0|2,0,1]=4 3581 B15R1.8958 CC(=O)CCCCNC1CCCCCC1 34a_100000210984_100009817362 [0,0,0,1,0,0|3,0,0]=4 3582 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 34a_100000210887_100009817362 [0,0,0,1,0,0|3,0,0]=4 3583 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000735457 [0,0,0,1,0,0|3,0,0]=4 3584 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100000735457_100011217769 [0,0,0,1,0,0|3,0,0]=4 3585 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000735457 [0,0,0,1,0,0|3,0,0]=4 3586 B15R1.8958 CC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000685027 [0,0,0,1,0,0|3,0,0]=4 3587 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000685027 [0,0,0,1,0,0|3,0,0]=4 3588 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000759063_200000696569 [0,0,0,1,0,0|3,0,0]=4 3589 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011215641 [0,0,0,1,0,0|3,0,0]=4 3590 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000759063_200000696569 [0,0,0,1,0,0|3,0,0]=4 3591 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_100011215641_200000696569 [0,0,0,1,0,0|3,0,0]=4 3592 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_200000696569_100011215641 [0,0,0,1,0,0|3,0,0]=4 3593 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100009817443 [0,0,0,1,0,0|3,0,0]=4 3594 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100009817443 [0,0,0,1,0,0|3,0,0]=4 3595 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 34a_100000185865_100009817443 [0,0,0,1,0,0|3,0,0]=4 3596 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 270004a_100000696515_100000210131 [0,0,0,1,0,0|3,0,0]=4 3597 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 34a_100000696515_100011217769 [0,0,0,1,0,0|3,0,0]=4 3598 B15R1.8958 NC(=O)CCCCOC1CCCCCC1 34a_100012022536_100011217769 [0,0,0,1,0,0|3,0,0]=4 3599 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 269862a_100000739312_200000763224 [0,0,0,1,0,0|3,0,0]=4 3600 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100000739312_200000696569 [0,0,0,1,0,0|3,0,0]=4 3601 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100015204231_100102525003 [0,0,0,1,0,0|3,0,0]=4 3602 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 34a_100000699130_100102525003 [0,0,0,1,0,0|3,0,0]=4 3603 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 7a_100000699130_100102525003 [0,0,0,1,0,0|3,0,0]=4 3604 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_100102525003_200000696569 [0,0,0,1,0,0|3,0,0]=4 3605 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_200000696569_100102525003 [0,0,0,1,0,0|3,0,0]=4 3606 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000744528 [0,0,0,1,0,0|3,0,0]=4 3607 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000731001 [0,0,0,1,0,0|3,0,0]=4 3608 B15R1.8958 O=C(O)COCCNC1CCCCCC1 269956a_100000700818_100011217769 [0,0,0,1,0,0|3,0,0]=4 3609 B15R1.9199 BrCCCCCCCCCOCC1CO1 34a_100009813782_102125554688 [0,0,0,1,0,0|2,0,1]=4 3610 B15R1.9199 BrCCCCCCCCCOCC1CO1 7a_100009813782_102125554688 [0,0,0,1,0,0|2,0,1]=4 3611 B15R1.9199 BrCCCCCCCCCOC[C@@H]1CO1 7a_100009813782_100000745022 [0,0,0,1,0,0|2,0,1]=4 3612 B15R1.9199 BrCCCCCCCCOCCC1CO1 34a_100009813846_100000732470 [0,0,0,1,0,0|2,0,1]=4 3613 B15R1.9199 BrCCCCCCCCOCCC1CO1 7a_100009813846_100000732470 [0,0,0,1,0,0|2,0,1]=4 3614 B15R1.9199 BrCCCCCCCOCCCC1CO1 34a_100000760002_100000733510 [0,0,0,1,0,0|2,0,1]=4 3615 B15R1.9199 BrCCCCCCCOCCCC1CO1 7a_100000760002_100000733510 [0,0,0,1,0,0|2,0,1]=4 3616 B15R1.9274 C#CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100012276617 [0,0,0,1,0,0|2,0,1]=4 3617 B15R1.9274 C=CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011215473 [0,0,0,1,0,0|2,0,1]=4 3618 B15R1.9274 CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210759 [0,0,0,1,0,0|2,0,0]=3 3619 B15R1.9274 COCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011998445 [0,0,0,1,0,0|3,0,0]=4 3620 B15R1.9274 N#CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100009813337 [0,0,0,1,0,0|2,0,1]=4 3621 B15R1.9274 O=C(O)C1CCN1CCCCCCCO 269956a_100000021838_100000760002 [0,0,0,1,0,0|2,0,0]=3 3622 B15R1.10901 C#CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000184674 [0,0,0,1,0,0|2,0,1]=4 3623 B15R1.10901 C=CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210623 [0,0,0,1,0,0|2,0,1]=4 3624 B15R1.10901 CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210207 [0,0,0,1,0,0|2,0,0]=3 3625 B15R1.10901 COCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000766300 [0,0,0,1,0,0|3,0,0]=4 3626 B15R1.10901 CSCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011218213 [0,0,0,1,0,0|3,0,0]=4 3627 B15R1.10901 N#CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215382 [0,0,0,1,0,0|2,0,1]=4 3628 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCF 269956a_200049070474_100011217306 [0,0,0,1,0,0|1,1,0]=3 3629 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCO 269956a_200049070474_100000211926 [0,0,0,1,0,0|2,0,0]=3 3630 B15R1.10901 O=CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200015260668 [0,0,0,1,0,0|2,0,1]=4 3631 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100011215641 [0,0,0,1,0,0|3,0,0]=4 3632 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000685027 [0,0,0,1,0,0|3,0,0]=4 3633 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100102525003 [0,0,0,1,0,0|3,0,0]=4 3634 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 34a_100000039187_100102525003 [0,0,0,1,0,0|3,0,0]=4 3635 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [2,0,0,0,0,0|2,0,0]=4 3636 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [2,0,0,0,0,0|2,0,0]=4 3637 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [2,0,0,0,0,0|2,0,0]=4 3638 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [2,0,0,0,0,0|2,0,0]=4 3639 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [2,0,0,0,0,0|2,0,0]=4 3640 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [2,0,0,0,0,0|2,0,0]=4 3641 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [2,0,0,0,0,0|2,0,0]=4 3642 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [2,0,0,0,0,0|2,0,0]=4 3643 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [2,0,0,0,0,0|2,0,0]=4 3644 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [2,0,0,0,0,0|2,0,0]=4 3645 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [2,0,0,0,0,0|2,0,0]=4 3646 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [2,0,0,0,0,0|2,0,0]=4 3647 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [2,0,0,0,0,0|2,0,0]=4 3648 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [2,0,0,0,0,0|2,0,0]=4 3649 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [2,0,0,0,0,0|2,0,0]=4 3650 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [2,0,0,0,0,0|2,0,0]=4 3651 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [2,0,0,0,0,0|2,0,0]=4 3652 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [2,0,0,0,0,0|2,0,0]=4 3653 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [2,0,0,0,0,0|2,0,0]=4 3654 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [2,0,0,0,0,0|2,0,0]=4 3655 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [2,0,0,0,0,0|2,0,0]=4 3656 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [2,0,0,0,0,0|2,0,0]=4 3657 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [2,0,0,0,0,0|1,0,1]=4 3658 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [2,0,0,0,0,0|2,0,0]=4 3659 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [2,0,0,0,0,0|2,0,0]=4 3660 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [2,0,0,0,0,0|2,0,0]=4 3661 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [2,0,0,0,0,0|2,0,0]=4 3662 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [2,0,0,0,0,0|2,0,0]=4 3663 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [2,0,0,0,0,0|2,0,0]=4 3664 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [2,0,0,0,0,0|2,0,0]=4 3665 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [2,0,0,0,0,0|1,0,1]=4 3666 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [2,0,0,0,0,0|2,0,0]=4 3667 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [2,0,0,0,0,0|2,0,0]=4 3668 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [2,0,0,0,0,0|2,0,0]=4 3669 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [2,0,0,0,0,0|2,0,0]=4 3670 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [2,0,0,0,0,0|2,0,0]=4 3671 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [2,0,0,0,0,0|2,0,0]=4 3672 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [2,0,0,0,0,0|2,0,0]=4 3673 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [2,0,0,0,0,0|1,0,1]=4 3674 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [2,0,0,0,0,0|2,0,0]=4 3675 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [2,0,0,0,0,0|2,0,0]=4 3676 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [2,0,0,0,0,0|2,0,0]=4 3677 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [2,0,0,0,0,0|2,0,0]=4 3678 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [2,0,0,0,0,0|2,0,0]=4 3679 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [2,0,0,0,0,0|2,0,0]=4 3680 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [2,0,0,0,0,0|2,0,0]=4 3681 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [2,0,0,0,0,0|2,0,0]=4 3682 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [2,0,0,0,0,0|2,0,0]=4 3683 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [2,0,0,0,0,0|1,0,1]=4 3684 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [2,0,0,0,0,0|1,0,1]=4 3685 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [2,0,0,0,0,0|2,0,0]=4 3686 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [2,0,0,0,0,0|2,0,0]=4 3687 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [2,0,0,0,0,0|2,0,0]=4 3688 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [2,0,0,0,0,0|2,0,0]=4 3689 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [2,0,0,0,0,0|2,0,0]=4 3690 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [2,0,0,0,0,0|2,0,0]=4 3691 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [2,0,0,0,0,0|2,0,0]=4 3692 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [2,0,0,0,0,0|2,0,0]=4 3693 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [2,0,0,0,0,0|2,0,0]=4 3694 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [2,0,0,0,0,0|1,0,1]=4 3695 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [2,0,0,0,0,0|1,0,1]=4 3696 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [2,0,0,0,0,0|2,0,0]=4 3697 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [2,0,0,0,0,0|2,0,0]=4 3698 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [2,0,0,0,0,0|2,0,0]=4 3699 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [2,0,0,0,0,0|2,0,0]=4 3700 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [2,0,0,0,0,0|2,0,0]=4 3701 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [2,0,0,0,0,0|2,0,0]=4 3702 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [2,0,0,0,0,0|2,0,0]=4 3703 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [2,0,0,0,0,0|2,0,0]=4 3704 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [2,0,0,0,0,0|2,0,0]=4 3705 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [2,0,0,0,0,0|1,0,1]=4 3706 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [2,0,0,0,0,0|1,0,1]=4 3707 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [2,0,0,0,0,0|2,0,0]=4 3708 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [2,0,0,0,0,0|2,0,0]=4 3709 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [2,0,0,0,0,0|2,0,0]=4 3710 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [2,0,0,0,0,0|2,0,0]=4 3711 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [2,0,0,0,0,0|2,0,0]=4 3712 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [2,0,0,0,0,0|2,0,0]=4 3713 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [2,0,0,0,0,0|2,0,0]=4 3714 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [2,0,0,0,0,0|2,0,0]=4 3715 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [2,0,0,0,0,0|1,0,1]=4 3716 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [2,0,0,0,0,0|1,0,1]=4 3717 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [2,0,0,0,0,0|2,0,0]=4 3718 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [2,0,0,0,0,0|2,0,0]=4 3719 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [2,0,0,0,0,0|2,0,0]=4 3720 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [2,0,0,0,0,0|2,0,0]=4 3721 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [2,0,0,0,0,0|2,0,0]=4 3722 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [2,0,0,0,0,0|2,0,0]=4 3723 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [2,0,0,0,0,0|2,0,0]=4 3724 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [2,0,0,0,0,0|2,0,0]=4 3725 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [2,0,0,0,0,0|2,0,0]=4 3726 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [2,0,0,0,0,0|2,0,0]=4 3727 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [2,0,0,0,0,0|2,0,0]=4 3728 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [2,0,0,0,0,0|2,0,0]=4 3729 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [2,0,0,0,0,0|2,0,0]=4 3730 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [2,0,0,0,0,0|2,0,0]=4 3731 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [2,0,0,0,0,0|2,0,0]=4 3732 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [2,0,0,0,0,0|2,0,0]=4 3733 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [2,0,0,0,0,0|2,0,0]=4 3734 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [2,0,0,0,0,0|2,0,0]=4 3735 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [2,0,0,0,0,0|1,0,0]=3 3736 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [2,0,0,0,0,0|1,0,0]=3 3737 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [2,0,0,0,0,0|1,0,1]=4 3738 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [2,0,0,0,0,0|1,0,1]=4 3739 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [2,0,0,0,0,0|1,0,1]=4 3740 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [2,0,0,0,0,0|1,0,1]=4 3741 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [2,0,0,0,0,0|1,0,0]=3 3742 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [2,0,0,0,0,0|1,0,0]=3 3743 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [2,0,0,0,0,0|1,0,1]=4 3744 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [2,0,0,0,0,0|1,0,1]=4 3745 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [2,0,0,0,0,0|1,0,1]=4 3746 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [2,0,0,0,0,0|1,0,0]=3 3747 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [2,0,0,0,0,0|1,0,1]=4 3748 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [2,0,0,0,0,0|1,0,1]=4 3749 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [2,0,0,0,0,0|1,0,1]=4 3750 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [2,0,0,0,0,0|1,0,1]=4 3751 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [2,0,0,0,0,0|1,0,1]=4 3752 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [2,0,0,0,0,0|1,0,1]=4 3753 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [2,0,0,0,0,0|1,0,1]=4 3754 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [2,0,0,0,0,0|1,0,1]=4 3755 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [2,0,0,0,0,0|1,0,0]=3 3756 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [2,0,0,0,0,0|1,0,1]=4 3757 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [2,0,0,0,0,0|1,0,1]=4 3758 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [2,0,0,0,0,0|1,0,1]=4 3759 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [2,0,0,0,0,0|1,0,0]=3 3760 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [2,0,0,0,0,0|1,0,1]=4 3761 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [2,0,0,0,0,0|1,0,1]=4 3762 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [2,0,0,0,0,0|1,0,1]=4 3763 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [2,0,0,0,0,0|1,0,0]=3 3764 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [2,0,0,0,0,0|1,0,0]=3 3765 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [2,0,0,0,0,0|1,0,1]=4 3766 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [2,0,0,0,0,0|1,0,1]=4 3767 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [2,0,0,0,0,0|1,0,0]=3 3768 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [2,0,0,0,0,0|1,0,1]=4 3769 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [2,0,0,0,0,0|1,0,1]=4 3770 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [2,0,0,0,0,0|1,0,1]=4 3771 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [2,0,0,0,0,0|1,0,0]=3 3772 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [2,0,0,0,0,0|1,0,1]=4 3773 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [2,0,0,0,0,0|1,0,1]=4 3774 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [2,0,0,0,0,0|1,0,1]=4 3775 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [2,0,0,0,0,0|1,0,1]=4 3776 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [2,0,0,0,0,0|2,0,0]=4 3777 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [2,0,0,0,0,0|2,0,0]=4 3778 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [2,0,0,0,0,0|1,0,0]=3 3779 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [2,0,0,0,0,0|1,0,0]=3 3780 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [2,0,0,0,0,0|1,0,1]=4 3781 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [2,0,0,0,0,0|1,0,1]=4 3782 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [2,0,0,0,0,0|1,0,0]=3 3783 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [2,0,0,0,0,0|1,0,1]=4 3784 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [2,0,0,0,0,0|1,0,1]=4 3785 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [2,0,0,0,0,0|1,0,1]=4 3786 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [2,0,0,0,0,0|1,0,0]=3 3787 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [2,0,0,0,0,0|1,0,1]=4 3788 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [2,0,0,0,0,0|1,0,1]=4 3789 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [2,0,0,0,0,0|1,0,1]=4 3790 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [2,0,0,0,0,0|1,0,1]=4 3791 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [2,0,0,0,0,0|1,0,0]=3 3792 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [2,0,0,0,0,0|1,0,0]=3 3793 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [2,0,0,0,0,0|1,0,1]=4 3794 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [2,0,0,0,0,0|1,0,1]=4 3795 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [2,0,0,0,0,0|1,0,1]=4 3796 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [2,0,0,0,0,0|1,0,1]=4 3797 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [2,0,0,0,0,0|1,0,1]=4 3798 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [2,0,0,0,0,0|1,0,1]=4 3799 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [2,0,0,0,0,0|2,0,0]=4 3800 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [2,0,0,0,0,0|1,0,1]=4 3801 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [2,0,0,0,0,0|1,0,1]=4 3802 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [2,0,0,0,0,0|1,0,1]=4 3803 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [2,0,0,0,0,0|1,0,1]=4 3804 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [2,0,0,0,0,0|2,0,0]=4 3805 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [2,0,0,0,0,0|2,0,0]=4 3806 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [2,0,0,0,0,0|2,0,0]=4 3807 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [2,0,0,0,0,0|2,0,0]=4 3808 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [2,0,0,0,0,0|2,0,0]=4 3809 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [2,0,0,0,0,0|2,0,0]=4 3810 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [2,0,0,0,0,0|2,0,0]=4 3811 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [2,0,0,0,0,0|1,0,1]=4 3812 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [2,0,0,0,0,0|1,0,1]=4 3813 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [2,0,0,0,0,0|2,0,0]=4 3814 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [2,0,0,0,0,0|2,0,0]=4 3815 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [2,0,0,0,0,0|1,0,1]=4 3816 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [2,0,0,0,0,0|1,0,1]=4 3817 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [2,0,0,0,0,0|1,0,1]=4 3818 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [2,0,0,0,0,0|1,0,1]=4 3819 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [2,0,0,0,0,0|1,0,1]=4 3820 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [2,0,0,0,0,0|2,0,0]=4 3821 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [2,0,0,0,0,0|2,0,0]=4 3822 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [2,0,0,0,0,0|2,0,0]=4 3823 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [2,0,0,0,0,0|2,0,0]=4 3824 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [2,0,0,0,0,0|2,0,0]=4 3825 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [2,0,0,0,0,0|1,0,1]=4 3826 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [2,0,0,0,0,0|1,0,1]=4 3827 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [2,0,0,0,0,0|2,0,0]=4 3828 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [2,0,0,0,0,0|2,0,0]=4 3829 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [2,0,0,0,0,0|1,0,1]=4 3830 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [2,0,0,0,0,0|1,0,1]=4 3831 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [2,0,0,0,0,0|1,0,1]=4 3832 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [2,0,0,0,0,0|1,0,1]=4 3833 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [2,0,0,0,0,0|1,0,1]=4 3834 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [2,0,0,0,0,0|1,0,1]=4 3835 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [2,0,0,0,0,0|2,0,0]=4 3836 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [2,0,0,0,0,0|2,0,0]=4 3837 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [2,0,0,0,0,0|2,0,0]=4 3838 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [2,0,0,0,0,0|2,0,0]=4 3839 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [2,0,0,0,0,0|2,0,0]=4 3840 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [2,0,0,0,0,0|2,0,0]=4 3841 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [2,0,0,0,0,0|2,0,0]=4 3842 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [2,0,0,0,0,0|2,0,0]=4 3843 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [2,0,0,0,0,0|1,0,1]=4 3844 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [2,0,0,0,0,0|1,0,1]=4 3845 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [2,0,0,0,0,0|2,0,0]=4 3846 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [2,0,0,0,0,0|2,0,0]=4 3847 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [2,0,0,0,0,0|2,0,0]=4 3848 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [2,0,0,0,0,0|2,0,0]=4 3849 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [2,0,0,0,0,0|2,0,0]=4 3850 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [2,0,0,0,0,0|1,0,1]=4 3851 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [2,0,0,0,0,0|1,0,1]=4 3852 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [2,0,0,0,0,0|1,0,1]=4 3853 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [2,0,0,0,0,0|1,0,1]=4 3854 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [2,0,0,0,0,0|1,0,1]=4 3855 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [2,0,0,0,0,0|1,0,1]=4 3856 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [2,0,0,0,0,0|1,0,1]=4 3857 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [2,0,0,0,0,0|1,0,1]=4 3858 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [2,0,0,0,0,0|2,0,0]=4 3859 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [2,0,0,0,0,0|2,0,0]=4 3860 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [2,0,0,0,0,0|2,0,0]=4 3861 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [2,0,0,0,0,0|2,0,0]=4 3862 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [2,0,0,0,0,0|2,0,0]=4 3863 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [2,0,0,0,0,0|1,0,1]=4 3864 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [2,0,0,0,0,0|1,0,1]=4 3865 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [2,0,0,0,0,0|2,0,0]=4 3866 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [2,0,0,0,0,0|2,0,0]=4 3867 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [2,0,0,0,0,0|2,0,0]=4 3868 B12R0.5 FCCCCCCOCCCCBr 34a_100011216708_100015922095 [2,0,0,0,0,0|2,0,0]=4 3869 B12R0.5 FCCCCCOCCCCCBr 34a_100000746331_100000729378 [2,0,0,0,0,0|2,0,0]=4 3870 B12R0.5 FCCCCCOCCCCCBr 7a_100000746331_100000729378 [2,0,0,0,0,0|2,0,0]=4 3871 B12R0.5 FCCCCOCCCCCCBr 34a_100011215345_100000729493 [2,0,0,0,0,0|2,0,0]=4 3872 B12R0.5 FCCCCOCCCCCCBr 7a_100011215345_100000729493 [2,0,0,0,0,0|2,0,0]=4 3873 B12R0.5 FCCCOCCCCCCCBr 34a_100000760002_100011934791 [2,0,0,0,0,0|2,0,0]=4 3874 B12R0.5 FCCCOCCCCCCCBr 7a_100000760002_100011934791 [2,0,0,0,0,0|2,0,0]=4 3875 B12R0.5 FCCOCCCCCCCCBr 34a_100009813846_100011217306 [2,0,0,0,0,0|2,0,0]=4 3876 B12R0.5 FCCOCCCCCCCCBr 7a_100009813846_100011217306 [2,0,0,0,0,0|2,0,0]=4 3877 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [2,0,0,0,0,0|2,0,0]=4 3878 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [2,0,0,0,0,0|2,0,0]=4 3879 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [2,0,0,0,0,0|2,0,0]=4 3880 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [2,0,0,0,0,0|2,0,0]=4 3881 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [2,0,0,0,0,0|2,0,0]=4 3882 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [2,0,0,0,0,0|2,0,0]=4 3883 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [2,0,0,0,0,0|2,0,0]=4 3884 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [2,0,0,0,0,0|2,0,0]=4 3885 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [2,0,0,0,0,0|2,0,0]=4 3886 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [2,0,0,0,0,0|2,0,0]=4 3887 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [2,0,0,0,0,0|2,0,0]=4 3888 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [2,0,0,0,0,0|1,1,0]=4 3889 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [2,0,0,0,0,0|1,1,0]=4 3890 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [2,0,0,0,0,0|1,1,0]=4 3891 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [2,0,0,0,0,0|1,1,0]=4 3892 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [2,0,0,0,0,0|2,0,0]=4 3893 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [2,0,0,0,0,0|2,0,0]=4 3894 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [2,0,0,0,0,0|2,0,0]=4 3895 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [2,0,0,0,0,0|1,0,0]=3 3896 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [2,0,0,0,0,0|1,1,0]=4 3897 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [2,0,0,0,0,0|1,1,0]=4 3898 B12R0.5 O=CCCCCOCCOCCBr 7a_100000692535_100000139335 [2,0,0,0,0,0|2,0,0]=4 3899 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [2,0,0,0,0,0|1,1,0]=4 3900 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [2,0,0,0,0,0|1,1,0]=4 3901 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [2,0,0,0,0,0|2,0,0]=4 3902 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [2,0,0,0,0,0|2,0,0]=4 3903 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [2,0,0,0,0,0|2,0,0]=4 3904 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [2,0,0,0,0,0|1,0,0]=3 3905 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [2,0,0,0,0,0|1,1,0]=4 3906 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [2,0,0,0,0,0|1,1,0]=4 3907 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [2,0,0,0,0,0|1,1,0]=4 3908 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [2,0,0,0,0,0|1,1,0]=4 3909 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [2,0,0,0,0,0|2,0,0]=4 3910 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [2,0,0,0,0,0|2,0,0]=4 3911 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [2,0,0,0,0,0|2,0,0]=4 3912 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [2,0,0,0,0,0|2,0,0]=4 3913 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [2,0,0,0,0,0|1,0,0]=3 3914 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [2,0,0,0,0,0|1,0,0]=3 3915 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [2,0,0,0,0,0|1,1,0]=4 3916 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [2,0,0,0,0,0|1,1,0]=4 3917 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [2,0,0,0,0,0|2,0,0]=4 3918 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [2,0,0,0,0,0|2,0,0]=4 3919 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [2,0,0,0,0,0|1,1,0]=4 3920 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [2,0,0,0,0,0|1,1,0]=4 3921 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [2,0,0,0,0,0|1,1,0]=4 3922 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [2,0,0,0,0,0|1,1,0]=4 3923 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [2,0,0,0,0,0|1,1,0]=4 3924 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [2,0,0,0,0,0|1,1,0]=4 3925 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [2,0,0,0,0,0|2,0,0]=4 3926 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [2,0,0,0,0,0|2,0,0]=4 3927 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [2,0,0,0,0,0|2,0,0]=4 3928 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [2,0,0,0,0,0|2,0,0]=4 3929 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [2,0,0,0,0,0|1,0,0]=3 3930 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [2,0,0,0,0,0|1,1,0]=4 3931 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [2,0,0,0,0,0|1,1,0]=4 3932 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [2,0,0,0,0,0|2,0,0]=4 3933 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [2,0,0,0,0,0|2,0,0]=4 3934 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [2,0,0,0,0,0|1,1,0]=4 3935 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [2,0,0,0,0,0|1,1,0]=4 3936 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [2,0,0,0,0,0|1,1,0]=4 3937 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [2,0,0,0,0,0|1,1,0]=4 3938 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [2,0,0,0,0,0|2,0,0]=4 3939 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [2,0,0,0,0,0|2,0,0]=4 3940 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [2,0,0,0,0,0|1,0,0]=3 3941 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [2,0,0,0,0,0|1,1,0]=4 3942 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [2,0,0,0,0,0|1,1,0]=4 3943 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [2,0,0,0,0,0|1,1,0]=4 3944 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [2,0,0,0,0,0|1,1,0]=4 3945 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [2,0,0,0,0,0|2,0,0]=4 3946 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [2,0,0,0,0,0|2,0,0]=4 3947 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [2,0,0,0,0,0|1,1,0]=4 3948 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [2,0,0,0,0,0|1,1,0]=4 3949 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [2,0,0,0,0,0|2,0,0]=4 3950 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [2,0,0,0,0,0|2,0,0]=4 3951 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [2,0,0,0,0,0|2,0,0]=4 3952 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [2,0,0,0,0,0|2,0,0]=4 3953 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [2,0,0,0,0,0|1,0,0]=3 3954 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [2,0,0,0,0,0|1,1,0]=4 3955 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [2,0,0,0,0,0|1,1,0]=4 3956 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [2,0,0,0,0,0|1,1,0]=4 3957 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [2,0,0,0,0,0|1,1,0]=4 3958 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [2,0,0,0,0,0|1,1,0]=4 3959 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [2,0,0,0,0,0|1,1,0]=4 3960 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [2,0,0,0,0,0|1,1,0]=4 3961 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [2,0,0,0,0,0|2,0,0]=4 3962 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [2,0,0,0,0,0|2,0,0]=4 3963 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [2,0,0,0,0,0|1,1,0]=4 3964 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [2,0,0,0,0,0|1,1,0]=4 3965 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [2,0,0,0,0,0|2,0,0]=4 3966 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [2,0,0,0,0,0|2,0,0]=4 3967 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [2,0,0,0,0,0|1,0,0]=3 3968 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [2,0,0,0,0,0|1,0,0]=3 3969 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [2,0,0,0,0,0|1,1,0]=4 3970 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [2,0,0,0,0,0|1,1,0]=4 3971 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [2,0,0,0,0,0|1,1,0]=4 3972 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [2,0,0,0,0,0|1,1,0]=4 3973 B12R0.5 OCCCCCOCCOCCBr 34a_100000692535_100000746330 [2,0,0,0,0,0|2,0,0]=4 3974 B12R0.5 OCCCCCOCCOCCBr 7a_100000692535_100000746330 [2,0,0,0,0,0|2,0,0]=4 3975 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [2,0,0,0,0,0|1,1,0]=4 3976 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [2,0,0,0,0,0|1,1,0]=4 3977 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [2,0,0,0,0,0|2,0,0]=4 3978 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [2,0,0,0,0,0|1,1,0]=4 3979 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [2,0,0,0,0,0|1,1,0]=4 3980 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [2,0,0,0,0,0|1,0,0]=3 3981 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [2,0,0,0,0,0|1,0,0]=3 3982 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [2,0,0,0,0,0|1,1,0]=4 3983 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [2,0,0,0,0,0|1,1,0]=4 3984 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [2,0,0,0,0,0|1,1,0]=4 3985 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [2,0,0,0,0,0|1,1,0]=4 3986 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [2,0,0,0,0,0|1,1,0]=4 3987 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [2,0,0,0,0,0|1,1,0]=4 3988 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [2,0,0,0,0,0|1,0,0]=3 3989 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [2,0,0,0,0,0|1,0,0]=3 3990 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [2,0,0,0,0,0|1,0,0]=3 3991 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [2,0,0,0,0,0|1,0,0]=3 3992 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [2,0,0,0,0,0|1,1,0]=4 3993 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [2,0,0,0,0,0|1,1,0]=4 3994 B12R0.5 OCCOCCOCCCCCBr 34a_100000746331_100000692535 [2,0,0,0,0,0|2,0,0]=4 3995 B12R0.5 OCCOCCOCCCCCBr 7a_100000746331_100011215305 [2,0,0,0,0,0|2,0,0]=4 3996 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [2,0,0,0,0,0|1,0,1]=4 3997 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [2,0,0,0,0,0|1,0,1]=4 3998 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [2,0,0,0,0,0|1,0,1]=4 3999 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [2,0,0,0,0,0|1,0,1]=4 4000 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [2,0,0,0,0,0|1,0,1]=4 4001 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [2,0,0,0,0,0|1,0,1]=4 4002 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [2,0,0,0,0,0|1,1,0]=4 4003 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [2,0,0,0,0,0|2,0,0]=4 4004 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [2,0,0,0,0,0|2,0,0]=4 4005 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [2,0,0,0,0,0|2,0,0]=4 4006 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [2,0,0,0,0,0|2,0,0]=4 4007 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [2,0,0,0,0,0|2,0,0]=4 4008 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [2,0,0,0,0,0|1,0,0]=3 4009 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [2,0,0,0,0,0|1,0,0]=3 4010 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [2,0,0,0,0,0|1,0,0]=3 4011 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [2,0,0,0,0,0|2,0,0]=4 4012 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [2,0,0,0,0,0|2,0,0]=4 4013 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [2,0,0,0,0,0|2,0,0]=4 4014 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [2,0,0,0,0,0|2,0,0]=4 4015 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [2,0,0,0,0,0|2,0,0]=4 4016 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [2,0,0,0,0,0|2,0,0]=4 4017 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [2,0,0,0,0,0|2,0,0]=4 4018 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [2,0,0,0,0,0|1,0,0]=3 4019 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [2,0,0,0,0,0|1,0,1]=4 4020 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [2,0,0,0,0,0|2,0,0]=4 4021 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [2,0,0,0,0,0|2,0,0]=4 4022 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [2,0,0,0,0,0|2,0,0]=4 4023 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [2,0,0,0,0,0|2,0,0]=4 4024 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [2,0,0,0,0,0|2,0,0]=4 4025 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [2,0,0,0,0,0|1,0,1]=4 4026 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [2,0,0,0,0,0|2,0,0]=4 4027 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [2,0,0,0,0,0|2,0,0]=4 4028 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [2,0,0,0,0,0|1,0,1]=4 4029 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [2,0,0,0,0,0|1,0,1]=4 4030 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [2,0,0,0,0,0|2,0,0]=4 4031 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [2,0,0,0,0,0|2,0,0]=4 4032 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [2,0,0,0,0,0|2,0,0]=4 4033 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [2,0,0,0,0,0|2,0,0]=4 4034 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [2,0,0,0,0,0|2,0,0]=4 4035 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [2,0,0,0,0,0|2,0,0]=4 4036 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [2,0,0,0,0,0|2,0,0]=4 4037 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [2,0,0,0,0,0|2,0,0]=4 4038 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [2,0,0,0,0,0|2,0,0]=4 4039 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [2,0,0,0,0,0|2,0,0]=4 4040 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [2,0,0,0,0,0|2,0,0]=4 4041 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [2,0,0,0,0,0|2,0,0]=4 4042 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [2,0,0,0,0,0|2,0,0]=4 4043 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [2,0,0,0,0,0|2,0,0]=4 4044 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [2,0,0,0,0,0|2,0,0]=4 4045 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [2,0,0,0,0,0|2,0,0]=4 4046 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [2,0,0,0,0,0|2,0,0]=4 4047 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [2,0,0,0,0,0|2,0,0]=4 4048 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [2,0,0,0,0,0|2,0,0]=4 4049 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [2,0,0,0,0,0|2,0,0]=4 4050 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [2,0,0,0,0,0|2,0,0]=4 4051 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [2,0,0,0,0,0|2,0,0]=4 4052 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [2,0,0,0,0,0|2,0,0]=4 4053 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [2,0,0,0,0,0|2,0,0]=4 4054 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [2,0,0,0,0,0|2,0,0]=4 4055 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [2,0,0,0,0,0|2,0,0]=4 4056 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [2,0,0,0,0,0|2,0,0]=4 4057 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [2,0,0,0,0,0|2,0,0]=4 4058 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [2,0,0,0,0,0|2,0,0]=4 4059 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [2,0,0,0,0,0|2,0,0]=4 4060 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [2,0,0,0,0,0|2,0,0]=4 4061 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [2,0,0,0,0,0|2,0,0]=4 4062 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [2,0,0,0,0,0|2,0,0]=4 4063 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [2,0,0,0,0,0|2,0,0]=4 4064 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [2,0,0,0,0,0|2,0,0]=4 4065 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [2,0,0,0,0,0|2,0,0]=4 4066 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [2,0,0,0,0,0|2,0,0]=4 4067 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [2,0,0,0,0,0|2,0,0]=4 4068 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [2,0,0,0,0,0|1,0,1]=4 4069 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [2,0,0,0,0,0|2,0,0]=4 4070 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [2,0,0,0,0,0|2,0,0]=4 4071 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [2,0,0,0,0,0|2,0,0]=4 4072 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [2,0,0,0,0,0|2,0,0]=4 4073 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [2,0,0,0,0,0|2,0,0]=4 4074 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [2,0,0,0,0,0|2,0,0]=4 4075 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [2,0,0,0,0,0|2,0,0]=4 4076 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [2,0,0,0,0,0|2,0,0]=4 4077 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [2,0,0,0,0,0|2,0,0]=4 4078 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [2,0,0,0,0,0|2,0,0]=4 4079 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [2,0,0,0,0,0|2,0,0]=4 4080 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [2,0,0,0,0,0|1,0,1]=4 4081 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [2,0,0,0,0,0|1,1,0]=4 4082 B14R0.2 CCCCCCCC(=O)CCCC(=O)C 1458a_100000211969_100011215641 [1,1,0,0,0,0|1,0,1]=4 4083 B14R0.2 CCCCCCCC(=O)CCCC(=O)N 1458a_100000211969_100102525003 [1,1,0,0,0,0|1,0,1]=4 4084 B14R0.2 CCCCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218727 [1,1,0,0,0,0|2,0,0]=4 4085 B14R0.2 CCCCCCCC(C)OCCC(=O)C 34a_100000759926_200011218727 [1,1,0,0,0,0|2,0,0]=4 4086 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_100000759926_200011218727 [1,1,0,0,0,0|2,0,0]=4 4087 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_200011215852_100000053229 [1,1,0,0,0,0|2,0,0]=4 4088 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_100000757172_200011218727 [1,1,0,0,0,0|2,0,0]=4 4089 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_200011215852_100000731001 [1,1,0,0,0,0|2,0,0]=4 4090 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_100000757172_200011218727 [1,1,0,0,0,0|2,0,0]=4 4091 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_200011215852_100000744528 [1,1,0,0,0,0|2,0,0]=4 4092 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_100000053229_200011218727 [1,1,0,0,0,0|2,0,0]=4 4093 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_200011218727_100000053229 [1,1,0,0,0,0|2,0,0]=4 4094 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_100000744528_200011218727 [1,1,0,0,0,0|2,0,0]=4 4095 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_200011218727_100000744528 [1,1,0,0,0,0|2,0,0]=4 4096 B14R0.2 CCCCCCCN(C)CCCC(=O)C 269982a_100000228206_100011215641 [1,1,0,0,0,0|2,0,0]=4 4097 B14R0.2 CCCCCCCN(C)CCCC(=O)N 269982a_100000228206_100102525003 [1,1,0,0,0,0|2,0,0]=4 4098 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [1,1,0,0,0,0|1,0,0]=3 4099 B14R0.2 CCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210314 [1,1,0,0,0,0|1,0,1]=4 4100 B14R0.2 CCCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000743108 [1,1,0,0,0,0|2,0,0]=4 4101 B14R0.2 CN(CCCCCCF)CCCC(=O)O 269956a_100000719178_100015922095 [1,1,0,0,0,0|1,1,0]=4 4102 B14R0.2 CN(CCCCCCO)CCCC(=O)O 269956a_100000719178_100000766143 [1,1,0,0,0,0|2,0,0]=4 4103 B14R0.68 CC(=O)CCCCOCCCCC(C)C 34a_100011214890_100009817362 [1,1,0,0,0,0|2,0,0]=4 4104 B14R0.68 CC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000735457 [1,1,0,0,0,0|2,0,0]=4 4105 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100000735457_100011216152 [1,1,0,0,0,0|2,0,0]=4 4106 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000735457 [1,1,0,0,0,0|2,0,0]=4 4107 B14R0.68 CC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000685027 [1,1,0,0,0,0|2,0,0]=4 4108 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100000759063_100000210682 [1,1,0,0,0,0|2,0,0]=4 4109 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000685027 [1,1,0,0,0,0|2,0,0]=4 4110 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100000759063_100000210682 [1,1,0,0,0,0|2,0,0]=4 4111 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011215641 [1,1,0,0,0,0|2,0,0]=4 4112 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011215641 [1,1,0,0,0,0|2,0,0]=4 4113 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100011215641_100000210682 [1,1,0,0,0,0|2,0,0]=4 4114 B14R0.68 CC(C)CCCCCCCOCC(=O)N 34a_200000210741_100000187820 [1,1,0,0,0,0|2,0,0]=4 4115 B14R0.68 CC(C)CCCCCCCOCC(=O)N 7a_200000210741_100000187820 [1,1,0,0,0,0|2,0,0]=4 4116 B14R0.68 CC(C)CCCCCCCOCC(=O)[O-] 34a_200000210741_100020667443 [1,1,0,0,0,0|1,0,1]=4 4117 B14R0.68 CC(C)CCCCCCNCCC(=O)N 2230a_100000211014_100000744528 [1,1,0,0,0,0|2,0,0]=4 4118 B14R0.68 CC(C)CCCCCCNCCC(=O)N 34a_100000211014_100000731001 [1,1,0,0,0,0|2,0,0]=4 4119 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100000739312_100000210682 [1,1,0,0,0,0|2,0,0]=4 4120 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100011290863_100102525003 [1,1,0,0,0,0|2,0,0]=4 4121 B14R0.68 CC(C)CCCCCOCCCC(=O)N 34a_100011995859_100102525003 [1,1,0,0,0,0|2,0,0]=4 4122 B14R0.68 CC(C)CCCCCOCCCC(=O)N 7a_100011995859_100102525003 [1,1,0,0,0,0|2,0,0]=4 4123 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100000210682_100102525003 [1,1,0,0,0,0|2,0,0]=4 4124 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100102525003_100000210682 [1,1,0,0,0,0|2,0,0]=4 4125 B14R0.68 CC(C)CCCCNCCCCC(=O)N 34a_100000696515_100011216152 [1,1,0,0,0,0|2,0,0]=4 4126 B14R0.68 CC(C)CCCCNCCOCC(=O)O 269956a_100000700818_100011216152 [1,1,0,0,0,0|2,0,0]=4 4127 B14R0.68 CC(C)CCCCOCCCCC(=O)N 34a_100012022536_100011216152 [1,1,0,0,0,0|2,0,0]=4 4128 B14R0.68 CC(C)CCCCOCCCCC(=O)N 7a_100012022536_100011216152 [1,1,0,0,0,0|2,0,0]=4 4129 B14R0.68 CC(C)CCCNCCCCCC(=O)N 2230a_200000737386_100009817443 [1,1,0,0,0,0|2,0,0]=4 4130 B14R0.68 CC(C)CCCNCCCCCC(=O)N 34a_200000737386_100009817443 [1,1,0,0,0,0|2,0,0]=4 4131 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000123541_100011214892 [1,1,0,0,0,0|2,0,0]=4 4132 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000210774_100009817443 [1,1,0,0,0,0|2,0,0]=4 4133 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000123541_100011214892 [1,1,0,0,0,0|2,0,0]=4 4134 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000210774_100009817443 [1,1,0,0,0,0|2,0,0]=4 4135 B14R0.68 CC(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011214892 [1,1,0,0,0,0|1,0,1]=4 4136 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100009817443_100011214892 [1,1,0,0,0,0|2,0,0]=4 4137 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100011214892_100009817443 [1,1,0,0,0,0|2,0,0]=4 4138 B14R0.68 CC(O)CCCOCCCCCC(=O)N 34a_100000123541_200000718107 [1,1,0,0,0,0|2,0,0]=4 4139 B14R0.68 CC(O)CCCOCCCCCC(=O)N 7a_100000123541_200000718107 [1,1,0,0,0,0|2,0,0]=4 4140 B14R0.68 CC(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_200000718107 [1,1,0,0,0,0|1,0,1]=4 4141 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_100009817443_200000718107 [1,1,0,0,0,0|2,0,0]=4 4142 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_200000718107_100009817443 [1,1,0,0,0,0|2,0,0]=4 4143 B14R0.153 CCCCC(C)CCCCOCC(=O)N 34a_200011021034_100000187820 [1,1,0,0,0,0|2,0,0]=4 4144 B14R0.153 CCCCC(C)CCCCOCC(=O)N 7a_200011021034_100000187820 [1,1,0,0,0,0|2,0,0]=4 4145 B14R0.153 CCCCC(C)CCCCOCC(=O)[O-] 34a_200011021034_100020667443 [1,1,0,0,0,0|1,0,1]=4 4146 B14R0.153 CCCCC(C)COCCCCC(=O)C 34a_100011995851_100009817362 [1,1,0,0,0,0|2,0,0]=4 4147 B14R0.153 CCCCC(C)COCCCCC(=O)C 7a_100011995851_100000735457 [1,1,0,0,0,0|2,0,0]=4 4148 B14R0.153 CCCCC(C)NCCCCCC(=O)N 2230a_100000126638_100009817443 [1,1,0,0,0,0|2,0,0]=4 4149 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011215066 [1,1,0,0,0,0|2,0,0]=4 4150 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000687866_100009817443 [1,1,0,0,0,0|2,0,0]=4 4151 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011215066 [1,1,0,0,0,0|2,0,0]=4 4152 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000687866_100009817443 [1,1,0,0,0,0|2,0,0]=4 4153 B14R0.153 CCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011215066 [1,1,0,0,0,0|1,0,1]=4 4154 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011215066 [1,1,0,0,0,0|2,0,0]=4 4155 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_200011215066_100009817443 [1,1,0,0,0,0|2,0,0]=4 4156 B14R0.153 CCCC[C@H](N)COCCCCC(=O)C 34a_100011934283_100009817362 [1,1,0,0,0,0|2,0,0]=4 4157 B14R0.231 CCCCCC(=O)CCCCCC(=O)N 1458a_100000212188_100009817443 [1,1,0,0,0,0|1,0,1]=4 4158 B14R0.231 CCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211708 [1,1,0,0,0,0|2,0,0]=4 4159 B14R0.231 CCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218191 [1,1,0,0,0,0|2,0,0]=4 4160 B14R0.231 CCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218191 [1,1,0,0,0,0|2,0,0]=4 4161 B14R0.231 CCCCCC(C)OCCCCC(=O)C 34a_100011215632_100009817362 [1,1,0,0,0,0|2,0,0]=4 4162 B14R0.231 CCCCCC(C)OCCCCC(=O)C 7a_100011215632_100000735457 [1,1,0,0,0,0|2,0,0]=4 4163 B14R0.231 CCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218191 [1,1,0,0,0,0|2,0,0]=4 4164 B14R0.231 CCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218191 [1,1,0,0,0,0|2,0,0]=4 4165 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218191 [1,1,0,0,0,0|2,0,0]=4 4166 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_200011218191_100000735457 [1,1,0,0,0,0|2,0,0]=4 4167 B14R0.231 CCCCCN(C)CCCCCC(=O)N 2230a_100000223495_100009817443 [1,1,0,0,0,0|2,0,0]=4 4168 B14R0.231 CCCCCN(C)CCCCCC(=O)N 269982a_100000223495_100009817443 [1,1,0,0,0,0|2,0,0]=4 4169 B14R0.305 CCC(C)CCCCCOCCC(=O)C 7a_200000035636_100000053229 [1,1,0,0,0,0|2,0,0]=4 4170 B14R0.305 CCC(C)CCCCCOCCC(=O)N 7a_200000035636_100000744528 [1,1,0,0,0,0|2,0,0]=4 4171 B14R0.305 CCC(C)CCCOCCCCC(=O)C 7a_100011216074_100000735457 [1,1,0,0,0,0|2,0,0]=4 4172 B14R0.305 CCC(C)CCNCCCCCC(=O)N 2230a_100020591266_100009817443 [1,1,0,0,0,0|2,0,0]=4 4173 B14R0.305 CCC(C)CCOCCCCCC(=O)N 7a_100011215188_100009817443 [1,1,0,0,0,0|2,0,0]=4 4174 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [1,1,0,0,0,0|1,0,0]=3 4175 B14R0.337 C#CC(=O)CCCCCCCCCCO 1458a_100000211873_100009813290 [1,1,0,0,0,0|2,0,0]=4 4176 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [1,1,0,0,0,0|1,0,0]=3 4177 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [1,1,0,0,0,0|2,0,0]=4 4178 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [1,1,0,0,0,0|2,0,0]=4 4179 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [1,1,0,0,0,0|2,0,0]=4 4180 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [1,1,0,0,0,0|0,0,2]=4 4181 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [1,1,0,0,0,0|2,0,0]=4 4182 B14R0.337 CCC(=O)COCCCCCCCCBr 7a_100009813846_100000747405 [1,1,0,0,0,0|2,0,0]=4 4183 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [1,1,0,0,0,0|1,0,0]=3 4184 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [1,1,0,0,0,0|1,0,0]=3 4185 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [1,1,0,0,0,0|1,0,0]=3 4186 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [1,1,0,0,0,0|0,0,0]=2 4187 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [1,1,0,0,0,0|1,0,0]=3 4188 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [1,1,0,0,0,0|1,0,0]=3 4189 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [1,1,0,0,0,0|1,0,0]=3 4190 B14R0.337 CCCCCCCCCCCC(C)OC 34a_100011217895_200000210301 [1,1,0,0,0,0|1,0,1]=4 4191 B14R0.337 CCCCCCCCCCCC(C)OC 7a_100011217895_200000210301 [1,1,0,0,0,0|1,0,1]=4 4192 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 34a_100011217895_200025704644 [1,1,0,0,0,0|1,0,1]=4 4193 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 7a_100011217895_200025704644 [1,1,0,0,0,0|1,0,1]=4 4194 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 4195 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 4196 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 4197 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 4198 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [1,1,0,0,0,0|1,0,0]=3 4199 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [1,1,0,0,0,0|1,0,0]=3 4200 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [1,1,0,0,0,0|2,0,0]=4 4201 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [1,1,0,0,0,0|2,0,0]=4 4202 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [1,1,0,0,0,0|2,0,0]=4 4203 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [1,1,0,0,0,0|2,0,0]=4 4204 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [1,1,0,0,0,0|2,0,0]=4 4205 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [1,1,0,0,0,0|2,0,0]=4 4206 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [1,1,0,0,0,0|2,0,0]=4 4207 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [1,1,0,0,0,0|2,0,0]=4 4208 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [1,1,0,0,0,0|2,0,0]=4 4209 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [1,1,0,0,0,0|1,0,0]=3 4210 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [1,1,0,0,0,0|1,0,0]=3 4211 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [1,1,0,0,0,0|2,0,0]=4 4212 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [1,1,0,0,0,0|2,0,0]=4 4213 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [1,1,0,0,0,0|2,0,0]=4 4214 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [1,1,0,0,0,0|2,0,0]=4 4215 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [1,1,0,0,0,0|2,0,0]=4 4216 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [1,1,0,0,0,0|1,0,0]=3 4217 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [1,1,0,0,0,0|1,0,0]=3 4218 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [1,1,0,0,0,0|2,0,0]=4 4219 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [1,1,0,0,0,0|2,0,0]=4 4220 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [1,1,0,0,0,0|1,0,0]=3 4221 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [1,1,0,0,0,0|2,0,0]=4 4222 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [1,1,0,0,0,0|2,0,0]=4 4223 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [1,1,0,0,0,0|2,0,0]=4 4224 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [1,1,0,0,0,0|2,0,0]=4 4225 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [1,1,0,0,0,0|1,0,0]=3 4226 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [1,1,0,0,0,0|1,0,0]=3 4227 B14R0.337 CCCCCCCCOCCC(=NO)N 34a_100000749954_100000210759 [1,1,0,0,0,0|2,0,0]=4 4228 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [1,1,0,0,0,0|2,0,0]=4 4229 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [1,1,0,0,0,0|2,0,0]=4 4230 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [1,1,0,0,0,0|2,0,0]=4 4231 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [1,1,0,0,0,0|1,0,0]=3 4232 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [1,1,0,0,0,0|1,0,0]=3 4233 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [1,1,0,0,0,0|2,0,0]=4 4234 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [1,1,0,0,0,0|2,0,0]=4 4235 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [1,1,0,0,0,0|1,0,0]=3 4236 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [1,1,0,0,0,0|1,0,0]=3 4237 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [1,1,0,0,0,0|2,0,0]=4 4238 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [1,1,0,0,0,0|2,0,0]=4 4239 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [1,1,0,0,0,0|2,0,0]=4 4240 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [1,1,0,0,0,0|2,0,0]=4 4241 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [1,1,0,0,0,0|1,0,0]=3 4242 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [1,1,0,0,0,0|2,0,0]=4 4243 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [1,1,0,0,0,0|2,0,0]=4 4244 B14R0.337 CCCCCCCOCCCC(=O)NN 34a_100000211488_100000210614 [1,1,0,0,0,0|2,0,0]=4 4245 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [1,1,0,0,0,0|1,0,0]=3 4246 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [1,1,0,0,0,0|1,0,0]=3 4247 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [1,1,0,0,0,0|2,0,0]=4 4248 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [1,1,0,0,0,0|2,0,0]=4 4249 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [1,1,0,0,0,0|2,0,0]=4 4250 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [1,1,0,0,0,0|2,0,0]=4 4251 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [1,1,0,0,0,0|1,0,0]=3 4252 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [1,1,0,0,0,0|1,0,0]=3 4253 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [1,1,0,0,0,0|1,0,0]=3 4254 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [1,1,0,0,0,0|2,0,0]=4 4255 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [1,1,0,0,0,0|1,0,0]=3 4256 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [1,1,0,0,0,0|1,0,0]=3 4257 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [1,1,0,0,0,0|1,0,0]=3 4258 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [1,1,0,0,0,0|1,0,0]=3 4259 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [1,1,0,0,0,0|2,0,0]=4 4260 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [1,1,0,0,0,0|2,0,0]=4 4261 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [1,1,0,0,0,0|2,0,0]=4 4262 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [1,1,0,0,0,0|2,0,0]=4 4263 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [1,1,0,0,0,0|1,0,0]=3 4264 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [1,1,0,0,0,0|1,0,0]=3 4265 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [1,1,0,0,0,0|2,0,0]=4 4266 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [1,1,0,0,0,0|2,0,0]=4 4267 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [1,1,0,0,0,0|1,0,0]=3 4268 B14R0.337 CCCCCNCCOCCC(=O)OC 34a_100000224656_100000742370 [1,1,0,0,0,0|2,0,0]=4 4269 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [1,1,0,0,0,0|1,0,0]=3 4270 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [1,1,0,0,0,0|1,0,0]=3 4271 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [1,1,0,0,0,0|1,0,0]=3 4272 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [1,1,0,0,0,0|1,0,0]=3 4273 B14R0.337 CCCCCOCCOCCC(=O)OC 34a_100011215259_100000742370 [1,1,0,0,0,0|2,0,0]=4 4274 B14R0.337 CCCCCOCCOCCC(=O)OC 7a_100011215259_100000204255 [1,1,0,0,0,0|2,0,0]=4 4275 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [1,1,0,0,0,0|1,0,0]=3 4276 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [1,1,0,0,0,0|1,0,0]=3 4277 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [1,1,0,0,0,0|1,0,0]=3 4278 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [1,1,0,0,0,0|1,0,0]=3 4279 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [1,1,0,0,0,0|2,0,0]=4 4280 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [1,1,0,0,0,0|1,0,0]=3 4281 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [1,1,0,0,0,0|1,0,0]=3 4282 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [1,1,0,0,0,0|1,0,0]=3 4283 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [1,1,0,0,0,0|1,0,0]=3 4284 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [1,1,0,0,0,0|2,0,0]=4 4285 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [1,1,0,0,0,0|2,0,0]=4 4286 B14R0.337 CCCCOCCCNCCC(=O)OC 2230a_200000211371_100000204255 [1,1,0,0,0,0|2,0,0]=4 4287 B14R0.337 CCCCOCCCNCCC(=O)OC 34a_200000211371_100000742370 [1,1,0,0,0,0|2,0,0]=4 4288 B14R0.337 CCCCOCCCOCCC(=O)OC 34a_200011215613_100000742370 [1,1,0,0,0,0|2,0,0]=4 4289 B14R0.337 CCCCOCCCOCCC(=O)OC 7a_200011215613_100000204255 [1,1,0,0,0,0|2,0,0]=4 4290 B14R0.337 CCCCOCCOCCCC(=O)OC 34a_100000210238_100000742333 [1,1,0,0,0,0|2,0,0]=4 4291 B14R0.337 CCCCOCCOCCCC(=O)OC 7a_100000210238_100011218270 [1,1,0,0,0,0|2,0,0]=4 4292 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100000743108_100011218270 [1,1,0,0,0,0|2,0,0]=4 4293 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100011218270_100000743108 [1,1,0,0,0,0|2,0,0]=4 4294 B14R0.337 CCCCOCOCCCCC(=O)OC 34a_100000059025_100011995733 [1,1,0,0,0,0|2,0,0]=4 4295 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100000204269_100011995733 [1,1,0,0,0,0|2,0,0]=4 4296 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100011995733_100000204269 [1,1,0,0,0,0|2,0,0]=4 4297 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [1,1,0,0,0,0|1,0,0]=3 4298 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [1,1,0,0,0,0|1,0,0]=3 4299 B14R0.337 CCCCSCCNCCCC(=O)OC 2230a_100025743550_100011218270 [1,1,0,0,0,0|2,0,0]=4 4300 B14R0.337 CCCCSCCOCCCC(=O)OC 34a_200000230436_100000742333 [1,1,0,0,0,0|2,0,0]=4 4301 B14R0.337 CCCCSCCOCCCC(=O)OC 7a_200000230436_100011218270 [1,1,0,0,0,0|2,0,0]=4 4302 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [1,1,0,0,0,0|1,0,0]=3 4303 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [1,1,0,0,0,0|1,0,0]=3 4304 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [1,1,0,0,0,0|1,0,0]=3 4305 B14R0.337 CCCOCCCNCCCC(=O)OC 2230a_100011217757_100011218270 [1,1,0,0,0,0|2,0,0]=4 4306 B14R0.337 CCCOCCCNCCCC(=O)OC 34a_100011217757_100000742333 [1,1,0,0,0,0|2,0,0]=4 4307 B14R0.337 CCCOCCNCCCCC(=O)OC 2230a_100161115042_100000204269 [1,1,0,0,0,0|2,0,0]=4 4308 B14R0.337 CCCOCCNCCCCC(=O)OC 34a_100161115042_100000204269 [1,1,0,0,0,0|2,0,0]=4 4309 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000059025_100011215938 [1,1,0,0,0,0|2,0,0]=4 4310 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000752267_100000204269 [1,1,0,0,0,0|2,0,0]=4 4311 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000059025_100011215938 [1,1,0,0,0,0|2,0,0]=4 4312 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000752267_100000204269 [1,1,0,0,0,0|2,0,0]=4 4313 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100000204269_100011215938 [1,1,0,0,0,0|2,0,0]=4 4314 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100011215938_100000204269 [1,1,0,0,0,0|2,0,0]=4 4315 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [1,1,0,0,0,0|1,0,0]=3 4316 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [1,1,0,0,0,0|1,0,0]=3 4317 B14R0.337 CCCSCCNCCCCC(=O)OC 2230a_100020603323_100000204269 [1,1,0,0,0,0|2,0,0]=4 4318 B14R0.337 CCCSCCOCCCCC(=O)OC 34a_200000230433_100000204269 [1,1,0,0,0,0|2,0,0]=4 4319 B14R0.337 CCCSCCOCCCCC(=O)OC 7a_200000230433_100000204269 [1,1,0,0,0,0|2,0,0]=4 4320 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [1,1,0,0,0,0|1,0,0]=3 4321 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [1,1,0,0,0,0|1,0,0]=3 4322 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [1,1,0,0,0,0|1,0,0]=3 4323 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [1,1,0,0,0,0|1,0,0]=3 4324 B14R0.337 CCOCCCNCCCCC(=O)OC 2230a_100000210961_100000204269 [1,1,0,0,0,0|2,0,0]=4 4325 B14R0.337 CCOCCCNCCCCC(=O)OC 34a_100000210961_100000204269 [1,1,0,0,0,0|2,0,0]=4 4326 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000059025_100012232248 [1,1,0,0,0,0|2,0,0]=4 4327 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000757476_100000204269 [1,1,0,0,0,0|2,0,0]=4 4328 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000059025_100012232248 [1,1,0,0,0,0|2,0,0]=4 4329 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000757476_100000204269 [1,1,0,0,0,0|2,0,0]=4 4330 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100000204269_100012232248 [1,1,0,0,0,0|2,0,0]=4 4331 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100012232248_100000204269 [1,1,0,0,0,0|2,0,0]=4 4332 B14R0.337 CCOCCNCCCCCC(=O)OC 2230a_102516460346_100009816466 [1,1,0,0,0,0|2,0,0]=4 4333 B14R0.337 CCOCCNCCCCCC(=O)OC 34a_102516460346_100009816466 [1,1,0,0,0,0|2,0,0]=4 4334 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000074720_100000210147 [1,1,0,0,0,0|2,0,0]=4 4335 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000210136_100009816466 [1,1,0,0,0,0|2,0,0]=4 4336 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000074720_100011215890 [1,1,0,0,0,0|2,0,0]=4 4337 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000210136_100009816466 [1,1,0,0,0,0|2,0,0]=4 4338 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100000210147_100009816466 [1,1,0,0,0,0|2,0,0]=4 4339 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100009816466_100011215890 [1,1,0,0,0,0|2,0,0]=4 4340 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100000739092_100009815986 [1,1,0,0,0,0|2,0,0]=4 4341 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100009815986_100000739092 [1,1,0,0,0,0|2,0,0]=4 4342 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [1,1,0,0,0,0|1,0,0]=3 4343 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [1,1,0,0,0,0|1,0,0]=3 4344 B14R0.337 CCSCCCOCCCCC(=O)OC 34a_100011216438_100000204269 [1,1,0,0,0,0|2,0,0]=4 4345 B14R0.337 CCSCCCOCCCCC(=O)OC 7a_100011216438_100000204269 [1,1,0,0,0,0|2,0,0]=4 4346 B14R0.337 CCSCCNCCCCCC(=O)OC 2230a_100000106463_100009816466 [1,1,0,0,0,0|2,0,0]=4 4347 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000074720_100000757381 [1,1,0,0,0,0|2,0,0]=4 4348 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000212035_100009816466 [1,1,0,0,0,0|2,0,0]=4 4349 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000074720_100000757381 [1,1,0,0,0,0|2,0,0]=4 4350 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000212035_100009816466 [1,1,0,0,0,0|2,0,0]=4 4351 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100000757381_100009816466 [1,1,0,0,0,0|2,0,0]=4 4352 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100009816466_100000757381 [1,1,0,0,0,0|2,0,0]=4 4353 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [1,1,0,0,0,0|2,0,0]=4 4354 B14R0.337 CNC(=O)CCCOCCCCCCBr 34a_100011215345_100000741757 [1,1,0,0,0,0|2,0,0]=4 4355 B14R0.337 CNC(=O)CCCOCCCCCCBr 7a_100011215345_100000741757 [1,1,0,0,0,0|2,0,0]=4 4356 B14R0.337 CNC(=O)CCOCCCCCCCBr 34a_100000760002_100012179268 [1,1,0,0,0,0|2,0,0]=4 4357 B14R0.337 CNC(=O)CCOCCCCCCCBr 7a_100000760002_100000737683 [1,1,0,0,0,0|2,0,0]=4 4358 B14R0.337 CNC(=O)COCCCCCCCCBr 34a_100009813846_100000183359 [1,1,0,0,0,0|2,0,0]=4 4359 B14R0.337 CNC(=O)COCCCCCCCCBr 7a_100009813846_100000183359 [1,1,0,0,0,0|2,0,0]=4 4360 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [1,1,0,0,0,0|1,0,0]=3 4361 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [1,1,0,0,0,0|1,0,0]=3 4362 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [1,1,0,0,0,0|1,0,0]=3 4363 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [1,1,0,0,0,0|2,0,0]=4 4364 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [1,1,0,0,0,0|2,0,0]=4 4365 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [1,1,0,0,0,0|1,0,0]=3 4366 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [1,1,0,0,0,0|1,0,0]=3 4367 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [1,1,0,0,0,0|1,1,0]=4 4368 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [1,1,0,0,0,0|1,1,0]=4 4369 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [1,1,0,0,0,0|1,1,0]=4 4370 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [1,1,0,0,0,0|1,1,0]=4 4371 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [1,1,0,0,0,0|1,1,0]=4 4372 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [1,1,0,0,0,0|2,0,0]=4 4373 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [1,1,0,0,0,0|2,0,0]=4 4374 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [1,1,0,0,0,0|1,0,0]=3 4375 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [1,1,0,0,0,0|1,1,0]=4 4376 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [1,1,0,0,0,0|1,1,0]=4 4377 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [1,1,0,0,0,0|2,0,0]=4 4378 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [1,1,0,0,0,0|2,0,0]=4 4379 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [1,1,0,0,0,0|2,0,0]=4 4380 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [1,1,0,0,0,0|2,0,0]=4 4381 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [1,1,0,0,0,0|1,1,0]=4 4382 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [1,1,0,0,0,0|1,1,0]=4 4383 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [1,1,0,0,0,0|2,0,0]=4 4384 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [1,1,0,0,0,0|2,0,0]=4 4385 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [1,1,0,0,0,0|2,0,0]=4 4386 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [1,1,0,0,0,0|2,0,0]=4 4387 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [1,1,0,0,0,0|1,1,0]=4 4388 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [1,1,0,0,0,0|1,1,0]=4 4389 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [1,1,0,0,0,0|2,0,0]=4 4390 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [1,1,0,0,0,0|1,0,0]=3 4391 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [1,1,0,0,0,0|1,1,0]=4 4392 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [1,1,0,0,0,0|1,1,0]=4 4393 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [1,1,0,0,0,0|1,1,0]=4 4394 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [1,1,0,0,0,0|1,1,0]=4 4395 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [1,1,0,0,0,0|2,0,0]=4 4396 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [1,1,0,0,0,0|2,0,0]=4 4397 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [1,1,0,0,0,0|2,0,0]=4 4398 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [1,1,0,0,0,0|2,0,0]=4 4399 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [1,1,0,0,0,0|2,0,0]=4 4400 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [1,1,0,0,0,0|2,0,0]=4 4401 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [1,1,0,0,0,0|2,0,0]=4 4402 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [1,1,0,0,0,0|1,1,0]=4 4403 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [1,1,0,0,0,0|1,1,0]=4 4404 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [1,1,0,0,0,0|2,0,0]=4 4405 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [1,1,0,0,0,0|2,0,0]=4 4406 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [1,1,0,0,0,0|2,0,0]=4 4407 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [1,1,0,0,0,0|2,0,0]=4 4408 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [1,1,0,0,0,0|2,0,0]=4 4409 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [1,1,0,0,0,0|2,0,0]=4 4410 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [1,1,0,0,0,0|2,0,0]=4 4411 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [1,1,0,0,0,0|1,0,0]=3 4412 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [1,1,0,0,0,0|1,1,0]=4 4413 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [1,1,0,0,0,0|1,1,0]=4 4414 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [1,1,0,0,0,0|1,1,0]=4 4415 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [1,1,0,0,0,0|1,1,0]=4 4416 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [1,1,0,0,0,0|1,1,0]=4 4417 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [1,1,0,0,0,0|1,1,0]=4 4418 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [1,1,0,0,0,0|1,1,0]=4 4419 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [1,1,0,0,0,0|2,0,0]=4 4420 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [1,1,0,0,0,0|2,0,0]=4 4421 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [1,1,0,0,0,0|2,0,0]=4 4422 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [1,1,0,0,0,0|2,0,0]=4 4423 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [1,1,0,0,0,0|2,0,0]=4 4424 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [1,1,0,0,0,0|1,1,0]=4 4425 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [1,1,0,0,0,0|1,1,0]=4 4426 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [1,1,0,0,0,0|2,0,0]=4 4427 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [1,1,0,0,0,0|2,0,0]=4 4428 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [1,1,0,0,0,0|2,0,0]=4 4429 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [1,1,0,0,0,0|2,0,0]=4 4430 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [1,1,0,0,0,0|1,0,0]=3 4431 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [1,1,0,0,0,0|1,0,0]=3 4432 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [1,1,0,0,0,0|1,1,0]=4 4433 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [1,1,0,0,0,0|1,1,0]=4 4434 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [1,1,0,0,0,0|1,1,0]=4 4435 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [1,1,0,0,0,0|1,1,0]=4 4436 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [1,1,0,0,0,0|1,1,0]=4 4437 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [1,1,0,0,0,0|1,1,0]=4 4438 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [1,1,0,0,0,0|2,0,0]=4 4439 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [1,1,0,0,0,0|2,0,0]=4 4440 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [1,1,0,0,0,0|2,0,0]=4 4441 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [1,1,0,0,0,0|2,0,0]=4 4442 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [1,1,0,0,0,0|2,0,0]=4 4443 B14R0.337 COC(=O)CCCCOCCOCCBr 34a_100000692535_100000204269 [1,1,0,0,0,0|2,0,0]=4 4444 B14R0.337 COC(=O)CCCCOCCOCCBr 7a_100000692535_100000204269 [1,1,0,0,0,0|2,0,0]=4 4445 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [1,1,0,0,0,0|1,1,0]=4 4446 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [1,1,0,0,0,0|1,1,0]=4 4447 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [1,1,0,0,0,0|2,0,0]=4 4448 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [1,1,0,0,0,0|2,0,0]=4 4449 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [1,1,0,0,0,0|2,0,0]=4 4450 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [1,1,0,0,0,0|2,0,0]=4 4451 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [1,1,0,0,0,0|1,0,0]=3 4452 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [1,1,0,0,0,0|1,0,0]=3 4453 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [1,1,0,0,0,0|1,1,0]=4 4454 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [1,1,0,0,0,0|1,1,0]=4 4455 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [1,1,0,0,0,0|1,1,0]=4 4456 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [1,1,0,0,0,0|1,1,0]=4 4457 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [1,1,0,0,0,0|2,0,0]=4 4458 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [1,1,0,0,0,0|1,1,0]=4 4459 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [1,1,0,0,0,0|1,1,0]=4 4460 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [1,1,0,0,0,0|2,0,0]=4 4461 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [1,1,0,0,0,0|2,0,0]=4 4462 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [1,1,0,0,0,0|2,0,0]=4 4463 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [1,1,0,0,0,0|2,0,0]=4 4464 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [1,1,0,0,0,0|1,0,0]=3 4465 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [1,1,0,0,0,0|1,0,0]=3 4466 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [1,1,0,0,0,0|2,0,0]=4 4467 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [1,1,0,0,0,0|2,0,0]=4 4468 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [1,1,0,0,0,0|2,0,0]=4 4469 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [1,1,0,0,0,0|2,0,0]=4 4470 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [1,1,0,0,0,0|2,0,0]=4 4471 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [1,1,0,0,0,0|1,0,0]=3 4472 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [1,1,0,0,0,0|1,0,0]=3 4473 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [1,1,0,0,0,0|1,1,0]=4 4474 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [1,1,0,0,0,0|1,1,0]=4 4475 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [1,1,0,0,0,0|2,0,0]=4 4476 B14R0.337 COC(=O)COCCOCCCCCBr 34a_100000746331_100000090808 [1,1,0,0,0,0|2,0,0]=4 4477 B14R0.337 COC(=O)COCCOCCCCCBr 7a_100000746331_100000090808 [1,1,0,0,0,0|2,0,0]=4 4478 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [1,1,0,0,0,0|2,0,0]=4 4479 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [1,1,0,0,0,0|2,0,0]=4 4480 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [1,1,0,0,0,0|1,0,0]=3 4481 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [1,1,0,0,0,0|2,0,0]=4 4482 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [1,1,0,0,0,0|2,0,0]=4 4483 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [1,1,0,0,0,0|2,0,0]=4 4484 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [1,1,0,0,0,0|2,0,0]=4 4485 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [1,1,0,0,0,0|2,0,0]=4 4486 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [1,1,0,0,0,0|2,0,0]=4 4487 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [1,1,0,0,0,0|2,0,0]=4 4488 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [1,1,0,0,0,0|2,0,0]=4 4489 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [1,1,0,0,0,0|2,0,0]=4 4490 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [1,1,0,0,0,0|2,0,0]=4 4491 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [1,1,0,0,0,0|2,0,0]=4 4492 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [1,1,0,0,0,0|2,0,0]=4 4493 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [1,1,0,0,0,0|2,0,0]=4 4494 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [1,1,0,0,0,0|2,0,0]=4 4495 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [1,1,0,0,0,0|2,0,0]=4 4496 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [1,1,0,0,0,0|2,0,0]=4 4497 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [1,1,0,0,0,0|2,0,0]=4 4498 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [1,1,0,0,0,0|2,0,0]=4 4499 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [1,1,0,0,0,0|2,0,0]=4 4500 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [1,1,0,0,0,0|2,0,0]=4 4501 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [1,1,0,0,0,0|2,0,0]=4 4502 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [1,1,0,0,0,0|2,0,0]=4 4503 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [1,1,0,0,0,0|2,0,0]=4 4504 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [1,1,0,0,0,0|2,0,0]=4 4505 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [1,1,0,0,0,0|2,0,0]=4 4506 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [1,1,0,0,0,0|1,0,0]=3 4507 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [1,1,0,0,0,0|2,0,0]=4 4508 B14R0.340 CC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000179758 [1,1,0,0,0,0|2,0,0]=4 4509 B14R0.340 CC(CNCCCCCCCO)C(=O)O 269956a_100000749485_100000760002 [1,1,0,0,0,0|2,0,0]=4 4510 B14R0.340 CC(OCCCCCCCCBr)C(=O)N 34a_100009813846_100000702099 [1,1,0,0,0,0|2,0,0]=4 4511 B14R0.340 CC(OCCCCCCCCBr)C(=O)N 7a_100009813846_100000702099 [1,1,0,0,0,0|2,0,0]=4 4512 B14R0.340 CCCCCCCCCCN(C)C(=O)C 11a_100000207566_100015343762 [1,1,0,0,0,0|2,0,0]=4 4513 B14R0.340 CCCCCCCCCCN(C)C(=O)C 1626a_100000207566_100015343762 [1,1,0,0,0,0|2,0,0]=4 4514 B14R0.340 CCCCCCCCCCN(C)C(=O)C 240690a_100000207566_100015343762 [1,1,0,0,0,0|2,0,0]=4 4515 B14R0.340 CCCCCCCCCCN(C)C(=O)C 527a_100000207566_100103153847 [1,1,0,0,0,0|2,0,0]=4 4516 B14R0.340 CCCCCCCCCNC(C)C(=O)C 2230a_100000212291_100009814033 [1,1,0,0,0,0|2,0,0]=4 4517 B14R0.340 CCCCCCCCCNC(C)C(=O)N 2230a_100000212291_100000702099 [1,1,0,0,0,0|2,0,0]=4 4518 B14R0.340 CCCCCCCCCNC(C)C(=O)N 34a_100000212291_100000702099 [1,1,0,0,0,0|2,0,0]=4 4519 B14R0.340 CCCCCCCCCNC(F)C(=O)N 2230a_100000212291_100009813875 [1,1,0,0,0,0|2,0,0]=4 4520 B14R0.340 CCCCCCCCCNC(F)C(=O)N 34a_100000212291_100009813875 [1,1,0,0,0,0|2,0,0]=4 4521 B14R0.340 CCCCCCCCCNC(F)C(=O)[O-] 34a_100000212291_100020610796 [1,1,0,0,0,0|1,0,1]=4 4522 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [1,1,0,0,0,0|1,0,0]=3 4523 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011214924 [1,1,0,0,0,0|2,0,0]=4 4524 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011214924 [1,1,0,0,0,0|2,0,0]=4 4525 B14R0.340 CCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011214924 [1,1,0,0,0,0|2,0,0]=4 4526 B14R0.340 CCCCCCCCCOC(C)C(=O)C 7a_100000210712_100000179758 [1,1,0,0,0,0|2,0,0]=4 4527 B14R0.340 CCCCCCCCCOC(C)C(=O)N 34a_100000210712_100000702099 [1,1,0,0,0,0|2,0,0]=4 4528 B14R0.340 CCCCCCCCCOC(C)C(=O)N 7a_100000210712_100000702099 [1,1,0,0,0,0|2,0,0]=4 4529 B14R0.340 CCCCCCCCCOC(F)C(=O)N 34a_100000210712_100009813875 [1,1,0,0,0,0|2,0,0]=4 4530 B14R0.340 CCCCCCCCCOC(F)C(=O)N 7a_100000210712_100009813875 [1,1,0,0,0,0|2,0,0]=4 4531 B14R0.340 CCCCCCCCCOC(F)C(=O)[O-] 34a_100000210712_100020610796 [1,1,0,0,0,0|1,0,1]=4 4532 B14R0.340 CCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210328 [1,1,0,0,0,0|1,0,1]=4 4533 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011214924 [1,1,0,0,0,0|2,0,0]=4 4534 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210328 [1,1,0,0,0,0|2,0,0]=4 4535 B14R0.340 CCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210670 [1,1,0,0,0,0|2,0,0]=4 4536 B14R0.340 CCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210670 [1,1,0,0,0,0|2,0,0]=4 4537 B14R0.340 CCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210670 [1,1,0,0,0,0|2,0,0]=4 4538 B14R0.340 CCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210670 [1,1,0,0,0,0|1,0,1]=4 4539 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [1,1,0,0,0,0|1,0,0]=3 4540 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [1,1,0,0,0,0|1,0,0]=3 4541 B14R0.340 CCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210759 [1,1,0,0,0,0|2,0,0]=4 4542 B14R0.340 CCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210759 [1,1,0,0,0,0|2,0,0]=4 4543 B14R0.340 CCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210759 [1,1,0,0,0,0|2,0,0]=4 4544 B14R0.340 COCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011998445 [1,1,0,0,0,0|2,0,0]=4 4545 B14R0.340 COCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011998445 [1,1,0,0,0,0|2,0,0]=4 4546 B14R0.340 C[C@H](NCCCCCCCCO)C(=O)O 269956a_100000743915_100000033203 [1,1,0,0,0,0|2,0,0]=4 4547 B14R0.340 NC(=O)C(F)OCCCCCCCCBr 34a_100009813846_100009813875 [1,1,0,0,0,0|2,0,0]=4 4548 B14R0.340 NC(=O)C(F)OCCCCCCCCBr 7a_100009813846_100009813875 [1,1,0,0,0,0|2,0,0]=4 4549 B14R0.340 O=C(O)C(F)CNCCCCCCCO 269956a_100000084737_100000760002 [1,1,0,0,0,0|2,0,0]=4 4550 B14R0.340 O=C([O-])C(F)OCCCCCCCCBr 34a_100009813846_100020610796 [1,1,0,0,0,0|1,0,1]=4 4551 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [1,1,0,0,0,0|1,0,1]=4 4552 B14R0.344 CCCCCCCCC(C)OCC(=O)N 34a_100000210740_100000187820 [1,1,0,0,0,0|2,0,0]=4 4553 B14R0.344 CCCCCCCCC(C)OCC(=O)N 7a_100000210740_100000187820 [1,1,0,0,0,0|2,0,0]=4 4554 B14R0.344 CCCCCCCCC(C)OCC(=O)[O-] 34a_100000210740_100020667443 [1,1,0,0,0,0|1,0,1]=4 4555 B14R0.344 CCCCCCCCN(C)CCC(=O)C 269982a_100000207567_100000053229 [1,1,0,0,0,0|2,0,0]=4 4556 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000207567_100000744528 [1,1,0,0,0,0|2,0,0]=4 4557 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210759 [1,1,0,0,0,0|2,0,0]=4 4558 B14R0.344 CCCCCCCCN(C)CCC(=O)N 269982a_100000207567_100000744528 [1,1,0,0,0,0|2,0,0]=4 4559 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [1,1,0,0,0,0|1,0,1]=4 4560 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [1,1,0,0,0,0|1,0,1]=4 4561 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [1,1,0,0,0,0|0,0,2]=4 4562 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000232482_100000747473 [1,1,0,0,0,0|2,0,0]=4 4563 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011214924 [1,1,0,0,0,0|2,0,0]=4 4564 B14R0.391 CCCCCCCCCN(C)CC(=O)N 269982a_100000232482_100000187820 [1,1,0,0,0,0|2,0,0]=4 4565 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [1,1,0,0,0,0|1,0,0]=3 4566 B14R0.391 CCCCCCCCCN(C)CC(=O)[O-] 269982a_100000232482_100020667443 [1,1,0,0,0,0|1,0,1]=4 4567 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [1,1,0,0,0,0|1,0,0]=3 4568 B14R0.391 CCCCOCCNCC(O)CC(=O)O 269956a_100011218706_100000743108 [1,1,0,0,0,0|2,0,0]=4 4569 B14R0.391 CN(CCCCCCCCO)CC(=O)O 269956a_100000746989_100000033203 [1,1,0,0,0,0|2,0,0]=4 4570 B14R0.391 O=C(O)CC(O)CNCCCCCCF 269956a_100011218706_100015922095 [1,1,0,0,0,0|1,1,0]=4 4571 B14R0.391 O=C(O)CC(O)CNCCCCCCO 269956a_100011218706_100000766143 [1,1,0,0,0,0|2,0,0]=4 4572 B14R0.432 CCCC(C)CCCOCCCC(=O)C 34a_100011713154_100000685027 [1,1,0,0,0,0|2,0,0]=4 4573 B14R0.432 CCCC(C)CCCOCCCC(=O)C 7a_100011713154_100011215641 [1,1,0,0,0,0|2,0,0]=4 4574 B14R0.432 CCCC(C)CCCOCCCC(=O)N 34a_100011713154_100102525003 [1,1,0,0,0,0|2,0,0]=4 4575 B14R0.432 CCCC(C)CCCOCCCC(=O)N 7a_100011713154_100102525003 [1,1,0,0,0,0|2,0,0]=4 4576 B14R0.432 CCCC(C)CCOCCCCC(=O)C 34a_100011217855_100009817362 [1,1,0,0,0,0|2,0,0]=4 4577 B14R0.432 CCCC(C)CCOCCCCC(=O)C 7a_100011217855_100000735457 [1,1,0,0,0,0|2,0,0]=4 4578 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000123541_100011216630 [1,1,0,0,0,0|2,0,0]=4 4579 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000688023_100009817443 [1,1,0,0,0,0|2,0,0]=4 4580 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000123541_100011216630 [1,1,0,0,0,0|2,0,0]=4 4581 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000688023_100009817443 [1,1,0,0,0,0|2,0,0]=4 4582 B14R0.432 CCCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100011216630 [1,1,0,0,0,0|1,0,1]=4 4583 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100009817443_100011216630 [1,1,0,0,0,0|2,0,0]=4 4584 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100011216630_100009817443 [1,1,0,0,0,0|2,0,0]=4 4585 B14R0.432 CCC[C@H](N)CCOCCCCC(=O)C 34a_100015193777_100009817362 [1,1,0,0,0,0|2,0,0]=4 4586 B14R0.432 CCC[C@H](N)COCCCCCC(=O)N 34a_100000732646_100009817443 [1,1,0,0,0,0|2,0,0]=4 4587 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [1,1,0,0,0,0|1,0,1]=4 4588 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 34a_200011024964_100000187820 [1,1,0,0,0,0|2,0,0]=4 4589 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 7a_200011024964_100000187820 [1,1,0,0,0,0|2,0,0]=4 4590 B14R0.2224 CCCCCCC(C)CCOCC(=O)[O-] 34a_200011024964_100020667443 [1,1,0,0,0,0|1,0,1]=4 4591 B14R0.2224 CCCCCCC(C)NCCCC(=O)C 34a_100000210919_100000685027 [1,1,0,0,0,0|2,0,0]=4 4592 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000210919_100102525003 [1,1,0,0,0,0|2,0,0]=4 4593 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000739312_100011215978 [1,1,0,0,0,0|2,0,0]=4 4594 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000210265_100000685027 [1,1,0,0,0,0|2,0,0]=4 4595 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000759063_100011215978 [1,1,0,0,0,0|2,0,0]=4 4596 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000210265_100011215641 [1,1,0,0,0,0|2,0,0]=4 4597 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000759063_100011215978 [1,1,0,0,0,0|2,0,0]=4 4598 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 34a_100000210265_100102525003 [1,1,0,0,0,0|2,0,0]=4 4599 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 7a_100000210265_100102525003 [1,1,0,0,0,0|2,0,0]=4 4600 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215641_100011215978 [1,1,0,0,0,0|2,0,0]=4 4601 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215978_100011215641 [1,1,0,0,0,0|2,0,0]=4 4602 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100011215978_100102525003 [1,1,0,0,0,0|2,0,0]=4 4603 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100102525003_100011215978 [1,1,0,0,0,0|2,0,0]=4 4604 B14R0.2224 CCCCCCN(C)CCCCC(=O)C 269982a_106256046315_100000735457 [1,1,0,0,0,0|2,0,0]=4 4605 B14R0.145 CCCCCCC(C)NCCCCC=O 2230a_100000210919_100000139335 [1,1,0,0,0,0|2,0,0]=4 4606 B14R0.145 CCCCCCC(C)OCCCCC=O 7a_100000210265_100000139335 [1,1,0,0,0,0|2,0,0]=4 4607 B14R0.145 CCCCCCC(C)SCCCCC=O 62a_100000139335_100011215978 [1,1,0,0,0,0|2,0,0]=4 4608 B14R0.145 CCCCCCC(C)SCCCCC=O 62a_100011215978_100000139335 [1,1,0,0,0,0|2,0,0]=4 4609 B14R0.145 CCCCCCCC(C)OCCCC=O 7a_200011215852_200011292268 [1,1,0,0,0,0|2,0,0]=4 4610 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011218727_200011292268 [1,1,0,0,0,0|2,0,0]=4 4611 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011292268_200011218727 [1,1,0,0,0,0|2,0,0]=4 4612 B14R0.145 CCCCCCCN(C)CCCCC=O 2230a_100000228206_100000139335 [1,1,0,0,0,0|2,0,0]=4 4613 B14R0.145 CCCCCCCN(C)CCCCC=O 269982a_100000228206_100000139335 [1,1,0,0,0,0|2,0,0]=4 4614 B14R0.145 CCCCCCN(C)CCCCCC=O 2230a_106256046315_100000139337 [1,1,0,0,0,0|2,0,0]=4 4615 B14R0.145 CCCCCCN(C)CCCCCC=O 269982a_106256046315_100000139337 [1,1,0,0,0,0|2,0,0]=4 4616 B14R0.145 CN(CCCCCO)CCCCCC=O 2230a_100000722520_100000139337 [1,1,0,0,0,0|2,0,0]=4 4617 B14R0.145 CN(CCCCCO)CCCCCC=O 269982a_100000722520_100000139337 [1,1,0,0,0,0|2,0,0]=4 4618 B14R0.179 CCCCCC(C)NCCCCCC=O 2230a_100000211957_100000139337 [1,1,0,0,0,0|2,0,0]=4 4619 B14R0.179 CCCCCC(C)OCCCCCC=O 7a_100011215632_100000139337 [1,1,0,0,0,0|2,0,0]=4 4620 B14R0.179 CCCCCC(C)SCCCCCC=O 62a_100000139337_200011218191 [1,1,0,0,0,0|2,0,0]=4 4621 B14R0.179 CCCCCC(C)SCCCCCC=O 62a_200011218191_100000139337 [1,1,0,0,0,0|2,0,0]=4 4622 B14R0.179 CCCCCCCCC(C)COCC=O 34a_200012125181_200009817547 [1,1,0,0,0,0|2,0,0]=4 4623 B14R0.179 CCCCCCCCC(C)COCC=O 7a_200012125181_200015260668 [1,1,0,0,0,0|2,0,0]=4 4624 B14R0.179 CCCCCCCCN(C)CCCC=O 2230a_100000207567_200011292268 [1,1,0,0,0,0|2,0,0]=4 4625 B14R0.179 CCCCCCCCN(C)CCCC=O 269982a_100000207567_200011292268 [1,1,0,0,0,0|2,0,0]=4 4626 B14R0.392 C#CCCCCCCCCCOCC=O 34a_100000034437_200009817547 [1,1,0,0,0,0|1,0,1]=4 4627 B14R0.392 C#CCCCCCCCCCOCC=O 7a_100000034437_200015260668 [1,1,0,0,0,0|1,0,1]=4 4628 B14R0.392 C#CCCCCCCCOCCCC=O 7a_100000054614_200011292268 [1,1,0,0,0,0|1,0,1]=4 4629 B14R0.392 C#CCCCCCCCOCCCCBr 34a_100011216708_100153394163 [1,1,0,0,0,0|1,0,1]=4 4630 B14R0.392 C#CCCCCCCCSCCCC=O 62a_100153394163_200011292268 [1,1,0,0,0,0|1,0,1]=4 4631 B14R0.392 C#CCCCCCCCSCCCC=O 62a_200011292268_100153394163 [1,1,0,0,0,0|1,0,1]=4 4632 B14R0.392 C#CCCCCCCOCCCCC=O 7a_100011217361_100000139335 [1,1,0,0,0,0|1,0,1]=4 4633 B14R0.392 C#CCCCCCCOCCCCCBr 34a_100000746331_100012276617 [1,1,0,0,0,0|1,0,1]=4 4634 B14R0.392 C#CCCCCCCOCCCCCBr 7a_100000746331_100012276617 [1,1,0,0,0,0|1,0,1]=4 4635 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100000139335_100012276617 [1,1,0,0,0,0|1,0,1]=4 4636 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100012276617_100000139335 [1,1,0,0,0,0|1,0,1]=4 4637 B14R0.392 C#CCCCCCOCCCCCC=O 7a_100000766912_100000139337 [1,1,0,0,0,0|1,0,1]=4 4638 B14R0.392 C#CCCCCCOCCCCCCBr 34a_100011215345_100012094781 [1,1,0,0,0,0|1,0,1]=4 4639 B14R0.392 C#CCCCCCOCCCCCCBr 7a_100011215345_100012094781 [1,1,0,0,0,0|1,0,1]=4 4640 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100000139337_100012094781 [1,1,0,0,0,0|1,0,1]=4 4641 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100012094781_100000139337 [1,1,0,0,0,0|1,0,1]=4 4642 B14R0.392 C#CCCCCOCCCCCCCBr 34a_100000760002_100010269958 [1,1,0,0,0,0|1,0,1]=4 4643 B14R0.392 C#CCCCCOCCCCCCCBr 7a_100000760002_100010269958 [1,1,0,0,0,0|1,0,1]=4 4644 B14R0.392 C#CCCCOCCCCCCCCBr 34a_100009813846_100000695029 [1,1,0,0,0,0|1,0,1]=4 4645 B14R0.392 C#CCCCOCCCCCCCCBr 7a_100009813846_100011215417 [1,1,0,0,0,0|1,0,1]=4 4646 B14R0.392 C#CCCOCCCCCCCCCBr 34a_100009813782_100000688953 [1,1,0,0,0,0|1,0,1]=4 4647 B14R0.392 C#CCCOCCCCCCCCCBr 7a_100009813782_100000688953 [1,1,0,0,0,0|1,0,1]=4 4648 B14R0.392 C#CCOCCCCCCCCCCBr 34a_100009813290_100000184674 [1,1,0,0,0,0|1,0,1]=4 4649 B14R0.392 C#CCOCCCCCCCCCCBr 7a_100009813290_100000038162 [1,1,0,0,0,0|1,0,1]=4 4650 B14R0.392 C/C=C/COCCCCCCCCCBr 34a_100009813782_100102629194 [1,1,0,0,0,0|1,0,1]=4 4651 B14R0.392 C/C=C/COCCCCCCCCCBr 7a_100009813782_100102629194 [1,1,0,0,0,0|1,0,1]=4 4652 B14R0.392 C=CCCCCCCCCCCCNC 2230a_106832991635_102130925996 [1,1,0,0,0,0|2,0,0]=4 4653 B14R0.392 C=CCCCCCCCCCCCNC 34a_100102657272_102130925996 [1,1,0,0,0,0|2,0,0]=4 4654 B14R0.392 C=CCCCCCCCCCCCNC 7a_106832991635_102130925996 [1,1,0,0,0,0|2,0,0]=4 4655 B14R0.392 C=CCCCCCCCCCCCOC 34a_100138415774_102130925996 [1,1,0,0,0,0|2,0,0]=4 4656 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [1,1,0,0,0,0|2,0,0]=4 4657 B14R0.392 C=CCCCCCCCCCCOCC 34a_100121572206_100011093070 [1,1,0,0,0,0|2,0,0]=4 4658 B14R0.392 C=CCCCCCCCCCNCC=O 2230a_100000081888_200015260668 [1,1,0,0,0,0|1,0,1]=4 4659 B14R0.392 C=CCCCCCCCCCNCC=O 34a_100000081888_200009817547 [1,1,0,0,0,0|1,0,1]=4 4660 B14R0.392 C=CCCCCCCCCCNCCC 2230a_100000081888_100000210303 [1,1,0,0,0,0|2,0,0]=4 4661 B14R0.392 C=CCCCCCCCCCNCCC 34a_100000081888_100000210303 [1,1,0,0,0,0|2,0,0]=4 4662 B14R0.392 C=CCCCCCCCCCNCCF 2230a_100000081888_100011217306 [1,1,0,0,0,0|1,1,0]=4 4663 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000081888_100011217306 [1,1,0,0,0,0|1,1,0]=4 4664 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000724931_100009814027 [1,1,0,0,0,0|1,1,0]=4 4665 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100000081888_100000211926 [1,1,0,0,0,0|2,0,0]=4 4666 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100016997473_100009814027 [1,1,0,0,0,0|2,0,0]=4 4667 B14R0.392 C=CCCCCCCCCCNCCO 34a_100000081888_100000211926 [1,1,0,0,0,0|2,0,0]=4 4668 B14R0.392 C=CCCCCCCCCCNCCO 34a_100016990907_100009814027 [1,1,0,0,0,0|2,0,0]=4 4669 B14R0.392 C=CCCCCCCCCCOCC=O 34a_100000038209_200009817547 [1,1,0,0,0,0|1,0,1]=4 4670 B14R0.392 C=CCCCCCCCCCOCC=O 7a_100000038209_200015260668 [1,1,0,0,0,0|1,0,1]=4 4671 B14R0.392 C=CCCCCCCCCCOCCBr 34a_100000211926_100009814027 [1,1,0,0,0,0|1,0,0]=3 4672 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000038209_100000210303 [1,1,0,0,0,0|2,0,0]=4 4673 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000210258_100009814027 [1,1,0,0,0,0|2,0,0]=4 4674 B14R0.392 C=CCCCCCCCCCOCCC 7a_100000038209_100000210303 [1,1,0,0,0,0|2,0,0]=4 4675 B14R0.392 C=CCCCCCCCCCOCCF 34a_100000038209_100011217306 [1,1,0,0,0,0|1,1,0]=4 4676 B14R0.392 C=CCCCCCCCCCOCCF 7a_100000038209_100011217306 [1,1,0,0,0,0|1,1,0]=4 4677 B14R0.392 C=CCCCCCCCCCOCCN 34a_100000210304_100009814027 [1,1,0,0,0,0|2,0,0]=4 4678 B14R0.392 C=CCCCCCCCCCOCCO 34a_100000038209_100000211926 [1,1,0,0,0,0|2,0,0]=4 4679 B14R0.392 C=CCCCCCCCCCOCCO 7a_100000038209_100000211926 [1,1,0,0,0,0|2,0,0]=4 4680 B14R0.392 C=CCCCCCCCCCSCC=O 62a_100009814027_200015260668 [1,1,0,0,0,0|1,0,1]=4 4681 B14R0.392 C=CCCCCCCCCCSCC=O 62a_200015260668_100009814027 [1,1,0,0,0,0|1,0,1]=4 4682 B14R0.392 C=CCCCCCCCCCSCCO 62a_100000211926_100009814027 [1,1,0,0,0,0|2,0,0]=4 4683 B14R0.392 C=CCCCCCCCCCSCCO 62a_100009814027_100000211926 [1,1,0,0,0,0|2,0,0]=4 4684 B14R0.392 C=CCCCCCCCCNCCCC 2230a_100000102301_100011933949 [1,1,0,0,0,0|2,0,0]=4 4685 B14R0.392 C=CCCCCCCCCNCCCC 7a_106832991798_100011933949 [1,1,0,0,0,0|2,0,0]=4 4686 B14R0.392 C=CCCCCCCCCNCCCF 2230a_100015189416_100011933949 [1,1,0,0,0,0|1,1,0]=4 4687 B14R0.392 C=CCCCCCCCCNCCCF 34a_100015189416_100011933949 [1,1,0,0,0,0|1,1,0]=4 4688 B14R0.392 C=CCCCCCCCCOCCCBr 34a_100011217188_100011933949 [1,1,0,0,0,0|1,0,0]=3 4689 B14R0.392 C=CCCCCCCCCOCCCC 34a_100000210227_100011933949 [1,1,0,0,0,0|2,0,0]=4 4690 B14R0.392 C=CCCCCCCCCOCCCC 34a_100011215194_100000210210 [1,1,0,0,0,0|2,0,0]=4 4691 B14R0.392 C=CCCCCCCCCOCCCC 7a_100000210227_100011933949 [1,1,0,0,0,0|2,0,0]=4 4692 B14R0.392 C=CCCCCCCCCOCCCC 7a_100011215194_100000210211 [1,1,0,0,0,0|2,0,0]=4 4693 B14R0.392 C=CCCCCCCCCOCCCCl 34a_100000230001_100011933949 [1,1,0,0,0,0|1,1,0]=4 4694 B14R0.392 C=CCCCCCCCCOCCCF 34a_100000759539_100011933949 [1,1,0,0,0,0|1,1,0]=4 4695 B14R0.392 C=CCCCCCCCCOCCCF 34a_100011215194_100011934791 [1,1,0,0,0,0|1,1,0]=4 4696 B14R0.392 C=CCCCCCCCCOCCCF 7a_100011215194_100011934791 [1,1,0,0,0,0|1,1,0]=4 4697 B14R0.392 C=CCCCCCCCCOCCCN 34a_100000182051_100011933949 [1,1,0,0,0,0|2,0,0]=4 4698 B14R0.392 C=CCCCCCCCCOCCCO 34a_100011215194_100000230001 [1,1,0,0,0,0|2,0,0]=4 4699 B14R0.392 C=CCCCCCCCCOCCCO 7a_100011215194_100011215043 [1,1,0,0,0,0|2,0,0]=4 4700 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011215043_100011933949 [1,1,0,0,0,0|2,0,0]=4 4701 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011933949_100011215043 [1,1,0,0,0,0|2,0,0]=4 4702 B14R0.392 C=CCCCCCCCNCCCCC 2230a_100000209983_100012355270 [1,1,0,0,0,0|2,0,0]=4 4703 B14R0.392 C=CCCCCCCCNCCCCO 2230a_100000750430_100012355270 [1,1,0,0,0,0|2,0,0]=4 4704 B14R0.392 C=CCCCCCCCNCCCCO 34a_100000750430_100012355270 [1,1,0,0,0,0|2,0,0]=4 4705 B14R0.392 C=CCCCCCCCOCCCC=O 7a_100000730831_200011292268 [1,1,0,0,0,0|1,0,1]=4 4706 B14R0.392 C=CCCCCCCCOCCCCBr 34a_100011216708_100012355270 [1,1,0,0,0,0|1,0,0]=3 4707 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000210253_100012355270 [1,1,0,0,0,0|2,0,0]=4 4708 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000730831_100000718602 [1,1,0,0,0,0|2,0,0]=4 4709 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000210253_100012355270 [1,1,0,0,0,0|2,0,0]=4 4710 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000730831_100000210326 [1,1,0,0,0,0|2,0,0]=4 4711 B14R0.392 C=CCCCCCCCOCCCCCl 34a_100000210776_100012355270 [1,1,0,0,0,0|1,1,0]=4 4712 B14R0.392 C=CCCCCCCCOCCCCCl 7a_100000210776_100012355270 [1,1,0,0,0,0|1,1,0]=4 4713 B14R0.392 C=CCCCCCCCOCCCCF 34a_100000730831_100000729493 [1,1,0,0,0,0|1,1,0]=4 4714 B14R0.392 C=CCCCCCCCOCCCCF 34a_100011995726_100012355270 [1,1,0,0,0,0|1,1,0]=4 4715 B14R0.392 C=CCCCCCCCOCCCCF 7a_100000730831_100000729493 [1,1,0,0,0,0|1,1,0]=4 4716 B14R0.392 C=CCCCCCCCOCCCCF 7a_100011995726_100012355270 [1,1,0,0,0,0|1,1,0]=4 4717 B14R0.392 C=CCCCCCCCOCCCCI 34a_200012148704_100012355270 [1,1,0,0,0,0|1,1,0]=4 4718 B14R0.392 C=CCCCCCCCOCCCCN 34a_100000750430_100012355270 [1,1,0,0,0,0|2,0,0]=4 4719 B14R0.392 C=CCCCCCCCOCCCCO 34a_100000730831_100011216708 [1,1,0,0,0,0|2,0,0]=4 4720 B14R0.392 C=CCCCCCCCOCCCCO 7a_100000730831_100000210776 [1,1,0,0,0,0|2,0,0]=4 4721 B14R0.392 C=CCCCCCCCSCCCC=O 62a_100012355270_200011292268 [1,1,0,0,0,0|1,0,1]=4 4722 B14R0.392 C=CCCCCCCCSCCCC=O 62a_200011292268_100012355270 [1,1,0,0,0,0|1,0,1]=4 4723 B14R0.392 C=CCCCCCCCSCCCCO 62a_100000210776_100012355270 [1,1,0,0,0,0|2,0,0]=4 4724 B14R0.392 C=CCCCCCCCSCCCCO 62a_100012355270_100000210776 [1,1,0,0,0,0|2,0,0]=4 4725 B14R0.392 C=CCCCCCCNCCCCCC 2230a_100000210581_100011215473 [1,1,0,0,0,0|2,0,0]=4 4726 B14R0.392 C=CCCCCCCNCCCCCO 2230a_100000762737_100011215473 [1,1,0,0,0,0|2,0,0]=4 4727 B14R0.392 C=CCCCCCCNCCCCCO 34a_100000762737_100011215473 [1,1,0,0,0,0|2,0,0]=4 4728 B14R0.392 C=CCCCCCCOCCCCC=O 7a_200011216477_100000139335 [1,1,0,0,0,0|1,0,1]=4 4729 B14R0.392 C=CCCCCCCOCCCCCBr 34a_100000746331_100011215473 [1,1,0,0,0,0|1,0,0]=3 4730 B14R0.392 C=CCCCCCCOCCCCCBr 7a_100000746331_100011215473 [1,1,0,0,0,0|1,0,0]=3 4731 B14R0.392 C=CCCCCCCOCCCCCC 34a_100000210259_100011215473 [1,1,0,0,0,0|2,0,0]=4 4732 B14R0.392 C=CCCCCCCOCCCCCC 34a_200011216477_100000210314 [1,1,0,0,0,0|2,0,0]=4 4733 B14R0.392 C=CCCCCCCOCCCCCC 7a_100000210259_100011215473 [1,1,0,0,0,0|2,0,0]=4 4734 B14R0.392 C=CCCCCCCOCCCCCC 7a_200011216477_100000210314 [1,1,0,0,0,0|2,0,0]=4 4735 B14R0.392 C=CCCCCCCOCCCCCCl 34a_100000746330_100011215473 [1,1,0,0,0,0|1,1,0]=4 4736 B14R0.392 C=CCCCCCCOCCCCCCl 7a_100000746330_100011215473 [1,1,0,0,0,0|1,1,0]=4 4737 B14R0.392 C=CCCCCCCOCCCCCF 34a_200011216477_100000729378 [1,1,0,0,0,0|1,1,0]=4 4738 B14R0.392 C=CCCCCCCOCCCCCF 7a_200011216477_100000729378 [1,1,0,0,0,0|1,1,0]=4 4739 B14R0.392 C=CCCCCCCOCCCCCI 34a_200012148887_100011215473 [1,1,0,0,0,0|1,1,0]=4 4740 B14R0.392 C=CCCCCCCOCCCCCI 7a_200012148887_100011215473 [1,1,0,0,0,0|1,1,0]=4 4741 B14R0.392 C=CCCCCCCOCCCCCN 34a_100000762737_100011215473 [1,1,0,0,0,0|2,0,0]=4 4742 B14R0.392 C=CCCCCCCOCCCCCO 34a_200011216477_100000746330 [1,1,0,0,0,0|2,0,0]=4 4743 B14R0.392 C=CCCCCCCOCCCCCO 7a_200011216477_100000746330 [1,1,0,0,0,0|2,0,0]=4 4744 B14R0.392 C=CCCCCCCOCCOCCBr 34a_100000692535_100011215473 [1,1,0,0,0,0|2,0,0]=4 4745 B14R0.392 C=CCCCCCCOCCOCCBr 7a_100000692535_100011215473 [1,1,0,0,0,0|2,0,0]=4 4746 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100000139335_100011215473 [1,1,0,0,0,0|1,0,1]=4 4747 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100011215473_100000139335 [1,1,0,0,0,0|1,0,1]=4 4748 B14R0.392 C=CCCCCCCSCCCCCO 62a_100000746330_100011215473 [1,1,0,0,0,0|2,0,0]=4 4749 B14R0.392 C=CCCCCCCSCCCCCO 62a_100011215473_100000746330 [1,1,0,0,0,0|2,0,0]=4 4750 B14R0.392 C=CCCCCCNCCCCCCC 2230a_100000229938_100000700193 [1,1,0,0,0,0|2,0,0]=4 4751 B14R0.392 C=CCCCCCNCCCCCCO 2230a_100000686447_100000700193 [1,1,0,0,0,0|2,0,0]=4 4752 B14R0.392 C=CCCCCCNCCCCCCO 34a_100000686447_100000700193 [1,1,0,0,0,0|2,0,0]=4 4753 B14R0.392 C=CCCCCCOCCCCCC=O 7a_100011216702_100000139337 [1,1,0,0,0,0|1,0,1]=4 4754 B14R0.392 C=CCCCCCOCCCCCCBr 34a_100011215345_100000700193 [1,1,0,0,0,0|1,0,0]=3 4755 B14R0.392 C=CCCCCCOCCCCCCBr 7a_100011215345_100000700193 [1,1,0,0,0,0|1,0,0]=3 4756 B14R0.392 C=CCCCCCOCCCCCCC 34a_100000210272_100000700193 [1,1,0,0,0,0|2,0,0]=4 4757 B14R0.392 C=CCCCCCOCCCCCCC 34a_100011216702_100000210614 [1,1,0,0,0,0|2,0,0]=4 4758 B14R0.392 C=CCCCCCOCCCCCCC 7a_100000210272_100000700193 [1,1,0,0,0,0|2,0,0]=4 4759 B14R0.392 C=CCCCCCOCCCCCCC 7a_100011216702_100000210614 [1,1,0,0,0,0|2,0,0]=4 4760 B14R0.392 C=CCCCCCOCCCCCCCl 34a_100000766143_100000700193 [1,1,0,0,0,0|1,1,0]=4 4761 B14R0.392 C=CCCCCCOCCCCCCCl 7a_100000766143_100000700193 [1,1,0,0,0,0|1,1,0]=4 4762 B14R0.392 C=CCCCCCOCCCCCCF 34a_100000732779_100000700193 [1,1,0,0,0,0|1,1,0]=4 4763 B14R0.392 C=CCCCCCOCCCCCCF 34a_100011216702_100015922095 [1,1,0,0,0,0|1,1,0]=4 4764 B14R0.392 C=CCCCCCOCCCCCCF 7a_100000732779_100000700193 [1,1,0,0,0,0|1,1,0]=4 4765 B14R0.392 C=CCCCCCOCCCCCCF 7a_100011216702_100015922095 [1,1,0,0,0,0|1,1,0]=4 4766 B14R0.392 C=CCCCCCOCCCCCCN 34a_100000686447_100000700193 [1,1,0,0,0,0|2,0,0]=4 4767 B14R0.392 C=CCCCCCOCCCCCCO 34a_100011216702_100000766143 [1,1,0,0,0,0|2,0,0]=4 4768 B14R0.392 C=CCCCCCOCCCCCCO 7a_100011216702_100000766143 [1,1,0,0,0,0|2,0,0]=4 4769 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000139337_100000700193 [1,1,0,0,0,0|1,0,1]=4 4770 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000700193_100000139337 [1,1,0,0,0,0|1,0,1]=4 4771 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000700193_100000766143 [1,1,0,0,0,0|2,0,0]=4 4772 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000766143_100000700193 [1,1,0,0,0,0|2,0,0]=4 4773 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [1,1,0,0,0,0|2,0,0]=4 4774 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [1,1,0,0,0,0|2,0,0]=4 4775 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [1,1,0,0,0,0|2,0,0]=4 4776 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [1,1,0,0,0,0|2,0,0]=4 4777 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100000703577_100000760002 [1,1,0,0,0,0|2,0,0]=4 4778 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100011996573_100011215482 [1,1,0,0,0,0|2,0,0]=4 4779 B14R0.392 C=CCCCCNCCCCCCCO 34a_100000703577_100000760002 [1,1,0,0,0,0|2,0,0]=4 4780 B14R0.392 C=CCCCCNCCCCCCCO 34a_100011996573_100011215482 [1,1,0,0,0,0|2,0,0]=4 4781 B14R0.392 C=CCCCCOCCCCCCCBr 34a_100000760002_100011215482 [1,1,0,0,0,0|1,0,0]=3 4782 B14R0.392 C=CCCCCOCCCCCCCBr 7a_100000760002_100011215482 [1,1,0,0,0,0|1,0,0]=3 4783 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [1,1,0,0,0,0|2,0,0]=4 4784 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [1,1,0,0,0,0|2,0,0]=4 4785 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [1,1,0,0,0,0|2,0,0]=4 4786 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [1,1,0,0,0,0|2,0,0]=4 4787 B14R0.392 C=CCCCCOCCCCCCCN 34a_100011996573_100011215482 [1,1,0,0,0,0|2,0,0]=4 4788 B14R0.392 C=CCCCCOCCCCCCCO 34a_100000766645_100000760002 [1,1,0,0,0,0|2,0,0]=4 4789 B14R0.392 C=CCCCCOCCCCCCCO 7a_100000766645_100000760002 [1,1,0,0,0,0|2,0,0]=4 4790 B14R0.392 C=CCCCCSCCCCCCCO 62a_100000760002_100011215482 [1,1,0,0,0,0|2,0,0]=4 4791 B14R0.392 C=CCCCCSCCCCCCCO 62a_100011215482_100000760002 [1,1,0,0,0,0|2,0,0]=4 4792 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [1,1,0,0,0,0|2,0,0]=4 4793 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [1,1,0,0,0,0|2,0,0]=4 4794 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [1,1,0,0,0,0|2,0,0]=4 4795 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [1,1,0,0,0,0|2,0,0]=4 4796 B14R0.392 C=CCCCNCCCCCCCCO 2230a_100000700776_100000033203 [1,1,0,0,0,0|2,0,0]=4 4797 B14R0.392 C=CCCCNCCCCCCCCO 2230a_102515433106_100011713584 [1,1,0,0,0,0|2,0,0]=4 4798 B14R0.392 C=CCCCNCCCCCCCCO 34a_100000700776_100000033203 [1,1,0,0,0,0|2,0,0]=4 4799 B14R0.392 C=CCCCNCCCCCCCCO 34a_102515433106_100000757094 [1,1,0,0,0,0|2,0,0]=4 4800 B14R0.392 C=CCCCOCCCCCCCCBr 34a_100009813846_100000757094 [1,1,0,0,0,0|1,0,0]=3 4801 B14R0.392 C=CCCCOCCCCCCCCBr 7a_100009813846_100000757094 [1,1,0,0,0,0|1,0,0]=3 4802 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [1,1,0,0,0,0|2,0,0]=4 4803 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [1,1,0,0,0,0|2,0,0]=4 4804 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [1,1,0,0,0,0|2,0,0]=4 4805 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [1,1,0,0,0,0|2,0,0]=4 4806 B14R0.392 C=CCCCOCCCCCCCCCl 34a_100000033203_100000757094 [1,1,0,0,0,0|1,1,0]=4 4807 B14R0.392 C=CCCCOCCCCCCCCCl 7a_100000033203_100000757094 [1,1,0,0,0,0|1,1,0]=4 4808 B14R0.392 C=CCCCOCCCCCCCCN 34a_102515433106_100000757094 [1,1,0,0,0,0|2,0,0]=4 4809 B14R0.392 C=CCCCOCCCCCCCCO 34a_100000758997_100000033203 [1,1,0,0,0,0|2,0,0]=4 4810 B14R0.392 C=CCCCOCCCCCCCCO 7a_100000758997_100000033203 [1,1,0,0,0,0|2,0,0]=4 4811 B14R0.392 C=CCCCSCCCCCCCCO 62a_100000033203_100000757094 [1,1,0,0,0,0|2,0,0]=4 4812 B14R0.392 C=CCCCSCCCCCCCCO 62a_100011713584_100000033203 [1,1,0,0,0,0|2,0,0]=4 4813 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [1,1,0,0,0,0|2,0,0]=4 4814 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [1,1,0,0,0,0|2,0,0]=4 4815 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [1,1,0,0,0,0|2,0,0]=4 4816 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100000078944_100000754431 [1,1,0,0,0,0|2,0,0]=4 4817 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100015191253_100009813782 [1,1,0,0,0,0|2,0,0]=4 4818 B14R0.392 C=CCCNCCCCCCCCCO 34a_100000078944_100000754431 [1,1,0,0,0,0|2,0,0]=4 4819 B14R0.392 C=CCCOCCCCCCCCCBr 34a_100009813782_100000754431 [1,1,0,0,0,0|1,0,0]=3 4820 B14R0.392 C=CCCOCCCCCCCCCBr 7a_100009813782_100000754431 [1,1,0,0,0,0|1,0,0]=3 4821 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [1,1,0,0,0,0|2,0,0]=4 4822 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [1,1,0,0,0,0|2,0,0]=4 4823 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [1,1,0,0,0,0|2,0,0]=4 4824 B14R0.392 C=CCCOCCCCCCCCCCl 34a_100009868337_100000754431 [1,1,0,0,0,0|1,1,0]=4 4825 B14R0.392 C=CCCOCCCCCCCCCCl 7a_100009868337_100000754431 [1,1,0,0,0,0|1,1,0]=4 4826 B14R0.392 C=CCCOCCCCCCCCCN 34a_100000078944_100000754431 [1,1,0,0,0,0|2,0,0]=4 4827 B14R0.392 C=CCCOCCCCCCCCCO 34a_100011205117_100009813782 [1,1,0,0,0,0|2,0,0]=4 4828 B14R0.392 C=CCCSCCCCCCCCCO 62a_100000754431_100009813782 [1,1,0,0,0,0|2,0,0]=4 4829 B14R0.392 C=CCCSCCCCCCCCCO 62a_100009813782_100000754431 [1,1,0,0,0,0|2,0,0]=4 4830 B14R0.392 C=CCNCCCCCCCCCCC 2230a_100020586998_100011215454 [1,1,0,0,0,0|2,0,0]=4 4831 B14R0.392 C=CCNCCCCCCCCCCC 2230a_200011215754_100000210623 [1,1,0,0,0,0|2,0,0]=4 4832 B14R0.392 C=CCNCCCCCCCCCCC 34a_200011215754_100015514636 [1,1,0,0,0,0|2,0,0]=4 4833 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100000066964_100000210623 [1,1,0,0,0,0|2,0,0]=4 4834 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100020586998_100009813290 [1,1,0,0,0,0|2,0,0]=4 4835 B14R0.392 C=CCNCCCCCCCCCCO 34a_100000066964_100015514636 [1,1,0,0,0,0|2,0,0]=4 4836 B14R0.392 C=CCOCCCCCCCCCCBr 34a_100009813290_100015514636 [1,1,0,0,0,0|1,0,0]=3 4837 B14R0.392 C=CCOCCCCCCCCCCBr 7a_100009813290_100015514636 [1,1,0,0,0,0|1,0,0]=3 4838 B14R0.392 C=CCOCCCCCCCCCCC 34a_100000210809_100015514636 [1,1,0,0,0,0|2,0,0]=4 4839 B14R0.392 C=CCOCCCCCCCCCCC 34a_200000210373_100011215454 [1,1,0,0,0,0|2,0,0]=4 4840 B14R0.392 C=CCOCCCCCCCCCCC 7a_100000210809_100015514636 [1,1,0,0,0,0|2,0,0]=4 4841 B14R0.392 C=CCOCCCCCCCCCCCl 34a_200000033068_100015514636 [1,1,0,0,0,0|1,1,0]=4 4842 B14R0.392 C=CCOCCCCCCCCCCCl 7a_200000033068_100015514636 [1,1,0,0,0,0|1,1,0]=4 4843 B14R0.392 C=CCOCCCCCCCCCCN 34a_100000066964_100015514636 [1,1,0,0,0,0|2,0,0]=4 4844 B14R0.392 C=CCOCCCCCCCCCCO 34a_200000210373_100009813290 [1,1,0,0,0,0|2,0,0]=4 4845 B14R0.392 C=CCSCCCCCCCCCCO 62a_100000210623_200000033068 [1,1,0,0,0,0|2,0,0]=4 4846 B14R0.392 C=CCSCCCCCCCCCCO 62a_100009813290_100000210623 [1,1,0,0,0,0|2,0,0]=4 4847 B14R0.392 C=COCCOCCCCCCCCBr 34a_100009813846_100000039644 [1,1,0,0,0,0|2,0,0]=4 4848 B14R0.392 C=COCCOCCCCCCCCBr 7a_100009813846_100000039644 [1,1,0,0,0,0|2,0,0]=4 4849 B14R0.392 CC=CCOCCCCCCCCCBr 34a_100009813782_100000070051 [1,1,0,0,0,0|1,0,1]=4 4850 B14R0.392 CC=CCOCCCCCCCCCBr 7a_100009813782_100000070051 [1,1,0,0,0,0|1,0,1]=4 4851 B14R0.392 CCCCCCCCCCCCCOC 34a_100000185773_200000210301 [1,1,0,0,0,0|1,0,1]=4 4852 B14R0.392 CCCCCCCCCCCCCOC 34a_100138415774_100000210684 [1,1,0,0,0,0|1,0,1]=4 4853 B14R0.392 CCCCCCCCCCCCCOC 7a_100000185773_200000210301 [1,1,0,0,0,0|1,0,1]=4 4854 B14R0.392 CCCCCCCCCCCCCO[13CH3] 34a_100000185773_200025704644 [1,1,0,0,0,0|1,0,1]=4 4855 B14R0.392 CCCCCCCCCCCCCO[13CH3] 7a_100000185773_200025704644 [1,1,0,0,0,0|1,0,1]=4 4856 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [1,1,0,0,0,0|1,0,0]=3 4857 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [1,1,0,0,0,0|1,0,0]=3 4858 B14R0.392 CCCCCCCCCCCNCCO 2230a_100016997473_100011215454 [1,1,0,0,0,0|1,0,1]=4 4859 B14R0.392 CCCCCCCCCCCNCCO 2230a_200011215754_100000211926 [1,1,0,0,0,0|1,0,1]=4 4860 B14R0.392 CCCCCCCCCCCNCCO 34a_100016990907_100011215454 [1,1,0,0,0,0|1,0,1]=4 4861 B14R0.392 CCCCCCCCCCCNCCO 34a_200011215754_100000211926 [1,1,0,0,0,0|1,0,1]=4 4862 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [1,1,0,0,0,0|1,0,0]=3 4863 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [1,1,0,0,0,0|1,0,0]=3 4864 B14R0.392 CCCCCCCCCCCOCCBr 34a_100000211926_100011215454 [1,1,0,0,0,0|1,0,1]=4 4865 B14R0.392 CCCCCCCCCCCOCCO 34a_100000210809_100000211926 [1,1,0,0,0,0|1,0,1]=4 4866 B14R0.392 CCCCCCCCCCCOCCO 7a_100000210809_100000211926 [1,1,0,0,0,0|1,0,1]=4 4867 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [1,1,0,0,0,0|1,0,0]=3 4868 B14R0.392 CCCCCCCCCCCSCCO 62a_100000211926_100011215454 [1,1,0,0,0,0|1,0,1]=4 4869 B14R0.392 CCCCCCCCCCNCCCO 2230a_100000684558_100000230001 [1,1,0,0,0,0|1,0,1]=4 4870 B14R0.392 CCCCCCCCCCNCCCO 34a_100000684558_100000230001 [1,1,0,0,0,0|1,0,1]=4 4871 B14R0.392 CCCCCCCCCCOCCCBr 34a_100011217188_100000210320 [1,1,0,0,0,0|1,0,1]=4 4872 B14R0.392 CCCCCCCCCCOCCCO 34a_100000210711_100000230001 [1,1,0,0,0,0|1,0,1]=4 4873 B14R0.392 CCCCCCCCCCOCCCO 7a_100000210711_100011215043 [1,1,0,0,0,0|1,0,1]=4 4874 B14R0.392 CCCCCCCCCCSCCCO 62a_100011215043_100000210320 [1,1,0,0,0,0|1,0,1]=4 4875 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [1,1,0,0,0,0|1,0,0]=3 4876 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000212291_100000210776 [1,1,0,0,0,0|1,0,1]=4 4877 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000750430_100011214924 [1,1,0,0,0,0|1,0,1]=4 4878 B14R0.392 CCCCCCCCCNCCCCO 34a_100000212291_100011216708 [1,1,0,0,0,0|1,0,1]=4 4879 B14R0.392 CCCCCCCCCNCCCCO 34a_100000750430_100011214924 [1,1,0,0,0,0|1,0,1]=4 4880 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [1,1,0,0,0,0|1,0,0]=3 4881 B14R0.392 CCCCCCCCCOCCCCBr 34a_100011216708_100011214924 [1,1,0,0,0,0|1,0,1]=4 4882 B14R0.392 CCCCCCCCCOCCCCO 34a_100000210712_100011216708 [1,1,0,0,0,0|1,0,1]=4 4883 B14R0.392 CCCCCCCCCOCCCCO 7a_100000210712_100000210776 [1,1,0,0,0,0|1,0,1]=4 4884 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [1,1,0,0,0,0|1,0,0]=3 4885 B14R0.392 CCCCCCCCCSCCCCO 62a_100000210776_100000210670 [1,1,0,0,0,0|1,0,1]=4 4886 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [1,1,0,0,0,0|1,0,0]=3 4887 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000229939_100000746330 [1,1,0,0,0,0|1,0,1]=4 4888 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000762737_100000210759 [1,1,0,0,0,0|1,0,1]=4 4889 B14R0.392 CCCCCCCCNCCCCCO 34a_100000229939_100000746330 [1,1,0,0,0,0|1,0,1]=4 4890 B14R0.392 CCCCCCCCNCCCCCO 34a_100000762737_100000210759 [1,1,0,0,0,0|1,0,1]=4 4891 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [1,1,0,0,0,0|1,0,0]=3 4892 B14R0.392 CCCCCCCCOCCCCCBr 34a_100000746331_100000210759 [1,1,0,0,0,0|1,0,1]=4 4893 B14R0.392 CCCCCCCCOCCCCCBr 7a_100000746331_100000210759 [1,1,0,0,0,0|1,0,1]=4 4894 B14R0.392 CCCCCCCCOCCCCCO 34a_100000210232_100000746330 [1,1,0,0,0,0|1,0,1]=4 4895 B14R0.392 CCCCCCCCOCCCCCO 7a_100000210232_100000746330 [1,1,0,0,0,0|1,0,1]=4 4896 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [1,1,0,0,0,0|1,0,0]=3 4897 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [1,1,0,0,0,0|1,0,0]=3 4898 B14R0.392 CCCCCCCCSCCCCCO 62a_100000210759_100000746330 [1,1,0,0,0,0|1,0,1]=4 4899 B14R0.392 CCCCCCCCSCCCCCO 62a_100000746330_100000210317 [1,1,0,0,0,0|1,0,1]=4 4900 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [1,1,0,0,0,0|1,0,0]=3 4901 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000229938_100000766143 [1,1,0,0,0,0|1,0,1]=4 4902 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000686447_100000210681 [1,1,0,0,0,0|1,0,1]=4 4903 B14R0.392 CCCCCCCNCCCCCCO 34a_100000686447_100000210614 [1,1,0,0,0,0|1,0,1]=4 4904 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [1,1,0,0,0,0|1,0,0]=3 4905 B14R0.392 CCCCCCCOCCCCCCBr 34a_100011215345_100000210614 [1,1,0,0,0,0|1,0,1]=4 4906 B14R0.392 CCCCCCCOCCCCCCBr 7a_100011215345_100000210614 [1,1,0,0,0,0|1,0,1]=4 4907 B14R0.392 CCCCCCCOCCCCCCO 34a_100000210272_100000766143 [1,1,0,0,0,0|1,0,1]=4 4908 B14R0.392 CCCCCCCOCCCCCCO 7a_100000210272_100000766143 [1,1,0,0,0,0|1,0,1]=4 4909 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [1,1,0,0,0,0|1,0,0]=3 4910 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [1,1,0,0,0,0|1,0,0]=3 4911 B14R0.392 CCCCCCCSCCCCCCO 62a_100000210614_100000766143 [1,1,0,0,0,0|1,0,1]=4 4912 B14R0.392 CCCCCCCSCCCCCCO 62a_100000766143_100000210316 [1,1,0,0,0,0|1,0,1]=4 4913 B14R0.392 CCCCCCNCCCCCCCO 2230a_100000210581_100000760002 [1,1,0,0,0,0|1,0,1]=4 4914 B14R0.392 CCCCCCNCCCCCCCO 2230a_100011996573_100000210314 [1,1,0,0,0,0|1,0,1]=4 4915 B14R0.392 CCCCCCNCCCCCCCO 34a_100011996573_100000210314 [1,1,0,0,0,0|1,0,1]=4 4916 B14R0.392 CCCCCCOCCCCCCCBr 34a_100000760002_100000210314 [1,1,0,0,0,0|1,0,1]=4 4917 B14R0.392 CCCCCCOCCCCCCCBr 7a_100000760002_100000210314 [1,1,0,0,0,0|1,0,1]=4 4918 B14R0.392 CCCCCCOCCCCCCCO 34a_100000210259_100000760002 [1,1,0,0,0,0|1,0,1]=4 4919 B14R0.392 CCCCCCOCCCCCCCO 7a_100000210259_100000760002 [1,1,0,0,0,0|1,0,1]=4 4920 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [1,1,0,0,0,0|2,0,0]=4 4921 B14R0.392 CCCCCCSCCCCCCCO 62a_100000210314_100000760002 [1,1,0,0,0,0|1,0,1]=4 4922 B14R0.392 CCCCCCSCCCCCCCO 62a_100000760002_100000210757 [1,1,0,0,0,0|1,0,1]=4 4923 B14R0.392 CCCCCNCCCCCCCCO 2230a_100000209983_100000033203 [1,1,0,0,0,0|1,0,1]=4 4924 B14R0.392 CCCCCNCCCCCCCCO 2230a_102515433106_100000210326 [1,1,0,0,0,0|1,0,1]=4 4925 B14R0.392 CCCCCNCCCCCCCCO 34a_102515433106_100000718602 [1,1,0,0,0,0|1,0,1]=4 4926 B14R0.392 CCCCCOCCCCCCCCBr 34a_100009813846_100000718602 [1,1,0,0,0,0|1,0,1]=4 4927 B14R0.392 CCCCCOCCCCCCCCBr 7a_100009813846_100000210326 [1,1,0,0,0,0|1,0,1]=4 4928 B14R0.392 CCCCCOCCCCCCCCO 34a_100000210253_100000033203 [1,1,0,0,0,0|1,0,1]=4 4929 B14R0.392 CCCCCOCCCCCCCCO 7a_100000210253_100000033203 [1,1,0,0,0,0|1,0,1]=4 4930 B14R0.392 CCCCCOCCOCCCCC=O 7a_100011215259_100000139335 [1,1,0,0,0,0|2,0,0]=4 4931 B14R0.392 CCCCCSCCCCCCCCO 62a_100000033203_100000210326 [1,1,0,0,0,0|1,0,1]=4 4932 B14R0.392 CCCCCSCCCCCCCCO 62a_100000210326_100000033203 [1,1,0,0,0,0|1,0,1]=4 4933 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000078944_100000210211 [1,1,0,0,0,0|1,0,1]=4 4934 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000102301_100009813782 [1,1,0,0,0,0|1,0,1]=4 4935 B14R0.392 CCCCNCCCCCCCCCO 34a_100000078944_100000210210 [1,1,0,0,0,0|1,0,1]=4 4936 B14R0.392 CCCCNCCCCCCCCCO 7a_106832991798_100009813782 [1,1,0,0,0,0|1,0,1]=4 4937 B14R0.392 CCCCOCCCCCCCCCBr 34a_100009813782_100000210210 [1,1,0,0,0,0|1,0,1]=4 4938 B14R0.392 CCCCOCCCCCCCCCBr 7a_100009813782_100000210211 [1,1,0,0,0,0|1,0,1]=4 4939 B14R0.392 CCCCOCCCCCCCCCO 34a_100000210227_100009813782 [1,1,0,0,0,0|1,0,1]=4 4940 B14R0.392 CCCCOCCCCCCCCCO 7a_100000210227_100009813782 [1,1,0,0,0,0|1,0,1]=4 4941 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [1,1,0,0,0,0|2,0,0]=4 4942 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [1,1,0,0,0,0|2,0,0]=4 4943 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [1,1,0,0,0,0|2,0,0]=4 4944 B14R0.392 CCCCOCCOCCCCCC=O 7a_100000210238_100000139337 [1,1,0,0,0,0|2,0,0]=4 4945 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000139337_100000743108 [1,1,0,0,0,0|2,0,0]=4 4946 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000743108_100000139337 [1,1,0,0,0,0|2,0,0]=4 4947 B14R0.392 CCCCSCCCCCCCCCO 62a_100000210211_100009813782 [1,1,0,0,0,0|1,0,1]=4 4948 B14R0.392 CCCCSCCCCCCCCCO 62a_100009813782_100000210210 [1,1,0,0,0,0|1,0,1]=4 4949 B14R0.392 CCCCSCCNCCCCCC=O 2230a_100025743550_100000139337 [1,1,0,0,0,0|2,0,0]=4 4950 B14R0.392 CCCCSCCOCCCCCC=O 7a_200000230436_100000139337 [1,1,0,0,0,0|2,0,0]=4 4951 B14R0.392 CCCNCCCCCCCCCCO 2230a_100000066964_100000210303 [1,1,0,0,0,0|1,0,1]=4 4952 B14R0.392 CCCNCCCCCCCCCCO 34a_100000066964_100000210303 [1,1,0,0,0,0|1,0,1]=4 4953 B14R0.392 CCCOCCCCCCCCCCBr 34a_100009813290_100000210303 [1,1,0,0,0,0|1,0,1]=4 4954 B14R0.392 CCCOCCCCCCCCCCBr 7a_100009813290_100000210303 [1,1,0,0,0,0|1,0,1]=4 4955 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [1,1,0,0,0,0|1,0,1]=4 4956 B14R0.392 CCCOCCCNCCCCCC=O 2230a_100011217757_100000139337 [1,1,0,0,0,0|2,0,0]=4 4957 B14R0.392 CCCSCCCCCCCCCCO 62a_100000210303_200000033068 [1,1,0,0,0,0|1,0,1]=4 4958 B14R0.392 CCCSCCCCCCCCCCO 62a_100009813290_100000210303 [1,1,0,0,0,0|1,0,1]=4 4959 B14R0.392 CCNCCCCCCCCCCCO 2230a_100015525214_100009812471 [1,1,0,0,0,0|1,0,1]=4 4960 B14R0.392 CCOCCCCCCCCCCCBr 34a_100009812471_100000210202 [1,1,0,0,0,0|1,0,1]=4 4961 B14R0.392 CCOCCCCCCCCCCCBr 7a_100009812471_100000210202 [1,1,0,0,0,0|1,0,1]=4 4962 B14R0.392 CCOCCCCCCCCCCCO 34a_100121572206_100009812471 [1,1,0,0,0,0|1,0,1]=4 4963 B14R0.392 CCSCCCCCCCCCCCO 62a_100009812471_100000210202 [1,1,0,0,0,0|1,0,1]=4 4964 B14R0.392 CNCCCCCCCCCCCCO 2230a_100000066677_200000210301 [1,1,0,0,0,0|1,0,1]=4 4965 B14R0.392 CNCCCCCCCCCCCCO 2230a_106832991635_100009813331 [1,1,0,0,0,0|1,0,1]=4 4966 B14R0.392 CNCCCCCCCCCCCCO 34a_100000066677_200000210301 [1,1,0,0,0,0|1,0,1]=4 4967 B14R0.392 CNCCCCCCCCCCCCO 34a_100102657272_100009813331 [1,1,0,0,0,0|1,0,1]=4 4968 B14R0.392 CNCCCCCCCCCCCCO 7a_106832991635_100009813331 [1,1,0,0,0,0|1,0,1]=4 4969 B14R0.392 COCCCCCCCCCCCCBr 34a_100009813331_200000210301 [1,1,0,0,0,0|0,0,1]=3 4970 B14R0.392 COCCCCCCCCCCCCBr 7a_100009813331_200000210301 [1,1,0,0,0,0|0,0,1]=3 4971 B14R0.392 COCCCCCCCCCCCCN 34a_100000066677_200000210301 [1,1,0,0,0,0|1,0,1]=4 4972 B14R0.392 COCCCCCCCCCCCCO 34a_100138415774_100009813331 [1,1,0,0,0,0|1,0,1]=4 4973 B14R0.392 COCCCCCCOCCCCC=O 7a_200012092642_100000139335 [1,1,0,0,0,0|2,0,0]=4 4974 B14R0.392 COCCCCCCOCCCCCBr 34a_100000746331_100011998445 [1,1,0,0,0,0|1,0,1]=4 4975 B14R0.392 COCCCCCCOCCCCCBr 7a_100000746331_100011998445 [1,1,0,0,0,0|1,0,1]=4 4976 B14R0.392 COCCCCCCSCCCCC=O 62a_100000139335_100011998445 [1,1,0,0,0,0|2,0,0]=4 4977 B14R0.392 COCCCCCCSCCCCC=O 62a_100011998445_100000139335 [1,1,0,0,0,0|2,0,0]=4 4978 B14R0.392 COCCCCCNCCCCCC=O 2230a_100000747528_100000139337 [1,1,0,0,0,0|2,0,0]=4 4979 B14R0.392 COCCCCOCCCCCCCBr 34a_100000760002_100000755781 [1,1,0,0,0,0|1,0,1]=4 4980 B14R0.392 COCCCCOCCCCCCCBr 7a_100000760002_100000730899 [1,1,0,0,0,0|1,0,1]=4 4981 B14R0.392 COCCCOCCCCCCCCBr 34a_100009813846_100000740836 [1,1,0,0,0,0|1,0,1]=4 4982 B14R0.392 COCCCOCCCCCCCCBr 7a_100009813846_100000740836 [1,1,0,0,0,0|1,0,1]=4 4983 B14R0.392 COCCOCCCCCCCCCBr 34a_100009813782_100011201679 [1,1,0,0,0,0|1,0,1]=4 4984 B14R0.392 COCCOCCCCCCCCCBr 7a_100009813782_100000233755 [1,1,0,0,0,0|1,0,1]=4 4985 B14R0.392 CSCCCCCCCCCCCCO 62a_100009813331_200000210301 [1,1,0,0,0,0|1,0,1]=4 4986 B14R0.392 CSCCOCCCCCCCCCBr 34a_100009813782_100000212216 [1,1,0,0,0,0|2,0,0]=4 4987 B14R0.392 CSCCOCCCCCCCCCBr 7a_100009813782_100000212216 [1,1,0,0,0,0|2,0,0]=4 4988 B14R0.392 CSCOCCCCCCCCCCBr 34a_100009813290_100011218213 [1,1,0,0,0,0|2,0,0]=4 4989 B14R0.392 FCCCCCCOCCCCCCBr 34a_100011215345_100015922095 [1,1,0,0,0,0|1,0,1]=4 4990 B14R0.392 FCCCCCCOCCCCCCBr 7a_100011215345_100015922095 [1,1,0,0,0,0|1,0,1]=4 4991 B14R0.392 FCCCCCOCCCCCCCBr 34a_100000760002_100000729378 [1,1,0,0,0,0|1,0,1]=4 4992 B14R0.392 FCCCCCOCCCCCCCBr 7a_100000760002_100000729378 [1,1,0,0,0,0|1,0,1]=4 4993 B14R0.392 FCCCCOCCCCCCCCBr 34a_100009813846_100000729493 [1,1,0,0,0,0|1,0,1]=4 4994 B14R0.392 FCCCCOCCCCCCCCBr 7a_100009813846_100000729493 [1,1,0,0,0,0|1,0,1]=4 4995 B14R0.392 FCCCOCCCCCCCCCBr 34a_100009813782_100011934791 [1,1,0,0,0,0|1,0,1]=4 4996 B14R0.392 FCCCOCCCCCCCCCBr 7a_100009813782_100011934791 [1,1,0,0,0,0|1,0,1]=4 4997 B14R0.392 FCCOCCCCCCCCCCBr 34a_100009813290_100011217306 [1,1,0,0,0,0|1,0,1]=4 4998 B14R0.392 FCCOCCCCCCCCCCBr 7a_100009813290_100011217306 [1,1,0,0,0,0|1,0,1]=4 4999 B14R0.392 FCOCCCCCCCCCCCBr 34a_100009812471_100015361967 [1,1,0,0,0,0|1,0,1]=4 5000 B14R0.392 FCOCCCCCCCCCCCBr 7a_100009812471_100015361967 [1,1,0,0,0,0|1,0,1]=4 5001 B14R0.392 N#CCCCCCCOCCCCCBr 7a_100000746331_100009813337 [1,1,0,0,0,0|1,0,1]=4 5002 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100000139335_100009813337 [1,1,0,0,0,0|1,0,1]=4 5003 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100009813337_100000139335 [1,1,0,0,0,0|1,0,1]=4 5004 B14R0.392 N#CCCCCCOCCCCCCBr 7a_100011215345_100009813376 [1,1,0,0,0,0|1,0,1]=4 5005 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100000139337_100009813376 [1,1,0,0,0,0|1,0,1]=4 5006 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100009813376_100000139337 [1,1,0,0,0,0|1,0,1]=4 5007 B14R0.392 N#CCCCCOCCCCCCCBr 7a_100000760002_100000211819 [1,1,0,0,0,0|1,0,1]=4 5008 B14R0.392 N#CCCCOCCCCCCCCBr 7a_100009813846_100000687738 [1,1,0,0,0,0|1,0,1]=4 5009 B14R0.392 N#CCCOCCCCCCCCCBr 7a_100009813782_100000184422 [1,1,0,0,0,0|1,0,1]=4 5010 B14R0.392 N#CCOCCCCCCCCCCBr 7a_100009813290_100011215382 [1,1,0,0,0,0|1,0,1]=4 5011 B14R0.392 NCCCCCCCCCCOCC=O 34a_100000066964_200009817547 [1,1,0,0,0,0|1,0,0]=3 5012 B14R0.392 NCCCCCCCCCCOCCO 34a_100000066964_100000211926 [1,1,0,0,0,0|1,0,1]=4 5013 B14R0.392 NCCCCCCCCCOCCCO 34a_100000078944_100000230001 [1,1,0,0,0,0|1,0,1]=4 5014 B14R0.392 NCCCCCCCCOCCCCO 34a_102515433106_100011216708 [1,1,0,0,0,0|1,0,1]=4 5015 B14R0.392 NCCCCCCCOCCCCCO 34a_100011996573_100000746330 [1,1,0,0,0,0|1,0,1]=4 5016 B14R0.392 NCCCCCCOCCCCCCO 34a_100000686447_100000766143 [1,1,0,0,0,0|1,0,1]=4 5017 B14R0.392 NCCCCCOCCCCCCCO 34a_100000762737_100000760002 [1,1,0,0,0,0|1,0,1]=4 5018 B14R0.392 NCCCCOCCCCCCCCO 34a_100000750430_100000033203 [1,1,0,0,0,0|1,0,1]=4 5019 B14R0.392 NCCCOCCCCCCCCCO 34a_100000182051_100009813782 [1,1,0,0,0,0|1,0,1]=4 5020 B14R0.392 NCCOCCCCCCCCCCO 34a_100000210304_100009813290 [1,1,0,0,0,0|1,0,1]=4 5021 B14R0.392 O=CCCCCCNCCCCCCO 2230a_100000686447_100000139337 [1,1,0,0,0,0|1,0,0]=3 5022 B14R0.392 O=CCCCCCOCCCCCCBr 7a_100011215345_100000139337 [1,1,0,0,0,0|0,0,0]=2 5023 B14R0.392 O=CCCCCCOCCCCCCCl 7a_100000766143_100000139337 [1,1,0,0,0,0|0,1,0]=3 5024 B14R0.392 O=CCCCCCOCCCCCCF 7a_100000732779_100000139337 [1,1,0,0,0,0|0,1,0]=3 5025 B14R0.392 O=CCCCCCSCCCCCC=O 62a_100000139337_100000139337 [1,1,0,0,0,0|1,0,1]=4 5026 B14R0.392 O=CCCCCCSCCCCCCF 62a_100000139337_100015922095 [1,1,0,0,0,0|0,1,0]=3 5027 B14R0.392 O=CCCCCCSCCCCCCF 62a_100015922095_100000139337 [1,1,0,0,0,0|0,1,0]=3 5028 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000139337_100000766143 [1,1,0,0,0,0|1,0,0]=3 5029 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000766143_100000139337 [1,1,0,0,0,0|1,0,0]=3 5030 B14R0.392 O=CCCCCNCCCCCCCO 2230a_100011996573_100000139335 [1,1,0,0,0,0|1,0,0]=3 5031 B14R0.392 O=CCCCCNCCCOCCCO 2230a_100011310245_100000139335 [1,1,0,0,0,0|2,0,0]=4 5032 B14R0.392 O=CCCCCOCCCCCCCBr 7a_100000760002_100000139335 [1,1,0,0,0,0|0,0,0]=2 5033 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000139335_100000760002 [1,1,0,0,0,0|1,0,0]=3 5034 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000760002_100000139335 [1,1,0,0,0,0|1,0,0]=3 5035 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [1,1,0,0,0,0|1,0,0]=3 5036 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [1,1,0,0,0,0|0,0,0]=2 5037 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [1,1,0,0,0,0|0,1,0]=3 5038 B14R0.392 O=CCCCOCCOCCOCCBr 7a_100010132937_200011292268 [1,1,0,0,0,0|2,0,0]=4 5039 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [1,1,0,0,0,0|1,0,0]=3 5040 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [1,1,0,0,0,0|1,0,0]=3 5041 B14R0.392 O=CCNCCCCCCCCCCO 2230a_100000066964_200015260668 [1,1,0,0,0,0|1,0,0]=3 5042 B14R0.392 O=CCNCCCCCCCCCCO 34a_100000066964_200009817547 [1,1,0,0,0,0|1,0,0]=3 5043 B14R0.392 O=CCOCCCCCCCCCCBr 34a_100009813290_200009817547 [1,1,0,0,0,0|0,0,0]=2 5044 B14R0.392 O=CCOCCCCCCCCCCBr 7a_100009813290_200015260668 [1,1,0,0,0,0|0,0,0]=2 5045 B14R0.392 O=CCOCCCCCCCCCCCl 34a_200000033068_200009817547 [1,1,0,0,0,0|0,1,0]=3 5046 B14R0.392 O=CCOCCCCCCCCCCCl 7a_200000033068_200015260668 [1,1,0,0,0,0|0,1,0]=3 5047 B14R0.392 O=CCSCCCCCCCCCCO 62a_100009813290_200015260668 [1,1,0,0,0,0|1,0,0]=3 5048 B14R0.392 O=CCSCCCCCCCCCCO 62a_200015260668_200000033068 [1,1,0,0,0,0|1,0,0]=3 5049 B14R0.392 OCCCCCCCCCCCSCF 62a_100009812471_100015361967 [1,1,0,0,0,0|0,1,1]=4 5050 B14R0.392 OCCCCCCCCCCNCCF 2230a_100000066964_100011217306 [1,1,0,0,0,0|0,1,1]=4 5051 B14R0.392 OCCCCCCCCCCNCCF 34a_100000066964_100011217306 [1,1,0,0,0,0|0,1,1]=4 5052 B14R0.392 OCCCCCCCCCCNCCF 34a_100000724931_100009813290 [1,1,0,0,0,0|0,1,1]=4 5053 B14R0.392 OCCCCCCCCCCNCCO 2230a_100000066964_100000211926 [1,1,0,0,0,0|1,0,1]=4 5054 B14R0.392 OCCCCCCCCCCNCCO 2230a_100016997473_100009813290 [1,1,0,0,0,0|1,0,1]=4 5055 B14R0.392 OCCCCCCCCCCNCCO 34a_100000066964_100000211926 [1,1,0,0,0,0|1,0,1]=4 5056 B14R0.392 OCCCCCCCCCCNCCO 34a_100016990907_100009813290 [1,1,0,0,0,0|1,0,1]=4 5057 B14R0.392 OCCCCCCCCCCOCCBr 34a_100000211926_100009813290 [1,1,0,0,0,0|0,0,1]=3 5058 B14R0.392 OCCCCCCCCCCSCCF 62a_100009813290_100011217306 [1,1,0,0,0,0|0,1,1]=4 5059 B14R0.392 OCCCCCCCCCCSCCF 62a_100011217306_200000033068 [1,1,0,0,0,0|0,1,1]=4 5060 B14R0.392 OCCCCCCCCCCSCCO 62a_100000211926_200000033068 [1,1,0,0,0,0|1,0,1]=4 5061 B14R0.392 OCCCCCCCCCCSCCO 62a_100009813290_100000211926 [1,1,0,0,0,0|1,0,1]=4 5062 B14R0.392 OCCCCCCCCCNCCCF 2230a_100000078944_100011934791 [1,1,0,0,0,0|0,1,1]=4 5063 B14R0.392 OCCCCCCCCCNCCCF 2230a_100015189416_100009813782 [1,1,0,0,0,0|0,1,1]=4 5064 B14R0.392 OCCCCCCCCCNCCCF 34a_100000078944_100011934791 [1,1,0,0,0,0|0,1,1]=4 5065 B14R0.392 OCCCCCCCCCNCCCF 34a_100015189416_100009813782 [1,1,0,0,0,0|0,1,1]=4 5066 B14R0.392 OCCCCCCCCCNCCCO 2230a_100000078944_100000230001 [1,1,0,0,0,0|1,0,1]=4 5067 B14R0.392 OCCCCCCCCCNCCCO 34a_100000078944_100000230001 [1,1,0,0,0,0|1,0,1]=4 5068 B14R0.392 OCCCCCCCCCOCCCBr 34a_100011217188_100009813782 [1,1,0,0,0,0|0,0,1]=3 5069 B14R0.392 OCCCCCCCCCOCCCCl 34a_100000230001_100009813782 [1,1,0,0,0,0|0,1,1]=4 5070 B14R0.392 OCCCCCCCCCOCCCF 34a_100000759539_100009813782 [1,1,0,0,0,0|0,1,1]=4 5071 B14R0.392 OCCCCCCCCCSCCCF 62a_100009813782_100011934791 [1,1,0,0,0,0|0,1,1]=4 5072 B14R0.392 OCCCCCCCCCSCCCF 62a_100011934791_100009813782 [1,1,0,0,0,0|0,1,1]=4 5073 B14R0.392 OCCCCCCCCCSCCCO 62a_100009813782_100011215043 [1,1,0,0,0,0|1,0,1]=4 5074 B14R0.392 OCCCCCCCCCSCCCO 62a_100011215043_100009813782 [1,1,0,0,0,0|1,0,1]=4 5075 B14R0.392 OCCCCCCCCNCCCCF 2230a_102515433106_100000729493 [1,1,0,0,0,0|0,1,1]=4 5076 B14R0.392 OCCCCCCCCNCCCCF 34a_102515433106_100000729493 [1,1,0,0,0,0|0,1,1]=4 5077 B14R0.392 OCCCCCCCCNCCCCO 2230a_100000750430_100000033203 [1,1,0,0,0,0|1,0,1]=4 5078 B14R0.392 OCCCCCCCCNCCCCO 2230a_102515433106_100000210776 [1,1,0,0,0,0|1,0,1]=4 5079 B14R0.392 OCCCCCCCCNCCCCO 34a_100000750430_100000033203 [1,1,0,0,0,0|1,0,1]=4 5080 B14R0.392 OCCCCCCCCNCCCCO 34a_102515433106_100011216708 [1,1,0,0,0,0|1,0,1]=4 5081 B14R0.392 OCCCCCCCCOCCCCBr 34a_100011216708_100000033203 [1,1,0,0,0,0|0,0,1]=3 5082 B14R0.392 OCCCCCCCCOCCCCCl 34a_100000210776_100000033203 [1,1,0,0,0,0|0,1,1]=4 5083 B14R0.392 OCCCCCCCCOCCCCCl 7a_100000210776_100000033203 [1,1,0,0,0,0|0,1,1]=4 5084 B14R0.392 OCCCCCCCCOCCCCF 34a_100011995726_100000033203 [1,1,0,0,0,0|0,1,1]=4 5085 B14R0.392 OCCCCCCCCOCCCCF 7a_100011995726_100000033203 [1,1,0,0,0,0|0,1,1]=4 5086 B14R0.392 OCCCCCCCCOCCCCI 34a_200012148704_100000033203 [1,1,0,0,0,0|0,1,1]=4 5087 B14R0.392 OCCCCCCCCSCCCCF 62a_100000033203_100000729493 [1,1,0,0,0,0|0,1,1]=4 5088 B14R0.392 OCCCCCCCCSCCCCF 62a_100000729493_100000033203 [1,1,0,0,0,0|0,1,1]=4 5089 B14R0.392 OCCCCCCCCSCCCCO 62a_100000033203_100000210776 [1,1,0,0,0,0|1,0,1]=4 5090 B14R0.392 OCCCCCCCCSCCCCO 62a_100000210776_100000033203 [1,1,0,0,0,0|1,0,1]=4 5091 B14R0.392 OCCCCCCCNCCCCCF 2230a_100011996573_100000729378 [1,1,0,0,0,0|0,1,1]=4 5092 B14R0.392 OCCCCCCCNCCCCCF 34a_100011996573_100000729378 [1,1,0,0,0,0|0,1,1]=4 5093 B14R0.392 OCCCCCCCNCCCCCO 2230a_100000762737_100000760002 [1,1,0,0,0,0|1,0,1]=4 5094 B14R0.392 OCCCCCCCNCCCCCO 2230a_100011996573_100000746330 [1,1,0,0,0,0|1,0,1]=4 5095 B14R0.392 OCCCCCCCNCCCCCO 34a_100000762737_100000760002 [1,1,0,0,0,0|1,0,1]=4 5096 B14R0.392 OCCCCCCCNCCCCCO 34a_100011996573_100000746330 [1,1,0,0,0,0|1,0,1]=4 5097 B14R0.392 OCCCCCCCOCCCCCBr 34a_100000746331_100000760002 [1,1,0,0,0,0|0,0,1]=3 5098 B14R0.392 OCCCCCCCOCCCCCBr 7a_100000746331_100000760002 [1,1,0,0,0,0|0,0,1]=3 5099 B14R0.392 OCCCCCCCOCCCCCCl 34a_100000746330_100000760002 [1,1,0,0,0,0|0,1,1]=4 5100 B14R0.392 OCCCCCCCOCCCCCCl 7a_100000746330_100000760002 [1,1,0,0,0,0|0,1,1]=4 5101 B14R0.392 OCCCCCCCOCCCCCI 34a_200012148887_100000760002 [1,1,0,0,0,0|0,1,1]=4 5102 B14R0.392 OCCCCCCCOCCCCCI 7a_200012148887_100000760002 [1,1,0,0,0,0|0,1,1]=4 5103 B14R0.392 OCCCCCCCOCCOCCBr 34a_100000692535_100000760002 [1,1,0,0,0,0|1,0,1]=4 5104 B14R0.392 OCCCCCCCOCCOCCBr 7a_100000692535_100000760002 [1,1,0,0,0,0|1,0,1]=4 5105 B14R0.392 OCCCCCCCSCCCCCF 62a_100000729378_100000760002 [1,1,0,0,0,0|0,1,1]=4 5106 B14R0.392 OCCCCCCCSCCCCCF 62a_100000760002_100000729378 [1,1,0,0,0,0|0,1,1]=4 5107 B14R0.392 OCCCCCCCSCCCCCO 62a_100000746330_100000760002 [1,1,0,0,0,0|1,0,1]=4 5108 B14R0.392 OCCCCCCCSCCCCCO 62a_100000760002_100000746330 [1,1,0,0,0,0|1,0,1]=4 5109 B14R0.392 OCCCCCCNCCCCCCF 2230a_100000686447_100015922095 [1,1,0,0,0,0|0,1,1]=4 5110 B14R0.392 OCCCCCCNCCCCCCF 34a_100000686447_100015922095 [1,1,0,0,0,0|0,1,1]=4 5111 B14R0.392 OCCCCCCNCCCCCCO 2230a_100000686447_100000766143 [1,1,0,0,0,0|1,0,1]=4 5112 B14R0.392 OCCCCCCNCCCCCCO 34a_100000686447_100000766143 [1,1,0,0,0,0|1,0,1]=4 5113 B14R0.392 OCCCCCCOCCCCCCBr 34a_100011215345_100000766143 [1,1,0,0,0,0|0,0,1]=3 5114 B14R0.392 OCCCCCCOCCCCCCBr 7a_100011215345_100000766143 [1,1,0,0,0,0|0,0,1]=3 5115 B14R0.392 OCCCCCCOCCCCCCCl 34a_100000766143_100000766143 [1,1,0,0,0,0|0,1,1]=4 5116 B14R0.392 OCCCCCCOCCCCCCCl 7a_100000766143_100000766143 [1,1,0,0,0,0|0,1,1]=4 5117 B14R0.392 OCCCCCCOCCCCCCF 34a_100000732779_100000766143 [1,1,0,0,0,0|0,1,1]=4 5118 B14R0.392 OCCCCCCOCCCCCCF 7a_100000732779_100000766143 [1,1,0,0,0,0|0,1,1]=4 5119 B14R0.392 OCCCCCCSCCCCCCF 62a_100000766143_100015922095 [1,1,0,0,0,0|0,1,1]=4 5120 B14R0.392 OCCCCCCSCCCCCCF 62a_100015922095_100000766143 [1,1,0,0,0,0|0,1,1]=4 5121 B14R0.392 OCCCCCCSCCCCCCO 62a_100000766143_100000766143 [1,1,0,0,0,0|1,0,1]=4 5122 B14R0.392 OCCCCCOCCCCCCCBr 34a_100000760002_100000746330 [1,1,0,0,0,0|0,0,1]=3 5123 B14R0.392 OCCCCCOCCCCCCCBr 7a_100000760002_100000746330 [1,1,0,0,0,0|0,0,1]=3 5124 B14R0.392 OCCCCOCCCCCCCCBr 34a_100009813846_100011216708 [1,1,0,0,0,0|0,0,1]=3 5125 B14R0.392 OCCCCOCCCCCCCCBr 7a_100009813846_100000210776 [1,1,0,0,0,0|0,0,1]=3 5126 B14R0.392 OCCCCOCCCCCCCCCl 34a_100000033203_100011216708 [1,1,0,0,0,0|0,1,1]=4 5127 B14R0.392 OCCCCOCCCCCCCCCl 7a_100000033203_100000210776 [1,1,0,0,0,0|0,1,1]=4 5128 B14R0.392 OCCCOCCCCCCCCCBr 34a_100009813782_100000230001 [1,1,0,0,0,0|0,0,1]=3 5129 B14R0.392 OCCCOCCCCCCCCCBr 7a_100009813782_100011215043 [1,1,0,0,0,0|0,0,1]=3 5130 B14R0.392 OCCCOCCCCCCCCCCl 34a_100009868337_100000230001 [1,1,0,0,0,0|0,1,1]=4 5131 B14R0.392 OCCCOCCCCCCCCCCl 7a_100009868337_100011215043 [1,1,0,0,0,0|0,1,1]=4 5132 B14R0.392 OCCOCCCCCCCCCCBr 34a_100009813290_100000211926 [1,1,0,0,0,0|0,0,1]=3 5133 B14R0.392 OCCOCCCCCCCCCCBr 7a_100009813290_100000211926 [1,1,0,0,0,0|0,0,1]=3 5134 B14R0.392 OCCOCCCCCCCCCCCl 34a_200000033068_100000211926 [1,1,0,0,0,0|0,1,1]=4 5135 B14R0.392 OCCOCCCCCCCCCCCl 7a_200000033068_100000211926 [1,1,0,0,0,0|0,1,1]=4 5136 B14R0.392 OCCOCCOCCCCCCCBr 34a_100000760002_100000692535 [1,1,0,0,0,0|1,0,1]=4 5137 B14R0.392 OCCOCCOCCCCCCCBr 7a_100000760002_100011215305 [1,1,0,0,0,0|1,0,1]=4 5138 B14R0.392 [13CH3]NCCCCCCCCCCCCO 2230a_100000066677_200025704644 [1,1,0,0,0,0|1,0,1]=4 5139 B14R0.392 [13CH3]NCCCCCCCCCCCCO 34a_100000066677_200025704644 [1,1,0,0,0,0|1,0,1]=4 5140 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 34a_100009813331_200025704644 [1,1,0,0,0,0|0,0,1]=3 5141 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 7a_100009813331_200025704644 [1,1,0,0,0,0|0,0,1]=3 5142 B14R0.392 [13CH3]OCCCCCCCCCCCCN 34a_100000066677_200025704644 [1,1,0,0,0,0|1,0,1]=4 5143 B14R0.392 [13CH3]SCCCCCCCCCCCCO 62a_100009813331_200025704644 [1,1,0,0,0,0|1,0,1]=4 5144 B14R0.393 C=CCCCCCCCOC(C)CCBr 34a_100012276601_100012355270 [1,1,0,0,0,0|2,0,0]=4 5145 B14R0.393 CC(CCBr)OCCCCCCCCO 34a_100012276601_100000033203 [1,1,0,0,0,0|1,0,1]=4 5146 B14R0.393 CC(CCO)OCCCCCCCCBr 34a_100009813846_100009893172 [1,1,0,0,0,0|1,0,1]=4 5147 B14R0.393 CC(CCO)OCCCCCCCCBr 7a_100009813846_100009893172 [1,1,0,0,0,0|1,0,1]=4 5148 B14R0.393 CCCC(C)CCCOCCCCC=O 7a_100011713154_100000139335 [1,1,0,0,0,0|2,0,0]=4 5149 B14R0.393 CCCC(C)CCOCCCCCC=O 7a_100011217855_100000139337 [1,1,0,0,0,0|2,0,0]=4 5150 B14R0.393 CCCCCCCCCCN(C)CC=O 2230a_100000207566_200015260668 [1,1,0,0,0,0|2,0,0]=4 5151 B14R0.393 CCCCCCCCCCN(C)CC=O 269982a_100000207566_200015260668 [1,1,0,0,0,0|2,0,0]=4 5152 B14R0.493 CCCCC(C)COCCCCCC=O 7a_100011995851_100000139337 [1,1,0,0,0,0|2,0,0]=4 5153 B14R0.493 CCCCCCCCCC(C)OCC=O 34a_100011218016_200009817547 [1,1,0,0,0,0|2,0,0]=4 5154 B14R0.493 CCCCCCCCCC(C)OCC=O 7a_100011218016_200015260668 [1,1,0,0,0,0|2,0,0]=4 5155 B14R0.493 C[C@H](CCCO)CNCCCCCC=O 2230a_100160569302_100000139337 [1,1,0,0,0,0|2,0,0]=4 5156 B16R0.67 CC(C(=O)O)N(C)CCCCCCCCCO 269956a_100000749554_100009813782 [0,2,0,0,0,0|2,0,0]=4 5157 B16R0.67 CCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210320 [0,2,0,0,0,0|2,0,0]=4 5158 B16R0.110 CCCCCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_200011218727 [0,2,0,0,0,0|2,0,0]=4 5159 B16R0.302 C#CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100153394163 [0,2,0,0,0,0|1,0,1]=4 5160 B16R0.302 C=CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100009814027 [0,2,0,0,0,0|1,0,1]=4 5161 B16R0.302 C=CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012355270 [0,2,0,0,0,0|1,0,1]=4 5162 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100000210736_100000187820 [0,2,0,0,0,0|2,0,0]=4 5163 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215454 [0,2,0,0,0,0|2,0,0]=4 5164 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210736_100020667443 [0,2,0,0,0,0|1,0,1]=4 5165 B16R0.302 CCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215454 [0,2,0,0,0,0|2,0,0]=4 5166 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [0,2,0,0,0,0|1,0,0]=3 5167 B16R0.302 CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210670 [0,2,0,0,0,0|1,0,0]=3 5168 B16R0.302 CN(CCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813290 [0,2,0,0,0,0|2,0,0]=4 5169 B16R0.302 CN(CCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813290 [0,2,0,0,0,0|1,0,0]=3 5170 B16R0.302 NC(=O)CC(=O)CCCCCCCCCCO 1458a_100134613110_100009813290 [0,2,0,0,0,0|2,0,0]=4 5171 B16R0.302 O=C(O)CC(O)CNCCCCCCCCO 269956a_100011218706_100000033203 [0,2,0,0,0,0|1,0,0]=3 5172 B16R0.657 CCCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210320 [0,2,0,0,0,0|2,0,0]=4 5173 B16R0.657 CCCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210670 [0,2,0,0,0,0|2,0,0]=4 5174 B16R0.657 CCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210670 [0,2,0,0,0,0|2,0,0]=4 5175 B16R0.657 CCN(CCCCCCCCCO)CC(=O)O 269956a_100000746405_100009813782 [0,2,0,0,0,0|2,0,0]=4 5176 B16R0.657 CC[C@H](CC(=O)O)NCCCCCCCCO 269956a_100016995926_100000033203 [0,2,0,0,0,0|2,0,0]=4 5177 B16R0.657 O=C(O)C[C@@H](CO)NCCCCCCCCO 269956a_100009816507_100000033203 [0,2,0,0,0,0|2,0,0]=4 5178 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)OC 1458a_100000210375_100000747449 [0,2,0,0,0,0|1,0,1]=4 5179 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210319 [0,2,0,0,0,0|1,0,1]=4 5180 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210320 [0,2,0,0,0,0|2,0,0]=4 5181 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 2230a_100000207566_100000747449 [0,2,0,0,0,0|2,0,0]=4 5182 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 269982a_100000207566_100000747449 [0,2,0,0,0,0|2,0,0]=4 5183 B16R0.1182 CCCCCCCCCNC(C)CC(=O)OC 2230a_100000212291_100009817358 [0,2,0,0,0,0|2,0,0]=4 5184 B16R0.1182 CCCCCCCCCNC(C)CC(=O)OC 34a_100000212291_100009817358 [0,2,0,0,0,0|2,0,0]=4 5185 B16R0.1182 CCCCCCCCCOC(C)CC(=O)OC 34a_100000210712_100009817358 [0,2,0,0,0,0|2,0,0]=4 5186 B16R0.1182 CCCCCCCCCOC(C)CC(=O)OC 7a_100000210712_100009817358 [0,2,0,0,0,0|2,0,0]=4 5187 B16R0.1182 CCCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210670 [0,2,0,0,0,0|2,0,0]=4 5188 B16R0.1182 CCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000229939_100000754131 [0,2,0,0,0,0|2,0,0]=4 5189 B16R0.1182 CCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210232_100000754131 [0,2,0,0,0,0|2,0,0]=4 5190 B16R0.1182 CCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210232_100000754131 [0,2,0,0,0,0|2,0,0]=4 5191 B16R0.1182 CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000210759_100000754131 [0,2,0,0,0,0|2,0,0]=4 5192 B16R0.1182 CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210317 [0,2,0,0,0,0|2,0,0]=4 5193 B16R0.1182 COC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000747449 [0,2,0,0,0,0|0,1,1]=4 5194 B16R0.1182 COC(=O)CC(=O)CCCCCCCCCO 1458a_100000211351_100009813782 [0,2,0,0,0,0|1,0,1]=4 5195 B16R0.1182 COC(=O)CC(C)NCCCCCCCCO 2230a_102515433106_100009817358 [0,2,0,0,0,0|2,0,0]=4 5196 B16R0.1182 COC(=O)CC(C)NCCCCCCCCO 34a_102515433106_100009817358 [0,2,0,0,0,0|2,0,0]=4 5197 B16R0.1182 COC(=O)CC(C)OCCCCCCCCBr 34a_100009813846_100009817358 [0,2,0,0,0,0|1,0,0]=3 5198 B16R0.1182 COC(=O)CC(C)OCCCCCCCCBr 7a_100009813846_100009817358 [0,2,0,0,0,0|1,0,0]=3 5199 B16R0.1182 COC(=O)CC(C)OCCCCCCCCCl 34a_100000033203_100009817358 [0,2,0,0,0,0|1,1,0]=4 5200 B16R0.1182 COC(=O)CC(C)OCCCCCCCCCl 7a_100000033203_100009817358 [0,2,0,0,0,0|1,1,0]=4 5201 B16R0.1182 COC(=O)CC(C)OCCCCCCCCN 34a_102515433106_100009817358 [0,2,0,0,0,0|2,0,0]=4 5202 B16R0.1182 COC(=O)CC(C)SCCCCCCCCO 62a_100000033203_100009817358 [0,2,0,0,0,0|2,0,0]=4 5203 B16R0.1182 COC(=O)CC(C)SCCCCCCCCO 62a_100009817358_100000033203 [0,2,0,0,0,0|2,0,0]=4 5204 B16R0.1182 COC(=O)CN(C)CCCCCCCCCO 2230a_100000198492_100009813782 [0,2,0,0,0,0|2,0,0]=4 5205 B16R0.1182 COC(=O)C[C@@H](O)CNCCCCCCCO 34a_100011996573_100000754131 [0,2,0,0,0,0|2,0,0]=4 5206 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCBr 34a_100000760002_100000754131 [0,2,0,0,0,0|1,0,0]=3 5207 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCBr 7a_100000760002_100000754131 [0,2,0,0,0,0|1,0,0]=3 5208 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCN 34a_100011996573_100000754131 [0,2,0,0,0,0|2,0,0]=4 5209 B16R0.1182 COC(=O)C[C@@H](O)CSCCCCCCCO 62a_100000754131_100000760002 [0,2,0,0,0,0|2,0,0]=4 5210 B16R0.1182 COC(=O)C[C@@H](O)CSCCCCCCCO 62a_100000760002_100000754131 [0,2,0,0,0,0|2,0,0]=4 5211 B16R0.8617 CC(C)(CC(=O)O)NCCCCCCCCO 269956a_100000755897_100000033203 [0,2,0,0,0,0|2,0,0]=4 5212 B16R0.8617 CCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210670 [0,2,0,0,0,0|2,0,0]=4 5213 B16R0.7 CCCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210211 [0,2,0,0,0,0|1,0,1]=4 5214 B16R0.7 CCCCC(=O)CCCCCCCC(=O)OC 1458a_100000210183_100010004213 [0,2,0,0,0,0|1,0,1]=4 5215 B16R0.7 CCCCC(C)CCCCOCCC(=O)OC 34a_200011021034_100000742370 [0,2,0,0,0,0|2,0,0]=4 5216 B16R0.7 CCCCC(C)CCCCOCCC(=O)OC 7a_200011021034_100000204255 [0,2,0,0,0,0|2,0,0]=4 5217 B16R0.7 CCCCC(C)COCCCCCC(=O)OC 34a_100011995851_100009816466 [0,2,0,0,0,0|2,0,0]=4 5218 B16R0.7 CCCCC(C)COCCCCCC(=O)OC 7a_100011995851_100009816466 [0,2,0,0,0,0|2,0,0]=4 5219 B16R0.7 CCCCC(C)NCCCCCCC(=O)OC 2230a_100000126638_100009815986 [0,2,0,0,0,0|2,0,0]=4 5220 B16R0.7 CCCCC(C)OCCCCCCC(=O)OC 34a_100000687866_100009815986 [0,2,0,0,0,0|2,0,0]=4 5221 B16R0.7 CCCCC(C)OCCCCCCC(=O)OC 34a_100009863599_200011215066 [0,2,0,0,0,0|2,0,0]=4 5222 B16R0.7 CCCCC(C)OCCCCCCC(=O)OC 7a_100000687866_100009815986 [0,2,0,0,0,0|2,0,0]=4 5223 B16R0.7 CCCCC(C)OCCCCCCC(=O)OC 7a_100009863599_200011215066 [0,2,0,0,0,0|2,0,0]=4 5224 B16R0.7 CCCCC(C)SCCCCCCC(=O)OC 62a_100009815986_200011215066 [0,2,0,0,0,0|2,0,0]=4 5225 B16R0.7 CCCCC(C)SCCCCCCC(=O)OC 62a_200011215066_100009815986 [0,2,0,0,0,0|2,0,0]=4 5226 B16R0.7 CCCCN(C)CCCCCCCC(=O)OC 2230a_100000207549_100010004213 [0,2,0,0,0,0|2,0,0]=4 5227 B16R0.7 CCCCN(C)CCCCCCCC(=O)OC 269982a_100000207549_100010004213 [0,2,0,0,0,0|2,0,0]=4 5228 B16R0.7 CCCC[C@H](N)COCCCCCC(=O)OC 34a_100011934283_100009816466 [0,2,0,0,0,0|2,0,0]=4 5229 B16R0.7 COC(=O)CCCCCCCC(=O)CCCF 1458a_100000033222_100011934791 [0,2,0,0,0,0|0,1,1]=4 5230 B16R0.7 COC(=O)CCCCCCCC(=O)CCCO 1458a_100000033222_100011215043 [0,2,0,0,0,0|1,0,1]=4 5231 B16R0.7 COC(=O)CCCCCCCN(C)CCCO 2230a_100000213112_100010004213 [0,2,0,0,0,0|2,0,0]=4 5232 B16R0.7 COC(=O)CCCCCCCN(C)CCCO 269982a_100000213112_100010004213 [0,2,0,0,0,0|2,0,0]=4 5233 B16R0.7 COC(=O)CCCCCCOC(C)CCCCl 34a_200000718107_100009815986 [0,2,0,0,0,0|1,1,0]=4 5234 B16R0.7 COC(=O)CCCCCCOC(C)CCCCl 7a_200000718107_100009815986 [0,2,0,0,0,0|1,1,0]=4 5235 B16R0.7 COC(=O)CCCCCNC[C@H](C)CCCO 2230a_100160569302_100009816466 [0,2,0,0,0,0|2,0,0]=4 5236 B16R0.7 COC(=O)CCCCCNC[C@H](C)CCCO 34a_100160569302_100009816466 [0,2,0,0,0,0|2,0,0]=4 5237 B16R0.61 C#CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000184674 [0,2,0,0,0,0|2,0,0]=4 5238 B16R0.61 C#CCC(=O)CCCCCCCCCCCC 1458a_100011220946_100000759014 [0,2,0,0,0,0|2,0,0]=4 5239 B16R0.61 C#CCC(=O)CCCCCCCCCCCO 1458a_100011220946_100009812471 [0,2,0,0,0,0|2,0,0]=4 5240 B16R0.61 C=CCC(=O)CCCCCCCCCCCO 1458a_100000210193_100009812471 [0,2,0,0,0,0|2,0,0]=4 5241 B16R0.61 C=CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011093070 [0,2,0,0,0,0|1,0,1]=4 5242 B16R0.61 C=CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011093070 [0,2,0,0,0,0|1,0,1]=4 5243 B16R0.61 C=COC(=O)CNCCCCCCCCCC 2230a_100000684558_100000036128 [0,2,0,0,0,0|2,0,0]=4 5244 B16R0.61 C=COC(=O)CNCCCCCCCCCC 34a_100000684558_100000036128 [0,2,0,0,0,0|2,0,0]=4 5245 B16R0.61 C=COC(=O)CNCCCCCCCCCO 2230a_100000078944_100000036128 [0,2,0,0,0,0|2,0,0]=4 5246 B16R0.61 C=COC(=O)CNCCCCCCCCCO 34a_100000078944_100000036128 [0,2,0,0,0,0|2,0,0]=4 5247 B16R0.61 C=COC(=O)COCCCCCCCCCBr 34a_100009813782_100000036128 [0,2,0,0,0,0|1,0,0]=3 5248 B16R0.61 C=COC(=O)COCCCCCCCCCC 34a_100000210711_100000036128 [0,2,0,0,0,0|2,0,0]=4 5249 B16R0.61 C=COC(=O)COCCCCCCCCCCl 34a_100009868337_100000036128 [0,2,0,0,0,0|1,1,0]=4 5250 B16R0.61 C=COC(=O)COCCCCCCCCCN 34a_100000078944_100000036128 [0,2,0,0,0,0|2,0,0]=4 5251 B16R0.61 C=COC(=O)CSCCCCCCCCCC 62a_100000036128_100000210320 [0,2,0,0,0,0|2,0,0]=4 5252 B16R0.61 C=COC(=O)CSCCCCCCCCCO 62a_100000036128_100009813782 [0,2,0,0,0,0|2,0,0]=4 5253 B16R0.61 C=COC(=O)CSCCCCCCCCCO 62a_100009813782_100000036128 [0,2,0,0,0,0|2,0,0]=4 5254 B16R0.61 CC#CC(=O)CCCCCCCCCCCC 1458a_100000763181_100000759014 [0,2,0,0,0,0|2,0,0]=4 5255 B16R0.61 CC#CC(=O)CCCCCCCCCCCO 1458a_100000763181_100009812471 [0,2,0,0,0,0|2,0,0]=4 5256 B16R0.61 CC=CC(=O)CCCCCCCCCCCO 1458a_100000210699_100009812471 [0,2,0,0,0,0|2,0,0]=4 5257 B16R0.61 CCCC(=O)CCCCCCCCCCCO 1458a_100000211992_100009812471 [0,2,0,0,0,0|2,0,0]=4 5258 B16R0.61 CCCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747444 [0,2,0,0,0,0|2,0,0]=4 5259 B16R0.61 CCCCCCCCCCCCC(=O)CC#N 1458a_100011215791_100011214920 [0,2,0,0,0,0|2,0,0]=4 5260 B16R0.61 CCCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000759014 [0,2,0,0,0,0|2,0,0]=4 5261 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011215791_100000211926 [0,2,0,0,0,0|1,0,0]=3 5262 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000759014 [0,2,0,0,0,0|1,0,0]=3 5263 B16R0.61 CCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000759014 [0,2,0,0,0,0|1,0,0]=3 5264 B16R0.61 CCCCCCCCCCCCC(=O)NCC 11a_100015525214_100011215791 [0,2,0,0,0,0|2,0,0]=4 5265 B16R0.61 CCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100011215791 [0,2,0,0,0,0|2,0,0]=4 5266 B16R0.61 CCCCCCCCCCCCC(=O)NNC 22a_100016993582_100011215791 [0,2,0,0,0,0|2,0,0]=4 5267 B16R0.61 CCCCCCCCCCCNC(=O)CCO 240690a_200011215754_100011216618 [0,2,0,0,0,0|2,0,0]=4 5268 B16R0.61 CCCCCCCCCCCNC(=O)COC 11a_200011215754_100000210968 [0,2,0,0,0,0|2,0,0]=4 5269 B16R0.61 CCCCCCCCCCCNC(=O)COC 1626a_200011215754_100000210968 [0,2,0,0,0,0|2,0,0]=4 5270 B16R0.61 CCCCCCCCCCCNC(=O)COC 240690a_200011215754_100000210968 [0,2,0,0,0,0|2,0,0]=4 5271 B16R0.61 CCCCCCCCCCCNC(=O)COC 527a_200011215754_100000210968 [0,2,0,0,0,0|2,0,0]=4 5272 B16R0.61 CCCCCCCCCCNCC(=O)NCO 2230a_100000684558_100000185155 [0,2,0,0,0,0|2,0,0]=4 5273 B16R0.61 CCCCCCCCCCNCC(=O)NCO 34a_100000684558_100000185155 [0,2,0,0,0,0|2,0,0]=4 5274 B16R0.61 CCCCCCCCCCNCC(=O)OCC 2230a_100000684558_100000188475 [0,2,0,0,0,0|2,0,0]=4 5275 B16R0.61 CCCCCCCCCCNCC(=O)OCC 34a_100000684558_100000188475 [0,2,0,0,0,0|2,0,0]=4 5276 B16R0.61 CCCCCCCCCCOCC(=O)NCO 34a_100000210711_100000185155 [0,2,0,0,0,0|2,0,0]=4 5277 B16R0.61 CCCCCCCCCCOCC(=O)NCO 7a_100000210711_100000185155 [0,2,0,0,0,0|2,0,0]=4 5278 B16R0.61 CCCCCCCCCCOCC(=O)OCC 34a_100000210711_100000188475 [0,2,0,0,0,0|2,0,0]=4 5279 B16R0.61 CCCCCCCCCCOCC(=O)OCC 7a_100000210711_100000188475 [0,2,0,0,0,0|2,0,0]=4 5280 B16R0.61 CCCCCCCCCCSCC(=O)NCO 62a_100000185155_100000210320 [0,2,0,0,0,0|2,0,0]=4 5281 B16R0.61 CCCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210320 [0,2,0,0,0,0|2,0,0]=4 5282 B16R0.61 CCCCCCCCCNCCC(=O)OCC 2230a_100000212291_100011206558 [0,2,0,0,0,0|2,0,0]=4 5283 B16R0.61 CCCCCCCCCNCCC(=O)OCC 34a_100000212291_100000765890 [0,2,0,0,0,0|2,0,0]=4 5284 B16R0.61 CCCCCCCCCOCCC(=O)OCC 34a_100000210712_100000765890 [0,2,0,0,0,0|2,0,0]=4 5285 B16R0.61 CCCCCCCCCOCCC(=O)OCC 7a_100000210712_100011206558 [0,2,0,0,0,0|2,0,0]=4 5286 B16R0.61 CCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210670 [0,2,0,0,0,0|2,0,0]=4 5287 B16R0.61 CCCCCCCCNCCCC(=O)OCC 2230a_100000229939_100009991533 [0,2,0,0,0,0|2,0,0]=4 5288 B16R0.61 CCCCCCCCNCCCC(=O)OCC 34a_100000229939_100009991533 [0,2,0,0,0,0|2,0,0]=4 5289 B16R0.61 CCCCCCCCOCCCC(=O)OCC 34a_100000210232_100009991533 [0,2,0,0,0,0|2,0,0]=4 5290 B16R0.61 CCCCCCCCOCCCC(=O)OCC 7a_100000210232_100011215271 [0,2,0,0,0,0|2,0,0]=4 5291 B16R0.61 CCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210759 [0,2,0,0,0,0|2,0,0]=4 5292 B16R0.61 CCCCCCCCSCCCC(=O)OCC 62a_100000210759_100009991533 [0,2,0,0,0,0|2,0,0]=4 5293 B16R0.61 CCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210317 [0,2,0,0,0,0|2,0,0]=4 5294 B16R0.61 CCCCCCCNCCCCC(=O)OCC 2230a_100000229938_100000750268 [0,2,0,0,0,0|2,0,0]=4 5295 B16R0.61 CCCCCCCOCCCCC(=O)OCC 34a_100000210272_100000750268 [0,2,0,0,0,0|2,0,0]=4 5296 B16R0.61 CCCCCCCOCCCCC(=O)OCC 7a_100000210272_100000750268 [0,2,0,0,0,0|2,0,0]=4 5297 B16R0.61 CCCCCCCSCCCCC(=O)OCC 62a_100000210614_100000750268 [0,2,0,0,0,0|2,0,0]=4 5298 B16R0.61 CCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210316 [0,2,0,0,0,0|2,0,0]=4 5299 B16R0.61 CCCCCCNCCCCCC(=O)OCC 2230a_100000210581_100000755133 [0,2,0,0,0,0|2,0,0]=4 5300 B16R0.61 CCCCCCOCCCCCC(=O)OCC 34a_100000210259_100000755133 [0,2,0,0,0,0|2,0,0]=4 5301 B16R0.61 CCCCCCOCCCCCC(=O)OCC 7a_100000210259_100000755133 [0,2,0,0,0,0|2,0,0]=4 5302 B16R0.61 CCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210314 [0,2,0,0,0,0|2,0,0]=4 5303 B16R0.61 CCCCCCSCCCCCC(=O)OCC 62a_100000210314_100000755133 [0,2,0,0,0,0|2,0,0]=4 5304 B16R0.61 CCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210757 [0,2,0,0,0,0|2,0,0]=4 5305 B16R0.61 CCCCCNCCCCCCC(=O)OCC 2230a_100000209983_100009814379 [0,2,0,0,0,0|2,0,0]=4 5306 B16R0.61 CCCCCOCCCCCCC(=O)OCC 34a_100000210253_100009814379 [0,2,0,0,0,0|2,0,0]=4 5307 B16R0.61 CCCCCOCCCCCCC(=O)OCC 7a_100000210253_100009814379 [0,2,0,0,0,0|2,0,0]=4 5308 B16R0.61 CCCCCSCCCCCCC(=O)OCC 62a_100000210326_100009814379 [0,2,0,0,0,0|2,0,0]=4 5309 B16R0.61 CCCCNCCCCCCCC(=O)OCC 2230a_100000102301_100009991516 [0,2,0,0,0,0|2,0,0]=4 5310 B16R0.61 CCCCNCCCCCCCC(=O)OCC 7a_106832991798_100009991516 [0,2,0,0,0,0|2,0,0]=4 5311 B16R0.61 CCCCOCCCCCCCC(=O)OCC 34a_100000210227_100009991516 [0,2,0,0,0,0|2,0,0]=4 5312 B16R0.61 CCCCOCCCCCCCC(=O)OCC 7a_100000210227_100009991516 [0,2,0,0,0,0|2,0,0]=4 5313 B16R0.61 CCCCSCCCCCCCC(=O)OCC 62a_100000210211_100009991516 [0,2,0,0,0,0|2,0,0]=4 5314 B16R0.61 CCCOCCCCCCCCC(=O)OCC 34a_100000210258_100010175975 [0,2,0,0,0,0|2,0,0]=4 5315 B16R0.61 CCCSCCCCCCCCC(=O)OCC 62a_100000210303_100010175975 [0,2,0,0,0,0|2,0,0]=4 5316 B16R0.61 CCNC(=O)CCCCCCCCCCCO 240690a_100015525214_100000037981 [0,2,0,0,0,0|2,0,0]=4 5317 B16R0.61 CCNC(=O)CCOCCCCCCCCBr 7a_100009813846_100000737597 [0,2,0,0,0,0|2,0,0]=4 5318 B16R0.61 CCNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183381 [0,2,0,0,0,0|2,0,0]=4 5319 B16R0.61 CCNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183381 [0,2,0,0,0,0|2,0,0]=4 5320 B16R0.61 CCNCCCCCCCCCC(=O)OCC 2230a_100015525214_100009828014 [0,2,0,0,0,0|2,0,0]=4 5321 B16R0.61 CCOC(=O)CCCCCCCCCCNC 2230a_106832991635_100009827693 [0,2,0,0,0,0|2,0,0]=4 5322 B16R0.61 CCOC(=O)CCCCCCCCCCNC 34a_100102657272_100009827693 [0,2,0,0,0,0|2,0,0]=4 5323 B16R0.61 CCOC(=O)CCCCCCCCCCNC 7a_106832991635_100009827693 [0,2,0,0,0,0|2,0,0]=4 5324 B16R0.61 CCOC(=O)CCCCCCCCCCOC 34a_100138415774_100009827693 [0,2,0,0,0,0|2,0,0]=4 5325 B16R0.61 CCOC(=O)CCCCCCCCCCSC 62a_200000210301_100009827693 [0,2,0,0,0,0|2,0,0]=4 5326 B16R0.61 CCOC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009827693 [0,2,0,0,0,0|2,0,0]=4 5327 B16R0.61 CCOC(=O)CCCCCCCCCSCC 62a_100000210202_100009828014 [0,2,0,0,0,0|2,0,0]=4 5328 B16R0.61 CCOC(=O)CCCCCCCCCSCF 62a_100015361967_100009828014 [0,2,0,0,0,0|1,1,0]=4 5329 B16R0.61 CCOC(=O)CCCCCCCCNCCF 34a_100000724931_100010175975 [0,2,0,0,0,0|1,1,0]=4 5330 B16R0.61 CCOC(=O)CCCCCCCCNCCO 2230a_100016997473_100010175975 [0,2,0,0,0,0|2,0,0]=4 5331 B16R0.61 CCOC(=O)CCCCCCCCNCCO 34a_100016990907_100010175975 [0,2,0,0,0,0|2,0,0]=4 5332 B16R0.61 CCOC(=O)CCCCCCCCOCCBr 34a_100000211926_100010175975 [0,2,0,0,0,0|1,0,0]=3 5333 B16R0.61 CCOC(=O)CCCCCCCCOCCN 34a_100000210304_100010175975 [0,2,0,0,0,0|2,0,0]=4 5334 B16R0.61 CCOC(=O)CCCCCCCCSCCF 62a_100011217306_100010175975 [0,2,0,0,0,0|1,1,0]=4 5335 B16R0.61 CCOC(=O)CCCCCCCCSCCO 62a_100000211926_100010175975 [0,2,0,0,0,0|2,0,0]=4 5336 B16R0.61 CCOC(=O)CCCCCCCNCCCF 2230a_100015189416_100009991516 [0,2,0,0,0,0|1,1,0]=4 5337 B16R0.61 CCOC(=O)CCCCCCCNCCCF 34a_100015189416_100009991516 [0,2,0,0,0,0|1,1,0]=4 5338 B16R0.61 CCOC(=O)CCCCCCCOCCCBr 34a_100011217188_100009991516 [0,2,0,0,0,0|1,0,0]=3 5339 B16R0.61 CCOC(=O)CCCCCCCOCCCCl 34a_100000230001_100009991516 [0,2,0,0,0,0|1,1,0]=4 5340 B16R0.61 CCOC(=O)CCCCCCCOCCCF 34a_100000759539_100009991516 [0,2,0,0,0,0|1,1,0]=4 5341 B16R0.61 CCOC(=O)CCCCCCCOCCCN 34a_100000182051_100009991516 [0,2,0,0,0,0|2,0,0]=4 5342 B16R0.61 CCOC(=O)CCCCCCCSCCCF 62a_100011934791_100009991516 [0,2,0,0,0,0|1,1,0]=4 5343 B16R0.61 CCOC(=O)CCCCCCCSCCCO 62a_100011215043_100009991516 [0,2,0,0,0,0|2,0,0]=4 5344 B16R0.61 CCOC(=O)CCCCCCNCCCCO 2230a_100000750430_100009814379 [0,2,0,0,0,0|2,0,0]=4 5345 B16R0.61 CCOC(=O)CCCCCCNCCCCO 34a_100000750430_100009814379 [0,2,0,0,0,0|2,0,0]=4 5346 B16R0.61 CCOC(=O)CCCCCCOCCCCBr 34a_100011216708_100009814379 [0,2,0,0,0,0|1,0,0]=3 5347 B16R0.61 CCOC(=O)CCCCCCOCCCCCl 34a_100000210776_100009814379 [0,2,0,0,0,0|1,1,0]=4 5348 B16R0.61 CCOC(=O)CCCCCCOCCCCCl 7a_100000210776_100009814379 [0,2,0,0,0,0|1,1,0]=4 5349 B16R0.61 CCOC(=O)CCCCCCOCCCCF 34a_100011995726_100009814379 [0,2,0,0,0,0|1,1,0]=4 5350 B16R0.61 CCOC(=O)CCCCCCOCCCCF 7a_100011995726_100009814379 [0,2,0,0,0,0|1,1,0]=4 5351 B16R0.61 CCOC(=O)CCCCCCOCCCCI 34a_200012148704_100009814379 [0,2,0,0,0,0|1,1,0]=4 5352 B16R0.61 CCOC(=O)CCCCCCOCCCCN 34a_100000750430_100009814379 [0,2,0,0,0,0|2,0,0]=4 5353 B16R0.61 CCOC(=O)CCCCCCSCCCCF 62a_100000729493_100009814379 [0,2,0,0,0,0|1,1,0]=4 5354 B16R0.61 CCOC(=O)CCCCCCSCCCCO 62a_100000210776_100009814379 [0,2,0,0,0,0|2,0,0]=4 5355 B16R0.61 CCOC(=O)CCCCCNCCCCCO 2230a_100000762737_100000755133 [0,2,0,0,0,0|2,0,0]=4 5356 B16R0.61 CCOC(=O)CCCCCNCCCCCO 34a_100000762737_100000755133 [0,2,0,0,0,0|2,0,0]=4 5357 B16R0.61 CCOC(=O)CCCCCOCCCCCBr 34a_100000746331_100000755133 [0,2,0,0,0,0|1,0,0]=3 5358 B16R0.61 CCOC(=O)CCCCCOCCCCCBr 7a_100000746331_100000755133 [0,2,0,0,0,0|1,0,0]=3 5359 B16R0.61 CCOC(=O)CCCCCOCCCCCCl 34a_100000746330_100000755133 [0,2,0,0,0,0|1,1,0]=4 5360 B16R0.61 CCOC(=O)CCCCCOCCCCCCl 7a_100000746330_100000755133 [0,2,0,0,0,0|1,1,0]=4 5361 B16R0.61 CCOC(=O)CCCCCOCCCCCF 7a_100011214988_100000729378 [0,2,0,0,0,0|1,1,0]=4 5362 B16R0.61 CCOC(=O)CCCCCOCCCCCI 34a_200012148887_100000755133 [0,2,0,0,0,0|1,1,0]=4 5363 B16R0.61 CCOC(=O)CCCCCOCCCCCI 7a_200012148887_100000755133 [0,2,0,0,0,0|1,1,0]=4 5364 B16R0.61 CCOC(=O)CCCCCOCCCCCN 34a_100000762737_100000755133 [0,2,0,0,0,0|2,0,0]=4 5365 B16R0.61 CCOC(=O)CCCCCOCCCCCO 7a_100011214988_100000746330 [0,2,0,0,0,0|2,0,0]=4 5366 B16R0.61 CCOC(=O)CCCCCOCCOCCBr 34a_100000692535_100000755133 [0,2,0,0,0,0|2,0,0]=4 5367 B16R0.61 CCOC(=O)CCCCCOCCOCCBr 7a_100000692535_100000755133 [0,2,0,0,0,0|2,0,0]=4 5368 B16R0.61 CCOC(=O)CCCCCSCCCCCF 62a_100000729378_100000755133 [0,2,0,0,0,0|1,1,0]=4 5369 B16R0.61 CCOC(=O)CCCCCSCCCCCF 62a_100000755133_100000729378 [0,2,0,0,0,0|1,1,0]=4 5370 B16R0.61 CCOC(=O)CCCCCSCCCCCO 62a_100000746330_100000755133 [0,2,0,0,0,0|2,0,0]=4 5371 B16R0.61 CCOC(=O)CCCCCSCCCCCO 62a_100000755133_100000746330 [0,2,0,0,0,0|2,0,0]=4 5372 B16R0.61 CCOC(=O)CCCCNCCCCCCO 2230a_100000686447_100000750268 [0,2,0,0,0,0|2,0,0]=4 5373 B16R0.61 CCOC(=O)CCCCNCCCCCCO 34a_100000686447_100000750268 [0,2,0,0,0,0|2,0,0]=4 5374 B16R0.61 CCOC(=O)CCCCOCCCCCCBr 34a_100011215345_100000750268 [0,2,0,0,0,0|1,0,0]=3 5375 B16R0.61 CCOC(=O)CCCCOCCCCCCBr 7a_100011215345_100000750268 [0,2,0,0,0,0|1,0,0]=3 5376 B16R0.61 CCOC(=O)CCCCOCCCCCCCl 34a_100000766143_100000750268 [0,2,0,0,0,0|1,1,0]=4 5377 B16R0.61 CCOC(=O)CCCCOCCCCCCCl 7a_100000766143_100000750268 [0,2,0,0,0,0|1,1,0]=4 5378 B16R0.61 CCOC(=O)CCCCOCCCCCCF 34a_100000732779_100000750268 [0,2,0,0,0,0|1,1,0]=4 5379 B16R0.61 CCOC(=O)CCCCOCCCCCCF 7a_100000732779_100000750268 [0,2,0,0,0,0|1,1,0]=4 5380 B16R0.61 CCOC(=O)CCCCOCCCCCCN 34a_100000686447_100000750268 [0,2,0,0,0,0|2,0,0]=4 5381 B16R0.61 CCOC(=O)CCCCSCCCCCCF 62a_100000750268_100015922095 [0,2,0,0,0,0|1,1,0]=4 5382 B16R0.61 CCOC(=O)CCCCSCCCCCCF 62a_100015922095_100000750268 [0,2,0,0,0,0|1,1,0]=4 5383 B16R0.61 CCOC(=O)CCCCSCCCCCCO 62a_100000750268_100000766143 [0,2,0,0,0,0|2,0,0]=4 5384 B16R0.61 CCOC(=O)CCCCSCCCCCCO 62a_100000766143_100000750268 [0,2,0,0,0,0|2,0,0]=4 5385 B16R0.61 CCOC(=O)CCCNCCCCCCCO 2230a_100011996573_100009991533 [0,2,0,0,0,0|2,0,0]=4 5386 B16R0.61 CCOC(=O)CCCNCCCCCCCO 34a_100011996573_100009991533 [0,2,0,0,0,0|2,0,0]=4 5387 B16R0.61 CCOC(=O)CCCOCCCCCCCBr 34a_100000760002_100009991533 [0,2,0,0,0,0|1,0,0]=3 5388 B16R0.61 CCOC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215271 [0,2,0,0,0,0|1,0,0]=3 5389 B16R0.61 CCOC(=O)CCCOCCCCCCCN 34a_100011996573_100009991533 [0,2,0,0,0,0|2,0,0]=4 5390 B16R0.61 CCOC(=O)CCCOCCCCCCCO 7a_100012001163_100000760002 [0,2,0,0,0,0|2,0,0]=4 5391 B16R0.61 CCOC(=O)CCCSCCCCCCCO 62a_100000760002_100009991533 [0,2,0,0,0,0|2,0,0]=4 5392 B16R0.61 CCOC(=O)CCCSCCCCCCCO 62a_100009991533_100000760002 [0,2,0,0,0,0|2,0,0]=4 5393 B16R0.61 CCOC(=O)CCNCCCCCCCCO 2230a_102515433106_100011206558 [0,2,0,0,0,0|2,0,0]=4 5394 B16R0.61 CCOC(=O)CCNCCCCCCCCO 34a_102515433106_100000765890 [0,2,0,0,0,0|2,0,0]=4 5395 B16R0.61 CCOC(=O)CCOCCCCCCCCBr 34a_100009813846_100000765890 [0,2,0,0,0,0|1,0,0]=3 5396 B16R0.61 CCOC(=O)CCOCCCCCCCCBr 7a_100009813846_100011206558 [0,2,0,0,0,0|1,0,0]=3 5397 B16R0.61 CCOC(=O)CCOCCCCCCCCCl 34a_100000033203_100000765890 [0,2,0,0,0,0|1,1,0]=4 5398 B16R0.61 CCOC(=O)CCOCCCCCCCCCl 7a_100000033203_100011206558 [0,2,0,0,0,0|1,1,0]=4 5399 B16R0.61 CCOC(=O)CCOCCCCCCCCN 34a_102515433106_100000765890 [0,2,0,0,0,0|2,0,0]=4 5400 B16R0.61 CCOC(=O)CCSCCCCCCCCO 62a_100000033203_100000765890 [0,2,0,0,0,0|2,0,0]=4 5401 B16R0.61 CCOC(=O)CCSCCCCCCCCO 62a_100000765890_100000033203 [0,2,0,0,0,0|2,0,0]=4 5402 B16R0.61 CCOC(=O)CNCCCCCCCCCO 2230a_100000078944_100000188475 [0,2,0,0,0,0|2,0,0]=4 5403 B16R0.61 CCOC(=O)CNCCCCCCCCCO 34a_100000078944_100000188475 [0,2,0,0,0,0|2,0,0]=4 5404 B16R0.61 CCOC(=O)COCCCCCCCCCBr 34a_100009813782_100000188475 [0,2,0,0,0,0|1,0,0]=3 5405 B16R0.61 CCOC(=O)COCCCCCCCCCBr 7a_100009813782_100000188475 [0,2,0,0,0,0|1,0,0]=3 5406 B16R0.61 CCOC(=O)COCCCCCCCCCCl 34a_100009868337_100000188475 [0,2,0,0,0,0|1,1,0]=4 5407 B16R0.61 CCOC(=O)COCCCCCCCCCCl 7a_100009868337_100000188475 [0,2,0,0,0,0|1,1,0]=4 5408 B16R0.61 CCOC(=O)COCCCCCCCCCN 34a_100000078944_100000188475 [0,2,0,0,0,0|2,0,0]=4 5409 B16R0.61 CCOC(=O)COCCCOCCCCCBr 34a_100000746331_100009893628 [0,2,0,0,0,0|2,0,0]=4 5410 B16R0.61 CCOC(=O)COCCCOCCCCCBr 7a_100000746331_100009893628 [0,2,0,0,0,0|2,0,0]=4 5411 B16R0.61 CCOC(=O)COCCOCCCCCCBr 34a_100011215345_100000088970 [0,2,0,0,0,0|2,0,0]=4 5412 B16R0.61 CCOC(=O)COCCOCCCCCCBr 7a_100011215345_100000088970 [0,2,0,0,0,0|2,0,0]=4 5413 B16R0.61 CCOC(=O)CSCCCCCCCCCO 62a_100000188475_100009813782 [0,2,0,0,0,0|2,0,0]=4 5414 B16R0.61 CCOC(=O)CSCCCCCCCCCO 62a_100009813782_100000188475 [0,2,0,0,0,0|2,0,0]=4 5415 B16R0.61 CCOC(=O)NCCOCCCCCCCBr 7a_100000760002_200011445536 [0,2,0,0,0,0|2,0,0]=4 5416 B16R0.61 CCOCCCCCCCCCC(=O)OCC 34a_100121572206_100009828014 [0,2,0,0,0,0|2,0,0]=4 5417 B16R0.61 CNNC(=O)CCCCCCCCCCCO 22a_100016993582_100000037981 [0,2,0,0,0,0|2,0,0]=4 5418 B16R0.61 COCC(=O)CCCCCCCCCCCO 1458a_100000210968_100009812471 [0,2,0,0,0,0|1,0,0]=3 5419 B16R0.61 COCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210968 [0,2,0,0,0,0|2,0,0]=4 5420 B16R0.61 CSCC(=O)CCCCCCCCCCCO 1458a_100000184570_100009812471 [0,2,0,0,0,0|1,1,0]=4 5421 B16R0.61 N#CCC(=O)CCCCCCCCCCCO 1458a_100051588842_100009812471 [0,2,0,0,0,0|2,0,0]=4 5422 B16R0.61 NCCCCCCCCCOCC(=O)NCO 34a_100000078944_100000185155 [0,2,0,0,0,0|2,0,0]=4 5423 B16R0.61 O=C(C=CBr)CCCCCCCCCCCO 1458a_100016273825_100009812471 [0,2,0,0,0,0|2,0,0]=4 5424 B16R0.61 O=C(C=CCl)CCCCCCCCCCCO 1458a_200016279998_100009812471 [0,2,0,0,0,0|2,0,0]=4 5425 B16R0.61 O=C(C=CI)CCCCCCCCCCCO 1458a_100016256311_100009812471 [0,2,0,0,0,0|2,0,0]=4 5426 B16R0.61 O=C(CCO)CCCCCCCCCCCO 1458a_100011216618_100009812471 [0,2,0,0,0,0|1,0,0]=3 5427 B16R0.61 O=C(CCO)NCCCCCCCCCCO 240690a_100000066964_100011216618 [0,2,0,0,0,0|2,0,0]=4 5428 B16R0.61 O=C(CNCCCCCCCCCO)NCO 2230a_100000078944_100000185155 [0,2,0,0,0,0|2,0,0]=4 5429 B16R0.61 O=C(CNCCCCCCCCCO)NCO 34a_100000078944_100000185155 [0,2,0,0,0,0|2,0,0]=4 5430 B16R0.61 O=C(COCCCCCCCCCBr)NCO 34a_100009813782_100000185155 [0,2,0,0,0,0|1,0,0]=3 5431 B16R0.61 O=C(COCCCCCCCCCBr)NCO 7a_100009813782_100000185155 [0,2,0,0,0,0|1,0,0]=3 5432 B16R0.61 O=C(COCCCCCCCCCCl)NCO 34a_100009868337_100000185155 [0,2,0,0,0,0|1,1,0]=4 5433 B16R0.61 O=C(COCCCCCCCCCCl)NCO 7a_100009868337_100000185155 [0,2,0,0,0,0|1,1,0]=4 5434 B16R0.61 O=C(CSCCCCCCCCCO)NCO 62a_100000185155_100009813782 [0,2,0,0,0,0|2,0,0]=4 5435 B16R0.61 O=C(CSCCCCCCCCCO)NCO 62a_100009813782_100000185155 [0,2,0,0,0,0|2,0,0]=4 5436 B16R0.70 C=C(COCCCCCCCCBr)C(=O)OC 34a_100009813846_100009813391 [0,2,0,0,0,0|1,0,1]=4 5437 B16R0.70 CCC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000742827 [0,2,0,0,0,0|2,0,0]=4 5438 B16R0.70 CCCCCCCCCCNC(C)C(=O)OC 2230a_100000684558_100000211248 [0,2,0,0,0,0|2,0,0]=4 5439 B16R0.70 CCCCCCCCCCNC(C)C(=O)OC 34a_100000684558_100000211248 [0,2,0,0,0,0|2,0,0]=4 5440 B16R0.70 CCCCCCCCCCOC(C)C(=O)OC 34a_100000210711_100000211248 [0,2,0,0,0,0|2,0,0]=4 5441 B16R0.70 CCCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210320 [0,2,0,0,0,0|2,0,0]=4 5442 B16R0.70 CCCCCCCCCCOC(C)C(=O)OC 7a_100000210711_100000211248 [0,2,0,0,0,0|2,0,0]=4 5443 B16R0.70 CCCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210320 [0,2,0,0,0,0|2,0,0]=4 5444 B16R0.70 CCCCCCCCCNCC(C)C(=O)OC 34a_100000212291_100000698445 [0,2,0,0,0,0|2,0,0]=4 5445 B16R0.70 CCCCCCCCCOCC(C)C(=O)OC 34a_100000210712_100000698445 [0,2,0,0,0,0|2,0,0]=4 5446 B16R0.70 CCCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100011214924 [0,2,0,0,0,0|2,0,0]=4 5447 B16R0.70 CCCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210328 [0,2,0,0,0,0|2,0,0]=4 5448 B16R0.70 CCCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100011214924 [0,2,0,0,0,0|2,0,0]=4 5449 B16R0.70 CCCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011214924 [0,2,0,0,0,0|2,0,0]=4 5450 B16R0.70 CCCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210670 [0,2,0,0,0,0|2,0,0]=4 5451 B16R0.70 CCCCCCCCNCCC(C)C(=O)OC 2230a_100000229939_100000034942 [0,2,0,0,0,0|2,0,0]=4 5452 B16R0.70 CCCCCCCCNCCC(C)C(=O)OC 34a_100000229939_100000034942 [0,2,0,0,0,0|2,0,0]=4 5453 B16R0.70 CCCCCCCCOCCC(C)C(=O)OC 34a_100000210232_100000034942 [0,2,0,0,0,0|2,0,0]=4 5454 B16R0.70 CCCCCCCCOCCC(C)C(=O)OC 7a_100000210232_100000034942 [0,2,0,0,0,0|2,0,0]=4 5455 B16R0.70 CCCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210317 [0,2,0,0,0,0|2,0,0]=4 5456 B16R0.70 CCCCCCCCSCCC(C)C(=O)OC 62a_100000210759_100000034942 [0,2,0,0,0,0|2,0,0]=4 5457 B16R0.70 CNC(=O)C(C)OCCCCCCCCCBr 34a_100009813782_100000731044 [0,2,0,0,0,0|2,0,0]=4 5458 B16R0.70 CNC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000209862 [0,2,0,0,0,0|2,0,0]=4 5459 B16R0.70 CNC(=O)C(F)OCCCCCCCCCBr 34a_100009813782_100009813575 [0,2,0,0,0,0|2,0,0]=4 5460 B16R0.70 CNC(=O)C(F)OCCCCCCCCCBr 7a_100009813782_100009813575 [0,2,0,0,0,0|2,0,0]=4 5461 B16R0.70 COC(=O)C(=O)COCCCCCCCCBr 34a_100009813846_100011610305 [0,2,0,0,0,0|1,0,1]=4 5462 B16R0.70 COC(=O)C(C)CCNCCCCCCCO 2230a_100011996573_100000034942 [0,2,0,0,0,0|2,0,0]=4 5463 B16R0.70 COC(=O)C(C)CCNCCCCCCCO 34a_100011996573_100000034942 [0,2,0,0,0,0|2,0,0]=4 5464 B16R0.70 COC(=O)C(C)CCOCCCCCCCBr 34a_100000760002_100000034942 [0,2,0,0,0,0|1,0,0]=3 5465 B16R0.70 COC(=O)C(C)CCOCCCCCCCBr 7a_100000760002_100000034942 [0,2,0,0,0,0|1,0,0]=3 5466 B16R0.70 COC(=O)C(C)CCOCCCCCCCN 34a_100011996573_100000034942 [0,2,0,0,0,0|2,0,0]=4 5467 B16R0.70 COC(=O)C(C)CCSCCCCCCCO 62a_100000034942_100000760002 [0,2,0,0,0,0|2,0,0]=4 5468 B16R0.70 COC(=O)C(C)CCSCCCCCCCO 62a_100000760002_100000034942 [0,2,0,0,0,0|2,0,0]=4 5469 B16R0.70 COC(=O)C(C)CNCCCCCCCCO 34a_102515433106_100000698445 [0,2,0,0,0,0|2,0,0]=4 5470 B16R0.70 COC(=O)C(C)COCCCCCCCCBr 34a_100009813846_100000698445 [0,2,0,0,0,0|1,0,0]=3 5471 B16R0.70 COC(=O)C(C)COCCCCCCCCCl 34a_100000033203_100000698445 [0,2,0,0,0,0|1,1,0]=4 5472 B16R0.70 COC(=O)C(C)COCCCCCCCCN 34a_102515433106_100000698445 [0,2,0,0,0,0|2,0,0]=4 5473 B16R0.70 COC(=O)C(C)COCCCCCCCCO 34a_100000749362_100000033203 [0,2,0,0,0,0|2,0,0]=4 5474 B16R0.70 COC(=O)C(C)COCCCCCCCCO 7a_100000749362_100000033203 [0,2,0,0,0,0|2,0,0]=4 5475 B16R0.70 COC(=O)C(C)CSCCCCCCCCO 62a_100000033203_100000698445 [0,2,0,0,0,0|2,0,0]=4 5476 B16R0.70 COC(=O)C(C)CSCCCCCCCCO 62a_100000698445_100000033203 [0,2,0,0,0,0|2,0,0]=4 5477 B16R0.70 COC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100000211248 [0,2,0,0,0,0|2,0,0]=4 5478 B16R0.70 COC(=O)C(C)NCCCCCCCCCO 34a_100000078944_100000211248 [0,2,0,0,0,0|2,0,0]=4 5479 B16R0.70 COC(=O)C(C)OCCCCCCCCCBr 34a_100009813782_100000211248 [0,2,0,0,0,0|1,0,0]=3 5480 B16R0.70 COC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000211248 [0,2,0,0,0,0|1,0,0]=3 5481 B16R0.70 COC(=O)C(C)OCCCCCCCCCCl 34a_100009868337_100000211248 [0,2,0,0,0,0|1,1,0]=4 5482 B16R0.70 COC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000211248 [0,2,0,0,0,0|1,1,0]=4 5483 B16R0.70 COC(=O)C(C)OCCCCCCCCCN 34a_100000078944_100000211248 [0,2,0,0,0,0|2,0,0]=4 5484 B16R0.70 COC(=O)C(C)OCCCCCCCCCO 34a_100011215400_100009813782 [0,2,0,0,0,0|2,0,0]=4 5485 B16R0.70 COC(=O)C(C)SCCCCCCCCCO 62a_100000211248_100009813782 [0,2,0,0,0,0|2,0,0]=4 5486 B16R0.70 COC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100000211248 [0,2,0,0,0,0|2,0,0]=4 5487 B16R0.70 COC(=O)C(F)COCCCCCCCCO 34a_200009849844_100000033203 [0,2,0,0,0,0|2,0,0]=4 5488 B16R0.70 COC(=O)[C@H](N)COCCCCCCCCO 34a_100000003586_100000033203 [0,2,0,0,0,0|2,0,0]=4 5489 B16R0.108 CCCCCCCC(=O)CCCCC(=O)OC 1458a_100000211969_100000204269 [0,2,0,0,0,0|1,0,1]=4 5490 B16R0.108 CCCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210614 [0,2,0,0,0,0|1,0,1]=4 5491 B16R0.108 CCCCCCCC(C)OCCCC(=O)OC 34a_200011215852_100000742333 [0,2,0,0,0,0|2,0,0]=4 5492 B16R0.108 CCCCCCCC(C)OCCCC(=O)OC 7a_200011215852_100011218270 [0,2,0,0,0,0|2,0,0]=4 5493 B16R0.108 CCCCCCCC(C)SCCCC(=O)OC 62a_100011218270_200011218727 [0,2,0,0,0,0|2,0,0]=4 5494 B16R0.108 CCCCCCCC(C)SCCCC(=O)OC 62a_200011218727_100011218270 [0,2,0,0,0,0|2,0,0]=4 5495 B16R0.108 CCCCCCCN(C)CCCCC(=O)OC 2230a_100000228206_100000204269 [0,2,0,0,0,0|2,0,0]=4 5496 B16R0.108 CCCCCCCN(C)CCCCC(=O)OC 269982a_100000228206_100000204269 [0,2,0,0,0,0|2,0,0]=4 5497 B16R0.108 COC(=O)CCCCC(=O)CCCCCCF 1458a_100000695723_100015922095 [0,2,0,0,0,0|0,1,1]=4 5498 B16R0.108 COC(=O)CCCCC(=O)CCCCCCO 1458a_100000695723_100000766143 [0,2,0,0,0,0|1,0,1]=4 5499 B16R0.108 COC(=O)CCCCC(=O)CCCCCCO 1458a_100011996774_100000204269 [0,2,0,0,0,0|1,0,1]=4 5500 B16R0.164 CCC(=O)CCCCCCCCCC(=O)OC 1458a_100000210414_100009813843 [0,2,0,0,0,0|1,0,1]=4 5501 B16R0.164 CCC(=O)CCCCCCCCCC(=O)OC 1458a_100009997464_100000210202 [0,2,0,0,0,0|1,0,1]=4 5502 B16R0.164 CCC(C)CCCCCOCCCC(=O)OC 7a_200000035636_100011218270 [0,2,0,0,0,0|2,0,0]=4 5503 B16R0.164 CCC(C)CCCOCCCCCC(=O)OC 7a_100011216074_100009816466 [0,2,0,0,0,0|2,0,0]=4 5504 B16R0.164 CCC(C)CCNCCCCCCC(=O)OC 2230a_100020591266_100009815986 [0,2,0,0,0,0|2,0,0]=4 5505 B16R0.164 CCC(C)CCOCCCCCCC(=O)OC 7a_100011215188_100009815986 [0,2,0,0,0,0|2,0,0]=4 5506 B16R0.164 CCC(C)CNCCCCCCCC(=O)OC 2230a_100020588543_100010004213 [0,2,0,0,0,0|2,0,0]=4 5507 B16R0.164 CCC(C)COCCCCCCCC(=O)OC 34a_100011022521_100000748023 [0,2,0,0,0,0|2,0,0]=4 5508 B16R0.164 CCC(C)COCCCCCCCC(=O)OC 7a_100011022521_100000748023 [0,2,0,0,0,0|2,0,0]=4 5509 B16R0.164 CCC(C)CSCCCCCCCC(=O)OC 62a_100000748023_100010004213 [0,2,0,0,0,0|2,0,0]=4 5510 B16R0.164 CCC(C)CSCCCCCCCC(=O)OC 62a_100010004213_100000748023 [0,2,0,0,0,0|2,0,0]=4 5511 B16R0.164 CCC(C)NCCCCCCCCC(=O)OC 2230a_100000209981_100010282707 [0,2,0,0,0,0|2,0,0]=4 5512 B16R0.164 CCC(C)OCCCCCCCCC(=O)OC 34a_100000035544_100011215416 [0,2,0,0,0,0|2,0,0]=4 5513 B16R0.164 CCC(C)OCCCCCCCCC(=O)OC 7a_100000035544_100000758301 [0,2,0,0,0,0|2,0,0]=4 5514 B16R0.164 CCC(C)OCCCCCCCCC(=O)OC 7a_100000210228_100010282707 [0,2,0,0,0,0|2,0,0]=4 5515 B16R0.164 CCC(C)SCCCCCCCCC(=O)OC 62a_100000758301_100010282707 [0,2,0,0,0,0|2,0,0]=4 5516 B16R0.164 CCC(C)SCCCCCCCCC(=O)OC 62a_100010282707_100000758301 [0,2,0,0,0,0|2,0,0]=4 5517 B16R0.164 CCC(O)CNCCCCCCCC(=O)OC 2230a_100011218483_100010004213 [0,2,0,0,0,0|2,0,0]=4 5518 B16R0.164 CCC(O)COCCCCCCCC(=O)OC 34a_100011022521_100011218378 [0,2,0,0,0,0|2,0,0]=4 5519 B16R0.164 CCC(O)COCCCCCCCC(=O)OC 7a_100011022521_100011218378 [0,2,0,0,0,0|2,0,0]=4 5520 B16R0.164 CCC(O)CSCCCCCCCC(=O)OC 62a_100010004213_100011218378 [0,2,0,0,0,0|2,0,0]=4 5521 B16R0.164 CCC(O)CSCCCCCCCC(=O)OC 62a_100011218378_100010004213 [0,2,0,0,0,0|2,0,0]=4 5522 B16R0.164 CCN(C)CCCCCCCCCC(=O)OC 2230a_100000225621_100009813843 [0,2,0,0,0,0|2,0,0]=4 5523 B16R0.164 CCN(C)CCCCCCCCCC(=O)OC 269982a_100000225621_100009813843 [0,2,0,0,0,0|2,0,0]=4 5524 B16R0.164 CC[C@H](C)COCCCCCCCC(=O)OC 34a_100011022521_100009816398 [0,2,0,0,0,0|2,0,0]=4 5525 B16R0.164 CC[C@H](C)COCCCCCCCC(=O)OC 7a_100009816381_100010004213 [0,2,0,0,0,0|2,0,0]=4 5526 B16R0.164 CC[C@H](C)COCCCCCCCC(=O)OC 7a_100011022521_100009816398 [0,2,0,0,0,0|2,0,0]=4 5527 B16R0.164 CC[C@H](C)CSCCCCCCCC(=O)OC 62a_100009816398_100010004213 [0,2,0,0,0,0|2,0,0]=4 5528 B16R0.164 CC[C@H](C)CSCCCCCCCC(=O)OC 62a_100010004213_100009816398 [0,2,0,0,0,0|2,0,0]=4 5529 B16R0.164 COC(=O)CCCCCCCCCC(=O)CF 1458a_100009997464_100015361967 [0,2,0,0,0,0|0,1,1]=4 5530 B16R0.164 COC(=O)CCCCCCCCCC(=O)CO 1458a_100000210174_100009813843 [0,2,0,0,0,0|1,0,1]=4 5531 B16R0.164 COC(=O)CCCCCCCCN[C@H](C)CO 2230a_100000737577_100010282707 [0,2,0,0,0,0|2,0,0]=4 5532 B16R0.164 COC(=O)CCCCCCCCOC(C)CF 34a_100016041109_100010282707 [0,2,0,0,0,0|1,1,0]=4 5533 B16R0.164 COC(=O)CCCCCCCCOC(C)CF 7a_100016041109_100010282707 [0,2,0,0,0,0|1,1,0]=4 5534 B16R0.164 COC(=O)CCCCCCCCOC(C)CN 34a_100000210904_100010282707 [0,2,0,0,0,0|2,0,0]=4 5535 B16R0.164 COC(=O)CCCCCCCCOC(C)CO 34a_100000035544_100012180447 [0,2,0,0,0,0|2,0,0]=4 5536 B16R0.164 COC(=O)CCCCCCCCOC(C)CO 7a_100000035544_100012180447 [0,2,0,0,0,0|2,0,0]=4 5537 B16R0.164 COC(=O)CCCCCCCCSC(C)CO 62a_100012180447_100010282707 [0,2,0,0,0,0|2,0,0]=4 5538 B16R0.164 COC(=O)CCCCCCCCS[C@H](C)CO 62a_100010282707_100016084084 [0,2,0,0,0,0|2,0,0]=4 5539 B16R0.164 COC(=O)CCCCCCCCS[C@H](C)CO 62a_100016084084_100010282707 [0,2,0,0,0,0|2,0,0]=4 5540 B16R0.164 COC(=O)CCCCCCCNCC(C)CO 34a_100000744482_100010004213 [0,2,0,0,0,0|2,0,0]=4 5541 B16R0.164 COC(=O)CCCCCCCNC[C@@H](F)CO 34a_100015665980_100010004213 [0,2,0,0,0,0|2,0,0]=4 5542 B16R0.164 COC(=O)CCCCCCCNC[C@H](O)CO 2230a_100020644852_100010004213 [0,2,0,0,0,0|2,0,0]=4 5543 B16R0.164 COC(=O)CCCCCCCOCC(C)CN 34a_100000744482_100010004213 [0,2,0,0,0,0|2,0,0]=4 5544 B16R0.164 COC(=O)CCCCCCCOCC(Cl)CCl 34a_100000033668_100010004213 [0,2,0,0,0,0|1,1,0]=4 5545 B16R0.164 COC(=O)CCCCCCCOCC(O)CO 34a_100011022521_100011219619 [0,2,0,0,0,0|2,0,0]=4 5546 B16R0.164 COC(=O)CCCCCCCOCC(O)CO 7a_100011022521_100011219619 [0,2,0,0,0,0|2,0,0]=4 5547 B16R0.164 COC(=O)CCCCCCCOC[C@@H](C)CO 34a_100011022521_100000059175 [0,2,0,0,0,0|2,0,0]=4 5548 B16R0.164 COC(=O)CCCCCCCOC[C@@H](C)CO 7a_100011022521_100000059175 [0,2,0,0,0,0|2,0,0]=4 5549 B16R0.164 COC(=O)CCCCCCCOC[C@@H](O)CF 34a_100011022521_100015614560 [0,2,0,0,0,0|1,1,0]=4 5550 B16R0.164 COC(=O)CCCCCCCOC[C@@H](O)CF 7a_100011022521_100015614560 [0,2,0,0,0,0|1,1,0]=4 5551 B16R0.164 COC(=O)CCCCCCCOC[C@@H](O)CO 34a_100011022521_100009815848 [0,2,0,0,0,0|2,0,0]=4 5552 B16R0.164 COC(=O)CCCCCCCOC[C@@H](O)CO 7a_100011022521_100009815848 [0,2,0,0,0,0|2,0,0]=4 5553 B16R0.164 COC(=O)CCCCCCCOC[C@H](F)CN 34a_100015665980_100010004213 [0,2,0,0,0,0|2,0,0]=4 5554 B16R0.164 COC(=O)CCCCCCCSCC(O)CO 62a_100010004213_100011219619 [0,2,0,0,0,0|2,0,0]=4 5555 B16R0.164 COC(=O)CCCCCCCSCC(O)CO 62a_100011219619_100010004213 [0,2,0,0,0,0|2,0,0]=4 5556 B16R0.164 COC(=O)CCCCCCCSC[C@@H](C)CO 62a_100000059175_100010004213 [0,2,0,0,0,0|2,0,0]=4 5557 B16R0.164 COC(=O)CCCCCCCSC[C@@H](C)CO 62a_100010004213_100000059175 [0,2,0,0,0,0|2,0,0]=4 5558 B16R0.164 COC(=O)CCCCCCCSC[C@@H](O)CF 62a_100010004213_100015614560 [0,2,0,0,0,0|1,1,0]=4 5559 B16R0.164 COC(=O)CCCCCCCSC[C@@H](O)CF 62a_100015614560_100010004213 [0,2,0,0,0,0|1,1,0]=4 5560 B16R0.164 COC(=O)CCCCCCCSC[C@@H](O)CO 62a_100009815848_100010004213 [0,2,0,0,0,0|2,0,0]=4 5561 B16R0.164 COC(=O)CCCCCCCSC[C@@H](O)CO 62a_100010004213_100009815848 [0,2,0,0,0,0|2,0,0]=4 5562 B16R0.164 COC(=O)CCCCCCNCCC(C)CO 2230a_106354213184_100009815986 [0,2,0,0,0,0|2,0,0]=4 5563 B16R0.164 COC(=O)CCCCCCNCCC(C)CO 34a_106354213184_100009815986 [0,2,0,0,0,0|2,0,0]=4 5564 B16R0.164 COC(=O)CCCCCOCCC[C@@H](C)CN 34a_100160569302_100009816466 [0,2,0,0,0,0|2,0,0]=4 5565 B16R0.165 C=C(Br)CCOCCCCCCCC(=O)OC 34a_100009813270_100010004213 [0,2,0,0,0,0|1,0,1]=4 5566 B16R0.165 CCC(=O)CCCCCCCCCCC(=O)N 1458a_100000210414_200010167045 [0,2,0,0,0,0|2,0,0]=4 5567 B16R0.165 CCC(C)CCCCCOCCCCC(=O)C 7a_200000035636_100000735457 [0,2,0,0,0,0|2,0,0]=4 5568 B16R0.165 CCN(C)CCCCCCCCCCC(=O)N 2230a_100000225621_200010167045 [0,2,0,0,0,0|2,0,0]=4 5569 B16R0.165 CCN(C)CCCCCCCCCCC(=O)N 269982a_100000225621_200010167045 [0,2,0,0,0,0|2,0,0]=4 5570 B16R0.165 COC(=O)CCCCCCCCCCC(=O)C 1458a_100000070787_100009812566 [0,2,0,0,0,0|1,0,1]=4 5571 B16R0.165 COC(=O)CCCCCCCCCCC(=O)C 1458a_100016987261_200000210301 [0,2,0,0,0,0|1,0,1]=4 5572 B16R0.165 COC(=O)CCCCCCCCCCC(=O)[13CH3] 1458a_100016987261_200025704644 [0,2,0,0,0,0|1,0,1]=4 5573 B16R0.165 COC(=O)CCCCCCCCCCN(C)C 2230a_100102631434_100009812566 [0,2,0,0,0,0|2,0,0]=4 5574 B16R0.165 COC(=O)CCCCCCCCCCN(C)C 269982a_100102631434_100009812566 [0,2,0,0,0,0|2,0,0]=4 5575 B16R0.165 COC(=O)CCCCCCCCCNC(C)C 2230a_100138425928_100009813843 [0,2,0,0,0,0|2,0,0]=4 5576 B16R0.165 COC(=O)CCCCCCCCCNC(C)C 34a_100138425928_100009813843 [0,2,0,0,0,0|2,0,0]=4 5577 B16R0.165 COC(=O)CCCCCCCCCOC(C)C 34a_100000212225_100009813843 [0,2,0,0,0,0|2,0,0]=4 5578 B16R0.165 COC(=O)CCCCCCCCCSC(C)C 62a_100000210206_100009813843 [0,2,0,0,0,0|2,0,0]=4 5579 B16R0.165 COC(=O)CCCCCCCCNCC(C)C 2230a_100000210953_100010282707 [0,2,0,0,0,0|2,0,0]=4 5580 B16R0.165 COC(=O)CCCCCCCCNCC(C)C 34a_100000210953_100010282707 [0,2,0,0,0,0|2,0,0]=4 5581 B16R0.165 COC(=O)CCCCCCCCNCC(C)O 2230a_100000210904_100010282707 [0,2,0,0,0,0|2,0,0]=4 5582 B16R0.165 COC(=O)CCCCCCCCNCC(C)O 34a_100000210904_100010282707 [0,2,0,0,0,0|2,0,0]=4 5583 B16R0.165 COC(=O)CCCCCCCCNCC(F)F 34a_100000765723_100010282707 [0,2,0,0,0,0|1,1,0]=4 5584 B16R0.165 COC(=O)CCCCCCCCOCC(C)Br 34a_100012180447_100010282707 [0,2,0,0,0,0|1,0,0]=3 5585 B16R0.165 COC(=O)CCCCCCCCOCC(C)C 34a_100000035544_100000210624 [0,2,0,0,0,0|2,0,0]=4 5586 B16R0.165 COC(=O)CCCCCCCCOCC(C)C 34a_100000210257_100010282707 [0,2,0,0,0,0|2,0,0]=4 5587 B16R0.165 COC(=O)CCCCCCCCOCC(C)C 7a_100000035544_100000210760 [0,2,0,0,0,0|2,0,0]=4 5588 B16R0.165 COC(=O)CCCCCCCCOCC(C)F 34a_100015925927_100010282707 [0,2,0,0,0,0|1,1,0]=4 5589 B16R0.165 COC(=O)CCCCCCCCOCC(C)O 34a_100000035544_100011218427 [0,2,0,0,0,0|2,0,0]=4 5590 B16R0.165 COC(=O)CCCCCCCCOCC(C)O 7a_100000035544_100011218427 [0,2,0,0,0,0|2,0,0]=4 5591 B16R0.165 COC(=O)CCCCCCCCOCC(F)F 34a_100000035544_100011934356 [0,2,0,0,0,0|1,1,0]=4 5592 B16R0.165 COC(=O)CCCCCCCCOCC(F)F 34a_100000743014_100010282707 [0,2,0,0,0,0|1,1,0]=4 5593 B16R0.165 COC(=O)CCCCCCCCOCC(F)F 7a_100000035544_100011934356 [0,2,0,0,0,0|1,1,0]=4 5594 B16R0.165 COC(=O)CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100010282707 [0,2,0,0,0,0|1,1,0]=4 5595 B16R0.165 COC(=O)CCCCCCCCOC[C@@H](C)N 34a_100000737577_100010282707 [0,2,0,0,0,0|2,0,0]=4 5596 B16R0.165 COC(=O)CCCCCCCCOC[C@@H](C)O 34a_100000035544_100009817552 [0,2,0,0,0,0|2,0,0]=4 5597 B16R0.165 COC(=O)CCCCCCCCOC[C@@H](C)O 7a_100000035544_100009817552 [0,2,0,0,0,0|2,0,0]=4 5598 B16R0.165 COC(=O)CCCCCCCCSCC(C)C 62a_100000210624_100010282707 [0,2,0,0,0,0|2,0,0]=4 5599 B16R0.165 COC(=O)CCCCCCCCSCC(C)C 62a_100010282707_100000210760 [0,2,0,0,0,0|2,0,0]=4 5600 B16R0.165 COC(=O)CCCCCCCCSCC(C)O 62a_100010282707_100011218427 [0,2,0,0,0,0|2,0,0]=4 5601 B16R0.165 COC(=O)CCCCCCCCSCC(C)O 62a_100011218427_100010282707 [0,2,0,0,0,0|2,0,0]=4 5602 B16R0.165 COC(=O)CCCCCCCCSCC(F)F 62a_100010282707_100011934356 [0,2,0,0,0,0|1,1,0]=4 5603 B16R0.165 COC(=O)CCCCCCCCSCC(F)F 62a_100011934356_100010282707 [0,2,0,0,0,0|1,1,0]=4 5604 B16R0.165 COC(=O)CCCCCCCCSC[C@@H](C)O 62a_100009817552_100010282707 [0,2,0,0,0,0|2,0,0]=4 5605 B16R0.165 COC(=O)CCCCCCCCSC[C@@H](C)O 62a_100010282707_100009817552 [0,2,0,0,0,0|2,0,0]=4 5606 B16R0.165 COC(=O)CCCCCCCNCCC(C)O 2230a_200000755665_100010004213 [0,2,0,0,0,0|2,0,0]=4 5607 B16R0.165 COC(=O)CCCCCCCOCCC(C)Br 34a_100009893172_100010004213 [0,2,0,0,0,0|1,0,0]=3 5608 B16R0.165 COC(=O)CCCCCCCOCCC(C)C 34a_100000210254_100010004213 [0,2,0,0,0,0|2,0,0]=4 5609 B16R0.165 COC(=O)CCCCCCCOCCC(C)C 34a_100011022521_100000210312 [0,2,0,0,0,0|2,0,0]=4 5610 B16R0.165 COC(=O)CCCCCCCOCCC(C)C 7a_100000210254_100010004213 [0,2,0,0,0,0|2,0,0]=4 5611 B16R0.165 COC(=O)CCCCCCCOCCC(C)C 7a_100011022521_100000210626 [0,2,0,0,0,0|2,0,0]=4 5612 B16R0.165 COC(=O)CCCCCCCOCCC(C)O 34a_100011022521_100012276601 [0,2,0,0,0,0|2,0,0]=4 5613 B16R0.165 COC(=O)CCCCCCCOCCC(C)O 7a_100011022521_100012276601 [0,2,0,0,0,0|2,0,0]=4 5614 B16R0.165 COC(=O)CCCCCCCOCCC(F)F 34a_100103093639_100010004213 [0,2,0,0,0,0|1,1,0]=4 5615 B16R0.165 COC(=O)CCCCCCCOCC[C@@H](C)N 34a_100000706166_100010004213 [0,2,0,0,0,0|2,0,0]=4 5616 B16R0.165 COC(=O)CCCCCCCSCCC(C)C 62a_100000210312_100010004213 [0,2,0,0,0,0|2,0,0]=4 5617 B16R0.165 COC(=O)CCCCCCCSCCC(C)C 62a_100010004213_100000210312 [0,2,0,0,0,0|2,0,0]=4 5618 B16R0.165 COC(=O)CCCCCCCSCCC(C)O 62a_100010004213_100012276601 [0,2,0,0,0,0|2,0,0]=4 5619 B16R0.165 COC(=O)CCCCCCCSCCC(C)O 62a_100012276601_100010004213 [0,2,0,0,0,0|2,0,0]=4 5620 B16R0.165 COC(=O)CCCCCCNCCCC(C)C 2230a_200000737386_100009815986 [0,2,0,0,0,0|2,0,0]=4 5621 B16R0.165 COC(=O)CCCCCCNCCCC(C)C 34a_200000737386_100009815986 [0,2,0,0,0,0|2,0,0]=4 5622 B16R0.165 COC(=O)CCCCCCOCCCC(C)C 34a_100000210774_100009815986 [0,2,0,0,0,0|2,0,0]=4 5623 B16R0.165 COC(=O)CCCCCCOCCCC(C)C 34a_100009863599_100011214892 [0,2,0,0,0,0|2,0,0]=4 5624 B16R0.165 COC(=O)CCCCCCOCCCC(C)C 7a_100000210774_100009815986 [0,2,0,0,0,0|2,0,0]=4 5625 B16R0.165 COC(=O)CCCCCCOCCCC(C)C 7a_100009863599_100011214892 [0,2,0,0,0,0|2,0,0]=4 5626 B16R0.165 COC(=O)CCCCCCOCCCC(C)O 34a_100009863599_200000718107 [0,2,0,0,0,0|2,0,0]=4 5627 B16R0.165 COC(=O)CCCCCCOCCCC(C)O 7a_100009863599_200000718107 [0,2,0,0,0,0|2,0,0]=4 5628 B16R0.165 COC(=O)CCCCCCSCCCC(C)C 62a_100009815986_100011214892 [0,2,0,0,0,0|2,0,0]=4 5629 B16R0.165 COC(=O)CCCCCCSCCCC(C)C 62a_100011214892_100009815986 [0,2,0,0,0,0|2,0,0]=4 5630 B16R0.165 COC(=O)CCCCCCSCCCC(C)O 62a_100009815986_200000718107 [0,2,0,0,0,0|2,0,0]=4 5631 B16R0.165 COC(=O)CCCCCCSCCCC(C)O 62a_200000718107_100009815986 [0,2,0,0,0,0|2,0,0]=4 5632 B16R0.165 COC(=O)CCCCCOCCCCC(C)C 34a_100000074720_100011216152 [0,2,0,0,0,0|2,0,0]=4 5633 B16R0.165 COC(=O)CCCCCOCCCCC(C)C 34a_100011214890_100009816466 [0,2,0,0,0,0|2,0,0]=4 5634 B16R0.165 COC(=O)CCCCCOCCCCC(C)C 7a_100000074720_100011216152 [0,2,0,0,0,0|2,0,0]=4 5635 B16R0.165 COC(=O)CCCCCOCCCCC(C)C 7a_100011214890_100009816466 [0,2,0,0,0,0|2,0,0]=4 5636 B16R0.165 COC(=O)CCCCCSCCCCC(C)C 62a_100009816466_100011216152 [0,2,0,0,0,0|2,0,0]=4 5637 B16R0.165 COC(=O)CCCCCSCCCCC(C)C 62a_100011216152_100009816466 [0,2,0,0,0,0|2,0,0]=4 5638 B16R0.165 COC(=O)CCCCNCCCCCC(C)C 2230a_100011290863_100000204269 [0,2,0,0,0,0|2,0,0]=4 5639 B16R0.165 COC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100000204269 [0,2,0,0,0,0|2,0,0]=4 5640 B16R0.165 COC(=O)CCCCOCCCCCC(C)C 34a_100000059025_100000210682 [0,2,0,0,0,0|2,0,0]=4 5641 B16R0.165 COC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100000204269 [0,2,0,0,0,0|2,0,0]=4 5642 B16R0.165 COC(=O)CCCCOCCCCCC(C)C 7a_100000059025_100000210682 [0,2,0,0,0,0|2,0,0]=4 5643 B16R0.165 COC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000204269 [0,2,0,0,0,0|2,0,0]=4 5644 B16R0.165 COC(=O)CCCCSCCCCCC(C)C 62a_100000204269_100000210682 [0,2,0,0,0,0|2,0,0]=4 5645 B16R0.165 COC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000204269 [0,2,0,0,0,0|2,0,0]=4 5646 B16R0.165 COC(=O)CCCNCCCCCCC(C)C 2230a_100000211014_100011218270 [0,2,0,0,0,0|2,0,0]=4 5647 B16R0.165 COC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000742333 [0,2,0,0,0,0|2,0,0]=4 5648 B16R0.165 COC(=O)CCOCCCCCCCC(C)C 34a_200000210741_100000742370 [0,2,0,0,0,0|2,0,0]=4 5649 B16R0.165 COC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000204255 [0,2,0,0,0,0|2,0,0]=4 5650 B16R0.165 NC(=O)CCCCCCCCCCC(=O)CO 1458a_100000210174_200010167045 [0,2,0,0,0,0|1,0,1]=4 5651 B16R0.184 CCCCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210757 [0,2,0,0,0,0|1,0,1]=4 5652 B16R0.184 CCCCCCC(=O)CCCCCC(=O)OC 1458a_100102632555_100009816466 [0,2,0,0,0,0|1,0,1]=4 5653 B16R0.184 CCCCCCC(C)CCOCCC(=O)OC 34a_200011024964_100000742370 [0,2,0,0,0,0|2,0,0]=4 5654 B16R0.184 CCCCCCC(C)CCOCCC(=O)OC 7a_200011024964_100000204255 [0,2,0,0,0,0|2,0,0]=4 5655 B16R0.184 CCCCCCC(C)NCCCCC(=O)OC 2230a_100000210919_100000204269 [0,2,0,0,0,0|2,0,0]=4 5656 B16R0.184 CCCCCCC(C)NCCCCC(=O)OC 34a_100000210919_100000204269 [0,2,0,0,0,0|2,0,0]=4 5657 B16R0.184 CCCCCCC(C)OCCCCC(=O)OC 34a_100000059025_100011215978 [0,2,0,0,0,0|2,0,0]=4 5658 B16R0.184 CCCCCCC(C)OCCCCC(=O)OC 34a_100000210265_100000204269 [0,2,0,0,0,0|2,0,0]=4 5659 B16R0.184 CCCCCCC(C)OCCCCC(=O)OC 7a_100000059025_100011215978 [0,2,0,0,0,0|2,0,0]=4 5660 B16R0.184 CCCCCCC(C)OCCCCC(=O)OC 7a_100000210265_100000204269 [0,2,0,0,0,0|2,0,0]=4 5661 B16R0.184 CCCCCCC(C)SCCCCC(=O)OC 62a_100000204269_100011215978 [0,2,0,0,0,0|2,0,0]=4 5662 B16R0.184 CCCCCCC(C)SCCCCC(=O)OC 62a_100011215978_100000204269 [0,2,0,0,0,0|2,0,0]=4 5663 B16R0.184 CCCCCCN(C)CCCCCC(=O)OC 2230a_106256046315_100009816466 [0,2,0,0,0,0|2,0,0]=4 5664 B16R0.184 CCCCCCN(C)CCCCCC(=O)OC 269982a_106256046315_100009816466 [0,2,0,0,0,0|2,0,0]=4 5665 B16R0.184 COC(=O)CCCCCC(=O)CCCCCF 1458a_100009848860_100000729378 [0,2,0,0,0,0|0,1,1]=4 5666 B16R0.184 COC(=O)CCCCCC(=O)CCCCCO 1458a_100009848860_100000746330 [0,2,0,0,0,0|1,0,1]=4 5667 B16R0.184 COC(=O)CCCCCC(=O)CCCCCO 1458a_100102619762_100009816466 [0,2,0,0,0,0|1,0,1]=4 5668 B16R0.184 COC(=O)CCCCCN(C)CCCCCO 2230a_100000722520_100009816466 [0,2,0,0,0,0|2,0,0]=4 5669 B16R0.184 COC(=O)CCCCCN(C)CCCCCO 269982a_100000722520_100009816466 [0,2,0,0,0,0|2,0,0]=4 5670 B16R0.221 C#CC(=O)CCCCCCCCCCCC=C 1458a_100000211873_102130925996 [0,2,0,0,0,0|2,0,0]=4 5671 B16R0.221 C#CC(=O)CCCCCCCCCCCCC 1458a_100000211873_100000210684 [0,2,0,0,0,0|2,0,0]=4 5672 B16R0.221 C#CC(=O)CCCCCCCCCCCCO 1458a_100000211873_100009813331 [0,2,0,0,0,0|2,0,0]=4 5673 B16R0.221 C#CC(=O)CCCCCCOCCCCCO 1458a_100000211873_200132310570 [0,2,0,0,0,0|2,0,0]=4 5674 B16R0.221 C#CC(O)CCCCCOCCCCCCBr 34a_100011215345_200010408556 [0,2,0,0,0,0|1,0,1]=4 5675 B16R0.221 C#CC(O)CCCCCOCCCCCCBr 7a_100011215345_200010408556 [0,2,0,0,0,0|1,0,1]=4 5676 B16R0.221 C#CCCCCCCCCCOCC(=O)OC 34a_100000034437_100000747449 [0,2,0,0,0,0|1,0,1]=4 5677 B16R0.221 C#CCCCCCCCCCOCC(=O)OC 7a_100000034437_100000747449 [0,2,0,0,0,0|1,0,1]=4 5678 B16R0.221 C#CCCCCCCCCOCCC(=O)OC 34a_100000065265_100000742370 [0,2,0,0,0,0|1,0,1]=4 5679 B16R0.221 C#CCCCCCCCCOCCC(=O)OC 7a_100000065265_100000204255 [0,2,0,0,0,0|1,0,1]=4 5680 B16R0.221 C#CCCCCCCCOCCCC(=O)OC 34a_100000054614_100000742333 [0,2,0,0,0,0|1,0,1]=4 5681 B16R0.221 C#CCCCCCCCOCCCC(=O)OC 7a_100000054614_100011218270 [0,2,0,0,0,0|1,0,1]=4 5682 B16R0.221 C#CCCCCCCCSCCCC(=O)OC 62a_100011218270_100153394163 [0,2,0,0,0,0|1,0,1]=4 5683 B16R0.221 C#CCCCCCCCSCCCC(=O)OC 62a_100153394163_100011218270 [0,2,0,0,0,0|1,0,1]=4 5684 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 34a_100000059025_100012276617 [0,2,0,0,0,0|1,0,1]=4 5685 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 34a_100011217361_100000204269 [0,2,0,0,0,0|1,0,1]=4 5686 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 7a_100000059025_100012276617 [0,2,0,0,0,0|1,0,1]=4 5687 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 7a_100011217361_100000204269 [0,2,0,0,0,0|1,0,1]=4 5688 B16R0.221 C#CCCCCCCSCCCCC(=O)OC 62a_100000204269_100012276617 [0,2,0,0,0,0|1,0,1]=4 5689 B16R0.221 C#CCCCCCCSCCCCC(=O)OC 62a_100012276617_100000204269 [0,2,0,0,0,0|1,0,1]=4 5690 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 34a_100000074720_100012094781 [0,2,0,0,0,0|1,0,1]=4 5691 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 34a_100000766912_100009816466 [0,2,0,0,0,0|1,0,1]=4 5692 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 7a_100000074720_100012094781 [0,2,0,0,0,0|1,0,1]=4 5693 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 7a_100000766912_100009816466 [0,2,0,0,0,0|1,0,1]=4 5694 B16R0.221 C#CCCCCCSCCCCCC(=O)OC 62a_100009816466_100012094781 [0,2,0,0,0,0|1,0,1]=4 5695 B16R0.221 C#CCCCCCSCCCCCC(=O)OC 62a_100012094781_100009816466 [0,2,0,0,0,0|1,0,1]=4 5696 B16R0.221 C#CCCCCNCCCCCCC(=O)OC 2230a_100000706060_100009815986 [0,2,0,0,0,0|1,0,1]=4 5697 B16R0.221 C#CCCCCNCCCCCCC(=O)OC 34a_100000706060_100009815986 [0,2,0,0,0,0|1,0,1]=4 5698 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 34a_100000766709_100009815986 [0,2,0,0,0,0|1,0,1]=4 5699 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 34a_100009863599_100010269958 [0,2,0,0,0,0|1,0,1]=4 5700 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 7a_100000766709_100009815986 [0,2,0,0,0,0|1,0,1]=4 5701 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 7a_100009863599_100010269958 [0,2,0,0,0,0|1,0,1]=4 5702 B16R0.221 C#CCCCCSCCCCCCC(=O)OC 62a_100009815986_100010269958 [0,2,0,0,0,0|1,0,1]=4 5703 B16R0.221 C#CCCCCSCCCCCCC(=O)OC 62a_100010269958_100009815986 [0,2,0,0,0,0|1,0,1]=4 5704 B16R0.221 C#CCCCNCCCCCCCC(=O)OC 34a_100000718082_100010004213 [0,2,0,0,0,0|1,0,1]=4 5705 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 34a_100000215630_100010004213 [0,2,0,0,0,0|1,0,1]=4 5706 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000695029 [0,2,0,0,0,0|1,0,1]=4 5707 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 7a_100000215630_100010004213 [0,2,0,0,0,0|1,0,1]=4 5708 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 7a_100011022521_100011215417 [0,2,0,0,0,0|1,0,1]=4 5709 B16R0.221 C#CCCCSCCCCCCCC(=O)OC 62a_100010004213_100011215417 [0,2,0,0,0,0|1,0,1]=4 5710 B16R0.221 C#CCCCSCCCCCCCC(=O)OC 62a_100011215417_100010004213 [0,2,0,0,0,0|1,0,1]=4 5711 B16R0.221 C#CCCNCCCCCCCCC(=O)OC 34a_100000755551_100010282707 [0,2,0,0,0,0|1,0,1]=4 5712 B16R0.221 C#CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000688953 [0,2,0,0,0,0|1,0,1]=4 5713 B16R0.221 C#CCCOCCCCCCCCC(=O)OC 34a_100011215631_100010282707 [0,2,0,0,0,0|1,0,1]=4 5714 B16R0.221 C#CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000688953 [0,2,0,0,0,0|1,0,1]=4 5715 B16R0.221 C#CCCSCCCCCCCCC(=O)OC 62a_100000688953_100010282707 [0,2,0,0,0,0|1,0,1]=4 5716 B16R0.221 C#CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000688953 [0,2,0,0,0,0|1,0,1]=4 5717 B16R0.221 C#CCNCCCCCCCCCC(=O)OC 34a_100000212058_100009813843 [0,2,0,0,0,0|1,0,1]=4 5718 B16R0.221 C#CCOCCCCCCCCCC(=O)OC 34a_100000210247_100009813843 [0,2,0,0,0,0|1,0,1]=4 5719 B16R0.221 C#CCSCCCCCCCCCC(=O)OC 62a_100000038162_100009813843 [0,2,0,0,0,0|1,0,1]=4 5720 B16R0.221 C=C(C#N)COCCCCCCCCCCBr 34a_100009813290_100000694840 [0,2,0,0,0,0|2,0,0]=4 5721 B16R0.221 C=CC(=O)CCCCCCCCCCCCO 1458a_100000185746_100009813331 [0,2,0,0,0,0|2,0,0]=4 5722 B16R0.221 C=CC(=O)CCCCCCOCCCCCO 1458a_100000185746_200132310570 [0,2,0,0,0,0|2,0,0]=4 5723 B16R0.221 C=CC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000185746 [0,2,0,0,0,0|2,0,0]=4 5724 B16R0.221 C=CC(=O)NCCCCCCCCCCCC 240690a_100000210451_200121576911 [0,2,0,0,0,0|2,0,0]=4 5725 B16R0.221 C=CC(=O)OCCCCCCOCCCCBr 34a_100011216708_100009894100 [0,2,0,0,0,0|2,0,0]=4 5726 B16R0.221 C=CC(=O)OCCOCCCCCCCCBr 34a_100009813846_100009813456 [0,2,0,0,0,0|2,0,0]=4 5727 B16R0.221 C=CC(=O)OCCOCCCCCCCCBr 7a_100009813846_100009813456 [0,2,0,0,0,0|2,0,0]=4 5728 B16R0.221 C=CC(O)COCCCCCCCCCCBr 34a_100009813290_100000730141 [0,2,0,0,0,0|1,0,1]=4 5729 B16R0.221 C=CC(O)COCCCCCCCCCCBr 7a_100009813290_100000730141 [0,2,0,0,0,0|1,0,1]=4 5730 B16R0.221 C=CCCCCCCCCCCCC(=O)CO 1458a_100000210174_102130925996 [0,2,0,0,0,0|1,0,0]=3 5731 B16R0.221 C=CCCCCCCCCCNCC(=O)OC 2230a_100000081888_100000747449 [0,2,0,0,0,0|1,0,1]=4 5732 B16R0.221 C=CCCCCCCCCCNCC(=O)OC 34a_100000081888_100000747449 [0,2,0,0,0,0|1,0,1]=4 5733 B16R0.221 C=CCCCCCCCCCOCC(=O)OC 34a_100000038209_100000747449 [0,2,0,0,0,0|1,0,1]=4 5734 B16R0.221 C=CCCCCCCCCCOCC(=O)OC 7a_100000038209_100000747449 [0,2,0,0,0,0|1,0,1]=4 5735 B16R0.221 C=CCCCCCCCCCSCC(=O)OC 62a_100000747449_100009814027 [0,2,0,0,0,0|1,0,1]=4 5736 B16R0.221 C=CCCCCCCCCCSCC(=O)OC 62a_100009814027_100000747449 [0,2,0,0,0,0|1,0,1]=4 5737 B16R0.221 C=CCCCCCCCCOCCC(=O)OC 34a_100011215194_100000742370 [0,2,0,0,0,0|1,0,1]=4 5738 B16R0.221 C=CCCCCCCCCOCCC(=O)OC 7a_100011215194_100000204255 [0,2,0,0,0,0|1,0,1]=4 5739 B16R0.221 C=CCCCCCCCCSCCC(=O)OC 62a_100000204255_100011933949 [0,2,0,0,0,0|1,0,1]=4 5740 B16R0.221 C=CCCCCCCCCSCCC(=O)OC 62a_100011933949_100000204255 [0,2,0,0,0,0|1,0,1]=4 5741 B16R0.221 C=CCCCCCCCOCCCC(=O)OC 34a_100000730831_100000742333 [0,2,0,0,0,0|1,0,1]=4 5742 B16R0.221 C=CCCCCCCCOCCCC(=O)OC 7a_100000730831_100011218270 [0,2,0,0,0,0|1,0,1]=4 5743 B16R0.221 C=CCCCCCCCSCCCC(=O)OC 62a_100011218270_100012355270 [0,2,0,0,0,0|1,0,1]=4 5744 B16R0.221 C=CCCCCCCCSCCCC(=O)OC 62a_100012355270_100011218270 [0,2,0,0,0,0|1,0,1]=4 5745 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 34a_100000059025_100011215473 [0,2,0,0,0,0|1,0,1]=4 5746 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 34a_200011216477_100000204269 [0,2,0,0,0,0|1,0,1]=4 5747 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 7a_100000059025_100011215473 [0,2,0,0,0,0|1,0,1]=4 5748 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 7a_200011216477_100000204269 [0,2,0,0,0,0|1,0,1]=4 5749 B16R0.221 C=CCCCCCCSCCCCC(=O)OC 62a_100000204269_100011215473 [0,2,0,0,0,0|1,0,1]=4 5750 B16R0.221 C=CCCCCCCSCCCCC(=O)OC 62a_100011215473_100000204269 [0,2,0,0,0,0|1,0,1]=4 5751 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000700193 [0,2,0,0,0,0|1,0,1]=4 5752 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 34a_100011216702_100009816466 [0,2,0,0,0,0|1,0,1]=4 5753 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000700193 [0,2,0,0,0,0|1,0,1]=4 5754 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 7a_100011216702_100009816466 [0,2,0,0,0,0|1,0,1]=4 5755 B16R0.221 C=CCCCCCSCCCCCC(=O)OC 62a_100000700193_100009816466 [0,2,0,0,0,0|1,0,1]=4 5756 B16R0.221 C=CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000700193 [0,2,0,0,0,0|1,0,1]=4 5757 B16R0.221 C=CCCCCNCCCCCCC(=O)OC 2230a_100000703577_100009815986 [0,2,0,0,0,0|1,0,1]=4 5758 B16R0.221 C=CCCCCNCCCCCCC(=O)OC 34a_100000703577_100009815986 [0,2,0,0,0,0|1,0,1]=4 5759 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 34a_100000766645_100009815986 [0,2,0,0,0,0|1,0,1]=4 5760 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 34a_100009863599_100011215482 [0,2,0,0,0,0|1,0,1]=4 5761 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 7a_100000766645_100009815986 [0,2,0,0,0,0|1,0,1]=4 5762 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 7a_100009863599_100011215482 [0,2,0,0,0,0|1,0,1]=4 5763 B16R0.221 C=CCCCCSCCCCCCC(=O)OC 62a_100009815986_100011215482 [0,2,0,0,0,0|1,0,1]=4 5764 B16R0.221 C=CCCCCSCCCCCCC(=O)OC 62a_100011215482_100009815986 [0,2,0,0,0,0|1,0,1]=4 5765 B16R0.221 C=CCCCNCCCCCCCC(=O)OC 2230a_100000700776_100010004213 [0,2,0,0,0,0|1,0,1]=4 5766 B16R0.221 C=CCCCNCCCCCCCC(=O)OC 34a_100000700776_100010004213 [0,2,0,0,0,0|1,0,1]=4 5767 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 34a_100000758997_100010004213 [0,2,0,0,0,0|1,0,1]=4 5768 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000757094 [0,2,0,0,0,0|1,0,1]=4 5769 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 7a_100000758997_100010004213 [0,2,0,0,0,0|1,0,1]=4 5770 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000757094 [0,2,0,0,0,0|1,0,1]=4 5771 B16R0.221 C=CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000757094 [0,2,0,0,0,0|1,0,1]=4 5772 B16R0.221 C=CCCCSCCCCCCCC(=O)OC 62a_100011713584_100010004213 [0,2,0,0,0,0|1,0,1]=4 5773 B16R0.221 C=CCCNCCCCCCCCC(=O)OC 2230a_100015191253_100010282707 [0,2,0,0,0,0|1,0,1]=4 5774 B16R0.221 C=CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000754431 [0,2,0,0,0,0|1,0,1]=4 5775 B16R0.221 C=CCCOCCCCCCCCC(=O)OC 34a_100011205117_100010282707 [0,2,0,0,0,0|1,0,1]=4 5776 B16R0.221 C=CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000754431 [0,2,0,0,0,0|1,0,1]=4 5777 B16R0.221 C=CCCSCCCCCCCCC(=O)OC 62a_100000754431_100010282707 [0,2,0,0,0,0|1,0,1]=4 5778 B16R0.221 C=CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000754431 [0,2,0,0,0,0|1,0,1]=4 5779 B16R0.221 C=CCNCCCCCCCCCC(=O)OC 2230a_100020586998_100009813843 [0,2,0,0,0,0|1,0,1]=4 5780 B16R0.221 C=CCOCCCCCCCCCC(=O)OC 34a_200000210373_100009813843 [0,2,0,0,0,0|1,0,1]=4 5781 B16R0.221 C=CCSCCCCCCCCCC(=O)OC 62a_100000210623_100009813843 [0,2,0,0,0,0|1,0,1]=4 5782 B16R0.221 CC(CO)OCCCCCCCCCCCBr 34a_100009812471_100012180447 [0,2,0,0,0,0|1,0,1]=4 5783 B16R0.221 CC(CO)OCCCCCCCCCCCBr 7a_100009812471_100012180447 [0,2,0,0,0,0|1,0,1]=4 5784 B16R0.221 CCC(=O)CCCCCCCCCCCCO 1458a_100000210414_100009813331 [0,2,0,0,0,0|2,0,0]=4 5785 B16R0.221 CCC(=O)CCCCCCOCCCCCO 1458a_100000210414_200132310570 [0,2,0,0,0,0|2,0,0]=4 5786 B16R0.221 CCC(=O)COCCCCCCCCCCBr 7a_100009813290_100000747405 [0,2,0,0,0,0|1,0,0]=3 5787 B16R0.221 CCC(=O)COCCCCCCCCCCCl 7a_200000033068_100000747405 [0,2,0,0,0,0|1,1,0]=4 5788 B16R0.221 CCC(=O)COCCCCCCCCCCO 34a_100000725409_100009813290 [0,2,0,0,0,0|2,0,0]=4 5789 B16R0.221 CCC(=O)CSCCCCCCCCCCO 62a_100000747405_200000033068 [0,2,0,0,0,0|2,0,0]=4 5790 B16R0.221 CCC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747405 [0,2,0,0,0,0|2,0,0]=4 5791 B16R0.221 CCC(O)COCCCCCCCCCCBr 34a_100009813290_100011218378 [0,2,0,0,0,0|1,0,1]=4 5792 B16R0.221 CCC(O)COCCCCCCCCCCBr 7a_100009813290_100011218378 [0,2,0,0,0,0|1,0,1]=4 5793 B16R0.221 CCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000210684 [0,2,0,0,0,0|1,0,0]=3 5794 B16R0.221 CCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000756256 [0,2,0,0,0,0|2,0,0]=4 5795 B16R0.221 CCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000756256 [0,2,0,0,0,0|2,0,0]=4 5796 B16R0.221 CCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000756256 [0,2,0,0,0,0|2,0,0]=4 5797 B16R0.221 CCCCCCCCCCCCNC(=O)CC 11a_100000210451_100000210414 [0,2,0,0,0,0|2,0,0]=4 5798 B16R0.221 CCCCCCCCCCCCNC(=O)CC 1626a_100000210451_100000210414 [0,2,0,0,0,0|2,0,0]=4 5799 B16R0.221 CCCCCCCCCCCCNC(=O)CC 240690a_100000210451_100000210414 [0,2,0,0,0,0|2,0,0]=4 5800 B16R0.221 CCCCCCCCCCCCNC(=O)CC 527a_100000210451_100000210414 [0,2,0,0,0,0|2,0,0]=4 5801 B16R0.221 CCCCCCCCCCCCNC(=O)CO 240690a_100000210451_100000210174 [0,2,0,0,0,0|1,0,0]=3 5802 B16R0.221 CCCCCCCCCCCCNC(=O)CO 527a_100000210451_100000210174 [0,2,0,0,0,0|1,0,0]=3 5803 B16R0.221 CCCCCCCCCCCCNC(=O)NC 2708a_100000210451_106832991635 [0,2,0,0,0,0|2,0,0]=4 5804 B16R0.221 CCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100000210451 [0,2,0,0,0,0|2,0,0]=4 5805 B16R0.221 CCCCCCCCCCCCNC(=O)NC 273464a_100000210451_100102657272 [0,2,0,0,0,0|2,0,0]=4 5806 B16R0.221 CCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100000210451 [0,2,0,0,0,0|2,0,0]=4 5807 B16R0.221 CCCCCCCCCCCCNC(=O)NC 512a_100000210451_100102657272 [0,2,0,0,0,0|2,0,0]=4 5808 B16R0.221 CCCCCCCCCCCCNC(=O)NC 512a_106832991638_100000210451 [0,2,0,0,0,0|2,0,0]=4 5809 B16R0.221 CCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100011215454 [0,2,0,0,0,0|2,0,0]=4 5810 B16R0.221 CCCCCCCCCCCNCC(=O)NC 2230a_200011215754_100000183359 [0,2,0,0,0,0|2,0,0]=4 5811 B16R0.221 CCCCCCCCCCCNCC(=O)NC 34a_200011215754_100000183359 [0,2,0,0,0,0|2,0,0]=4 5812 B16R0.221 CCCCCCCCCCCNCC(=O)OC 2230a_200011215754_100000747449 [0,2,0,0,0,0|1,0,0]=3 5813 B16R0.221 CCCCCCCCCCCNCC(=O)OC 34a_200011215754_100000747449 [0,2,0,0,0,0|1,0,0]=3 5814 B16R0.221 CCCCCCCCCCCOCC(=O)CC 34a_100000725409_100011215454 [0,2,0,0,0,0|2,0,0]=4 5815 B16R0.221 CCCCCCCCCCCOCC(=O)CC 7a_100000210809_100000747405 [0,2,0,0,0,0|2,0,0]=4 5816 B16R0.221 CCCCCCCCCCCOCC(=O)NC 34a_100000210809_100000183359 [0,2,0,0,0,0|2,0,0]=4 5817 B16R0.221 CCCCCCCCCCCOCC(=O)NC 34a_100000750040_100011215454 [0,2,0,0,0,0|2,0,0]=4 5818 B16R0.221 CCCCCCCCCCCOCC(=O)NC 7a_100000210809_100000183359 [0,2,0,0,0,0|2,0,0]=4 5819 B16R0.221 CCCCCCCCCCCOCC(=O)OC 34a_100000210809_100000747449 [0,2,0,0,0,0|1,0,0]=3 5820 B16R0.221 CCCCCCCCCCCOCC(=O)OC 7a_100000210809_100000747449 [0,2,0,0,0,0|1,0,0]=3 5821 B16R0.221 CCCCCCCCCCCSCC(=O)NC 62a_100000183359_100011215454 [0,2,0,0,0,0|2,0,0]=4 5822 B16R0.221 CCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011215454 [0,2,0,0,0,0|1,0,0]=3 5823 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000684558_100000737683 [0,2,0,0,0,0|2,0,0]=4 5824 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210320 [0,2,0,0,0,0|2,0,0]=4 5825 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000684558_100012179268 [0,2,0,0,0,0|2,0,0]=4 5826 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000738227_100000210320 [0,2,0,0,0,0|2,0,0]=4 5827 B16R0.221 CCCCCCCCCCNCCC(=O)OC 2230a_100000684558_100000204255 [0,2,0,0,0,0|1,0,0]=3 5828 B16R0.221 CCCCCCCCCCNCCC(=O)OC 34a_100000684558_100000742370 [0,2,0,0,0,0|1,0,0]=3 5829 B16R0.221 CCCCCCCCCCOCCC(=NO)N 34a_100000749954_100000210320 [0,2,0,0,0,0|2,0,0]=4 5830 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000210711_100012179268 [0,2,0,0,0,0|2,0,0]=4 5831 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000754576_100000210320 [0,2,0,0,0,0|2,0,0]=4 5832 B16R0.221 CCCCCCCCCCOCCC(=O)NC 7a_100000210711_100000737683 [0,2,0,0,0,0|2,0,0]=4 5833 B16R0.221 CCCCCCCCCCOCCC(=O)OC 34a_100000210711_100000742370 [0,2,0,0,0,0|1,0,0]=3 5834 B16R0.221 CCCCCCCCCCOCCC(=O)OC 7a_100000210711_100000204255 [0,2,0,0,0,0|1,0,0]=3 5835 B16R0.221 CCCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210320 [0,2,0,0,0,0|2,0,0]=4 5836 B16R0.221 CCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210320 [0,2,0,0,0,0|1,0,0]=3 5837 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000212291_100000741757 [0,2,0,0,0,0|2,0,0]=4 5838 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011214924 [0,2,0,0,0,0|2,0,0]=4 5839 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000212291_100000741757 [0,2,0,0,0,0|2,0,0]=4 5840 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011214924 [0,2,0,0,0,0|2,0,0]=4 5841 B16R0.221 CCCCCCCCCNCCCC(=O)OC 2230a_100000212291_100011218270 [0,2,0,0,0,0|1,0,0]=3 5842 B16R0.221 CCCCCCCCCNCCCC(=O)OC 34a_100000212291_100000742333 [0,2,0,0,0,0|1,0,0]=3 5843 B16R0.221 CCCCCCCCCOCCCC(=O)NC 34a_100000210712_100000741757 [0,2,0,0,0,0|2,0,0]=4 5844 B16R0.221 CCCCCCCCCOCCCC(=O)NC 7a_100000210712_100000741757 [0,2,0,0,0,0|2,0,0]=4 5845 B16R0.221 CCCCCCCCCOCCCC(=O)NN 34a_100000211488_100011214924 [0,2,0,0,0,0|2,0,0]=4 5846 B16R0.221 CCCCCCCCCOCCCC(=O)OC 34a_100000210712_100000742333 [0,2,0,0,0,0|1,0,0]=3 5847 B16R0.221 CCCCCCCCCOCCCC(=O)OC 7a_100000210712_100011218270 [0,2,0,0,0,0|1,0,0]=3 5848 B16R0.221 CCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011214924 [0,2,0,0,0,0|2,0,0]=4 5849 B16R0.221 CCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011214924 [0,2,0,0,0,0|2,0,0]=4 5850 B16R0.221 CCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210670 [0,2,0,0,0,0|2,0,0]=4 5851 B16R0.221 CCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210670 [0,2,0,0,0,0|1,0,0]=3 5852 B16R0.221 CCCCCCCCNCCCCC(=O)OC 2230a_100000229939_100000204269 [0,2,0,0,0,0|1,0,0]=3 5853 B16R0.221 CCCCCCCCNCCCCC(=O)OC 34a_100000229939_100000204269 [0,2,0,0,0,0|1,0,0]=3 5854 B16R0.221 CCCCCCCCNCCOCC(=O)OC 2230a_100000229939_100000090808 [0,2,0,0,0,0|2,0,0]=4 5855 B16R0.221 CCCCCCCCNCCOCC(=O)OC 34a_100000229939_100000090808 [0,2,0,0,0,0|2,0,0]=4 5856 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210759 [0,2,0,0,0,0|1,0,0]=3 5857 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000210232_100000204269 [0,2,0,0,0,0|1,0,0]=3 5858 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210759 [0,2,0,0,0,0|1,0,0]=3 5859 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000210232_100000204269 [0,2,0,0,0,0|1,0,0]=3 5860 B16R0.221 CCCCCCCCOCCOCC(=O)OC 34a_100000210232_100000090808 [0,2,0,0,0,0|2,0,0]=4 5861 B16R0.221 CCCCCCCCOCCOCC(=O)OC 7a_100000210232_100000090808 [0,2,0,0,0,0|2,0,0]=4 5862 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210317 [0,2,0,0,0,0|1,0,0]=3 5863 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000210759_100000204269 [0,2,0,0,0,0|1,0,0]=3 5864 B16R0.221 CCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210317 [0,2,0,0,0,0|2,0,0]=4 5865 B16R0.221 CCCCCCCCSCCOCC(=O)OC 62a_100000210759_100000090808 [0,2,0,0,0,0|2,0,0]=4 5866 B16R0.221 CCCCCCCNCCCCCC(=O)OC 2230a_100000229938_100009816466 [0,2,0,0,0,0|1,0,0]=3 5867 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210614 [0,2,0,0,0,0|1,0,0]=3 5868 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000210272_100009816466 [0,2,0,0,0,0|1,0,0]=3 5869 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210614 [0,2,0,0,0,0|1,0,0]=3 5870 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000210272_100009816466 [0,2,0,0,0,0|1,0,0]=3 5871 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100000210614_100009816466 [0,2,0,0,0,0|1,0,0]=3 5872 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210316 [0,2,0,0,0,0|1,0,0]=3 5873 B16R0.221 CCCCCCNCCCCCCC(=O)OC 2230a_100000210581_100009815986 [0,2,0,0,0,0|1,0,0]=3 5874 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100000210259_100009815986 [0,2,0,0,0,0|1,0,0]=3 5875 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210314 [0,2,0,0,0,0|1,0,0]=3 5876 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100000210259_100009815986 [0,2,0,0,0,0|1,0,0]=3 5877 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210314 [0,2,0,0,0,0|1,0,0]=3 5878 B16R0.221 CCCCCCOCCOCCCC(=O)OC 34a_100000691444_100000742333 [0,2,0,0,0,0|2,0,0]=4 5879 B16R0.221 CCCCCCOCCOCCCC(=O)OC 7a_100000691444_100011218270 [0,2,0,0,0,0|2,0,0]=4 5880 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100000210314_100009815986 [0,2,0,0,0,0|1,0,0]=3 5881 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210757 [0,2,0,0,0,0|1,0,0]=3 5882 B16R0.221 CCCCCNCCCCCCCC(=O)OC 2230a_100000209983_100010004213 [0,2,0,0,0,0|1,0,0]=3 5883 B16R0.221 CCCCCNCCOCCCCC(=O)OC 34a_100000224656_100000204269 [0,2,0,0,0,0|2,0,0]=4 5884 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100000210253_100010004213 [0,2,0,0,0,0|1,0,0]=3 5885 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000718602 [0,2,0,0,0,0|1,0,0]=3 5886 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100000210253_100010004213 [0,2,0,0,0,0|1,0,0]=3 5887 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210326 [0,2,0,0,0,0|1,0,0]=3 5888 B16R0.221 CCCCCOCCOCCCCC(=O)OC 34a_100011215259_100000204269 [0,2,0,0,0,0|2,0,0]=4 5889 B16R0.221 CCCCCOCCOCCCCC(=O)OC 7a_100011215259_100000204269 [0,2,0,0,0,0|2,0,0]=4 5890 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100000210326_100010004213 [0,2,0,0,0,0|1,0,0]=3 5891 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210326 [0,2,0,0,0,0|1,0,0]=3 5892 B16R0.221 CCCCNCCCCCCCCC(=O)OC 2230a_100000102301_100010282707 [0,2,0,0,0,0|1,0,0]=3 5893 B16R0.221 CCCCNCCCCCCCCC(=O)OC 7a_106832991798_100010282707 [0,2,0,0,0,0|1,0,0]=3 5894 B16R0.221 CCCCNCCCCOCCCC(=O)OC 34a_200011216965_100000742333 [0,2,0,0,0,0|2,0,0]=4 5895 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210210 [0,2,0,0,0,0|1,0,0]=3 5896 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000210227_100010282707 [0,2,0,0,0,0|1,0,0]=3 5897 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210211 [0,2,0,0,0,0|1,0,0]=3 5898 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000210227_100010282707 [0,2,0,0,0,0|1,0,0]=3 5899 B16R0.221 CCCCOCCCCOCCCC(=O)OC 34a_200000760531_100000742333 [0,2,0,0,0,0|2,0,0]=4 5900 B16R0.221 CCCCOCCCCOCCCC(=O)OC 7a_200000760531_100011218270 [0,2,0,0,0,0|2,0,0]=4 5901 B16R0.221 CCCCOCCCNCCCCC(=O)OC 2230a_200000211371_100000204269 [0,2,0,0,0,0|2,0,0]=4 5902 B16R0.221 CCCCOCCCNCCCCC(=O)OC 34a_200000211371_100000204269 [0,2,0,0,0,0|2,0,0]=4 5903 B16R0.221 CCCCOCCCOCCCCC(=O)OC 34a_200011215613_100000204269 [0,2,0,0,0,0|2,0,0]=4 5904 B16R0.221 CCCCOCCCOCCCCC(=O)OC 7a_200011215613_100000204269 [0,2,0,0,0,0|2,0,0]=4 5905 B16R0.221 CCCCOCCOCCCCCC(=O)OC 34a_100000074720_100000743108 [0,2,0,0,0,0|2,0,0]=4 5906 B16R0.221 CCCCOCCOCCCCCC(=O)OC 34a_100000210238_100009816466 [0,2,0,0,0,0|2,0,0]=4 5907 B16R0.221 CCCCOCCOCCCCCC(=O)OC 7a_100000074720_100000743108 [0,2,0,0,0,0|2,0,0]=4 5908 B16R0.221 CCCCOCCOCCCCCC(=O)OC 7a_100000210238_100009816466 [0,2,0,0,0,0|2,0,0]=4 5909 B16R0.221 CCCCOCCSCCCCCC(=O)OC 62a_100000743108_100009816466 [0,2,0,0,0,0|2,0,0]=4 5910 B16R0.221 CCCCOCCSCCCCCC(=O)OC 62a_100009816466_100000743108 [0,2,0,0,0,0|2,0,0]=4 5911 B16R0.221 CCCCOCOCCCCCCC(=O)OC 34a_100009863599_100011995733 [0,2,0,0,0,0|2,0,0]=4 5912 B16R0.221 CCCCOCSCCCCCCC(=O)OC 62a_100009815986_100011995733 [0,2,0,0,0,0|2,0,0]=4 5913 B16R0.221 CCCCOCSCCCCCCC(=O)OC 62a_100011995733_100009815986 [0,2,0,0,0,0|2,0,0]=4 5914 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100000210211_100010282707 [0,2,0,0,0,0|1,0,0]=3 5915 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210210 [0,2,0,0,0,0|1,0,0]=3 5916 B16R0.221 CCCCSCCNCCCCCC(=O)OC 2230a_100025743550_100009816466 [0,2,0,0,0,0|2,0,0]=4 5917 B16R0.221 CCCCSCCOCCCCCC(=O)OC 34a_200000230436_100009816466 [0,2,0,0,0,0|2,0,0]=4 5918 B16R0.221 CCCCSCCOCCCCCC(=O)OC 7a_200000230436_100009816466 [0,2,0,0,0,0|2,0,0]=4 5919 B16R0.221 CCCOCCCCCCCCCC(=O)OC 34a_100000210258_100009813843 [0,2,0,0,0,0|1,0,0]=3 5920 B16R0.221 CCCOCCCNCCCCCC(=O)OC 2230a_100011217757_100009816466 [0,2,0,0,0,0|2,0,0]=4 5921 B16R0.221 CCCOCCCNCCCCCC(=O)OC 34a_100011217757_100009816466 [0,2,0,0,0,0|2,0,0]=4 5922 B16R0.221 CCCOCCNCCCCCCC(=O)OC 2230a_100161115042_100009815986 [0,2,0,0,0,0|2,0,0]=4 5923 B16R0.221 CCCOCCNCCCCCCC(=O)OC 34a_100161115042_100009815986 [0,2,0,0,0,0|2,0,0]=4 5924 B16R0.221 CCCOCCOCCCCCCC(=O)OC 34a_100000752267_100009815986 [0,2,0,0,0,0|2,0,0]=4 5925 B16R0.221 CCCOCCOCCCCCCC(=O)OC 34a_100009863599_100011215938 [0,2,0,0,0,0|2,0,0]=4 5926 B16R0.221 CCCOCCOCCCCCCC(=O)OC 7a_100000752267_100009815986 [0,2,0,0,0,0|2,0,0]=4 5927 B16R0.221 CCCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215938 [0,2,0,0,0,0|2,0,0]=4 5928 B16R0.221 CCCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215938 [0,2,0,0,0,0|2,0,0]=4 5929 B16R0.221 CCCOCCSCCCCCCC(=O)OC 62a_100011215938_100009815986 [0,2,0,0,0,0|2,0,0]=4 5930 B16R0.221 CCCSCCCCCCCCCC(=O)OC 62a_100000210303_100009813843 [0,2,0,0,0,0|1,0,0]=3 5931 B16R0.221 CCCSCCNCCCCCCC(=O)OC 2230a_100020603323_100009815986 [0,2,0,0,0,0|2,0,0]=4 5932 B16R0.221 CCCSCCOCCCCCCC(=O)OC 34a_200000230433_100009815986 [0,2,0,0,0,0|2,0,0]=4 5933 B16R0.221 CCCSCCOCCCCCCC(=O)OC 7a_200000230433_100009815986 [0,2,0,0,0,0|2,0,0]=4 5934 B16R0.221 CCNCCCCCCCCCCC(=O)OC 2230a_100015525214_100009812566 [0,2,0,0,0,0|1,0,0]=3 5935 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210202 [0,2,0,0,0,0|1,0,0]=3 5936 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100121572206_100009812566 [0,2,0,0,0,0|1,0,0]=3 5937 B16R0.221 CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210202 [0,2,0,0,0,0|1,0,0]=3 5938 B16R0.221 CCOCCCNCCCCCCC(=O)OC 2230a_100000210961_100009815986 [0,2,0,0,0,0|2,0,0]=4 5939 B16R0.221 CCOCCCNCCCCCCC(=O)OC 34a_100000210961_100009815986 [0,2,0,0,0,0|2,0,0]=4 5940 B16R0.221 CCOCCCOCCCCCCC(=O)OC 34a_100000757476_100009815986 [0,2,0,0,0,0|2,0,0]=4 5941 B16R0.221 CCOCCCOCCCCCCC(=O)OC 34a_100009863599_100012232248 [0,2,0,0,0,0|2,0,0]=4 5942 B16R0.221 CCOCCCOCCCCCCC(=O)OC 7a_100000757476_100009815986 [0,2,0,0,0,0|2,0,0]=4 5943 B16R0.221 CCOCCCOCCCCCCC(=O)OC 7a_100009863599_100012232248 [0,2,0,0,0,0|2,0,0]=4 5944 B16R0.221 CCOCCCSCCCCCCC(=O)OC 62a_100009815986_100012232248 [0,2,0,0,0,0|2,0,0]=4 5945 B16R0.221 CCOCCCSCCCCCCC(=O)OC 62a_100012232248_100009815986 [0,2,0,0,0,0|2,0,0]=4 5946 B16R0.221 CCOCCNCCCCCCCC(=O)OC 2230a_102516460346_100010004213 [0,2,0,0,0,0|2,0,0]=4 5947 B16R0.221 CCOCCNCCCCCCCC(=O)OC 34a_102516460346_100010004213 [0,2,0,0,0,0|2,0,0]=4 5948 B16R0.221 CCOCCOCCCCCCCC(=O)OC 34a_100000210136_100010004213 [0,2,0,0,0,0|2,0,0]=4 5949 B16R0.221 CCOCCOCCCCCCCC(=O)OC 34a_100011022521_100000210147 [0,2,0,0,0,0|2,0,0]=4 5950 B16R0.221 CCOCCOCCCCCCCC(=O)OC 7a_100000210136_100010004213 [0,2,0,0,0,0|2,0,0]=4 5951 B16R0.221 CCOCCOCCCCCCCC(=O)OC 7a_100011022521_100011215890 [0,2,0,0,0,0|2,0,0]=4 5952 B16R0.221 CCOCCSCCCCCCCC(=O)OC 62a_100000210147_100010004213 [0,2,0,0,0,0|2,0,0]=4 5953 B16R0.221 CCOCCSCCCCCCCC(=O)OC 62a_100010004213_100011215890 [0,2,0,0,0,0|2,0,0]=4 5954 B16R0.221 CCOCSCCCCCCCCC(=O)OC 62a_100000739092_100010282707 [0,2,0,0,0,0|2,0,0]=4 5955 B16R0.221 CCOCSCCCCCCCCC(=O)OC 62a_100010282707_100000739092 [0,2,0,0,0,0|2,0,0]=4 5956 B16R0.221 CCSCCCCCCCCCCC(=O)OC 62a_100000210202_100009812566 [0,2,0,0,0,0|1,0,0]=3 5957 B16R0.221 CCSCCCOCCCCCCC(=O)OC 34a_100011216438_100009815986 [0,2,0,0,0,0|2,0,0]=4 5958 B16R0.221 CCSCCCOCCCCCCC(=O)OC 7a_100011216438_100009815986 [0,2,0,0,0,0|2,0,0]=4 5959 B16R0.221 CCSCCNCCCCCCCC(=O)OC 2230a_100000106463_100010004213 [0,2,0,0,0,0|2,0,0]=4 5960 B16R0.221 CCSCCOCCCCCCCC(=O)OC 34a_100000212035_100010004213 [0,2,0,0,0,0|2,0,0]=4 5961 B16R0.221 CCSCCOCCCCCCCC(=O)OC 34a_100011022521_100000757381 [0,2,0,0,0,0|2,0,0]=4 5962 B16R0.221 CCSCCOCCCCCCCC(=O)OC 7a_100000212035_100010004213 [0,2,0,0,0,0|2,0,0]=4 5963 B16R0.221 CCSCCOCCCCCCCC(=O)OC 7a_100011022521_100000757381 [0,2,0,0,0,0|2,0,0]=4 5964 B16R0.221 CCSCCSCCCCCCCC(=O)OC 62a_100000757381_100010004213 [0,2,0,0,0,0|2,0,0]=4 5965 B16R0.221 CCSCCSCCCCCCCC(=O)OC 62a_100010004213_100000757381 [0,2,0,0,0,0|2,0,0]=4 5966 B16R0.221 CNC(=O)CCCCCCCCCCCCO 240690a_100102657272_100102582631 [0,2,0,0,0,0|2,0,0]=4 5967 B16R0.221 CNC(=O)CCCNCCCCCCCCO 2230a_100000740002_100000033203 [0,2,0,0,0,0|2,0,0]=4 5968 B16R0.221 CNC(=O)CCCNCCCCCCCCO 2230a_102515433106_100000741757 [0,2,0,0,0,0|2,0,0]=4 5969 B16R0.221 CNC(=O)CCCNCCCCCCCCO 34a_100000740002_100000033203 [0,2,0,0,0,0|2,0,0]=4 5970 B16R0.221 CNC(=O)CCCNCCCCCCCCO 34a_102515433106_100000741757 [0,2,0,0,0,0|2,0,0]=4 5971 B16R0.221 CNC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000741757 [0,2,0,0,0,0|1,0,0]=3 5972 B16R0.221 CNC(=O)CCCOCCCCCCCCBr 7a_100009813846_100000741757 [0,2,0,0,0,0|1,0,0]=3 5973 B16R0.221 CNC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000741757 [0,2,0,0,0,0|1,1,0]=4 5974 B16R0.221 CNC(=O)CCCOCCCCCCCCCl 7a_100000033203_100000741757 [0,2,0,0,0,0|1,1,0]=4 5975 B16R0.221 CNC(=O)CCCOCCCCCCCCN 34a_102515433106_100000741757 [0,2,0,0,0,0|2,0,0]=4 5976 B16R0.221 CNC(=O)CCCSCCCCCCCCO 62a_100000033203_100000741757 [0,2,0,0,0,0|2,0,0]=4 5977 B16R0.221 CNC(=O)CCCSCCCCCCCCO 62a_100000741757_100000033203 [0,2,0,0,0,0|2,0,0]=4 5978 B16R0.221 CNC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000737683 [0,2,0,0,0,0|2,0,0]=4 5979 B16R0.221 CNC(=O)CCNCCCCCCCCCO 2230a_100000738227_100009813782 [0,2,0,0,0,0|2,0,0]=4 5980 B16R0.221 CNC(=O)CCNCCCCCCCCCO 34a_100000078944_100012179268 [0,2,0,0,0,0|2,0,0]=4 5981 B16R0.221 CNC(=O)CCNCCCCCCCCCO 34a_100000738227_100009813782 [0,2,0,0,0,0|2,0,0]=4 5982 B16R0.221 CNC(=O)CCOCCCCCCCCCBr 34a_100009813782_100012179268 [0,2,0,0,0,0|1,0,0]=3 5983 B16R0.221 CNC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000737683 [0,2,0,0,0,0|1,0,0]=3 5984 B16R0.221 CNC(=O)CCOCCCCCCCCCCl 34a_100009868337_100012179268 [0,2,0,0,0,0|1,1,0]=4 5985 B16R0.221 CNC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000737683 [0,2,0,0,0,0|1,1,0]=4 5986 B16R0.221 CNC(=O)CCOCCCCCCCCCN 34a_100000078944_100012179268 [0,2,0,0,0,0|2,0,0]=4 5987 B16R0.221 CNC(=O)CCOCCCCCCCCCO 34a_100000754576_100009813782 [0,2,0,0,0,0|2,0,0]=4 5988 B16R0.221 CNC(=O)CCSCCCCCCCCCO 62a_100000737683_100009813782 [0,2,0,0,0,0|2,0,0]=4 5989 B16R0.221 CNC(=O)CCSCCCCCCCCCO 62a_100009813782_100000737683 [0,2,0,0,0,0|2,0,0]=4 5990 B16R0.221 CNC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000183359 [0,2,0,0,0,0|2,0,0]=4 5991 B16R0.221 CNC(=O)CNCCCCCCCCCCO 2230a_100000693194_100009813290 [0,2,0,0,0,0|2,0,0]=4 5992 B16R0.221 CNC(=O)CNCCCCCCCCCCO 34a_100000066964_100000183359 [0,2,0,0,0,0|2,0,0]=4 5993 B16R0.221 CNC(=O)COCCCCCCCCCCBr 34a_100009813290_100000183359 [0,2,0,0,0,0|1,0,0]=3 5994 B16R0.221 CNC(=O)COCCCCCCCCCCBr 7a_100009813290_100000183359 [0,2,0,0,0,0|1,0,0]=3 5995 B16R0.221 CNC(=O)COCCCCCCCCCCCl 34a_200000033068_100000183359 [0,2,0,0,0,0|1,1,0]=4 5996 B16R0.221 CNC(=O)COCCCCCCCCCCCl 7a_200000033068_100000183359 [0,2,0,0,0,0|1,1,0]=4 5997 B16R0.221 CNC(=O)COCCCCCCCCCCN 34a_100000066964_100000183359 [0,2,0,0,0,0|2,0,0]=4 5998 B16R0.221 CNC(=O)COCCCCCCCCCCO 34a_100000750040_100009813290 [0,2,0,0,0,0|2,0,0]=4 5999 B16R0.221 CNC(=O)CSCCCCCCCCCCO 62a_100000183359_200000033068 [0,2,0,0,0,0|2,0,0]=4 6000 B16R0.221 CNC(=O)CSCCCCCCCCCCO 62a_100009813290_100000183359 [0,2,0,0,0,0|2,0,0]=4 6001 B16R0.221 CNC(=O)OCCOCCCCCCCCBr 34a_100009813846_200011997002 [0,2,0,0,0,0|2,0,0]=4 6002 B16R0.221 CNC(=O)OCCOCCCCCCCCBr 7a_100009813846_200011997002 [0,2,0,0,0,0|2,0,0]=4 6003 B16R0.221 CNCCCCCCCCCCCC(=O)OC 2230a_106832991635_100010983606 [0,2,0,0,0,0|1,0,0]=3 6004 B16R0.221 CNCCCCCCCCCCCC(=O)OC 34a_100102657272_100010983606 [0,2,0,0,0,0|1,0,0]=3 6005 B16R0.221 CNCCCCCCCCCCCC(=O)OC 7a_106832991635_100010983606 [0,2,0,0,0,0|1,0,0]=3 6006 B16R0.221 CNCCCCCOCCCCCC(=O)OC 34a_100000722520_100009816466 [0,2,0,0,0,0|2,0,0]=4 6007 B16R0.221 CNCCCOCCCCCCCC(=O)OC 34a_100000213112_100010004213 [0,2,0,0,0,0|2,0,0]=4 6008 B16R0.221 COC(=O)/C=C/COCCCCCCCCBr 34a_100009813846_100000742655 [0,2,0,0,0,0|0,0,2]=4 6009 B16R0.221 COC(=O)/C=C/COCCCCCCCCBr 7a_100009813846_100000742655 [0,2,0,0,0,0|0,0,2]=4 6010 B16R0.221 COC(=O)CCCCCCCCCCCSC 62a_200000210301_100010983606 [0,2,0,0,0,0|1,0,0]=3 6011 B16R0.221 COC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100010983606 [0,2,0,0,0,0|1,0,0]=3 6012 B16R0.221 COC(=O)CCCCCCCCCCOCF 34a_100011003013_100015361967 [0,2,0,0,0,0|0,1,0]=3 6013 B16R0.221 COC(=O)CCCCCCCCCCOCF 7a_100011003013_100015361967 [0,2,0,0,0,0|0,1,0]=3 6014 B16R0.221 COC(=O)CCCCCCCCCCSCF 62a_100015361967_100009812566 [0,2,0,0,0,0|0,1,0]=3 6015 B16R0.221 COC(=O)CCCCCCCCCNCCF 34a_100000724931_100009813843 [0,2,0,0,0,0|0,1,0]=3 6016 B16R0.221 COC(=O)CCCCCCCCCNCCO 2230a_100016997473_100009813843 [0,2,0,0,0,0|1,0,0]=3 6017 B16R0.221 COC(=O)CCCCCCCCCNCCO 34a_100016990907_100009813843 [0,2,0,0,0,0|1,0,0]=3 6018 B16R0.221 COC(=O)CCCCCCCCCOCCBr 34a_100000211926_100009813843 [0,2,0,0,0,0|0,0,0]=2 6019 B16R0.221 COC(=O)CCCCCCCCCOCCN 34a_100000210304_100009813843 [0,2,0,0,0,0|1,0,0]=3 6020 B16R0.221 COC(=O)CCCCCCCCCSCC#N 62a_100011215382_100009813843 [0,2,0,0,0,0|1,0,1]=4 6021 B16R0.221 COC(=O)CCCCCCCCCSCC=O 62a_200015260668_100009813843 [0,2,0,0,0,0|1,0,1]=4 6022 B16R0.221 COC(=O)CCCCCCCCCSCCF 62a_100011217306_100009813843 [0,2,0,0,0,0|0,1,0]=3 6023 B16R0.221 COC(=O)CCCCCCCCCSCCO 62a_100000211926_100009813843 [0,2,0,0,0,0|1,0,0]=3 6024 B16R0.221 COC(=O)CCCCCCCCCSCSC 62a_100011218213_100009813843 [0,2,0,0,0,0|2,0,0]=4 6025 B16R0.221 COC(=O)CCCCCCCCNCCCF 2230a_100015189416_100010282707 [0,2,0,0,0,0|0,1,0]=3 6026 B16R0.221 COC(=O)CCCCCCCCNCCCF 34a_100015189416_100010282707 [0,2,0,0,0,0|0,1,0]=3 6027 B16R0.221 COC(=O)CCCCCCCCNCCSC 2230a_100020590264_100010282707 [0,2,0,0,0,0|2,0,0]=4 6028 B16R0.221 COC(=O)CCCCCCCCOCCC#N 7a_100000035544_100000184422 [0,2,0,0,0,0|1,0,1]=4 6029 B16R0.221 COC(=O)CCCCCCCCOCCCBr 34a_100011217188_100010282707 [0,2,0,0,0,0|0,0,0]=2 6030 B16R0.221 COC(=O)CCCCCCCCOCCCCl 34a_100000230001_100010282707 [0,2,0,0,0,0|0,1,0]=3 6031 B16R0.221 COC(=O)CCCCCCCCOCCCF 34a_100000035544_100011934791 [0,2,0,0,0,0|0,1,0]=3 6032 B16R0.221 COC(=O)CCCCCCCCOCCCF 34a_100000759539_100010282707 [0,2,0,0,0,0|0,1,0]=3 6033 B16R0.221 COC(=O)CCCCCCCCOCCCF 7a_100000035544_100011934791 [0,2,0,0,0,0|0,1,0]=3 6034 B16R0.221 COC(=O)CCCCCCCCOCCCN 34a_100000182051_100010282707 [0,2,0,0,0,0|1,0,0]=3 6035 B16R0.221 COC(=O)CCCCCCCCOCCCO 34a_100000035544_100000230001 [0,2,0,0,0,0|1,0,0]=3 6036 B16R0.221 COC(=O)CCCCCCCCOCCCO 7a_100000035544_100011215043 [0,2,0,0,0,0|1,0,0]=3 6037 B16R0.221 COC(=O)CCCCCCCCOCCON 34a_100000700252_100010282707 [0,2,0,0,0,0|2,0,0]=4 6038 B16R0.221 COC(=O)CCCCCCCCOCCSC 34a_100000035544_100000212216 [0,2,0,0,0,0|2,0,0]=4 6039 B16R0.221 COC(=O)CCCCCCCCOCCSC 34a_100000230434_100010282707 [0,2,0,0,0,0|2,0,0]=4 6040 B16R0.221 COC(=O)CCCCCCCCOCCSC 7a_100000035544_100000212216 [0,2,0,0,0,0|2,0,0]=4 6041 B16R0.221 COC(=O)CCCCCCCCOCCSC 7a_100000230434_100010282707 [0,2,0,0,0,0|2,0,0]=4 6042 B16R0.221 COC(=O)CCCCCCCCSCCC#N 62a_100010282707_100011215226 [0,2,0,0,0,0|1,0,1]=4 6043 B16R0.221 COC(=O)CCCCCCCCSCCC#N 62a_100011215226_100010282707 [0,2,0,0,0,0|1,0,1]=4 6044 B16R0.221 COC(=O)CCCCCCCCSCCCF 62a_100010282707_100011934791 [0,2,0,0,0,0|0,1,0]=3 6045 B16R0.221 COC(=O)CCCCCCCCSCCCF 62a_100011934791_100010282707 [0,2,0,0,0,0|0,1,0]=3 6046 B16R0.221 COC(=O)CCCCCCCCSCCCO 62a_100010282707_100011215043 [0,2,0,0,0,0|1,0,0]=3 6047 B16R0.221 COC(=O)CCCCCCCCSCCCO 62a_100011215043_100010282707 [0,2,0,0,0,0|1,0,0]=3 6048 B16R0.221 COC(=O)CCCCCCCCSCCSC 62a_100000212216_100010282707 [0,2,0,0,0,0|2,0,0]=4 6049 B16R0.221 COC(=O)CCCCCCCCSCCSC 62a_100010282707_100000751147 [0,2,0,0,0,0|2,0,0]=4 6050 B16R0.221 COC(=O)CCCCCCCNCCCCO 2230a_100000750430_100010004213 [0,2,0,0,0,0|1,0,0]=3 6051 B16R0.221 COC(=O)CCCCCCCNCCCCO 34a_100000750430_100010004213 [0,2,0,0,0,0|1,0,0]=3 6052 B16R0.221 COC(=O)CCCCCCCNCCCSC 2230a_100000749238_100010004213 [0,2,0,0,0,0|2,0,0]=4 6053 B16R0.221 COC(=O)CCCCCCCOCCCC#N 7a_100011022521_100000687738 [0,2,0,0,0,0|1,0,1]=4 6054 B16R0.221 COC(=O)CCCCCCCOCCCC=O 7a_100011022521_200011292268 [0,2,0,0,0,0|1,0,1]=4 6055 B16R0.221 COC(=O)CCCCCCCOCCCCBr 34a_100011216708_100010004213 [0,2,0,0,0,0|0,0,0]=2 6056 B16R0.221 COC(=O)CCCCCCCOCCCCCl 34a_100000210776_100010004213 [0,2,0,0,0,0|0,1,0]=3 6057 B16R0.221 COC(=O)CCCCCCCOCCCCCl 7a_100000210776_100010004213 [0,2,0,0,0,0|0,1,0]=3 6058 B16R0.221 COC(=O)CCCCCCCOCCCCF 34a_100011022521_100000729493 [0,2,0,0,0,0|0,1,0]=3 6059 B16R0.221 COC(=O)CCCCCCCOCCCCF 34a_100011995726_100010004213 [0,2,0,0,0,0|0,1,0]=3 6060 B16R0.221 COC(=O)CCCCCCCOCCCCF 7a_100011022521_100000729493 [0,2,0,0,0,0|0,1,0]=3 6061 B16R0.221 COC(=O)CCCCCCCOCCCCF 7a_100011995726_100010004213 [0,2,0,0,0,0|0,1,0]=3 6062 B16R0.221 COC(=O)CCCCCCCOCCCCI 34a_200012148704_100010004213 [0,2,0,0,0,0|0,1,0]=3 6063 B16R0.221 COC(=O)CCCCCCCOCCCCN 34a_100000750430_100010004213 [0,2,0,0,0,0|1,0,0]=3 6064 B16R0.221 COC(=O)CCCCCCCOCCCCO 34a_100011022521_100011216708 [0,2,0,0,0,0|1,0,0]=3 6065 B16R0.221 COC(=O)CCCCCCCOCCCCO 7a_100011022521_100000210776 [0,2,0,0,0,0|1,0,0]=3 6066 B16R0.221 COC(=O)CCCCCCCOCCCSC 34a_100000690336_100010004213 [0,2,0,0,0,0|2,0,0]=4 6067 B16R0.221 COC(=O)CCCCCCCOCCCSC 7a_100000690336_100010004213 [0,2,0,0,0,0|2,0,0]=4 6068 B16R0.221 COC(=O)CCCCCCCSCCCC#N 62a_100000687738_100010004213 [0,2,0,0,0,0|1,0,1]=4 6069 B16R0.221 COC(=O)CCCCCCCSCCCC#N 62a_100010004213_100000687738 [0,2,0,0,0,0|1,0,1]=4 6070 B16R0.221 COC(=O)CCCCCCCSCCCC=O 62a_100010004213_200011292268 [0,2,0,0,0,0|1,0,1]=4 6071 B16R0.221 COC(=O)CCCCCCCSCCCC=O 62a_200011292268_100010004213 [0,2,0,0,0,0|1,0,1]=4 6072 B16R0.221 COC(=O)CCCCCCCSCCCCF 62a_100000729493_100010004213 [0,2,0,0,0,0|0,1,0]=3 6073 B16R0.221 COC(=O)CCCCCCCSCCCCF 62a_100010004213_100000729493 [0,2,0,0,0,0|0,1,0]=3 6074 B16R0.221 COC(=O)CCCCCCCSCCCCO 62a_100000210776_100010004213 [0,2,0,0,0,0|1,0,0]=3 6075 B16R0.221 COC(=O)CCCCCCCSCCCCO 62a_100010004213_100000210776 [0,2,0,0,0,0|1,0,0]=3 6076 B16R0.221 COC(=O)CCCCCCNCCCCCO 2230a_100000762737_100009815986 [0,2,0,0,0,0|1,0,0]=3 6077 B16R0.221 COC(=O)CCCCCCNCCCCCO 34a_100000762737_100009815986 [0,2,0,0,0,0|1,0,0]=3 6078 B16R0.221 COC(=O)CCCCCCNCCOCCO 2230a_100000211614_100009815986 [0,2,0,0,0,0|2,0,0]=4 6079 B16R0.221 COC(=O)CCCCCCNCCOCCO 34a_100000211614_100009815986 [0,2,0,0,0,0|2,0,0]=4 6080 B16R0.221 COC(=O)CCCCCCNCCSCCO 2230a_100011219999_100009815986 [0,2,0,0,0,0|2,0,0]=4 6081 B16R0.221 COC(=O)CCCCCCOCCCCC#N 7a_100009863599_100000211819 [0,2,0,0,0,0|1,0,1]=4 6082 B16R0.221 COC(=O)CCCCCCOCCCCC=O 7a_100009863599_100000139335 [0,2,0,0,0,0|1,0,1]=4 6083 B16R0.221 COC(=O)CCCCCCOCCCCCBr 34a_100000746331_100009815986 [0,2,0,0,0,0|0,0,0]=2 6084 B16R0.221 COC(=O)CCCCCCOCCCCCBr 7a_100000746331_100009815986 [0,2,0,0,0,0|0,0,0]=2 6085 B16R0.221 COC(=O)CCCCCCOCCCCCCl 34a_100000746330_100009815986 [0,2,0,0,0,0|0,1,0]=3 6086 B16R0.221 COC(=O)CCCCCCOCCCCCCl 7a_100000746330_100009815986 [0,2,0,0,0,0|0,1,0]=3 6087 B16R0.221 COC(=O)CCCCCCOCCCCCF 34a_100009863599_100000729378 [0,2,0,0,0,0|0,1,0]=3 6088 B16R0.221 COC(=O)CCCCCCOCCCCCF 7a_100009863599_100000729378 [0,2,0,0,0,0|0,1,0]=3 6089 B16R0.221 COC(=O)CCCCCCOCCCCCI 34a_200012148887_100009815986 [0,2,0,0,0,0|0,1,0]=3 6090 B16R0.221 COC(=O)CCCCCCOCCCCCI 7a_200012148887_100009815986 [0,2,0,0,0,0|0,1,0]=3 6091 B16R0.221 COC(=O)CCCCCCOCCCCCN 34a_100000762737_100009815986 [0,2,0,0,0,0|1,0,0]=3 6092 B16R0.221 COC(=O)CCCCCCOCCCCCO 34a_100009863599_100000746330 [0,2,0,0,0,0|1,0,0]=3 6093 B16R0.221 COC(=O)CCCCCCOCCCCCO 7a_100009863599_100000746330 [0,2,0,0,0,0|1,0,0]=3 6094 B16R0.221 COC(=O)CCCCCCOCCCCSC 34a_100011217163_100009815986 [0,2,0,0,0,0|2,0,0]=4 6095 B16R0.221 COC(=O)CCCCCCOCCCCSC 7a_100011217163_100009815986 [0,2,0,0,0,0|2,0,0]=4 6096 B16R0.221 COC(=O)CCCCCCOCCOCCBr 34a_100000692535_100009815986 [0,2,0,0,0,0|1,0,0]=3 6097 B16R0.221 COC(=O)CCCCCCOCCOCCBr 7a_100000692535_100009815986 [0,2,0,0,0,0|1,0,0]=3 6098 B16R0.221 COC(=O)CCCCCCOCCOCCCl 34a_100011215305_100009815986 [0,2,0,0,0,0|1,1,0]=4 6099 B16R0.221 COC(=O)CCCCCCOCCOCCCl 7a_100011215305_100009815986 [0,2,0,0,0,0|1,1,0]=4 6100 B16R0.221 COC(=O)CCCCCCOCCOCCF 34a_200015357709_100009815986 [0,2,0,0,0,0|1,1,0]=4 6101 B16R0.221 COC(=O)CCCCCCOCCOCCF 7a_200015357709_100009815986 [0,2,0,0,0,0|1,1,0]=4 6102 B16R0.221 COC(=O)CCCCCCOCCOCCI 34a_100012149058_100009815986 [0,2,0,0,0,0|1,1,0]=4 6103 B16R0.221 COC(=O)CCCCCCOCCOCCI 7a_100012149058_100009815986 [0,2,0,0,0,0|1,1,0]=4 6104 B16R0.221 COC(=O)CCCCCCOCCOCCN 34a_100000211614_100009815986 [0,2,0,0,0,0|2,0,0]=4 6105 B16R0.221 COC(=O)CCCCCCOCCOCCO 34a_100009863599_100000692535 [0,2,0,0,0,0|2,0,0]=4 6106 B16R0.221 COC(=O)CCCCCCOCCOCCO 7a_100009863599_100011215305 [0,2,0,0,0,0|2,0,0]=4 6107 B16R0.221 COC(=O)CCCCCCSCCCCC#N 62a_100009815986_100000211819 [0,2,0,0,0,0|1,0,1]=4 6108 B16R0.221 COC(=O)CCCCCCSCCCCC#N 62a_100011219923_100009815986 [0,2,0,0,0,0|1,0,1]=4 6109 B16R0.221 COC(=O)CCCCCCSCCCCC=O 62a_100000139335_100009815986 [0,2,0,0,0,0|1,0,1]=4 6110 B16R0.221 COC(=O)CCCCCCSCCCCC=O 62a_100009815986_100000139335 [0,2,0,0,0,0|1,0,1]=4 6111 B16R0.221 COC(=O)CCCCCCSCCCCCF 62a_100000729378_100009815986 [0,2,0,0,0,0|0,1,0]=3 6112 B16R0.221 COC(=O)CCCCCCSCCCCCF 62a_100009815986_100000729378 [0,2,0,0,0,0|0,1,0]=3 6113 B16R0.221 COC(=O)CCCCCCSCCCCCO 62a_100000746330_100009815986 [0,2,0,0,0,0|1,0,0]=3 6114 B16R0.221 COC(=O)CCCCCCSCCCCCO 62a_100009815986_100000746330 [0,2,0,0,0,0|1,0,0]=3 6115 B16R0.221 COC(=O)CCCCCCSCCOCCO 62a_100009815986_100011215305 [0,2,0,0,0,0|2,0,0]=4 6116 B16R0.221 COC(=O)CCCCCCSCCOCCO 62a_100011215305_100009815986 [0,2,0,0,0,0|2,0,0]=4 6117 B16R0.221 COC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009816466 [0,2,0,0,0,0|1,0,0]=3 6118 B16R0.221 COC(=O)CCCCCNCCCCCCO 34a_100000686447_100009816466 [0,2,0,0,0,0|1,0,0]=3 6119 B16R0.221 COC(=O)CCCCCOCCCCCC#N 7a_100000074720_100009813376 [0,2,0,0,0,0|1,0,1]=4 6120 B16R0.221 COC(=O)CCCCCOCCCCCC=O 7a_100000074720_100000139337 [0,2,0,0,0,0|1,0,1]=4 6121 B16R0.221 COC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009816466 [0,2,0,0,0,0|0,0,0]=2 6122 B16R0.221 COC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009816466 [0,2,0,0,0,0|0,0,0]=2 6123 B16R0.221 COC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009816466 [0,2,0,0,0,0|0,1,0]=3 6124 B16R0.221 COC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009816466 [0,2,0,0,0,0|0,1,0]=3 6125 B16R0.221 COC(=O)CCCCCOCCCCCCF 34a_100000074720_100015922095 [0,2,0,0,0,0|0,1,0]=3 6126 B16R0.221 COC(=O)CCCCCOCCCCCCF 34a_100000732779_100009816466 [0,2,0,0,0,0|0,1,0]=3 6127 B16R0.221 COC(=O)CCCCCOCCCCCCF 7a_100000074720_100015922095 [0,2,0,0,0,0|0,1,0]=3 6128 B16R0.221 COC(=O)CCCCCOCCCCCCF 7a_100000732779_100009816466 [0,2,0,0,0,0|0,1,0]=3 6129 B16R0.221 COC(=O)CCCCCOCCCCCCN 34a_100000686447_100009816466 [0,2,0,0,0,0|1,0,0]=3 6130 B16R0.221 COC(=O)CCCCCOCCCCCCO 34a_100000074720_100000766143 [0,2,0,0,0,0|1,0,0]=3 6131 B16R0.221 COC(=O)CCCCCOCCCCCCO 7a_100000074720_100000766143 [0,2,0,0,0,0|1,0,0]=3 6132 B16R0.221 COC(=O)CCCCCSCCCCCC#N 62a_100009813376_100009816466 [0,2,0,0,0,0|1,0,1]=4 6133 B16R0.221 COC(=O)CCCCCSCCCCCC#N 62a_100009816466_100009813376 [0,2,0,0,0,0|1,0,1]=4 6134 B16R0.221 COC(=O)CCCCCSCCCCCC=O 62a_100000139337_100009816466 [0,2,0,0,0,0|1,0,1]=4 6135 B16R0.221 COC(=O)CCCCCSCCCCCC=O 62a_100009816466_100000139337 [0,2,0,0,0,0|1,0,1]=4 6136 B16R0.221 COC(=O)CCCCCSCCCCCCF 62a_100009816466_100015922095 [0,2,0,0,0,0|0,1,0]=3 6137 B16R0.221 COC(=O)CCCCCSCCCCCCF 62a_100015922095_100009816466 [0,2,0,0,0,0|0,1,0]=3 6138 B16R0.221 COC(=O)CCCCCSCCCCCCO 62a_100000766143_100009816466 [0,2,0,0,0,0|1,0,0]=3 6139 B16R0.221 COC(=O)CCCCCSCCCCCCO 62a_100009816466_100000766143 [0,2,0,0,0,0|1,0,0]=3 6140 B16R0.221 COC(=O)CCCCNCCCCCCCO 2230a_100011996573_100000204269 [0,2,0,0,0,0|1,0,0]=3 6141 B16R0.221 COC(=O)CCCCNCCCCCCCO 34a_100011996573_100000204269 [0,2,0,0,0,0|1,0,0]=3 6142 B16R0.221 COC(=O)CCCCNCCCOCCCO 2230a_100011310245_100000204269 [0,2,0,0,0,0|2,0,0]=4 6143 B16R0.221 COC(=O)CCCCNCCCOCCCO 34a_100011310245_100000204269 [0,2,0,0,0,0|2,0,0]=4 6144 B16R0.221 COC(=O)CCCCOCCCCCCC#N 7a_100000059025_100009813337 [0,2,0,0,0,0|1,0,1]=4 6145 B16R0.221 COC(=O)CCCCOCCCCCCCBr 34a_100000760002_100000204269 [0,2,0,0,0,0|0,0,0]=2 6146 B16R0.221 COC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000204269 [0,2,0,0,0,0|0,0,0]=2 6147 B16R0.221 COC(=O)CCCCOCCCCCCCN 34a_100011996573_100000204269 [0,2,0,0,0,0|1,0,0]=3 6148 B16R0.221 COC(=O)CCCCOCCCCCCCO 34a_100000059025_100000760002 [0,2,0,0,0,0|1,0,0]=3 6149 B16R0.221 COC(=O)CCCCOCCCCCCCO 7a_100000059025_100000760002 [0,2,0,0,0,0|1,0,0]=3 6150 B16R0.221 COC(=O)CCCCOCCCOCCCN 34a_100011310245_100000204269 [0,2,0,0,0,0|2,0,0]=4 6151 B16R0.221 COC(=O)CCCCSCCCCCCC#N 62a_100000204269_100009813337 [0,2,0,0,0,0|1,0,1]=4 6152 B16R0.221 COC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000204269 [0,2,0,0,0,0|1,0,1]=4 6153 B16R0.221 COC(=O)CCCCSCCCCCCCO 62a_100000204269_100000760002 [0,2,0,0,0,0|1,0,0]=3 6154 B16R0.221 COC(=O)CCCCSCCCCCCCO 62a_100000760002_100000204269 [0,2,0,0,0,0|1,0,0]=3 6155 B16R0.221 COC(=O)CCCNCCCCCCCCO 2230a_102515433106_100011218270 [0,2,0,0,0,0|1,0,0]=3 6156 B16R0.221 COC(=O)CCCNCCCCCCCCO 34a_102515433106_100000742333 [0,2,0,0,0,0|1,0,0]=3 6157 B16R0.221 COC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000742333 [0,2,0,0,0,0|0,0,0]=2 6158 B16R0.221 COC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011218270 [0,2,0,0,0,0|0,0,0]=2 6159 B16R0.221 COC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000742333 [0,2,0,0,0,0|0,1,0]=3 6160 B16R0.221 COC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011218270 [0,2,0,0,0,0|0,1,0]=3 6161 B16R0.221 COC(=O)CCCOCCCCCCCCN 34a_102515433106_100000742333 [0,2,0,0,0,0|1,0,0]=3 6162 B16R0.221 COC(=O)CCCOCCCCCNCCN 34a_103619048469_100000742333 [0,2,0,0,0,0|2,0,0]=4 6163 B16R0.221 COC(=O)CCCOCCOCCOCCBr 34a_100010132937_100000742333 [0,2,0,0,0,0|2,0,0]=4 6164 B16R0.221 COC(=O)CCCOCCOCCOCCBr 7a_100010132937_100011218270 [0,2,0,0,0,0|2,0,0]=4 6165 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100000033203_100011218270 [0,2,0,0,0,0|1,0,0]=3 6166 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100011218270_100000033203 [0,2,0,0,0,0|1,0,0]=3 6167 B16R0.221 COC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000204255 [0,2,0,0,0,0|1,0,0]=3 6168 B16R0.221 COC(=O)CCNCCCCCCCCCO 34a_100000078944_100000742370 [0,2,0,0,0,0|1,0,0]=3 6169 B16R0.221 COC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000742370 [0,2,0,0,0,0|0,0,0]=2 6170 B16R0.221 COC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000204255 [0,2,0,0,0,0|0,0,0]=2 6171 B16R0.221 COC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000742370 [0,2,0,0,0,0|0,1,0]=3 6172 B16R0.221 COC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000204255 [0,2,0,0,0,0|0,1,0]=3 6173 B16R0.221 COC(=O)CCOCCCCCCCCCN 34a_100000078944_100000742370 [0,2,0,0,0,0|1,0,0]=3 6174 B16R0.221 COC(=O)CCSCCCCCCCCCO 62a_100000204255_100009813782 [0,2,0,0,0,0|1,0,0]=3 6175 B16R0.221 COC(=O)CCSCCCCCCCCCO 62a_100009813782_100000204255 [0,2,0,0,0,0|1,0,0]=3 6176 B16R0.221 COC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747449 [0,2,0,0,0,0|1,0,0]=3 6177 B16R0.221 COC(=O)CNCCCCCCCCCCO 34a_100000066964_100000747449 [0,2,0,0,0,0|1,0,0]=3 6178 B16R0.221 COC(=O)COCCCCCCCCCCBr 34a_100009813290_100000747449 [0,2,0,0,0,0|0,0,0]=2 6179 B16R0.221 COC(=O)COCCCCCCCCCCBr 7a_100009813290_100000747449 [0,2,0,0,0,0|0,0,0]=2 6180 B16R0.221 COC(=O)COCCCCCCCCCCCl 34a_200000033068_100000747449 [0,2,0,0,0,0|0,1,0]=3 6181 B16R0.221 COC(=O)COCCCCCCCCCCCl 7a_200000033068_100000747449 [0,2,0,0,0,0|0,1,0]=3 6182 B16R0.221 COC(=O)COCCCCCCCCCCN 34a_100000066964_100000747449 [0,2,0,0,0,0|1,0,0]=3 6183 B16R0.221 COC(=O)COCCNCCCCCCCO 2230a_100011996573_100000090808 [0,2,0,0,0,0|2,0,0]=4 6184 B16R0.221 COC(=O)COCCNCCCCCCCO 34a_100011996573_100000090808 [0,2,0,0,0,0|2,0,0]=4 6185 B16R0.221 COC(=O)COCCOCCCCCCCBr 34a_100000760002_100000090808 [0,2,0,0,0,0|1,0,0]=3 6186 B16R0.221 COC(=O)COCCOCCCCCCCBr 7a_100000760002_100000090808 [0,2,0,0,0,0|1,0,0]=3 6187 B16R0.221 COC(=O)COCCOCCCCCCCN 34a_100011996573_100000090808 [0,2,0,0,0,0|2,0,0]=4 6188 B16R0.221 COC(=O)COCCSCCCCCCCO 62a_100000090808_100000760002 [0,2,0,0,0,0|2,0,0]=4 6189 B16R0.221 COC(=O)COCCSCCCCCCCO 62a_100000760002_100000090808 [0,2,0,0,0,0|2,0,0]=4 6190 B16R0.221 COC(=O)CSCCCCCCCCCCO 62a_100000747449_200000033068 [0,2,0,0,0,0|1,0,0]=3 6191 B16R0.221 COC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747449 [0,2,0,0,0,0|1,0,0]=3 6192 B16R0.221 COC(=O)NCCOCCCCCCCCO 34a_100000757965_100000033203 [0,2,0,0,0,0|2,0,0]=4 6193 B16R0.221 COC(=O)OCCOCCCCCCCCO 34a_100010262106_100000033203 [0,2,0,0,0,0|2,0,0]=4 6194 B16R0.221 COC(=O)OCSCCCCCCCCCO 62a_100009813782_100000139417 [0,2,0,0,0,0|2,0,0]=4 6195 B16R0.221 COCCCCCCCCCCCC(=O)OC 34a_100138415774_100010983606 [0,2,0,0,0,0|1,0,0]=3 6196 B16R0.221 COCCCCCCOCCCCC(=O)OC 34a_100000059025_100011998445 [0,2,0,0,0,0|2,0,0]=4 6197 B16R0.221 COCCCCCCOCCCCC(=O)OC 34a_200012092642_100000204269 [0,2,0,0,0,0|2,0,0]=4 6198 B16R0.221 COCCCCCCOCCCCC(=O)OC 7a_100000059025_100011998445 [0,2,0,0,0,0|2,0,0]=4 6199 B16R0.221 COCCCCCCOCCCCC(=O)OC 7a_200012092642_100000204269 [0,2,0,0,0,0|2,0,0]=4 6200 B16R0.221 COCCCCCCSCCCCC(=O)OC 62a_100000204269_100011998445 [0,2,0,0,0,0|2,0,0]=4 6201 B16R0.221 COCCCCCCSCCCCC(=O)OC 62a_100011998445_100000204269 [0,2,0,0,0,0|2,0,0]=4 6202 B16R0.221 COCCCCCNCCCCCC(=O)OC 2230a_100000747528_100009816466 [0,2,0,0,0,0|2,0,0]=4 6203 B16R0.221 COCCCCCNCCCCCC(=O)OC 34a_100000747528_100009816466 [0,2,0,0,0,0|2,0,0]=4 6204 B16R0.221 COCCCCOCCCCCCC(=O)OC 34a_100000740925_100009815986 [0,2,0,0,0,0|2,0,0]=4 6205 B16R0.221 COCCCCOCCCCCCC(=O)OC 34a_100009863599_100000755781 [0,2,0,0,0,0|2,0,0]=4 6206 B16R0.221 COCCCCOCCCCCCC(=O)OC 7a_100009863599_100000730899 [0,2,0,0,0,0|2,0,0]=4 6207 B16R0.221 COCCCCSCCCCCCC(=O)OC 62a_100000730899_100009815986 [0,2,0,0,0,0|2,0,0]=4 6208 B16R0.221 COCCCCSCCCCCCC(=O)OC 62a_100009815986_100000730899 [0,2,0,0,0,0|2,0,0]=4 6209 B16R0.221 COCCCNCCCCCCCC(=O)OC 34a_100150723488_100010004213 [0,2,0,0,0,0|2,0,0]=4 6210 B16R0.221 COCCCOCCCCCCCC(=O)OC 34a_100000740835_100010004213 [0,2,0,0,0,0|2,0,0]=4 6211 B16R0.221 COCCCOCCCCCCCC(=O)OC 34a_100011022521_100000740836 [0,2,0,0,0,0|2,0,0]=4 6212 B16R0.221 COCCCOCCCCCCCC(=O)OC 7a_100011022521_100000740836 [0,2,0,0,0,0|2,0,0]=4 6213 B16R0.221 COCCCSCCCCCCCC(=O)OC 62a_100000709357_100010004213 [0,2,0,0,0,0|2,0,0]=4 6214 B16R0.221 COCCCSCCCCCCCC(=O)OC 62a_100010004213_100000709357 [0,2,0,0,0,0|2,0,0]=4 6215 B16R0.221 COCCNCCCCCCCCC(=O)OC 2230a_100000209980_100010282707 [0,2,0,0,0,0|2,0,0]=4 6216 B16R0.221 COCCOCCCCCCCCC(=O)OC 34a_100000035544_100011201679 [0,2,0,0,0,0|2,0,0]=4 6217 B16R0.221 COCCOCCCCCCCCC(=O)OC 34a_100000210237_100010282707 [0,2,0,0,0,0|2,0,0]=4 6218 B16R0.221 COCCOCCCCCCCCC(=O)OC 7a_100000035544_100000233755 [0,2,0,0,0,0|2,0,0]=4 6219 B16R0.221 COCCSCCCCCCCCC(=O)OC 62a_100000233755_100010282707 [0,2,0,0,0,0|2,0,0]=4 6220 B16R0.221 COCCSCCCCCCCCC(=O)OC 62a_100010282707_100000233755 [0,2,0,0,0,0|2,0,0]=4 6221 B16R0.221 COCSCCCCCCCCCC(=O)OC 62a_100000766300_100009813843 [0,2,0,0,0,0|2,0,0]=4 6222 B16R0.221 C[C@@H](CO)COCCCCCCCCCCBr 34a_100009813290_100000059175 [0,2,0,0,0,0|1,0,1]=4 6223 B16R0.221 C[C@@H](CO)COCCCCCCCCCCBr 7a_100009813290_100000059175 [0,2,0,0,0,0|1,0,1]=4 6224 B16R0.221 NC(=NO)CCOCCCCCCCCCO 34a_100000749954_100009813782 [0,2,0,0,0,0|2,0,0]=4 6225 B16R0.221 NNC(=O)CCCOCCCCCCCCO 34a_100000211488_100000033203 [0,2,0,0,0,0|2,0,0]=4 6226 B16R0.221 O=C(CO)CCCCCCCCCCCCO 1458a_100000210174_100009813331 [0,2,0,0,0,0|1,0,0]=3 6227 B16R0.221 O=C(CO)CCCCCCOCCCCCO 1458a_100000210174_200132310570 [0,2,0,0,0,0|1,0,0]=3 6228 B16R0.221 OCC(O)COCCCCCCCCCCBr 34a_100009813290_100011219619 [0,2,0,0,0,0|0,0,2]=4 6229 B16R0.221 OCC(O)COCCCCCCCCCCBr 7a_100009813290_100011219619 [0,2,0,0,0,0|0,0,2]=4 6230 B16R0.221 OC[C@H](O)COCCCCCCCCCCBr 34a_100009813290_100009815848 [0,2,0,0,0,0|0,0,2]=4 6231 B16R0.221 OC[C@H](O)COCCCCCCCCCCBr 7a_100009813290_100009815848 [0,2,0,0,0,0|0,0,2]=4 6232 B16R0.221 O[C@@H](CF)COCCCCCCCCCCBr 34a_100009813290_100015614560 [0,2,0,0,0,0|1,0,1]=4 6233 B16R0.221 O[C@@H](CF)COCCCCCCCCCCBr 7a_100009813290_100015614560 [0,2,0,0,0,0|1,0,1]=4 6234 B16R0.224 C=C(C)C(=O)CCCCCCCCCCCO 1458a_100000185857_100009812471 [0,2,0,0,0,0|2,0,0]=4 6235 B16R0.224 C=CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011093070 [0,2,0,0,0,0|1,0,1]=4 6236 B16R0.224 C=CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011093070 [0,2,0,0,0,0|1,0,1]=4 6237 B16R0.224 C=CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011093070 [0,2,0,0,0,0|1,0,1]=4 6238 B16R0.224 C=CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814027 [0,2,0,0,0,0|1,0,1]=4 6239 B16R0.224 C=CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011933949 [0,2,0,0,0,0|1,0,1]=4 6240 B16R0.224 C=CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011933949 [0,2,0,0,0,0|1,0,1]=4 6241 B16R0.224 CC(=O)C(=O)COCCCCCCCCCBr 34a_100009813782_100011261029 [0,2,0,0,0,0|1,0,1]=4 6242 B16R0.224 CC(=O)C(C)COCCCCCCCCCO 34a_100000032740_100009813782 [0,2,0,0,0,0|2,0,0]=4 6243 B16R0.224 CC(=O)C(C)COCCCCCCCCCO 7a_100000032740_100009813782 [0,2,0,0,0,0|2,0,0]=4 6244 B16R0.224 CC(=O)C(C)NCCCCCCCCCCO 2230a_100000066964_100009814033 [0,2,0,0,0,0|2,0,0]=4 6245 B16R0.224 CC(=O)C(C)OCCCCCCCCCCBr 7a_100009813290_100000179758 [0,2,0,0,0,0|1,0,0]=3 6246 B16R0.224 CC(=O)C(C)OCCCCCCCCCCCl 7a_200000033068_100000179758 [0,2,0,0,0,0|1,1,0]=4 6247 B16R0.224 CC(=O)C(C)OCCCCCCCCCCO 34a_100000212229_100009813290 [0,2,0,0,0,0|2,0,0]=4 6248 B16R0.224 CC(=O)C(C)SCCCCCCCCCCO 62a_100009813290_100009814033 [0,2,0,0,0,0|2,0,0]=4 6249 B16R0.224 CC(=O)C(C)SCCCCCCCCCCO 62a_100009814033_200000033068 [0,2,0,0,0,0|2,0,0]=4 6250 B16R0.224 CC(C)C(=O)CCCCCCCCCCCO 1458a_100000210198_100009812471 [0,2,0,0,0,0|2,0,0]=4 6251 B16R0.224 CC(C)C(=O)COCCCCCCCCCBr 34a_100009813782_100000753385 [0,2,0,0,0,0|2,0,0]=4 6252 B16R0.224 CC(C)C(=O)COCCCCCCCCCBr 7a_100009813782_100000753385 [0,2,0,0,0,0|2,0,0]=4 6253 B16R0.224 CC(CNCCCCCCCCCO)C(=O)O 269956a_100000749485_100009813782 [0,2,0,0,0,0|1,0,0]=3 6254 B16R0.224 CC(F)C(=O)CCCCCCCCCCCO 1458a_100000062450_100009812471 [0,2,0,0,0,0|2,0,0]=4 6255 B16R0.224 CC(NCCCCCCCCCCO)C(=O)N 2230a_100000066964_100000702099 [0,2,0,0,0,0|2,0,0]=4 6256 B16R0.224 CC(NCCCCCCCCCCO)C(=O)N 34a_100000066964_100000702099 [0,2,0,0,0,0|2,0,0]=4 6257 B16R0.224 CC(OCCCCCCCCCCBr)C(=O)N 34a_100009813290_100000702099 [0,2,0,0,0,0|1,0,0]=3 6258 B16R0.224 CC(OCCCCCCCCCCBr)C(=O)N 7a_100009813290_100000702099 [0,2,0,0,0,0|1,0,0]=3 6259 B16R0.224 CC(OCCCCCCCCCCCl)C(=O)N 34a_200000033068_100000702099 [0,2,0,0,0,0|1,1,0]=4 6260 B16R0.224 CC(OCCCCCCCCCCCl)C(=O)N 7a_200000033068_100000702099 [0,2,0,0,0,0|1,1,0]=4 6261 B16R0.224 CC(OCCCCCCCCCCN)C(=O)N 34a_100000066964_100000702099 [0,2,0,0,0,0|2,0,0]=4 6262 B16R0.224 CC(SCCCCCCCCCCO)C(=O)N 62a_100000702099_200000033068 [0,2,0,0,0,0|2,0,0]=4 6263 B16R0.224 CC(SCCCCCCCCCCO)C(=O)N 62a_100009813290_100000702099 [0,2,0,0,0,0|2,0,0]=4 6264 B16R0.224 CCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000759014 [0,2,0,0,0,0|1,0,0]=3 6265 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100011215791 [0,2,0,0,0,0|2,0,0]=4 6266 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100011215791 [0,2,0,0,0,0|2,0,0]=4 6267 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100011215791 [0,2,0,0,0,0|2,0,0]=4 6268 B16R0.224 CCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000759014 [0,2,0,0,0,0|1,0,0]=3 6269 B16R0.224 CCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000759014 [0,2,0,0,0,0|1,0,0]=3 6270 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 11a_100000227908_100015343762 [0,2,0,0,0,0|2,0,0]=4 6271 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 1626a_100000227908_100015343762 [0,2,0,0,0,0|2,0,0]=4 6272 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 240690a_100000227908_100015343762 [0,2,0,0,0,0|2,0,0]=4 6273 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 527a_100000227908_100103153847 [0,2,0,0,0,0|2,0,0]=4 6274 B16R0.224 CCCCCCCCCCCNC(=O)C(O)O 240690a_200011215754_100000233687 [0,2,0,0,0,0|2,0,0]=4 6275 B16R0.224 CCCCCCCCCCCNC(=O)[C@@H](C)O 240690a_200011215754_100000717761 [0,2,0,0,0,0|2,0,0]=4 6276 B16R0.224 CCCCCCCCCCCNC(=O)[C@H](C)O 1626a_200011215754_217856618621 [0,2,0,0,0,0|2,0,0]=4 6277 B16R0.224 CCCCCCCCCCCNC(=O)[C@H](C)O 240690a_200011215754_217856618621 [0,2,0,0,0,0|2,0,0]=4 6278 B16R0.224 CCCCCCCCCCCNC(C)C(=O)C 2230a_200011215754_100009814033 [0,2,0,0,0,0|2,0,0]=4 6279 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 2230a_200011215754_100000702099 [0,2,0,0,0,0|2,0,0]=4 6280 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 34a_200011215754_100000702099 [0,2,0,0,0,0|2,0,0]=4 6281 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 2230a_200011215754_100009813875 [0,2,0,0,0,0|2,0,0]=4 6282 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 34a_200011215754_100009813875 [0,2,0,0,0,0|2,0,0]=4 6283 B16R0.224 CCCCCCCCCCCNC(F)C(=O)[O-] 34a_200011215754_100020610796 [0,2,0,0,0,0|1,0,1]=4 6284 B16R0.224 CCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215454 [0,2,0,0,0,0|1,0,0]=3 6285 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215454 [0,2,0,0,0,0|2,0,0]=4 6286 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215454 [0,2,0,0,0,0|2,0,0]=4 6287 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011215454 [0,2,0,0,0,0|2,0,0]=4 6288 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 7a_100000210809_100000179758 [0,2,0,0,0,0|2,0,0]=4 6289 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 34a_100000210809_100000702099 [0,2,0,0,0,0|2,0,0]=4 6290 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 7a_100000210809_100000702099 [0,2,0,0,0,0|2,0,0]=4 6291 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 34a_100000210809_100009813875 [0,2,0,0,0,0|2,0,0]=4 6292 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 7a_100000210809_100009813875 [0,2,0,0,0,0|2,0,0]=4 6293 B16R0.224 CCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210809_100020610796 [0,2,0,0,0,0|1,0,1]=4 6294 B16R0.224 CCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215454 [0,2,0,0,0,0|1,0,1]=4 6295 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215454 [0,2,0,0,0,0|2,0,0]=4 6296 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215454 [0,2,0,0,0,0|2,0,0]=4 6297 B16R0.224 CCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100011215454 [0,2,0,0,0,0|2,0,0]=4 6298 B16R0.224 CCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100011215454 [0,2,0,0,0,0|2,0,0]=4 6299 B16R0.224 CCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215454 [0,2,0,0,0,0|1,0,1]=4 6300 B16R0.224 CCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210320 [0,2,0,0,0,0|1,0,0]=3 6301 B16R0.224 CCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210320 [0,2,0,0,0,0|1,0,0]=3 6302 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210320 [0,2,0,0,0,0|2,0,0]=4 6303 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210320 [0,2,0,0,0,0|2,0,0]=4 6304 B16R0.224 CCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210320 [0,2,0,0,0,0|2,0,0]=4 6305 B16R0.224 CN(C)C(=O)CCCCCCCCCCCO 240690a_100102631434_100000037981 [0,2,0,0,0,0|2,0,0]=4 6306 B16R0.224 CN(C)C(=O)CCCCOCCCCCCBr 34a_100011215345_100000752486 [0,2,0,0,0,0|2,0,0]=4 6307 B16R0.224 CN(C)C(=O)CCCCOCCCCCCBr 7a_100011215345_100000752486 [0,2,0,0,0,0|2,0,0]=4 6308 B16R0.224 CN(C)C(=O)CCCOCCCCCCCBr 7a_100000760002_100000737642 [0,2,0,0,0,0|2,0,0]=4 6309 B16R0.224 CN(C)C(=O)CCOCCCCCCCCBr 7a_100009813846_100000737620 [0,2,0,0,0,0|2,0,0]=4 6310 B16R0.224 CN(C)C(=O)COCCCCCCCCCBr 34a_100009813782_100000692301 [0,2,0,0,0,0|2,0,0]=4 6311 B16R0.224 CN(C)C(=O)COCCCCCCCCCBr 7a_100009813782_100000692301 [0,2,0,0,0,0|2,0,0]=4 6312 B16R0.224 C[C@@H](NCCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813290 [0,2,0,0,0,0|2,0,0]=4 6313 B16R0.224 C[C@@H](NCCCCCCCCCCO)C(=O)N 34a_100000119354_100009813290 [0,2,0,0,0,0|2,0,0]=4 6314 B16R0.224 C[C@@H](O)C(=O)CCCCCCCCCCCO 1458a_100000717761_100009812471 [0,2,0,0,0,0|1,0,0]=3 6315 B16R0.224 C[C@@H](O)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000717761 [0,2,0,0,0,0|2,0,0]=4 6316 B16R0.224 C[C@@H](OCCCCCCCCCCO)C(=O)N 34a_100000731257_100009813290 [0,2,0,0,0,0|2,0,0]=4 6317 B16R0.224 C[C@@H](OCCCCCCCCCCO)C(=O)N 7a_100000731257_100009813290 [0,2,0,0,0,0|2,0,0]=4 6318 B16R0.224 C[C@H](NCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813290 [0,2,0,0,0,0|1,0,0]=3 6319 B16R0.224 C[C@H](O)C(=O)CCCCCCCCCCCO 1458a_217856618621_100009812471 [0,2,0,0,0,0|1,0,0]=3 6320 B16R0.224 C[C@H](O)C(=O)NCCCCCCCCCCO 240690a_100000066964_217856618621 [0,2,0,0,0,0|2,0,0]=4 6321 B16R0.224 C[C@H](OCCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813290 [0,2,0,0,0,0|1,0,1]=4 6322 B16R0.224 NC(=O)C(F)NCCCCCCCCCCO 2230a_100000066964_100009813875 [0,2,0,0,0,0|2,0,0]=4 6323 B16R0.224 NC(=O)C(F)NCCCCCCCCCCO 34a_100000066964_100009813875 [0,2,0,0,0,0|2,0,0]=4 6324 B16R0.224 NC(=O)C(F)OCCCCCCCCCCBr 34a_100009813290_100009813875 [0,2,0,0,0,0|1,0,0]=3 6325 B16R0.224 NC(=O)C(F)OCCCCCCCCCCBr 7a_100009813290_100009813875 [0,2,0,0,0,0|1,0,0]=3 6326 B16R0.224 NC(=O)C(F)OCCCCCCCCCCCl 34a_200000033068_100009813875 [0,2,0,0,0,0|1,1,0]=4 6327 B16R0.224 NC(=O)C(F)OCCCCCCCCCCCl 7a_200000033068_100009813875 [0,2,0,0,0,0|1,1,0]=4 6328 B16R0.224 NC(=O)C(F)SCCCCCCCCCCO 62a_100009813290_100009813875 [0,2,0,0,0,0|2,0,0]=4 6329 B16R0.224 NC(=O)C(F)SCCCCCCCCCCO 62a_100009813875_200000033068 [0,2,0,0,0,0|2,0,0]=4 6330 B16R0.224 NC(=O)[C@@H](N)COCCCCCCCCCO 34a_100000729942_100009813782 [0,2,0,0,0,0|2,0,0]=4 6331 B16R0.224 NCCCCCCCCCCOC(F)C(=O)N 34a_100000066964_100009813875 [0,2,0,0,0,0|2,0,0]=4 6332 B16R0.224 NCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000066964_100020610796 [0,2,0,0,0,0|1,0,1]=4 6333 B16R0.224 O=C(CCCCCCCCCCCO)C(O)O 1458a_100000233687_100009812471 [0,2,0,0,0,0|1,0,0]=3 6334 B16R0.224 O=C(NCCCCCCCCCCO)C(O)O 240690a_100000066964_100000233687 [0,2,0,0,0,0|2,0,0]=4 6335 B16R0.224 O=C(O)C(F)CNCCCCCCCCCO 269956a_100000084737_100009813782 [0,2,0,0,0,0|1,0,0]=3 6336 B16R0.224 O=C([O-])C(F)NCCCCCCCCCCO 34a_100000066964_100020610796 [0,2,0,0,0,0|1,0,1]=4 6337 B16R0.224 O=C([O-])C(F)OCCCCCCCCCCBr 34a_100009813290_100020610796 [0,2,0,0,0,0|0,0,1]=3 6338 B16R0.224 O=C([O-])C(F)OCCCCCCCCCCCl 34a_200000033068_100020610796 [0,2,0,0,0,0|0,1,1]=4 6339 B16R0.224 O=C([O-])C(F)SCCCCCCCCCCO 62a_100009813290_100020610796 [0,2,0,0,0,0|1,0,1]=4 6340 B16R0.224 O=C([O-])C(F)SCCCCCCCCCCO 62a_100020610796_200000033068 [0,2,0,0,0,0|1,0,1]=4 6341 B16R0.806 CCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210303 [0,2,0,0,0,0|1,0,1]=4 6342 B16R0.806 CCCC(=O)CCCCCCCCC(=O)OC 1458a_100000211992_100010282707 [0,2,0,0,0,0|1,0,1]=4 6343 B16R0.806 CCCC(C)CCCOCCCCC(=O)OC 34a_100011713154_100000204269 [0,2,0,0,0,0|2,0,0]=4 6344 B16R0.806 CCCC(C)CCCOCCCCC(=O)OC 7a_100011713154_100000204269 [0,2,0,0,0,0|2,0,0]=4 6345 B16R0.806 CCCC(C)CCOCCCCCC(=O)OC 34a_100011217855_100009816466 [0,2,0,0,0,0|2,0,0]=4 6346 B16R0.806 CCCC(C)CCOCCCCCC(=O)OC 7a_100011217855_100009816466 [0,2,0,0,0,0|2,0,0]=4 6347 B16R0.806 CCCC(C)COCCCCCCC(=O)OC 34a_100000688023_100009815986 [0,2,0,0,0,0|2,0,0]=4 6348 B16R0.806 CCCC(C)COCCCCCCC(=O)OC 34a_100009863599_100011216630 [0,2,0,0,0,0|2,0,0]=4 6349 B16R0.806 CCCC(C)COCCCCCCC(=O)OC 7a_100000688023_100009815986 [0,2,0,0,0,0|2,0,0]=4 6350 B16R0.806 CCCC(C)COCCCCCCC(=O)OC 7a_100009863599_100011216630 [0,2,0,0,0,0|2,0,0]=4 6351 B16R0.806 CCCC(C)CSCCCCCCC(=O)OC 62a_100009815986_100011216630 [0,2,0,0,0,0|2,0,0]=4 6352 B16R0.806 CCCC(C)CSCCCCCCC(=O)OC 62a_100011216630_100009815986 [0,2,0,0,0,0|2,0,0]=4 6353 B16R0.806 CCCC(C)NCCCCCCCC(=O)OC 2230a_100000741246_100010004213 [0,2,0,0,0,0|2,0,0]=4 6354 B16R0.806 CCCC(C)OCCCCCCCC(=O)OC 34a_100000764384_100010004213 [0,2,0,0,0,0|2,0,0]=4 6355 B16R0.806 CCCC(C)OCCCCCCCC(=O)OC 34a_100011022521_100000766640 [0,2,0,0,0,0|2,0,0]=4 6356 B16R0.806 CCCC(C)OCCCCCCCC(=O)OC 7a_100000764384_100010004213 [0,2,0,0,0,0|2,0,0]=4 6357 B16R0.806 CCCC(C)OCCCCCCCC(=O)OC 7a_100011022521_100000766640 [0,2,0,0,0,0|2,0,0]=4 6358 B16R0.806 CCCC(C)SCCCCCCCC(=O)OC 62a_100000766640_100010004213 [0,2,0,0,0,0|2,0,0]=4 6359 B16R0.806 CCCC(C)SCCCCCCCC(=O)OC 62a_100010004213_100000766640 [0,2,0,0,0,0|2,0,0]=4 6360 B16R0.806 CCCN(C)CCCCCCCCC(=O)OC 2230a_100000747261_100010282707 [0,2,0,0,0,0|2,0,0]=4 6361 B16R0.806 CCCN(C)CCCCCCCCC(=O)OC 269982a_100000747261_100010282707 [0,2,0,0,0,0|2,0,0]=4 6362 B16R0.806 CCC[C@H](N)CCOCCCCCC(=O)OC 34a_100015193777_100009816466 [0,2,0,0,0,0|2,0,0]=4 6363 B16R0.806 CCC[C@H](N)COCCCCCCC(=O)OC 34a_100000732646_100009815986 [0,2,0,0,0,0|2,0,0]=4 6364 B16R0.806 COC(=O)CCCCCCCCC(=O)CCF 1458a_100000036616_100011217306 [0,2,0,0,0,0|0,1,1]=4 6365 B16R0.806 COC(=O)CCCCCCCCC(=O)CCO 1458a_100000036616_100000211926 [0,2,0,0,0,0|1,0,1]=4 6366 B16R0.806 COC(=O)CCCCCCCCC(=O)CCO 1458a_100011216618_100010282707 [0,2,0,0,0,0|1,0,1]=4 6367 B16R0.806 COC(=O)CCCCCCCCN(C)CCO 2230a_100000210263_100010282707 [0,2,0,0,0,0|2,0,0]=4 6368 B16R0.806 COC(=O)CCCCCCCCN(C)CCO 269982a_100000210263_100010282707 [0,2,0,0,0,0|2,0,0]=4 6369 B16R0.806 COC(=O)CCCCCCCN[C@H](C)CCO 2230a_100000706166_100010004213 [0,2,0,0,0,0|2,0,0]=4 6370 B16R0.806 COC(=O)CCCCCCCN[C@H](C)CCO 34a_100000706166_100010004213 [0,2,0,0,0,0|2,0,0]=4 6371 B16R0.806 COC(=O)CCCCCCCOC(C)CCBr 34a_100012276601_100010004213 [0,2,0,0,0,0|1,0,0]=3 6372 B16R0.806 COC(=O)CCCCCCCOC(C)CCO 34a_100011022521_100009893172 [0,2,0,0,0,0|2,0,0]=4 6373 B16R0.806 COC(=O)CCCCCCCOC(C)CCO 7a_100011022521_100009893172 [0,2,0,0,0,0|2,0,0]=4 6374 B16R0.806 COC(=O)CCCCCCCSC(C)CCO 62a_100009893172_100010004213 [0,2,0,0,0,0|2,0,0]=4 6375 B16R0.806 COC(=O)CCCCCCCSC(C)CCO 62a_100010004213_100009893172 [0,2,0,0,0,0|2,0,0]=4 6376 B16R0.806 COC(=O)CCCCCCOCC(C)CCN 34a_106354213184_100009815986 [0,2,0,0,0,0|2,0,0]=4 6377 B16R0.1817 CCCCCCCCC(=O)CCCC(=O)OC 1458a_100000210188_100011218270 [0,2,0,0,0,0|1,0,1]=4 6378 B16R0.1817 CCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210759 [0,2,0,0,0,0|1,0,1]=4 6379 B16R0.1817 CCCCCCCCC(C)COCC(=O)OC 34a_200012125181_100000747449 [0,2,0,0,0,0|2,0,0]=4 6380 B16R0.1817 CCCCCCCCC(C)COCC(=O)OC 7a_200012125181_100000747449 [0,2,0,0,0,0|2,0,0]=4 6381 B16R0.1817 CCCCCCCCC(C)OCCC(=O)OC 34a_100000210740_100000742370 [0,2,0,0,0,0|2,0,0]=4 6382 B16R0.1817 CCCCCCCCC(C)OCCC(=O)OC 7a_100000210740_100000204255 [0,2,0,0,0,0|2,0,0]=4 6383 B16R0.1817 CCCCCCCCN(C)CCCC(=O)OC 2230a_100000207567_100011218270 [0,2,0,0,0,0|2,0,0]=4 6384 B16R0.1817 CCCCCCCCN(C)CCCC(=O)OC 269982a_100000207567_100011218270 [0,2,0,0,0,0|2,0,0]=4 6385 B16R0.1817 CCCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210759 [0,2,0,0,0,0|2,0,0]=4 6386 B16R0.1817 COC(=O)CCCC(=O)CCCCCCCO 1458a_100000239890_100000760002 [0,2,0,0,0,0|1,0,1]=4 6387 B16R0.1817 COC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100011218270 [0,2,0,0,0,0|1,0,1]=4 6388 B16R0.1817 COC(=O)CCCN(C)CCCCCCCO 269982a_100000739225_100000760002 [0,2,0,0,0,0|2,0,0]=4 6389 B16R0.3257 CCCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210326 [0,2,0,0,0,0|1,0,1]=4 6390 B16R0.3257 CCCCCC(=O)CCCCCCC(=O)OC 1458a_100000212188_100009815986 [0,2,0,0,0,0|1,0,1]=4 6391 B16R0.3257 CCCCCC(C)NCCCCCC(=O)OC 2230a_100000211957_100009816466 [0,2,0,0,0,0|2,0,0]=4 6392 B16R0.3257 CCCCCC(C)OCCCCCC(=O)OC 34a_100000074720_200011218191 [0,2,0,0,0,0|2,0,0]=4 6393 B16R0.3257 CCCCCC(C)OCCCCCC(=O)OC 34a_100011215632_100009816466 [0,2,0,0,0,0|2,0,0]=4 6394 B16R0.3257 CCCCCC(C)OCCCCCC(=O)OC 7a_100000074720_200011218191 [0,2,0,0,0,0|2,0,0]=4 6395 B16R0.3257 CCCCCC(C)OCCCCCC(=O)OC 7a_100011215632_100009816466 [0,2,0,0,0,0|2,0,0]=4 6396 B16R0.3257 CCCCCC(C)SCCCCCC(=O)OC 62a_100009816466_200011218191 [0,2,0,0,0,0|2,0,0]=4 6397 B16R0.3257 CCCCCC(C)SCCCCCC(=O)OC 62a_200011218191_100009816466 [0,2,0,0,0,0|2,0,0]=4 6398 B16R0.3257 CCCCCN(C)CCCCCCC(=O)OC 2230a_100000223495_100009815986 [0,2,0,0,0,0|2,0,0]=4 6399 B16R0.3257 CCCCCN(C)CCCCCCC(=O)OC 269982a_100000223495_100009815986 [0,2,0,0,0,0|2,0,0]=4 6400 B16R0.3257 COC(=O)CCCCCCC(=O)CCCCF 1458a_100000036694_100000729493 [0,2,0,0,0,0|0,1,1]=4 6401 B16R0.3257 COC(=O)CCCCCCC(=O)CCCCO 1458a_100000036694_100000210776 [0,2,0,0,0,0|1,0,1]=4 6402 B16R0.3257 COC(=O)CCCCCCC(=O)CCCCO 1458a_100000695505_100009815986 [0,2,0,0,0,0|1,0,1]=4 6403 B16R0.3257 COC(=O)CCCCCCN(C)CCCCO 2230a_100000717598_100009815986 [0,2,0,0,0,0|2,0,0]=4 6404 B16R0.3257 COC(=O)CCCCCCN(C)CCCCO 269982a_100000717598_100009815986 [0,2,0,0,0,0|2,0,0]=4 6405 B16R0.3257 COC(=O)CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000204269 [0,2,0,0,0,0|2,0,0]=4 6406 B16R0.6606 CCCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210670 [0,2,0,0,0,0|1,0,1]=4 6407 B16R0.6606 CCCCCCCCCC(C)OCC(=O)OC 34a_100011218016_100000747449 [0,2,0,0,0,0|2,0,0]=4 6408 B16R0.6606 CCCCCCCCCC(C)OCC(=O)OC 7a_100011218016_100000747449 [0,2,0,0,0,0|2,0,0]=4 6409 B16R0.6606 CCCCCCCCCN(C)CCC(=O)OC 2230a_100000232482_100000204255 [0,2,0,0,0,0|2,0,0]=4 6410 B16R0.6606 CCCCCCCCCN(C)CCC(=O)OC 269982a_100000232482_100000204255 [0,2,0,0,0,0|2,0,0]=4 6411 B16R0.6606 CCCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210670 [0,2,0,0,0,0|2,0,0]=4 6412 B16R0.6606 COC(=O)CCC(=O)CCCCCCCCO 1458a_100000187943_100000033203 [0,2,0,0,0,0|1,0,1]=4 6413 B16R0.6606 COC(=O)CCC(=O)COCCCCCCBr 34a_100011215345_100000691467 [0,2,0,0,0,0|1,0,1]=4 6414 B16R0.6606 COC(=O)CCC(=O)COCCCCCCBr 7a_100011215345_100000691467 [0,2,0,0,0,0|1,0,1]=4 6415 B16R0.6606 COC(=O)CCN(C)CCCCCCCCO 269982a_100025711912_100000033203 [0,2,0,0,0,0|2,0,0]=4 6416 B16R0.223 CC(=O)C(C)(C)OCCCCCCCCCBr 7a_100009813782_100000075568 [0,2,0,0,0,0|2,0,0]=4 6417 B16R0.223 CC(C)(CNCCCCCCCCO)C(=O)O 269956a_100000693527_100000033203 [0,2,0,0,0,0|2,0,0]=4 6418 B16R0.223 CC(C)(COCCCCCCCCBr)C(=O)N 34a_100009813846_200009895572 [0,2,0,0,0,0|2,0,0]=4 6419 B16R0.223 CC(C)(OCCCCCCCCCBr)C(=O)N 34a_100009813782_100000702505 [0,2,0,0,0,0|2,0,0]=4 6420 B16R0.223 CC(C)(OCCCCCCCCCBr)C(=O)N 7a_100009813782_100000702505 [0,2,0,0,0,0|2,0,0]=4 6421 B16R0.223 CCCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210670 [0,2,0,0,0,0|2,0,0]=4 6422 B16R0.223 CCCCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210670 [0,2,0,0,0,0|2,0,0]=4 6423 B16R0.223 NC(=O)C(F)(F)OCCCCCCCCCBr 7a_100009813782_100009811971 [0,2,0,0,0,0|2,0,0]=4 6424 B16R0.223 O=C(O)C(F)(F)CNCCCCCCCCO 269956a_100000734215_100000033203 [0,2,0,0,0,0|2,0,0]=4 6425 B16R0.223 O=C([O-])C(F)(F)OCCCCCCCCCBr 34a_100009813782_100020612412 [0,2,0,0,0,0|1,0,1]=4 6426 B16R0.656 C=C[C@H](NCCCCCCCCCC)C(=O)O 269956a_100016992060_100000210320 [0,2,0,0,0,0|2,0,0]=4 6427 B16R0.656 C=C[C@H](NCCCCCCCCCO)C(=O)O 269956a_100016992060_100009813782 [0,2,0,0,0,0|2,0,0]=4 6428 B16R0.656 CCC(OCCCCCCCCCBr)C(=O)N 34a_100009813782_100000750255 [0,2,0,0,0,0|2,0,0]=4 6429 B16R0.656 CCC(OCCCCCCCCCBr)C(=O)N 7a_100009813782_100000750255 [0,2,0,0,0,0|2,0,0]=4 6430 B16R0.656 CCCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210320 [0,2,0,0,0,0|2,0,0]=4 6431 B16R0.656 CCCCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210320 [0,2,0,0,0,0|2,0,0]=4 6432 B16R0.656 CC[C@@H](NCCCCCCCCCO)C(=O)O 269956a_100000747097_100009813782 [0,2,0,0,0,0|2,0,0]=4 6433 B16R0.656 O=C(O)C(CO)NCCCCCCCCCO 269956a_100000187304_100009813782 [0,2,0,0,0,0|2,0,0]=4 6434 B16R0.3183 CC(=O)OCC(O)COCCCCCCCBr 34a_100000760002_200000139349 [0,2,0,0,0,0|2,0,0]=4 6435 B16R0.3183 CC(=O)OCC(O)COCCCCCCCBr 7a_100000760002_200000139349 [0,2,0,0,0,0|2,0,0]=4 6436 B16R0.3183 CC(=O)SCC(C)COCCCCCCCBr 34a_100000760002_200000116872 [0,2,0,0,0,0|2,0,0]=4 6437 B16R0.3183 CC(=O)SCC(C)COCCCCCCCBr 7a_100000760002_200000116872 [0,2,0,0,0,0|2,0,0]=4 6438 B16R0.3183 CCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210319 [0,2,0,0,0,0|2,0,0]=4 6439 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 34a_100011215000_100000187820 [0,2,0,0,0,0|2,0,0]=4 6440 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 7a_100011215000_100000187820 [0,2,0,0,0,0|2,0,0]=4 6441 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)[O-] 34a_100011215000_100020667443 [0,2,0,0,0,0|1,0,1]=4 6442 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)C 269982a_100000207566_100000053229 [0,2,0,0,0,0|2,0,0]=4 6443 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000207566_100000744528 [0,2,0,0,0,0|2,0,0]=4 6444 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210320 [0,2,0,0,0,0|2,0,0]=4 6445 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 269982a_100000207566_100000744528 [0,2,0,0,0,0|2,0,0]=4 6446 B16R0.3183 CN(CCCCCCCCCO)CCC(=O)N 2230a_100000730477_100009813782 [0,2,0,0,0,0|2,0,0]=4 6447 B16R0.3183 NC(=O)CCC(=O)CCCCCCCCCO 1458a_100011215257_100009813782 [0,2,0,0,0,0|2,0,0]=4 6448 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 34a_200011021034_100000685027 [0,2,0,0,0,0|2,0,0]=4 6449 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 7a_200011021034_100011215641 [0,2,0,0,0,0|2,0,0]=4 6450 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 34a_200011021034_100102525003 [0,2,0,0,0,0|2,0,0]=4 6451 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 7a_200011021034_100102525003 [0,2,0,0,0,0|2,0,0]=4 6452 B16R0.75 CCCCCCCC(C)N(C)CCCC(=O)O 269956a_100000719178_200011218727 [0,2,0,0,0,0|2,0,0]=4 6453 B16R0.1820 CC(=O)CCCCC(=O)CCCCCCCO 1458a_100011219782_100000735457 [0,2,0,0,0,0|2,0,0]=4 6454 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210188_100000735457 [0,2,0,0,0,0|2,0,0]=4 6455 B16R0.1820 CCCCCCCCC(C)COCCC(=O)C 7a_200012125181_100000053229 [0,2,0,0,0,0|2,0,0]=4 6456 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 34a_200012125181_100000731001 [0,2,0,0,0,0|2,0,0]=4 6457 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 7a_200012125181_100000744528 [0,2,0,0,0,0|2,0,0]=4 6458 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 34a_100000210740_100000685027 [0,2,0,0,0,0|2,0,0]=4 6459 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 7a_100000210740_100011215641 [0,2,0,0,0,0|2,0,0]=4 6460 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 34a_100000210740_100102525003 [0,2,0,0,0,0|2,0,0]=4 6461 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 7a_100000210740_100102525003 [0,2,0,0,0,0|2,0,0]=4 6462 B16R0.1820 CCCCCCCCN(C)CCCCC(=O)C 269982a_100000207567_100000735457 [0,2,0,0,0,0|2,0,0]=4 6463 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 34a_100011713154_100009817443 [0,2,0,0,0,0|2,0,0]=4 6464 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 7a_100011713154_100009817443 [0,2,0,0,0,0|2,0,0]=4 6465 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)N 1458a_100000211969_100009817443 [0,2,0,0,0,0|2,0,0]=4 6466 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210596 [0,2,0,0,0,0|2,0,0]=4 6467 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218727 [0,2,0,0,0,0|2,0,0]=4 6468 B16R0.114 CCCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218727 [0,2,0,0,0,0|2,0,0]=4 6469 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 34a_200011215852_100009817362 [0,2,0,0,0,0|2,0,0]=4 6470 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 7a_200011215852_100000735457 [0,2,0,0,0,0|2,0,0]=4 6471 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218727 [0,2,0,0,0,0|2,0,0]=4 6472 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218727 [0,2,0,0,0,0|2,0,0]=4 6473 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 2230a_100000228206_100009817443 [0,2,0,0,0,0|2,0,0]=4 6474 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 269982a_100000228206_100009817443 [0,2,0,0,0,0|2,0,0]=4 6475 B16R0.114 NC(=O)CCCCCC(=O)CCCCCCO 1458a_100011996774_100009817443 [0,2,0,0,0,0|2,0,0]=4 6476 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 34a_200011024964_100000685027 [0,2,0,0,0,0|2,0,0]=4 6477 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 7a_200011024964_100011215641 [0,2,0,0,0,0|2,0,0]=4 6478 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 34a_200011024964_100102525003 [0,2,0,0,0,0|2,0,0]=4 6479 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 7a_200011024964_100102525003 [0,2,0,0,0,0|2,0,0]=4 6480 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 2230a_100000210919_100009817443 [0,2,0,0,0,0|2,0,0]=4 6481 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 34a_100000210919_100009817443 [0,2,0,0,0,0|2,0,0]=4 6482 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000123541_100011215978 [0,2,0,0,0,0|2,0,0]=4 6483 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000210265_100009817443 [0,2,0,0,0,0|2,0,0]=4 6484 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000123541_100011215978 [0,2,0,0,0,0|2,0,0]=4 6485 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000210265_100009817443 [0,2,0,0,0,0|2,0,0]=4 6486 B16R0.177 CCCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100011215978 [0,2,0,0,0,0|1,0,1]=4 6487 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100009817443_100011215978 [0,2,0,0,0,0|2,0,0]=4 6488 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100011215978_100009817443 [0,2,0,0,0,0|2,0,0]=4 6489 B16R0.274 C#CCCCCCCCCCCOCC(=O)N 34a_100000054667_100000187820 [0,2,0,0,0,0|2,0,0]=4 6490 B16R0.274 C#CCCCCCCCCCCOCC(=O)N 7a_100000054667_100000187820 [0,2,0,0,0,0|2,0,0]=4 6491 B16R0.274 C#CCCCCCCCCCCOCC(=O)[O-] 34a_100000054667_100020667443 [0,2,0,0,0,0|1,0,1]=4 6492 B16R0.274 C#CCCCCCCCCCOCCC(=O)C 7a_100000034437_100000053229 [0,2,0,0,0,0|2,0,0]=4 6493 B16R0.274 C#CCCCCCCCCCOCCC(=O)N 34a_100000034437_100000731001 [0,2,0,0,0,0|2,0,0]=4 6494 B16R0.274 C#CCCCCCCCCCOCCC(=O)N 7a_100000034437_100000744528 [0,2,0,0,0,0|2,0,0]=4 6495 B16R0.274 C#CCCCCCCCCOCCCC(=O)C 34a_100000065265_100000685027 [0,2,0,0,0,0|2,0,0]=4 6496 B16R0.274 C#CCCCCCCCCOCCCC(=O)C 7a_100000065265_100011215641 [0,2,0,0,0,0|2,0,0]=4 6497 B16R0.274 C#CCCCCCCCCOCCCC(=O)N 34a_100000065265_100102525003 [0,2,0,0,0,0|2,0,0]=4 6498 B16R0.274 C#CCCCCCCCCOCCCC(=O)N 7a_100000065265_100102525003 [0,2,0,0,0,0|2,0,0]=4 6499 B16R0.274 C#CCCCCCCCNCCCCC(=O)N 34a_100000696515_100153394163 [0,2,0,0,0,0|2,0,0]=4 6500 B16R0.274 C#CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100153394163 [0,2,0,0,0,0|1,0,1]=4 6501 B16R0.274 C#CCCCCCCCOCCCCC(=O)C 34a_100000054614_100009817362 [0,2,0,0,0,0|2,0,0]=4 6502 B16R0.274 C#CCCCCCCCOCCCCC(=O)C 7a_100000054614_100000735457 [0,2,0,0,0,0|2,0,0]=4 6503 B16R0.274 C#CCCCCCCCOCCCCC(=O)N 34a_100012022536_100153394163 [0,2,0,0,0,0|2,0,0]=4 6504 B16R0.274 C#CCCCCCCCOCCCCC(=O)N 7a_100012022536_100153394163 [0,2,0,0,0,0|2,0,0]=4 6505 B16R0.274 C#CCCCCCCCSCCCCC(=O)C 62a_100000735457_100153394163 [0,2,0,0,0,0|2,0,0]=4 6506 B16R0.274 C#CCCCCCCCSCCCCC(=O)C 62a_100153394163_100000735457 [0,2,0,0,0,0|2,0,0]=4 6507 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 34a_100000123541_100012276617 [0,2,0,0,0,0|2,0,0]=4 6508 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 34a_100011217361_100009817443 [0,2,0,0,0,0|2,0,0]=4 6509 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 7a_100000123541_100012276617 [0,2,0,0,0,0|2,0,0]=4 6510 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 7a_100011217361_100009817443 [0,2,0,0,0,0|2,0,0]=4 6511 B16R0.274 C#CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012276617 [0,2,0,0,0,0|1,0,1]=4 6512 B16R0.274 C#CCCCCCCSCCCCCC(=O)N 62a_100009817443_100012276617 [0,2,0,0,0,0|2,0,0]=4 6513 B16R0.274 C#CCCCCCCSCCCCCC(=O)N 62a_100012276617_100009817443 [0,2,0,0,0,0|2,0,0]=4 6514 B16R0.274 C#CCNCCCCCCCCCCC(=O)N 34a_100000212058_200010167045 [0,2,0,0,0,0|2,0,0]=4 6515 B16R0.274 C#CCOCCCCCCCCCCC(=O)N 34a_100000210247_200010167045 [0,2,0,0,0,0|2,0,0]=4 6516 B16R0.274 C#CCSCCCCCCCCCCC(=O)N 62a_100000038162_200010167045 [0,2,0,0,0,0|2,0,0]=4 6517 B16R0.274 C=CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011093070 [0,2,0,0,0,0|2,0,0]=4 6518 B16R0.274 C=CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011093070 [0,2,0,0,0,0|1,0,0]=3 6519 B16R0.274 C=CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011093070 [0,2,0,0,0,0|2,0,0]=4 6520 B16R0.274 C=CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011093070 [0,2,0,0,0,0|2,0,0]=4 6521 B16R0.274 C=CCCCCCCCCCCSCC(=O)N 62a_100011093070_100000747473 [0,2,0,0,0,0|2,0,0]=4 6522 B16R0.274 C=CCCCCCCCCCCSCC(=O)[O-] 62a_100011093070_100020667443 [0,2,0,0,0,0|1,0,1]=4 6523 B16R0.274 C=CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011093070 [0,2,0,0,0,0|1,0,1]=4 6524 B16R0.274 C=CCCCCCCCCCNCCC(=O)N 2230a_100000081888_100000744528 [0,2,0,0,0,0|2,0,0]=4 6525 B16R0.274 C=CCCCCCCCCCNCCC(=O)N 34a_100000081888_100000731001 [0,2,0,0,0,0|2,0,0]=4 6526 B16R0.274 C=CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100009814027 [0,2,0,0,0,0|1,0,1]=4 6527 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 34a_100000759926_100009814027 [0,2,0,0,0,0|2,0,0]=4 6528 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000038209_100000053229 [0,2,0,0,0,0|2,0,0]=4 6529 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000759926_100009814027 [0,2,0,0,0,0|2,0,0]=4 6530 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 34a_100000038209_100000731001 [0,2,0,0,0,0|2,0,0]=4 6531 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 34a_100000757172_100009814027 [0,2,0,0,0,0|2,0,0]=4 6532 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 7a_100000038209_100000744528 [0,2,0,0,0,0|2,0,0]=4 6533 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 7a_100000757172_100009814027 [0,2,0,0,0,0|2,0,0]=4 6534 B16R0.274 C=CCCCCCCCCCSCCC(=O)N 62a_100000744528_100009814027 [0,2,0,0,0,0|2,0,0]=4 6535 B16R0.274 C=CCCCCCCCCCSCCC(=O)N 62a_100009814027_100000744528 [0,2,0,0,0,0|2,0,0]=4 6536 B16R0.274 C=CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011933949 [0,2,0,0,0,0|2,0,0]=4 6537 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011933949 [0,2,0,0,0,0|2,0,0]=4 6538 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 34a_100011215194_100000685027 [0,2,0,0,0,0|2,0,0]=4 6539 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 7a_100000759063_100011933949 [0,2,0,0,0,0|2,0,0]=4 6540 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 7a_100011215194_100011215641 [0,2,0,0,0,0|2,0,0]=4 6541 B16R0.274 C=CCCCCCCCCOCCCC(=O)N 34a_100011215194_100102525003 [0,2,0,0,0,0|2,0,0]=4 6542 B16R0.274 C=CCCCCCCCCOCCCC(=O)N 7a_100011215194_100102525003 [0,2,0,0,0,0|2,0,0]=4 6543 B16R0.274 C=CCCCCCCCCSCCCC(=O)N 62a_100011933949_100102525003 [0,2,0,0,0,0|2,0,0]=4 6544 B16R0.274 C=CCCCCCCCCSCCCC(=O)N 62a_100102525003_100011933949 [0,2,0,0,0,0|2,0,0]=4 6545 B16R0.274 C=CCCCCCCCNCCCCC(=O)N 34a_100000696515_100012355270 [0,2,0,0,0,0|2,0,0]=4 6546 B16R0.274 C=CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100012355270 [0,2,0,0,0,0|1,0,1]=4 6547 B16R0.274 C=CCCCCCCCOCCCCC(=O)C 34a_100000730831_100009817362 [0,2,0,0,0,0|2,0,0]=4 6548 B16R0.274 C=CCCCCCCCOCCCCC(=O)C 7a_100000730831_100000735457 [0,2,0,0,0,0|2,0,0]=4 6549 B16R0.274 C=CCCCCCCCOCCCCC(=O)N 34a_100012022536_100012355270 [0,2,0,0,0,0|2,0,0]=4 6550 B16R0.274 C=CCCCCCCCOCCCCC(=O)N 7a_100012022536_100012355270 [0,2,0,0,0,0|2,0,0]=4 6551 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 34a_100000123541_100011215473 [0,2,0,0,0,0|2,0,0]=4 6552 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 34a_200011216477_100009817443 [0,2,0,0,0,0|2,0,0]=4 6553 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 7a_100000123541_100011215473 [0,2,0,0,0,0|2,0,0]=4 6554 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 7a_200011216477_100009817443 [0,2,0,0,0,0|2,0,0]=4 6555 B16R0.274 C=CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215473 [0,2,0,0,0,0|1,0,1]=4 6556 B16R0.274 C=CCCCCCCSCCCCCC(=O)N 62a_100009817443_100011215473 [0,2,0,0,0,0|2,0,0]=4 6557 B16R0.274 C=CCCCCCCSCCCCCC(=O)N 62a_100011215473_100009817443 [0,2,0,0,0,0|2,0,0]=4 6558 B16R0.274 C=CCNCCCCCCCCCCC(=O)N 2230a_100020586998_200010167045 [0,2,0,0,0,0|2,0,0]=4 6559 B16R0.274 C=CCOCCCCCCCCCCC(=O)N 34a_200000210373_200010167045 [0,2,0,0,0,0|2,0,0]=4 6560 B16R0.274 C=CCSCCCCCCCCCCC(=O)N 62a_100000210623_200010167045 [0,2,0,0,0,0|2,0,0]=4 6561 B16R0.274 C=CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210623 [0,2,0,0,0,0|2,0,0]=4 6562 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [0,2,0,0,0,0|2,0,0]=4 6563 B16R0.274 CC(=O)CCCCNCCCCCCCCO 34a_102515433106_100009817362 [0,2,0,0,0,0|2,0,0]=4 6564 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100009817362 [0,2,0,0,0,0|1,0,0]=3 6565 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000735457 [0,2,0,0,0,0|1,0,0]=3 6566 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100009817362 [0,2,0,0,0,0|1,1,0]=4 6567 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000735457 [0,2,0,0,0,0|1,1,0]=4 6568 B16R0.274 CC(=O)CCCCOCCCCCCCCN 34a_102515433106_100009817362 [0,2,0,0,0,0|2,0,0]=4 6569 B16R0.274 CC(=O)CCCCOCCCCCNCCN 34a_103619048469_100009817362 [0,2,0,0,0,0|2,0,0]=4 6570 B16R0.274 CC(=O)CCCCOCCOCCOCCBr 34a_100010132937_100009817362 [0,2,0,0,0,0|2,0,0]=4 6571 B16R0.274 CC(=O)CCCCOCCOCCOCCBr 7a_100010132937_100000735457 [0,2,0,0,0,0|2,0,0]=4 6572 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000735457 [0,2,0,0,0,0|2,0,0]=4 6573 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000735457_100000033203 [0,2,0,0,0,0|2,0,0]=4 6574 B16R0.274 CC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000685027 [0,2,0,0,0,0|2,0,0]=4 6575 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000685027 [0,2,0,0,0,0|1,0,0]=3 6576 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011215641 [0,2,0,0,0,0|1,0,0]=3 6577 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000685027 [0,2,0,0,0,0|1,1,0]=4 6578 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011215641 [0,2,0,0,0,0|1,1,0]=4 6579 B16R0.274 CC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000685027 [0,2,0,0,0,0|2,0,0]=4 6580 B16R0.274 CC(=O)CCCOCCCCCCCCCO 34a_100000759063_100009813782 [0,2,0,0,0,0|2,0,0]=4 6581 B16R0.274 CC(=O)CCCOCCCCCCCCCO 7a_100000759063_100009813782 [0,2,0,0,0,0|2,0,0]=4 6582 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011215641 [0,2,0,0,0,0|2,0,0]=4 6583 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100011215641_100009813782 [0,2,0,0,0,0|2,0,0]=4 6584 B16R0.274 CC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000053229 [0,2,0,0,0,0|1,0,0]=3 6585 B16R0.274 CC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000053229 [0,2,0,0,0,0|1,1,0]=4 6586 B16R0.274 CC(=O)CCOCCCCCCCCCCO 34a_100000759926_100009813290 [0,2,0,0,0,0|2,0,0]=4 6587 B16R0.274 CC(=O)CCOCCCCCCCCCCO 7a_100000759926_100009813290 [0,2,0,0,0,0|2,0,0]=4 6588 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100000053229_200000033068 [0,2,0,0,0,0|2,0,0]=4 6589 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000053229 [0,2,0,0,0,0|2,0,0]=4 6590 B16R0.274 CC(=O)COCCCCCCCCCCCO 34a_100000211253_100009812471 [0,2,0,0,0,0|2,0,0]=4 6591 B16R0.274 CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100015343762 [0,2,0,0,0,0|2,0,0]=4 6592 B16R0.274 CC(=O)NCCCCCCNCCCCCF 2230a_200011996284_100000729378 [0,2,0,0,0,0|1,1,0]=4 6593 B16R0.274 CC(=O)NCCCCCCNCCCCCF 34a_200011996284_100000729378 [0,2,0,0,0,0|1,1,0]=4 6594 B16R0.274 CC(=O)NCCCCCCNCCCCCO 2230a_200011996284_100000746330 [0,2,0,0,0,0|2,0,0]=4 6595 B16R0.274 CC(=O)NCCCCCCNCCCCCO 34a_200011996284_100000746330 [0,2,0,0,0,0|2,0,0]=4 6596 B16R0.274 CC(=O)NCCCCCNCCCCCCF 2230a_200012022750_100015922095 [0,2,0,0,0,0|1,1,0]=4 6597 B16R0.274 CC(=O)NCCCCCNCCCCCCF 34a_200012022750_100015922095 [0,2,0,0,0,0|1,1,0]=4 6598 B16R0.274 CC(=O)NCCCCCNCCCCCCO 2230a_200012022750_100000766143 [0,2,0,0,0,0|2,0,0]=4 6599 B16R0.274 CC(=O)NCCCCCNCCCCCCO 34a_200012022750_100000766143 [0,2,0,0,0,0|2,0,0]=4 6600 B16R0.274 CC(=O)NCCCCNCCCCCCCO 2230a_200011368371_100000760002 [0,2,0,0,0,0|2,0,0]=4 6601 B16R0.274 CC(=O)NCCCCNCCCCCCCO 34a_200011368371_100000760002 [0,2,0,0,0,0|2,0,0]=4 6602 B16R0.274 CC(=O)NCCCNCCCCCCCCO 34a_100000736810_100000033203 [0,2,0,0,0,0|2,0,0]=4 6603 B16R0.274 CC(=O)NCCCOCCCCCCCCO 34a_100000752032_100000033203 [0,2,0,0,0,0|2,0,0]=4 6604 B16R0.274 CC(=O)NCCNCCCCCCCCCO 2230a_100000078944_100000189650 [0,2,0,0,0,0|2,0,0]=4 6605 B16R0.274 CC(=O)NCCNCCCCCCCCCO 2230a_100000209853_100009813782 [0,2,0,0,0,0|2,0,0]=4 6606 B16R0.274 CC(=O)NCCOCCCCCCCCCBr 7a_100009813782_100000189650 [0,2,0,0,0,0|1,0,0]=3 6607 B16R0.274 CC(=O)NCCOCCCCCCCCCCl 7a_100009868337_100000189650 [0,2,0,0,0,0|1,1,0]=4 6608 B16R0.274 CC(=O)NCCOCCCCCCCCCO 34a_100000158858_100009813782 [0,2,0,0,0,0|2,0,0]=4 6609 B16R0.274 CC(=O)NCCSCCCCCCCCCO 62a_100000189650_100009813782 [0,2,0,0,0,0|2,0,0]=4 6610 B16R0.274 CC(=O)NCCSCCCCCCCCCO 62a_100009813782_100000189650 [0,2,0,0,0,0|2,0,0]=4 6611 B16R0.274 CC(=O)OCCCCCNCCCCCCO 2230a_100000686447_100009813381 [0,2,0,0,0,0|2,0,0]=4 6612 B16R0.274 CC(=O)OCCCCCNCCCCCCO 34a_100000686447_100000033007 [0,2,0,0,0,0|2,0,0]=4 6613 B16R0.274 CC(=O)OCCCCCOCCCCCCBr 34a_100011215345_100000033007 [0,2,0,0,0,0|1,0,0]=3 6614 B16R0.274 CC(=O)OCCCCCOCCCCCCBr 7a_100011215345_100000033007 [0,2,0,0,0,0|1,0,0]=3 6615 B16R0.274 CC(=O)OCCCCCOCCCCCCCl 34a_100000766143_100000033007 [0,2,0,0,0,0|1,1,0]=4 6616 B16R0.274 CC(=O)OCCCCCOCCCCCCCl 7a_100000766143_100000033007 [0,2,0,0,0,0|1,1,0]=4 6617 B16R0.274 CC(=O)OCCCCCOCCCCCCF 34a_100000732779_100000033007 [0,2,0,0,0,0|1,1,0]=4 6618 B16R0.274 CC(=O)OCCCCCOCCCCCCF 7a_100000732779_100000033007 [0,2,0,0,0,0|1,1,0]=4 6619 B16R0.274 CC(=O)OCCCCCOCCCCCCN 34a_100000686447_100000033007 [0,2,0,0,0,0|2,0,0]=4 6620 B16R0.274 CC(=O)OCCCCCSCCCCCCF 62a_100000033007_100015922095 [0,2,0,0,0,0|1,1,0]=4 6621 B16R0.274 CC(=O)OCCCCCSCCCCCCF 62a_100015922095_100000033007 [0,2,0,0,0,0|1,1,0]=4 6622 B16R0.274 CC(=O)OCCCCCSCCCCCCO 62a_100000033007_100000766143 [0,2,0,0,0,0|2,0,0]=4 6623 B16R0.274 CC(=O)OCCCCCSCCCCCCO 62a_100000766143_100000033007 [0,2,0,0,0,0|2,0,0]=4 6624 B16R0.274 CC(=O)OCCCCNCCCCCCCO 34a_100011996573_100000033659 [0,2,0,0,0,0|2,0,0]=4 6625 B16R0.274 CC(=O)OCCCCOCCCCCCCBr 34a_100000760002_100000033659 [0,2,0,0,0,0|1,0,0]=3 6626 B16R0.274 CC(=O)OCCCCOCCCCCCCBr 7a_100000760002_100000033659 [0,2,0,0,0,0|1,0,0]=3 6627 B16R0.274 CC(=O)OCCCCOCCCCCCCN 34a_100011996573_100000033659 [0,2,0,0,0,0|2,0,0]=4 6628 B16R0.274 CC(=O)OCCCCOCCCCCCCO 34a_100000073216_100000760002 [0,2,0,0,0,0|2,0,0]=4 6629 B16R0.274 CC(=O)OCCCCOCCCCCCCO 7a_100000073216_100000760002 [0,2,0,0,0,0|2,0,0]=4 6630 B16R0.274 CC(=O)OCCCCSCCCCCCCO 62a_100000033659_100000760002 [0,2,0,0,0,0|2,0,0]=4 6631 B16R0.274 CC(=O)OCCCCSCCCCCCCO 62a_100000760002_100000033659 [0,2,0,0,0,0|2,0,0]=4 6632 B16R0.274 CC(=O)OCCCNCCCCCCCCO 34a_102515433106_100000042594 [0,2,0,0,0,0|2,0,0]=4 6633 B16R0.274 CC(=O)OCCCOCCCCCCCCBr 34a_100009813846_100000042594 [0,2,0,0,0,0|1,0,0]=3 6634 B16R0.274 CC(=O)OCCCOCCCCCCCCBr 7a_100009813846_100000042594 [0,2,0,0,0,0|1,0,0]=3 6635 B16R0.274 CC(=O)OCCCOCCCCCCCCCl 34a_100000033203_100000042594 [0,2,0,0,0,0|1,1,0]=4 6636 B16R0.274 CC(=O)OCCCOCCCCCCCCCl 7a_100000033203_100000042594 [0,2,0,0,0,0|1,1,0]=4 6637 B16R0.274 CC(=O)OCCCOCCCCCCCCN 34a_102515433106_100000042594 [0,2,0,0,0,0|2,0,0]=4 6638 B16R0.274 CC(=O)OCCCSCCCCCCCCO 62a_100000033203_100000042594 [0,2,0,0,0,0|2,0,0]=4 6639 B16R0.274 CC(=O)OCCCSCCCCCCCCO 62a_100000042594_100000033203 [0,2,0,0,0,0|2,0,0]=4 6640 B16R0.274 CC(=O)OCCNCCCCCCCCCO 34a_100000078944_100009814007 [0,2,0,0,0,0|2,0,0]=4 6641 B16R0.274 CC(=O)OCCOCCCCCCCCCBr 34a_100009813782_100009814007 [0,2,0,0,0,0|1,0,0]=3 6642 B16R0.274 CC(=O)OCCOCCCCCCCCCBr 7a_100009813782_100009814007 [0,2,0,0,0,0|1,0,0]=3 6643 B16R0.274 CC(=O)OCCOCCCCCCCCCCl 34a_100009868337_100009814007 [0,2,0,0,0,0|1,1,0]=4 6644 B16R0.274 CC(=O)OCCOCCCCCCCCCCl 7a_100009868337_100009814007 [0,2,0,0,0,0|1,1,0]=4 6645 B16R0.274 CC(=O)OCCOCCCCCCCCCN 34a_100000078944_100009814007 [0,2,0,0,0,0|2,0,0]=4 6646 B16R0.274 CC(=O)OCCOCCOCCCCCCBr 34a_100011215345_200000083610 [0,2,0,0,0,0|2,0,0]=4 6647 B16R0.274 CC(=O)OCCOCCOCCCCCCBr 7a_100011215345_200000083610 [0,2,0,0,0,0|2,0,0]=4 6648 B16R0.274 CC(=O)OCCOCOCCCCCCCBr 34a_100000760002_100000076355 [0,2,0,0,0,0|2,0,0]=4 6649 B16R0.274 CC(=O)OCCSCCCCCCCCCO 62a_100009813782_100009814007 [0,2,0,0,0,0|2,0,0]=4 6650 B16R0.274 CC(=O)OCCSCCCCCCCCCO 62a_100009814007_100009813782 [0,2,0,0,0,0|2,0,0]=4 6651 B16R0.274 CC(=O)OCNCCCCCCCCCCO 34a_100000066964_100009813279 [0,2,0,0,0,0|2,0,0]=4 6652 B16R0.274 CC(=O)OCOCCCCCCCCCCBr 34a_100009813290_100009813279 [0,2,0,0,0,0|1,0,0]=3 6653 B16R0.274 CC(=O)OCOCCCCCCCCCCCl 34a_200000033068_100009813279 [0,2,0,0,0,0|1,1,0]=4 6654 B16R0.274 CC(=O)OCOCCCCCCCCCCN 34a_100000066964_100009813279 [0,2,0,0,0,0|2,0,0]=4 6655 B16R0.274 CC(=O)OCSCCCCCCCCCCO 62a_100000076356_200000033068 [0,2,0,0,0,0|2,0,0]=4 6656 B16R0.274 CC(=O)OCSCCCCCCCCCCO 62a_100009813290_100000076356 [0,2,0,0,0,0|2,0,0]=4 6657 B16R0.274 CC(=O)SCCCCNCCCCCCCO 2230a_100011996573_200010402107 [0,2,0,0,0,0|2,0,0]=4 6658 B16R0.274 CC(=O)SCCCCNCCCCCCCO 34a_100011996573_200010402107 [0,2,0,0,0,0|2,0,0]=4 6659 B16R0.274 CC(=O)SCCCCOCCCCCCCBr 34a_100000760002_200010402107 [0,2,0,0,0,0|1,0,0]=3 6660 B16R0.274 CC(=O)SCCCCOCCCCCCCBr 7a_100000760002_200010402107 [0,2,0,0,0,0|1,0,0]=3 6661 B16R0.274 CC(=O)SCCCCOCCCCCCCN 34a_100011996573_200010402107 [0,2,0,0,0,0|2,0,0]=4 6662 B16R0.274 CC(=O)SCCCCSCCCCCCCO 62a_100000760002_200010402107 [0,2,0,0,0,0|2,0,0]=4 6663 B16R0.274 CC(=O)SCCCCSCCCCCCCO 62a_200010402107_100000760002 [0,2,0,0,0,0|2,0,0]=4 6664 B16R0.274 CC(=O)SCCCNCCCCCCCCO 2230a_102515433106_100000038929 [0,2,0,0,0,0|2,0,0]=4 6665 B16R0.274 CC(=O)SCCCNCCCCCCCCO 34a_102515433106_100000038929 [0,2,0,0,0,0|2,0,0]=4 6666 B16R0.274 CC(=O)SCCCOCCCCCCCCBr 34a_100009813846_100000038929 [0,2,0,0,0,0|1,0,0]=3 6667 B16R0.274 CC(=O)SCCCOCCCCCCCCBr 7a_100009813846_100000038929 [0,2,0,0,0,0|1,0,0]=3 6668 B16R0.274 CC(=O)SCCCOCCCCCCCCCl 34a_100000033203_100000038929 [0,2,0,0,0,0|1,1,0]=4 6669 B16R0.274 CC(=O)SCCCOCCCCCCCCCl 7a_100000033203_100000038929 [0,2,0,0,0,0|1,1,0]=4 6670 B16R0.274 CC(=O)SCCCOCCCCCCCCN 34a_102515433106_100000038929 [0,2,0,0,0,0|2,0,0]=4 6671 B16R0.274 CC(=O)SCCCSCCCCCCCCO 62a_100000033203_100000038929 [0,2,0,0,0,0|2,0,0]=4 6672 B16R0.274 CC(=O)SCCCSCCCCCCCCO 62a_100000038929_100000033203 [0,2,0,0,0,0|2,0,0]=4 6673 B16R0.274 CC(=S)OCCCOCCCCCCCCBr 34a_100009813846_200135323944 [0,2,0,0,0,0|1,1,0]=4 6674 B16R0.274 CC(=S)OCCCOCCCCCCCCBr 7a_100009813846_200135323944 [0,2,0,0,0,0|1,1,0]=4 6675 B16R0.274 CC(O)CCCOCCCCCCCCCBr 34a_100009813782_200000718107 [0,2,0,0,0,0|1,0,1]=4 6676 B16R0.274 CC(O)CCCOCCCCCCCCCBr 7a_100009813782_200000718107 [0,2,0,0,0,0|1,0,1]=4 6677 B16R0.274 CC(O)CCOCCCCCCCCCCBr 34a_100009813290_100012276601 [0,2,0,0,0,0|1,0,1]=4 6678 B16R0.274 CC(O)CCOCCCCCCCCCCBr 7a_100009813290_100012276601 [0,2,0,0,0,0|1,0,1]=4 6679 B16R0.274 CC(O)COCCCCCCCCCCCBr 34a_100009812471_100011218427 [0,2,0,0,0,0|1,0,1]=4 6680 B16R0.274 CC(O)COCCCCCCCCCCCBr 7a_100009812471_100011218427 [0,2,0,0,0,0|1,0,1]=4 6681 B16R0.274 CCCCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000043322 [0,2,0,0,0,0|1,0,1]=4 6682 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [0,2,0,0,0,0|2,0,0]=4 6683 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [0,2,0,0,0,0|2,0,0]=4 6684 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [0,2,0,0,0,0|2,0,0]=4 6685 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [0,2,0,0,0,0|2,0,0]=4 6686 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [0,2,0,0,0,0|2,0,0]=4 6687 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [0,2,0,0,0,0|2,0,0]=4 6688 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [0,2,0,0,0,0|2,0,0]=4 6689 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [0,2,0,0,0,0|1,0,0]=3 6690 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [0,2,0,0,0,0|1,0,1]=4 6691 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [0,2,0,0,0,0|2,0,0]=4 6692 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [0,2,0,0,0,0|2,0,0]=4 6693 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [0,2,0,0,0,0|2,0,0]=4 6694 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [0,2,0,0,0,0|1,0,1]=4 6695 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [0,2,0,0,0,0|2,0,0]=4 6696 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [0,2,0,0,0,0|1,0,1]=4 6697 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [0,2,0,0,0,0|2,0,0]=4 6698 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [0,2,0,0,0,0|2,0,0]=4 6699 B16R0.274 CCCCCCCCCCCNCOC(=O)C 34a_200011215754_100009813279 [0,2,0,0,0,0|2,0,0]=4 6700 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [0,2,0,0,0,0|1,0,0]=3 6701 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [0,2,0,0,0,0|2,0,0]=4 6702 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [0,2,0,0,0,0|2,0,0]=4 6703 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [0,2,0,0,0,0|2,0,0]=4 6704 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [0,2,0,0,0,0|2,0,0]=4 6705 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [0,2,0,0,0,0|2,0,0]=4 6706 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [0,2,0,0,0,0|2,0,0]=4 6707 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [0,2,0,0,0,0|2,0,0]=4 6708 B16R0.274 CCCCCCCCCCCOCOC(=O)C 34a_100000210809_100009813279 [0,2,0,0,0,0|2,0,0]=4 6709 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [0,2,0,0,0,0|2,0,0]=4 6710 B16R0.274 CCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011215454 [0,2,0,0,0,0|2,0,0]=4 6711 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [0,2,0,0,0,0|2,0,0]=4 6712 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [0,2,0,0,0,0|2,0,0]=4 6713 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [0,2,0,0,0,0|2,0,0]=4 6714 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210320 [0,2,0,0,0,0|2,0,0]=4 6715 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000684558_100000189650 [0,2,0,0,0,0|2,0,0]=4 6716 B16R0.274 CCCCCCCCCCNCCNC(=O)N 2230a_100000684558_200000034859 [0,2,0,0,0,0|2,0,0]=4 6717 B16R0.274 CCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000210320 [0,2,0,0,0,0|2,0,0]=4 6718 B16R0.274 CCCCCCCCCCNCCOC(=O)C 34a_100000684558_100009814007 [0,2,0,0,0,0|2,0,0]=4 6719 B16R0.274 CCCCCCCCCCNCCOC(=O)N 34a_100000684558_200011214921 [0,2,0,0,0,0|2,0,0]=4 6720 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [0,2,0,0,0,0|2,0,0]=4 6721 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [0,2,0,0,0,0|2,0,0]=4 6722 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [0,2,0,0,0,0|2,0,0]=4 6723 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [0,2,0,0,0,0|2,0,0]=4 6724 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [0,2,0,0,0,0|2,0,0]=4 6725 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [0,2,0,0,0,0|2,0,0]=4 6726 B16R0.274 CCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000210320 [0,2,0,0,0,0|2,0,0]=4 6727 B16R0.274 CCCCCCCCCCOCCNC(=O)C 7a_100000210711_100000189650 [0,2,0,0,0,0|2,0,0]=4 6728 B16R0.274 CCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000210320 [0,2,0,0,0,0|2,0,0]=4 6729 B16R0.274 CCCCCCCCCCOCCNC(=O)N 7a_100000210711_200000034859 [0,2,0,0,0,0|2,0,0]=4 6730 B16R0.274 CCCCCCCCCCOCCOC(=O)C 34a_100000210711_100009814007 [0,2,0,0,0,0|2,0,0]=4 6731 B16R0.274 CCCCCCCCCCOCCOC(=O)C 7a_100000210711_100009814007 [0,2,0,0,0,0|2,0,0]=4 6732 B16R0.274 CCCCCCCCCCOCCOC(=O)N 34a_100000210711_200011214921 [0,2,0,0,0,0|2,0,0]=4 6733 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000210711_200011214921 [0,2,0,0,0,0|2,0,0]=4 6734 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210320 [0,2,0,0,0,0|2,0,0]=4 6735 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [0,2,0,0,0,0|2,0,0]=4 6736 B16R0.274 CCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210320 [0,2,0,0,0,0|2,0,0]=4 6737 B16R0.274 CCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210320 [0,2,0,0,0,0|2,0,0]=4 6738 B16R0.274 CCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210320 [0,2,0,0,0,0|2,0,0]=4 6739 B16R0.274 CCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210320 [0,2,0,0,0,0|2,0,0]=4 6740 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [0,2,0,0,0,0|2,0,0]=4 6741 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [0,2,0,0,0,0|2,0,0]=4 6742 B16R0.274 CCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011214924 [0,2,0,0,0,0|2,0,0]=4 6743 B16R0.274 CCCCCCCCCNCCCOC(=O)C 34a_100000212291_100000042594 [0,2,0,0,0,0|2,0,0]=4 6744 B16R0.274 CCCCCCCCCNCCCSC(=O)C 2230a_100000212291_100000038929 [0,2,0,0,0,0|2,0,0]=4 6745 B16R0.274 CCCCCCCCCNCCCSC(=O)C 34a_100000212291_100000038929 [0,2,0,0,0,0|2,0,0]=4 6746 B16R0.274 CCCCCCCCCNCCOCC(=O)N 2230a_100000212291_100000076697 [0,2,0,0,0,0|2,0,0]=4 6747 B16R0.274 CCCCCCCCCNCCOCC(=O)N 34a_100000212291_100000076697 [0,2,0,0,0,0|2,0,0]=4 6748 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [0,2,0,0,0,0|1,0,0]=3 6749 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [0,2,0,0,0,0|2,0,0]=4 6750 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [0,2,0,0,0,0|2,0,0]=4 6751 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [0,2,0,0,0,0|2,0,0]=4 6752 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [0,2,0,0,0,0|2,0,0]=4 6753 B16R0.274 CCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011214924 [0,2,0,0,0,0|2,0,0]=4 6754 B16R0.274 CCCCCCCCCOCCCOC(=O)C 34a_100000210712_100000042594 [0,2,0,0,0,0|2,0,0]=4 6755 B16R0.274 CCCCCCCCCOCCCOC(=O)C 7a_100000210712_100000042594 [0,2,0,0,0,0|2,0,0]=4 6756 B16R0.274 CCCCCCCCCOCCCSC(=O)C 34a_100000210712_100000038929 [0,2,0,0,0,0|2,0,0]=4 6757 B16R0.274 CCCCCCCCCOCCCSC(=O)C 7a_100000210712_100000038929 [0,2,0,0,0,0|2,0,0]=4 6758 B16R0.274 CCCCCCCCCOCCOCC(=O)N 34a_100000210712_100000076697 [0,2,0,0,0,0|2,0,0]=4 6759 B16R0.274 CCCCCCCCCOCCOCC(=O)N 7a_100000210712_100000076697 [0,2,0,0,0,0|2,0,0]=4 6760 B16R0.274 CCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210670 [0,2,0,0,0,0|2,0,0]=4 6761 B16R0.274 CCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210670 [0,2,0,0,0,0|2,0,0]=4 6762 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [0,2,0,0,0,0|2,0,0]=4 6763 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [0,2,0,0,0,0|2,0,0]=4 6764 B16R0.274 CCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210759 [0,2,0,0,0,0|2,0,0]=4 6765 B16R0.274 CCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210759 [0,2,0,0,0,0|2,0,0]=4 6766 B16R0.274 CCCCCCCCNCCCCOC(=O)C 34a_100000229939_100000033659 [0,2,0,0,0,0|2,0,0]=4 6767 B16R0.274 CCCCCCCCNCCCCSC(=O)C 2230a_100000229939_200010402107 [0,2,0,0,0,0|2,0,0]=4 6768 B16R0.274 CCCCCCCCNCCCCSC(=O)C 34a_100000229939_200010402107 [0,2,0,0,0,0|2,0,0]=4 6769 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [0,2,0,0,0,0|2,0,0]=4 6770 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [0,2,0,0,0,0|2,0,0]=4 6771 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [0,2,0,0,0,0|2,0,0]=4 6772 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [0,2,0,0,0,0|2,0,0]=4 6773 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [0,2,0,0,0,0|1,0,1]=4 6774 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210759 [0,2,0,0,0,0|2,0,0]=4 6775 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000210232_100000033659 [0,2,0,0,0,0|2,0,0]=4 6776 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210759 [0,2,0,0,0,0|2,0,0]=4 6777 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000210232_100000033659 [0,2,0,0,0,0|2,0,0]=4 6778 B16R0.274 CCCCCCCCOCCCCSC(=O)C 34a_100000210232_200010402107 [0,2,0,0,0,0|2,0,0]=4 6779 B16R0.274 CCCCCCCCOCCCCSC(=O)C 7a_100000210232_200010402107 [0,2,0,0,0,0|2,0,0]=4 6780 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [0,2,0,0,0,0|2,0,0]=4 6781 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [0,2,0,0,0,0|2,0,0]=4 6782 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210317 [0,2,0,0,0,0|2,0,0]=4 6783 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000210759_100000033659 [0,2,0,0,0,0|2,0,0]=4 6784 B16R0.274 CCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210681 [0,2,0,0,0,0|2,0,0]=4 6785 B16R0.274 CCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210614 [0,2,0,0,0,0|2,0,0]=4 6786 B16R0.274 CCCCCCCNCCCCCOC(=O)C 2230a_100000229938_100009813381 [0,2,0,0,0,0|2,0,0]=4 6787 B16R0.274 CCCCCCCOCCCCCOC(=O)C 34a_100000210272_100000033007 [0,2,0,0,0,0|2,0,0]=4 6788 B16R0.274 CCCCCCCOCCCCCOC(=O)C 7a_100000210272_100000033007 [0,2,0,0,0,0|2,0,0]=4 6789 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210316 [0,2,0,0,0,0|2,0,0]=4 6790 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000210614_100000033007 [0,2,0,0,0,0|2,0,0]=4 6791 B16R0.274 CCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210314 [0,2,0,0,0,0|2,0,0]=4 6792 B16R0.274 CCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210314 [0,2,0,0,0,0|2,0,0]=4 6793 B16R0.274 CCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210757 [0,2,0,0,0,0|2,0,0]=4 6794 B16R0.274 CCCCCCOCCOCCCCC(=O)C 34a_100000691444_100009817362 [0,2,0,0,0,0|2,0,0]=4 6795 B16R0.274 CCCCCCOCCOCCCCC(=O)C 7a_100000691444_100000735457 [0,2,0,0,0,0|2,0,0]=4 6796 B16R0.274 CCCCCNCCOCCCCCC(=O)N 34a_100000224656_100009817443 [0,2,0,0,0,0|2,0,0]=4 6797 B16R0.274 CCCCCOCCOCCCCCC(=O)N 34a_100011215259_100009817443 [0,2,0,0,0,0|2,0,0]=4 6798 B16R0.274 CCCCCOCCOCCCCCC(=O)N 7a_100011215259_100009817443 [0,2,0,0,0,0|2,0,0]=4 6799 B16R0.274 CCCCNCCCCOCCCCC(=O)C 34a_200011216965_100009817362 [0,2,0,0,0,0|2,0,0]=4 6800 B16R0.274 CCCCOCCCCOCCCCC(=O)C 34a_200000760531_100009817362 [0,2,0,0,0,0|2,0,0]=4 6801 B16R0.274 CCCCOCCCCOCCCCC(=O)C 7a_200000760531_100000735457 [0,2,0,0,0,0|2,0,0]=4 6802 B16R0.274 CCCCOCCCNCCCCCC(=O)N 2230a_200000211371_100009817443 [0,2,0,0,0,0|2,0,0]=4 6803 B16R0.274 CCCCOCCCNCCCCCC(=O)N 34a_200000211371_100009817443 [0,2,0,0,0,0|2,0,0]=4 6804 B16R0.274 CCCCOCCCOCCCCCC(=O)N 34a_200011215613_100009817443 [0,2,0,0,0,0|2,0,0]=4 6805 B16R0.274 CCCCOCCCOCCCCCC(=O)N 7a_200011215613_100009817443 [0,2,0,0,0,0|2,0,0]=4 6806 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [0,2,0,0,0,0|2,0,0]=4 6807 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [0,2,0,0,0,0|2,0,0]=4 6808 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [0,2,0,0,0,0|2,0,0]=4 6809 B16R0.274 CCOCCCCCCCCCOCC(=O)N 34a_100009875440_100000187820 [0,2,0,0,0,0|2,0,0]=4 6810 B16R0.274 CCOCCCCCCCCCOCC(=O)N 7a_100009875440_100000187820 [0,2,0,0,0,0|2,0,0]=4 6811 B16R0.274 CCOCCCCCCCCCOCC(=O)[O-] 34a_100009875440_100020667443 [0,2,0,0,0,0|1,0,1]=4 6812 B16R0.274 CNCCCCCCCCCCCSC(=O)C 2230a_106832991635_100010140907 [0,2,0,0,0,0|2,0,0]=4 6813 B16R0.274 CNCCCCCCCCCCCSC(=O)C 34a_100102657272_100010140907 [0,2,0,0,0,0|2,0,0]=4 6814 B16R0.274 CNCCCCCCCCCCCSC(=O)C 7a_106832991635_100010140907 [0,2,0,0,0,0|2,0,0]=4 6815 B16R0.274 COCCCCCCCCCCCSC(=O)C 34a_100138415774_100010140907 [0,2,0,0,0,0|2,0,0]=4 6816 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_100000123541_100011998445 [0,2,0,0,0,0|2,0,0]=4 6817 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_200012092642_100009817443 [0,2,0,0,0,0|2,0,0]=4 6818 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_100000123541_100011998445 [0,2,0,0,0,0|2,0,0]=4 6819 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_200012092642_100009817443 [0,2,0,0,0,0|2,0,0]=4 6820 B16R0.274 COCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011998445 [0,2,0,0,0,0|1,0,1]=4 6821 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100009817443_100011998445 [0,2,0,0,0,0|2,0,0]=4 6822 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100011998445_100009817443 [0,2,0,0,0,0|2,0,0]=4 6823 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_100000766300_200010167045 [0,2,0,0,0,0|2,0,0]=4 6824 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_200010167045_100000766300 [0,2,0,0,0,0|2,0,0]=4 6825 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_100011218213_200010167045 [0,2,0,0,0,0|2,0,0]=4 6826 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_200010167045_100011218213 [0,2,0,0,0,0|2,0,0]=4 6827 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 34a_100009812471_100009817552 [0,2,0,0,0,0|1,0,1]=4 6828 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 7a_100009812471_100009817552 [0,2,0,0,0,0|1,0,1]=4 6829 B16R0.274 N#CCCCCCCOCCCCCC(=O)N 7a_100000123541_100009813337 [0,2,0,0,0,0|2,0,0]=4 6830 B16R0.274 N#CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100009813337 [0,2,0,0,0,0|1,0,1]=4 6831 B16R0.274 N#CCCCCCCSCCCCCC(=O)N 62a_100009813337_100009817443 [0,2,0,0,0,0|2,0,0]=4 6832 B16R0.274 N#CCCCCCCSCCCCCC(=O)N 62a_100009817443_100009813337 [0,2,0,0,0,0|2,0,0]=4 6833 B16R0.274 N#CCSCCCCCCCCCCC(=O)N 62a_100011215382_200010167045 [0,2,0,0,0,0|2,0,0]=4 6834 B16R0.274 N#CCSCCCCCCCCCCC(=O)N 62a_200010167045_100011215382 [0,2,0,0,0,0|2,0,0]=4 6835 B16R0.274 NC(=O)CCCCCCCCCCNCCF 34a_100000724931_200010167045 [0,2,0,0,0,0|1,1,0]=4 6836 B16R0.274 NC(=O)CCCCCCCCCCNCCO 2230a_100016997473_200010167045 [0,2,0,0,0,0|2,0,0]=4 6837 B16R0.274 NC(=O)CCCCCCCCCCNCCO 34a_100016990907_200010167045 [0,2,0,0,0,0|2,0,0]=4 6838 B16R0.274 NC(=O)CCCCCCCCCCOCCBr 34a_100000211926_200010167045 [0,2,0,0,0,0|1,0,0]=3 6839 B16R0.274 NC(=O)CCCCCCCCCCSCC=O 62a_200010167045_200015260668 [0,2,0,0,0,0|2,0,0]=4 6840 B16R0.274 NC(=O)CCCCCCCCCCSCC=O 62a_200015260668_200010167045 [0,2,0,0,0,0|2,0,0]=4 6841 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_100011217306_200010167045 [0,2,0,0,0,0|1,1,0]=4 6842 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_200010167045_100011217306 [0,2,0,0,0,0|1,1,0]=4 6843 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_100000211926_200010167045 [0,2,0,0,0,0|2,0,0]=4 6844 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_200010167045_100000211926 [0,2,0,0,0,0|2,0,0]=4 6845 B16R0.274 NC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009817443 [0,2,0,0,0,0|2,0,0]=4 6846 B16R0.274 NC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009817443 [0,2,0,0,0,0|2,0,0]=4 6847 B16R0.274 NC(=O)CCCCCNCCCOCCCO 2230a_100011310245_100009817443 [0,2,0,0,0,0|2,0,0]=4 6848 B16R0.274 NC(=O)CCCCCNCCCOCCCO 34a_100011310245_100009817443 [0,2,0,0,0,0|2,0,0]=4 6849 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009817443 [0,2,0,0,0,0|1,0,0]=3 6850 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009817443 [0,2,0,0,0,0|1,0,0]=3 6851 B16R0.274 NC(=O)CCCCCOCCCCCCCO 34a_100000123541_100000760002 [0,2,0,0,0,0|2,0,0]=4 6852 B16R0.274 NC(=O)CCCCCOCCCCCCCO 7a_100000123541_100000760002 [0,2,0,0,0,0|2,0,0]=4 6853 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009817443 [0,2,0,0,0,0|2,0,0]=4 6854 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100009817443_100000760002 [0,2,0,0,0,0|2,0,0]=4 6855 B16R0.274 NC(=O)CCCCNCCCCCCCCO 34a_100000696515_100000033203 [0,2,0,0,0,0|2,0,0]=4 6856 B16R0.274 NC(=O)CCCCOCCCCCCCCO 34a_100012022536_100000033203 [0,2,0,0,0,0|2,0,0]=4 6857 B16R0.274 NC(=O)CCCCOCCCCCCCCO 7a_100012022536_100000033203 [0,2,0,0,0,0|2,0,0]=4 6858 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000078944_100102525003 [0,2,0,0,0,0|2,0,0]=4 6859 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000739312_100009813782 [0,2,0,0,0,0|2,0,0]=4 6860 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100102525003 [0,2,0,0,0,0|1,0,0]=3 6861 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100102525003 [0,2,0,0,0,0|1,0,0]=3 6862 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100102525003 [0,2,0,0,0,0|1,1,0]=4 6863 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100102525003 [0,2,0,0,0,0|1,1,0]=4 6864 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100009813782_100102525003 [0,2,0,0,0,0|2,0,0]=4 6865 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100102525003_100009813782 [0,2,0,0,0,0|2,0,0]=4 6866 B16R0.274 NC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000744528 [0,2,0,0,0,0|2,0,0]=4 6867 B16R0.274 NC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000731001 [0,2,0,0,0,0|2,0,0]=4 6868 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000731001 [0,2,0,0,0,0|1,0,0]=3 6869 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000744528 [0,2,0,0,0,0|1,0,0]=3 6870 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000731001 [0,2,0,0,0,0|1,1,0]=4 6871 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000744528 [0,2,0,0,0,0|1,1,0]=4 6872 B16R0.274 NC(=O)CCOCCCCCCCCCCO 34a_100000757172_100009813290 [0,2,0,0,0,0|2,0,0]=4 6873 B16R0.274 NC(=O)CCOCCCCCCCCCCO 7a_100000757172_100009813290 [0,2,0,0,0,0|2,0,0]=4 6874 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100000744528_200000033068 [0,2,0,0,0,0|2,0,0]=4 6875 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000744528 [0,2,0,0,0,0|2,0,0]=4 6876 B16R0.274 NC(=O)CNCCCCCCCCCCCO 2230a_100000711301_100009812471 [0,2,0,0,0,0|2,0,0]=4 6877 B16R0.274 NC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000187820 [0,2,0,0,0,0|1,0,0]=3 6878 B16R0.274 NC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000187820 [0,2,0,0,0,0|1,0,0]=3 6879 B16R0.274 NC(=O)COCCNCCCCCCCCO 2230a_102515433106_100000076697 [0,2,0,0,0,0|2,0,0]=4 6880 B16R0.274 NC(=O)COCCNCCCCCCCCO 34a_102515433106_100000076697 [0,2,0,0,0,0|2,0,0]=4 6881 B16R0.274 NC(=O)COCCOCCCCCCCCBr 34a_100009813846_100000076697 [0,2,0,0,0,0|1,0,0]=3 6882 B16R0.274 NC(=O)COCCOCCCCCCCCBr 7a_100009813846_100000076697 [0,2,0,0,0,0|1,0,0]=3 6883 B16R0.274 NC(=O)COCCOCCCCCCCCCl 34a_100000033203_100000076697 [0,2,0,0,0,0|1,1,0]=4 6884 B16R0.274 NC(=O)COCCOCCCCCCCCCl 7a_100000033203_100000076697 [0,2,0,0,0,0|1,1,0]=4 6885 B16R0.274 NC(=O)COCCSCCCCCCCCO 62a_100000033203_100000076697 [0,2,0,0,0,0|2,0,0]=4 6886 B16R0.274 NC(=O)COCCSCCCCCCCCO 62a_100000076697_100000033203 [0,2,0,0,0,0|2,0,0]=4 6887 B16R0.274 NC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747473 [0,2,0,0,0,0|2,0,0]=4 6888 B16R0.274 NC(=O)NCCNCCCCCCCCCO 2230a_100000078944_200000034859 [0,2,0,0,0,0|2,0,0]=4 6889 B16R0.274 NC(=O)NCCNCCCCCCCCCO 34a_100020590234_100009813782 [0,2,0,0,0,0|2,0,0]=4 6890 B16R0.274 NC(=O)NCCOCCCCCCCCCBr 7a_100009813782_200000034859 [0,2,0,0,0,0|1,0,0]=3 6891 B16R0.274 NC(=O)NCCOCCCCCCCCCCl 7a_100009868337_200000034859 [0,2,0,0,0,0|1,1,0]=4 6892 B16R0.274 NC(=O)NCCOCCCCCCCCCO 34a_100000181757_100009813782 [0,2,0,0,0,0|2,0,0]=4 6893 B16R0.274 NC(=O)NCCSCCCCCCCCCO 62a_100009813782_200000034859 [0,2,0,0,0,0|2,0,0]=4 6894 B16R0.274 NC(=O)NCCSCCCCCCCCCO 62a_200000034859_100009813782 [0,2,0,0,0,0|2,0,0]=4 6895 B16R0.274 NC(=O)OCCNCCCCCCCCCO 34a_100000078944_200011214921 [0,2,0,0,0,0|2,0,0]=4 6896 B16R0.274 NC(=O)OCCOCCCCCCCCCBr 34a_100009813782_200011214921 [0,2,0,0,0,0|1,0,0]=3 6897 B16R0.274 NC(=O)OCCOCCCCCCCCCBr 7a_100009813782_200011214921 [0,2,0,0,0,0|1,0,0]=3 6898 B16R0.274 NC(=O)OCCOCCCCCCCCCCl 34a_100009868337_200011214921 [0,2,0,0,0,0|1,1,0]=4 6899 B16R0.274 NC(=O)OCCOCCCCCCCCCCl 7a_100009868337_200011214921 [0,2,0,0,0,0|1,1,0]=4 6900 B16R0.274 NC(=O)OCCOCCCCCCCCCO 7a_100000766696_100009813782 [0,2,0,0,0,0|2,0,0]=4 6901 B16R0.274 NC(=O)OCCSCCCCCCCCCO 62a_100009813782_200011214921 [0,2,0,0,0,0|2,0,0]=4 6902 B16R0.274 NC(=O)OCCSCCCCCCCCCO 62a_200011214921_100009813782 [0,2,0,0,0,0|2,0,0]=4 6903 B16R0.274 NCCCCCCCCCCOCCC(=O)N 34a_100000066964_100000731001 [0,2,0,0,0,0|2,0,0]=4 6904 B16R0.274 NCCCCCCCCCOCCCC(=O)N 34a_100000078944_100102525003 [0,2,0,0,0,0|2,0,0]=4 6905 B16R0.274 NCCCCCCCCCOCCOC(=O)N 34a_100000078944_200011214921 [0,2,0,0,0,0|2,0,0]=4 6906 B16R0.274 NCCCCCCCCOCCOCC(=O)N 34a_102515433106_100000076697 [0,2,0,0,0,0|2,0,0]=4 6907 B16R0.274 NCCCCCCCOCCCCCC(=O)N 34a_100011996573_100009817443 [0,2,0,0,0,0|2,0,0]=4 6908 B16R0.274 NCCCOCCCOCCCCCC(=O)N 34a_100011310245_100009817443 [0,2,0,0,0,0|2,0,0]=4 6909 B16R0.274 NCCOCCCCCCCCCCC(=O)N 34a_100000210304_200010167045 [0,2,0,0,0,0|2,0,0]=4 6910 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [0,2,0,0,0,0|1,0,0]=3 6911 B16R0.274 O=C(O)COCCNCCCCCCCCO 269956a_100000700818_100000033203 [0,2,0,0,0,0|1,0,0]=3 6912 B16R0.274 O=C(O)COCCOCCNCCCCCF 269956a_100009854275_100000729378 [0,2,0,0,0,0|1,1,0]=4 6913 B16R0.274 O=C(O)COCCOCCNCCCCCO 269956a_100009854275_100000746330 [0,2,0,0,0,0|2,0,0]=4 6914 B16R0.274 O=C(O)CONCCCCCCCCCCO 269956a_100000106656_100009813290 [0,2,0,0,0,0|1,0,0]=3 6915 B16R0.274 O=C([O-])CCCCCOCCCCCCCO 7a_100102619762_100000760002 [0,2,0,0,0,0|1,0,1]=4 6916 B16R0.274 O=C([O-])COCCCCCCCCCCCBr 34a_100009812471_100020667443 [0,2,0,0,0,0|0,0,1]=3 6917 B16R0.274 O=C([O-])CSCCCCCCCCCCCO 62a_100009812471_100020667443 [0,2,0,0,0,0|1,0,1]=4 6918 B16R0.274 O=[N+]([O-])COCCCCCCCCCCCBr 34a_100009812471_100000761209 [0,2,0,0,0,0|1,0,1]=4 6919 B16R0.274 O=[N+]([O-])OCCCCOCCCCCCCBr 34a_100000760002_100015694321 [0,2,0,0,0,0|1,0,1]=4 6920 B16R0.274 O=[N+]([O-])OCCCCOCCCCCCCBr 7a_100000760002_100015694321 [0,2,0,0,0,0|1,0,1]=4 6921 B16R0.274 OB(O)CCCCCCOCCCCCCBr 34a_100011215345_100009817187 [0,2,0,0,0,0|1,0,1]=4 6922 B16R0.274 OB(O)CCCCCCOCCCCCCBr 7a_100011215345_100009817187 [0,2,0,0,0,0|1,0,1]=4 6923 B16R0.274 OB(O)CCCCCOCCCCCCCBr 34a_100000760002_200009817188 [0,2,0,0,0,0|1,0,1]=4 6924 B16R0.274 OB(O)CCCCCOCCCCCCCBr 7a_100000760002_200009817188 [0,2,0,0,0,0|1,0,1]=4 6925 B16R0.274 OB(O)CCCCOCCCCCCCCBr 34a_100009813846_200009817182 [0,2,0,0,0,0|1,0,1]=4 6926 B16R0.274 OB(O)CCCCOCCCCCCCCBr 7a_100009813846_200009817182 [0,2,0,0,0,0|1,0,1]=4 6927 B16R0.297 C#CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100153394163 [0,2,0,0,0,0|1,0,1]=4 6928 B16R0.297 C=CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100012355270 [0,2,0,0,0,0|1,0,1]=4 6929 B16R0.297 CC(CCCC(=O)[O-])OCCCCCCCO 7a_100000761597_100000760002 [0,2,0,0,0,0|1,0,1]=4 6930 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210558_100011215641 [0,2,0,0,0,0|2,0,0]=4 6931 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210558_100102525003 [0,2,0,0,0,0|2,0,0]=4 6932 B16R0.297 CCCCCCCCCC(C)OCCC(=O)C 7a_100011218016_100000053229 [0,2,0,0,0,0|2,0,0]=4 6933 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 34a_100011218016_100000731001 [0,2,0,0,0,0|2,0,0]=4 6934 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 7a_100011218016_100000744528 [0,2,0,0,0,0|2,0,0]=4 6935 B16R0.297 CCCCCCCCCN(C)CCCC(=O)C 269982a_100000232482_100011215641 [0,2,0,0,0,0|2,0,0]=4 6936 B16R0.297 CCCCCCCCCN(C)CCCC(=O)N 269982a_100000232482_100102525003 [0,2,0,0,0,0|2,0,0]=4 6937 B16R0.297 CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210670 [0,2,0,0,0,0|1,0,0]=3 6938 B16R0.297 CCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210759 [0,2,0,0,0,0|1,0,1]=4 6939 B16R0.297 CN(CCCCCCCCO)CCCC(=O)O 269956a_100000719178_100000033203 [0,2,0,0,0,0|1,0,0]=3 6940 B16R0.1188 CC(C)(O)CCCCCOCCCCCCBr 34a_100011215345_100010402123 [0,2,0,0,0,0|1,0,1]=4 6941 B16R0.1188 CC(C)(O)CCCCCOCCCCCCBr 7a_100011215345_100010402123 [0,2,0,0,0,0|1,0,1]=4 6942 B16R0.1188 CC(C)(O)CCCOCCCCCCCCBr 34a_100009813846_100009888830 [0,2,0,0,0,0|1,0,1]=4 6943 B16R0.1188 CC(C)(O)CCCOCCCCCCCCBr 7a_100009813846_100009888830 [0,2,0,0,0,0|1,0,1]=4 6944 B16R0.1188 CC(C)(O)CCOCCCCCCCCCBr 34a_100009813782_100000702414 [0,2,0,0,0,0|1,0,1]=4 6945 B16R0.1188 CC(C)(O)CCOCCCCCCCCCBr 7a_100009813782_100000702414 [0,2,0,0,0,0|1,0,1]=4 6946 B16R0.1188 CC(C)(O)COCCCCCCCCCCBr 34a_100009813290_100000764493 [0,2,0,0,0,0|1,0,1]=4 6947 B16R0.1188 CC(C)(O)COCCCCCCCCCCBr 7a_100009813290_100000764493 [0,2,0,0,0,0|1,0,1]=4 6948 B16R0.1188 CS(=O)(=O)CCCOCCCCCCCCBr 34a_100009813846_100000754308 [0,2,0,0,0,0|1,0,1]=4 6949 B16R0.1188 CS(=O)(=O)CCCOCCCCCCCCBr 7a_100009813846_100000754308 [0,2,0,0,0,0|1,0,1]=4 6950 B16R0.1188 CS(=O)(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731031 [0,2,0,0,0,0|1,0,1]=4 6951 B16R0.1188 CS(=O)(=O)CCOCCCCCCCCCBr 7a_100009813782_100000230027 [0,2,0,0,0,0|1,0,1]=4 6952 B16R0.1188 NS(=O)(=O)CCCOCCCCCCCCBr 34a_100009813846_100000750626 [0,2,0,0,0,0|1,0,1]=4 6953 B16R0.1188 NS(=O)(=O)CCCOCCCCCCCCBr 7a_100009813846_100000750626 [0,2,0,0,0,0|1,0,1]=4 6954 B16R0.1188 O=S(=O)([O-])CCCOCCCCCCCCBr 34a_100009813846_100009813499 [0,2,0,0,0,0|1,0,1]=4 6955 B16R0.1188 O=S(=O)([O-])CCOCCCCCCCCCBr 34a_100009813782_100000762736 [0,2,0,0,0,0|1,0,1]=4 6956 B16R0.1188 O=S(=O)([O-])COCCCCCCCCCCBr 34a_100009813290_100009817235 [0,2,0,0,0,0|1,0,1]=4 6957 B16R0.1469 NCCCC[C@H](N)COCCCCCC(=O)N 34a_100016993712_100009817443 [0,2,0,0,0,0|2,0,0]=4 6958 B16R0.3288 CC(=O)CCCCNCCCCCCC(C)C 34a_100000211014_100009817362 [0,2,0,0,0,0|2,0,0]=4 6959 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000685027 [0,2,0,0,0,0|2,0,0]=4 6960 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100011215641 [0,2,0,0,0,0|2,0,0]=4 6961 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 34a_200000210741_100102525003 [0,2,0,0,0,0|2,0,0]=4 6962 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 7a_200000210741_100102525003 [0,2,0,0,0,0|2,0,0]=4 6963 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 2230a_100011290863_100009817443 [0,2,0,0,0,0|2,0,0]=4 6964 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 34a_100011290863_100009817443 [0,2,0,0,0,0|2,0,0]=4 6965 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100000123541_100000210682 [0,2,0,0,0,0|2,0,0]=4 6966 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100011995859_100009817443 [0,2,0,0,0,0|2,0,0]=4 6967 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100000123541_100000210682 [0,2,0,0,0,0|2,0,0]=4 6968 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100011995859_100009817443 [0,2,0,0,0,0|2,0,0]=4 6969 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210682 [0,2,0,0,0,0|1,0,1]=4 6970 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100000210682_100009817443 [0,2,0,0,0,0|2,0,0]=4 6971 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100009817443_100000210682 [0,2,0,0,0,0|2,0,0]=4 6972 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 2230a_100138425928_200010167045 [0,2,0,0,0,0|2,0,0]=4 6973 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 34a_100138425928_200010167045 [0,2,0,0,0,0|2,0,0]=4 6974 B16R0.3288 CC(C)OCCCCCCCCCCC(=O)N 34a_100000212225_200010167045 [0,2,0,0,0,0|2,0,0]=4 6975 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_100000210206_200010167045 [0,2,0,0,0,0|2,0,0]=4 6976 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000210206 [0,2,0,0,0,0|2,0,0]=4 6977 B16R0.862 CC(=O)CCCCOC(C)(C)CCCCCBr 7a_100010402123_100000735457 [0,2,0,0,0,0|2,0,0]=4 6978 B16R0.4707 C#CC(CCCCCBr)OCCCCC(=O)C 34a_200010408556_100009817362 [0,2,0,0,0,0|2,0,0]=4 6979 B16R0.4707 C#CC(CCCCCBr)OCCCCC(=O)C 7a_200010408556_100000735457 [0,2,0,0,0,0|2,0,0]=4 6980 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [1,0,0,1,0,0|2,0,0]=4 6981 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [1,0,0,1,0,0|2,0,0]=4 6982 B14R1.96 CCC1CCCCC1NCCC(=O)N 269862a_100000740010_100000757040 [1,0,0,1,0,0|2,0,0]=4 6983 B14R1.96 CCC1CCCCC1OCCC(=O)C 7a_100000210738_100000053229 [1,0,0,1,0,0|2,0,0]=4 6984 B14R1.96 CCC1CCCCC1OCCC(=O)N 34a_100000210738_100000731001 [1,0,0,1,0,0|2,0,0]=4 6985 B14R1.96 CCC1CCCCC1OCCC(=O)N 7a_100000210738_100000744528 [1,0,0,1,0,0|2,0,0]=4 6986 B14R1.96 CCC1CCCCN1CCCC(=O)C 269982a_100000210034_100011215641 [1,0,0,1,0,0|2,0,0]=4 6987 B14R1.96 CCC1CCCCN1CCCC(=O)C 34a_100000210034_100000685027 [1,0,0,1,0,0|2,0,0]=4 6988 B14R1.96 CCC1CCCCN1CCCC(=O)N 269982a_100000210034_100102525003 [1,0,0,1,0,0|2,0,0]=4 6989 B14R1.96 CCC1CCCCN1CCCC(=O)N 34a_100000210034_100102525003 [1,0,0,1,0,0|2,0,0]=4 6990 B14R1.108 CCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000749056 [1,0,0,1,0,0|2,0,0]=4 6991 B14R1.108 CCC1CCCN1CCCCC(=O)C 269982a_100000754278_100000735457 [1,0,0,1,0,0|2,0,0]=4 6992 B14R1.108 CCC1CCCN1CCCCC(=O)C 34a_100000754278_100009817362 [1,0,0,1,0,0|2,0,0]=4 6993 B14R1.122 CCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210614 [1,0,0,1,0,0|2,0,0]=4 6994 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [1,0,0,1,0,0|2,0,0]=4 6995 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [1,0,0,1,0,0|2,0,0]=4 6996 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [1,0,0,1,0,0|2,0,0]=4 6997 B14R1.122 CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000210581_100015189358 [1,0,0,1,0,0|2,0,0]=4 6998 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210314 [1,0,0,1,0,0|2,0,0]=4 6999 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210314 [1,0,0,1,0,0|2,0,0]=4 7000 B14R1.122 CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210314 [1,0,0,1,0,0|2,0,0]=4 7001 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [1,0,0,1,0,0|2,0,0]=4 7002 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [1,0,0,1,0,0|2,0,0]=4 7003 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [1,0,0,1,0,0|2,0,0]=4 7004 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [1,0,0,1,0,0|2,0,0]=4 7005 B14R1.122 CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210259_100015189358 [1,0,0,1,0,0|2,0,0]=4 7006 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [1,0,0,1,0,0|2,0,0]=4 7007 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [1,0,0,1,0,0|2,0,0]=4 7008 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [1,0,0,1,0,0|2,0,0]=4 7009 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [1,0,0,1,0,0|2,0,0]=4 7010 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210314_100015189358 [1,0,0,1,0,0|2,0,0]=4 7011 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210757 [1,0,0,1,0,0|2,0,0]=4 7012 B14R1.122 O=C1CC[C@H](N1)COCCCCCBr 7a_100000746331_100015189358 [1,0,0,1,0,0|2,0,0]=4 7013 B14R1.122 O=C1NCC(O1)COCCCCCBr 34a_100000746331_100000181169 [1,0,0,1,0,0|2,0,0]=4 7014 B14R1.122 O=C1NCC(O1)COCCCCCBr 7a_100000746331_100000181169 [1,0,0,1,0,0|2,0,0]=4 7015 B14R1.122 O=C1OCC(O1)COCCCCCBr 34a_100000746331_100000073702 [1,0,0,1,0,0|2,0,0]=4 7016 B14R1.122 O=C1OCC(O1)OCCCCCCBr 34a_100011215345_100000032252 [1,0,0,1,0,0|2,0,0]=4 7017 B14R1.159 CC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000735457 [1,0,0,1,0,0|2,0,0]=4 7018 B14R1.159 CC(=O)CCCCN1CCCCC1C 34a_100000211376_100009817362 [1,0,0,1,0,0|2,0,0]=4 7019 B14R1.159 CC(=O)CCCNC1CCCCC1C 34a_100000211402_100000685027 [1,0,0,1,0,0|2,0,0]=4 7020 B14R1.159 CC(=O)CCCOC1CCCCC1C 34a_100000211207_100000685027 [1,0,0,1,0,0|2,0,0]=4 7021 B14R1.159 CC(=O)CCCOC1CCCCC1C 7a_100000211207_100011215641 [1,0,0,1,0,0|2,0,0]=4 7022 B14R1.159 CC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000210921 [1,0,0,1,0,0|2,0,0]=4 7023 B14R1.159 CC1CCCCC1NCCCC(=O)N 34a_100000211402_100102525003 [1,0,0,1,0,0|2,0,0]=4 7024 B14R1.159 CC1CCCCC1OCCCC(=O)N 34a_100000211207_100102525003 [1,0,0,1,0,0|2,0,0]=4 7025 B14R1.159 CC1CCCCC1OCCCC(=O)N 7a_100000211207_100102525003 [1,0,0,1,0,0|2,0,0]=4 7026 B14R1.159 CN1CCCCC1CCNCC(=O)O 269956a_100016091260_100000211948 [1,0,0,1,0,0|2,0,0]=4 7027 B14R1.168 CC(=O)CCCCOC1CCCC1C 34a_100011216460_100009817362 [1,0,0,1,0,0|2,0,0]=4 7028 B14R1.168 CC(=O)CCCCOC1CCCC1C 7a_100011216460_100000735457 [1,0,0,1,0,0|2,0,0]=4 7029 B14R1.168 CC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000752053 [1,0,0,1,0,0|2,0,0]=4 7030 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 2230a_100015189458_100009817443 [1,0,0,1,0,0|2,0,0]=4 7031 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 269982a_100015189458_100009817443 [1,0,0,1,0,0|2,0,0]=4 7032 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 34a_100015189458_100009817443 [1,0,0,1,0,0|2,0,0]=4 7033 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 2230a_100020605311_100009817443 [1,0,0,1,0,0|2,0,0]=4 7034 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 269982a_100020605311_100009817443 [1,0,0,1,0,0|2,0,0]=4 7035 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210314 [1,0,0,1,0,0|2,0,0]=4 7036 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [1,0,0,1,0,0|1,0,0]=3 7037 B14R1.233 CCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210757 [1,0,0,1,0,0|2,0,0]=4 7038 B14R1.233 CCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210757 [1,0,0,1,0,0|2,0,0]=4 7039 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011995733 [1,0,0,1,0,0|2,0,0]=4 7040 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215938 [1,0,0,1,0,0|2,0,0]=4 7041 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012232248 [1,0,0,1,0,0|2,0,0]=4 7042 B14R1.233 COCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730899 [1,0,0,1,0,0|2,0,0]=4 7043 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCF 269956a_100000743916_100000729378 [1,0,0,1,0,0|1,1,0]=4 7044 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCO 269956a_100000743916_100000746330 [1,0,0,1,0,0|2,0,0]=4 7045 B14R1.241 CC1CC1COCCCCCC(=O)N 34a_100000744939_100009817443 [1,0,0,1,0,0|2,0,0]=4 7046 B14R1.241 CC1CC1COCCCCCC(=O)N 7a_100000744939_100009817443 [1,0,0,1,0,0|2,0,0]=4 7047 B14R1.422 CC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000210301 [1,0,0,1,0,0|2,0,0]=4 7048 B14R1.422 CC(=O)CCCCNC1CCCCC1 34a_100000182618_100009817362 [1,0,0,1,0,0|2,0,0]=4 7049 B14R1.422 CC(=O)CCCCOC1CCCCC1 34a_100000210231_100009817362 [1,0,0,1,0,0|2,0,0]=4 7050 B14R1.422 CC(=O)CCCCOC1CCCCC1 7a_100000210231_100000735457 [1,0,0,1,0,0|2,0,0]=4 7051 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000210327_100000735457 [1,0,0,1,0,0|2,0,0]=4 7052 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000735457_100000210327 [1,0,0,1,0,0|2,0,0]=4 7053 B14R1.422 CC(=O)CCCNCC1CCCCC1 34a_100000210473_100000685027 [1,0,0,1,0,0|2,0,0]=4 7054 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000212181_100000685027 [1,0,0,1,0,0|2,0,0]=4 7055 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000759063_100000211423 [1,0,0,1,0,0|2,0,0]=4 7056 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000212181_100011215641 [1,0,0,1,0,0|2,0,0]=4 7057 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000759063_100000211423 [1,0,0,1,0,0|2,0,0]=4 7058 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100000211423_100011215641 [1,0,0,1,0,0|2,0,0]=4 7059 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100011215641_100000211423 [1,0,0,1,0,0|2,0,0]=4 7060 B14R1.422 CC(=O)CCOCCC1CCCCC1 34a_100000759926_100011209188 [1,0,0,1,0,0|2,0,0]=4 7061 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100000759926_100011273959 [1,0,0,1,0,0|2,0,0]=4 7062 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100011217863_100000053229 [1,0,0,1,0,0|2,0,0]=4 7063 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100000053229_100012355289 [1,0,0,1,0,0|2,0,0]=4 7064 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100012355289_100000053229 [1,0,0,1,0,0|2,0,0]=4 7065 B14R1.422 CC(=O)COCCCC1CCCCC1 34a_100000211253_100011713725 [1,0,0,1,0,0|2,0,0]=4 7066 B14R1.422 NC(=O)CCCCNC1CCCCC1 270004a_100000696515_100000210434 [1,0,0,1,0,0|2,0,0]=4 7067 B14R1.422 NC(=O)CCCCNC1CCCCC1 34a_100000696515_100000210327 [1,0,0,1,0,0|2,0,0]=4 7068 B14R1.422 NC(=O)CCCCOC1CCCCC1 34a_100012022536_100000210327 [1,0,0,1,0,0|2,0,0]=4 7069 B14R1.422 NC(=O)CCCCOC1CCCCC1 7a_100012022536_100000210327 [1,0,0,1,0,0|2,0,0]=4 7070 B14R1.422 NC(=O)CCCNCC1CCCCC1 269862a_100000739312_100000211278 [1,0,0,1,0,0|2,0,0]=4 7071 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000210473_100102525003 [1,0,0,1,0,0|2,0,0]=4 7072 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000739312_100000211423 [1,0,0,1,0,0|2,0,0]=4 7073 B14R1.422 NC(=O)CCCOCC1CCCCC1 34a_100000212181_100102525003 [1,0,0,1,0,0|2,0,0]=4 7074 B14R1.422 NC(=O)CCCOCC1CCCCC1 7a_100000212181_100102525003 [1,0,0,1,0,0|2,0,0]=4 7075 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100000211423_100102525003 [1,0,0,1,0,0|2,0,0]=4 7076 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100102525003_100000211423 [1,0,0,1,0,0|2,0,0]=4 7077 B14R1.422 NC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000744528 [1,0,0,1,0,0|2,0,0]=4 7078 B14R1.422 NC(=O)CCNCCC1CCCCC1 34a_100000738074_100000731001 [1,0,0,1,0,0|2,0,0]=4 7079 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100000757172_100011209188 [1,0,0,1,0,0|2,0,0]=4 7080 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100011217863_100000731001 [1,0,0,1,0,0|2,0,0]=4 7081 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100000757172_100011273959 [1,0,0,1,0,0|2,0,0]=4 7082 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100011217863_100000744528 [1,0,0,1,0,0|2,0,0]=4 7083 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100000744528_100012355289 [1,0,0,1,0,0|2,0,0]=4 7084 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100012355289_100000744528 [1,0,0,1,0,0|2,0,0]=4 7085 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100000711301_100011713725 [1,0,0,1,0,0|2,0,0]=4 7086 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747473 [1,0,0,1,0,0|2,0,0]=4 7087 B14R1.422 NC(=O)CNCCCC1CCCCC1 34a_100011211642_100000187820 [1,0,0,1,0,0|2,0,0]=4 7088 B14R1.422 NC(=O)COCCCC1CCCCC1 34a_100000198086_100000187820 [1,0,0,1,0,0|2,0,0]=4 7089 B14R1.422 NC(=O)COCCCC1CCCCC1 7a_100000198086_100000187820 [1,0,0,1,0,0|2,0,0]=4 7090 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100000747473_100011713725 [1,0,0,1,0,0|2,0,0]=4 7091 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747473 [1,0,0,1,0,0|2,0,0]=4 7092 B14R1.422 O=C(O)CNCCCC1CCCCC1 269956a_100016091260_100011713725 [1,0,0,1,0,0|1,0,0]=3 7093 B14R1.422 O=C(O)CNCCCN1CCCCC1 269956a_100016091260_100000007876 [1,0,0,1,0,0|2,0,0]=4 7094 B14R1.422 O=C(O)CNCCOC1CCCCC1 269956a_100016091260_100011211530 [1,0,0,1,0,0|2,0,0]=4 7095 B14R1.422 O=C(O)COCCNC1CCCCC1 269956a_100000700818_100000210327 [1,0,0,1,0,0|2,0,0]=4 7096 B14R1.422 O=C(O)CONCCC1CCCCC1 269956a_100000106656_100011273959 [1,0,0,1,0,0|2,0,0]=4 7097 B14R1.422 O=C([O-])CNCCCC1CCCCC1 34a_100011211642_100020667443 [1,0,0,1,0,0|1,0,1]=4 7098 B14R1.422 O=C([O-])COCCCC1CCCCC1 34a_100000198086_100020667443 [1,0,0,1,0,0|1,0,1]=4 7099 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100011713725_100020667443 [1,0,0,1,0,0|1,0,1]=4 7100 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100020667443_100011713725 [1,0,0,1,0,0|1,0,1]=4 7101 B14R1.422 [13CH3]C(=O)CCCCCN1CCCCC1 1458a_100012051570_200025704644 [1,0,0,1,0,0|2,0,0]=4 7102 B14R1.427 CC(=O)CCCCNCC1CCCC1 34a_100000737975_100009817362 [1,0,0,1,0,0|2,0,0]=4 7103 B14R1.427 CC(=O)CCCCOCC1CCCC1 34a_100000742336_100009817362 [1,0,0,1,0,0|2,0,0]=4 7104 B14R1.427 CC(=O)CCCCOCC1CCCC1 7a_100000742336_100000735457 [1,0,0,1,0,0|2,0,0]=4 7105 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000735457_100000740388 [1,0,0,1,0,0|2,0,0]=4 7106 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000740388_100000735457 [1,0,0,1,0,0|2,0,0]=4 7107 B14R1.427 CC(=O)CCCNCCC1CCCC1 34a_100000739158_100000685027 [1,0,0,1,0,0|2,0,0]=4 7108 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000749090_100000685027 [1,0,0,1,0,0|2,0,0]=4 7109 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000759063_100000760354 [1,0,0,1,0,0|2,0,0]=4 7110 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000749090_100011215641 [1,0,0,1,0,0|2,0,0]=4 7111 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000759063_100000760354 [1,0,0,1,0,0|2,0,0]=4 7112 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100000760354_100011215641 [1,0,0,1,0,0|2,0,0]=4 7113 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100011215641_100000760354 [1,0,0,1,0,0|2,0,0]=4 7114 B14R1.427 CC(=O)CCOCCCC1CCCC1 34a_100000759926_100011713738 [1,0,0,1,0,0|2,0,0]=4 7115 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100000759926_100011713738 [1,0,0,1,0,0|2,0,0]=4 7116 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100011215328_100000053229 [1,0,0,1,0,0|2,0,0]=4 7117 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100000053229_100011713738 [1,0,0,1,0,0|2,0,0]=4 7118 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100011713738_100000053229 [1,0,0,1,0,0|2,0,0]=4 7119 B14R1.427 NC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009817443 [1,0,0,1,0,0|2,0,0]=4 7120 B14R1.427 NC(=O)CCCCCNC1CCCC1 34a_100000211070_100009817443 [1,0,0,1,0,0|2,0,0]=4 7121 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000123541_100000179811 [1,0,0,1,0,0|2,0,0]=4 7122 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000210269_100009817443 [1,0,0,1,0,0|2,0,0]=4 7123 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000123541_100000179811 [1,0,0,1,0,0|2,0,0]=4 7124 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000210269_100009817443 [1,0,0,1,0,0|2,0,0]=4 7125 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100009817443_100000179811 [1,0,0,1,0,0|2,0,0]=4 7126 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100011217020_100009817443 [1,0,0,1,0,0|2,0,0]=4 7127 B14R1.427 NC(=O)CCCCNCC1CCCC1 269862a_100000696515_100000746403 [1,0,0,1,0,0|2,0,0]=4 7128 B14R1.427 NC(=O)CCCCNCC1CCCC1 34a_100000696515_100000740388 [1,0,0,1,0,0|2,0,0]=4 7129 B14R1.427 NC(=O)CCCCOCC1CCCC1 34a_100012022536_100000740388 [1,0,0,1,0,0|2,0,0]=4 7130 B14R1.427 NC(=O)CCCCOCC1CCCC1 7a_100012022536_100000740388 [1,0,0,1,0,0|2,0,0]=4 7131 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739158_100102525003 [1,0,0,1,0,0|2,0,0]=4 7132 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739312_100000760354 [1,0,0,1,0,0|2,0,0]=4 7133 B14R1.427 NC(=O)CCCOCCC1CCCC1 34a_100000749090_100102525003 [1,0,0,1,0,0|2,0,0]=4 7134 B14R1.427 NC(=O)CCCOCCC1CCCC1 7a_100000749090_100102525003 [1,0,0,1,0,0|2,0,0]=4 7135 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100000760354_100102525003 [1,0,0,1,0,0|2,0,0]=4 7136 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100102525003_100000760354 [1,0,0,1,0,0|2,0,0]=4 7137 B14R1.427 NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000744528 [1,0,0,1,0,0|2,0,0]=4 7138 B14R1.427 NC(=O)CCNCCCC1CCCC1 34a_100000736752_100000731001 [1,0,0,1,0,0|2,0,0]=4 7139 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100000757172_100011713738 [1,0,0,1,0,0|2,0,0]=4 7140 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100011215328_100000731001 [1,0,0,1,0,0|2,0,0]=4 7141 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100000757172_100011713738 [1,0,0,1,0,0|2,0,0]=4 7142 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000744528 [1,0,0,1,0,0|2,0,0]=4 7143 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100000744528_100011713738 [1,0,0,1,0,0|2,0,0]=4 7144 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000744528 [1,0,0,1,0,0|2,0,0]=4 7145 B14R1.427 O=C(O)COCCNCC1CCCC1 269956a_100000700818_100000740388 [1,0,0,1,0,0|2,0,0]=4 7146 B14R1.427 O=C(O)CONCCCC1CCCC1 269956a_100000106656_100011713738 [1,0,0,1,0,0|2,0,0]=4 7147 B14R1.427 O=C([O-])CCCCCOC1CCCC1 7a_100102619762_100000179811 [1,0,0,1,0,0|1,0,1]=4 7148 B14R1.482 CCCC1CCCCC1OCC(=O)N 34a_100011217265_100000187820 [1,0,0,1,0,0|2,0,0]=4 7149 B14R1.482 CCCC1CCCCC1OCC(=O)N 7a_100011217265_100000187820 [1,0,0,1,0,0|2,0,0]=4 7150 B14R1.482 CCCC1CCCCC1OCC(=O)[O-] 34a_100011217265_100020667443 [1,0,0,1,0,0|1,0,1]=4 7151 B14R1.482 CCCC1CCCCN1CCC(=O)C 269982a_100000701414_100000053229 [1,0,0,1,0,0|2,0,0]=4 7152 B14R1.482 CCCC1CCCCN1CCC(=O)N 2230a_100000701414_100000744528 [1,0,0,1,0,0|2,0,0]=4 7153 B14R1.482 CCCC1CCCCN1CCC(=O)N 269982a_100000701414_100000744528 [1,0,0,1,0,0|2,0,0]=4 7154 B14R1.482 CCCC1CCCCN1CCC(=O)N 34a_100000701414_100000731001 [1,0,0,1,0,0|2,0,0]=4 7155 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [1,0,0,1,0,0|1,0,0]=3 7156 B14R1.482 COCN1CCCCC1CCC(=O)O 269956a_100000694054_100000766300 [1,0,0,1,0,0|2,0,0]=4 7157 B14R1.482 CSCN1CCCCC1CCC(=O)O 269956a_100000694054_100011218213 [1,0,0,1,0,0|2,0,0]=4 7158 B14R1.482 O=C(O)CCC1CCCCN1CCF 269956a_100000694054_100011217306 [1,0,0,1,0,0|1,1,0]=4 7159 B14R1.482 O=C(O)CCC1CCCCN1CCO 269956a_100000694054_100000211926 [1,0,0,1,0,0|2,0,0]=4 7160 B14R1.498 CCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000723119 [1,0,0,1,0,0|2,0,0]=4 7161 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [1,0,0,1,0,0|1,0,0]=3 7162 B14R1.651 CCOCN1CCCCCC1C(=O)O 269956a_100000758484_100000739092 [1,0,0,1,0,0|2,0,0]=4 7163 B14R1.651 COCCN1CCCCCC1C(=O)O 269956a_100000758484_100000233755 [1,0,0,1,0,0|2,0,0]=4 7164 B14R1.651 CSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000212216 [1,0,0,1,0,0|2,0,0]=4 7165 B14R1.651 O=C(O)C1CCCCCN1CCCF 269956a_100000758484_100011934791 [1,0,0,1,0,0|1,1,0]=4 7166 B14R1.651 O=C(O)C1CCCCCN1CCCO 269956a_100000758484_100011215043 [1,0,0,1,0,0|2,0,0]=4 7167 B14R1.767 CCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210317 [1,0,0,1,0,0|2,0,0]=4 7168 B14R1.767 CCCCCCCNCC1CC(=O)C1 2230a_100000229938_100009874392 [1,0,0,1,0,0|2,0,0]=4 7169 B14R1.767 CCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210614 [1,0,0,1,0,0|2,0,0]=4 7170 B14R1.767 CCCCCCCOCC1CC(=O)C1 7a_100000210272_100009874392 [1,0,0,1,0,0|2,0,0]=4 7171 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100000210614_100009874392 [1,0,0,1,0,0|2,0,0]=4 7172 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210316 [1,0,0,1,0,0|2,0,0]=4 7173 B14R1.767 O=C1CC(C1)COCCCCCCBr 7a_100011215345_100009874392 [1,0,0,1,0,0|2,0,0]=4 7174 B14R1.786 CCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210211 [1,0,0,1,0,0|2,0,0]=4 7175 B14R1.786 CCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210211 [1,0,0,1,0,0|2,0,0]=4 7176 B14R1.786 CCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210210 [1,0,0,1,0,0|2,0,0]=4 7177 B14R1.903 CCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210326 [1,0,0,1,0,0|2,0,0]=4 7178 B14R1.903 CCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210215 [1,0,0,1,0,0|2,0,0]=4 7179 B14R1.903 CCCCCN1CCCCC1C(=O)N 34a_100000181395_100000718602 [1,0,0,1,0,0|2,0,0]=4 7180 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [1,0,0,1,0,0|1,0,0]=3 7181 B14R1.903 CCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210326 [1,0,0,1,0,0|2,0,0]=4 7182 B14R1.903 CCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210326 [1,0,0,1,0,0|2,0,0]=4 7183 B14R1.903 CCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210326 [1,0,0,1,0,0|2,0,0]=4 7184 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [1,0,0,1,0,0|1,0,0]=3 7185 B14R1.903 CCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210147 [1,0,0,1,0,0|2,0,0]=4 7186 B14R1.903 CCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000739092 [1,0,0,1,0,0|2,0,0]=4 7187 B14R1.903 CCSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000757381 [1,0,0,1,0,0|2,0,0]=4 7188 B14R1.903 COCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000740836 [1,0,0,1,0,0|2,0,0]=4 7189 B14R1.903 COCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000233755 [1,0,0,1,0,0|2,0,0]=4 7190 B14R1.903 CSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000212216 [1,0,0,1,0,0|2,0,0]=4 7191 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCF 269956a_100009816435_100011934791 [1,0,0,1,0,0|1,1,0]=4 7192 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCO 269956a_100009816435_100011215043 [1,0,0,1,0,0|2,0,0]=4 7193 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCF 269956a_100000763471_100000729493 [1,0,0,1,0,0|1,1,0]=4 7194 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCO 269956a_100000763471_100000210776 [1,0,0,1,0,0|2,0,0]=4 7195 B14R1.1454 CC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011215641 [1,0,0,1,0,0|2,0,0]=4 7196 B14R1.1454 CC(=O)CCCN1CCCCCCC1 34a_100000211400_100000685027 [1,0,0,1,0,0|2,0,0]=4 7197 B14R1.1454 CC(=O)CCOC1CCCCCCC1 7a_100000210054_100000053229 [1,0,0,1,0,0|2,0,0]=4 7198 B14R1.1454 CC(=O)NCCC1CCCCCCC1 11a_100011532352_100015343762 [1,0,0,1,0,0|2,0,0]=4 7199 B14R1.1454 CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100015343762 [1,0,0,1,0,0|2,0,0]=4 7200 B14R1.1454 CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100015343762 [1,0,0,1,0,0|2,0,0]=4 7201 B14R1.1454 CC(=O)NCCC1CCCCCCC1 527a_100011532352_100103153847 [1,0,0,1,0,0|2,0,0]=4 7202 B14R1.1454 NC(=O)CCCN1CCCCCCC1 269982a_100000211400_100102525003 [1,0,0,1,0,0|2,0,0]=4 7203 B14R1.1454 NC(=O)CCCN1CCCCCCC1 34a_100000211400_100102525003 [1,0,0,1,0,0|2,0,0]=4 7204 B14R1.1454 NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000744528 [1,0,0,1,0,0|2,0,0]=4 7205 B14R1.1454 NC(=O)CCNC1CCCCCCC1 34a_100000211152_100000731001 [1,0,0,1,0,0|2,0,0]=4 7206 B14R1.1454 NC(=O)CCOC1CCCCCCC1 34a_100000210054_100000731001 [1,0,0,1,0,0|2,0,0]=4 7207 B14R1.1454 NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000744528 [1,0,0,1,0,0|2,0,0]=4 7208 B14R1.1454 NC(=O)COCC1CCCCCCC1 34a_100011216312_100000187820 [1,0,0,1,0,0|2,0,0]=4 7209 B14R1.1454 NC(=O)COCC1CCCCCCC1 7a_100011216312_100000187820 [1,0,0,1,0,0|2,0,0]=4 7210 B14R1.1454 O=C([O-])COCC1CCCCCCC1 34a_100011216312_100020667443 [1,0,0,1,0,0|1,0,1]=4 7211 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [1,0,0,1,0,0|1,0,0]=3 7212 B14R1.3447 CCCCOCCN1CCC1C(=O)O 269956a_100000021838_100000743108 [1,0,0,1,0,0|2,0,0]=4 7213 B14R1.3447 O=C(O)C1CCN1CCCCCCF 269956a_100000021838_100015922095 [1,0,0,1,0,0|1,1,0]=4 7214 B14R1.3447 O=C(O)C1CCN1CCCCCCO 269956a_100000021838_100000766143 [1,0,0,1,0,0|2,0,0]=4 7215 B14R1.4521 NC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009817443 [1,0,0,1,0,0|2,0,0]=4 7216 B14R1.4521 NC(=O)CCCCCNCC1CCC1 34a_100000738700_100009817443 [1,0,0,1,0,0|2,0,0]=4 7217 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000123541_100000763275 [1,0,0,1,0,0|2,0,0]=4 7218 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000760304_100009817443 [1,0,0,1,0,0|2,0,0]=4 7219 B14R1.4521 NC(=O)CCCCCOCC1CCC1 7a_100000123541_100000763275 [1,0,0,1,0,0|2,0,0]=4 7220 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100000763275_100009817443 [1,0,0,1,0,0|2,0,0]=4 7221 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100009817443_100000763275 [1,0,0,1,0,0|2,0,0]=4 7222 B14R1.4521 O=C([O-])CCCCCOCC1CCC1 7a_100102619762_100000763275 [1,0,0,1,0,0|1,0,1]=4 7223 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [1,0,0,1,0,0|1,0,0]=3 7224 B14R1.5254 O=C(O)[C@H]1CCCCCC[C@H]1NCF 269956a_200049070474_100015361967 [1,0,0,1,0,0|1,1,0]=4 7225 B14R1.6335 CC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000053229 [1,0,0,1,0,0|2,0,0]=4 7226 B14R1.6335 NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000744528 [1,0,0,1,0,0|2,0,0]=4 7227 B14R1.6335 NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000744528 [1,0,0,1,0,0|2,0,0]=4 7228 B14R1.6335 NC(=O)CCN1CCCCCCCC1 34a_100000039187_100000731001 [1,0,0,1,0,0|2,0,0]=4 7229 B14R1.6343 CC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000735457 [1,0,0,1,0,0|2,0,0]=4 7230 B14R1.6343 CC(=O)CCCCN1CCCCCC1 34a_100000185865_100009817362 [1,0,0,1,0,0|2,0,0]=4 7231 B14R1.6343 CC(=O)CCCNC1CCCCCC1 34a_100000210984_100000685027 [1,0,0,1,0,0|2,0,0]=4 7232 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000210887_100000685027 [1,0,0,1,0,0|2,0,0]=4 7233 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000759063_100011217769 [1,0,0,1,0,0|2,0,0]=4 7234 B14R1.6343 CC(=O)CCCOC1CCCCCC1 7a_100000210887_100011215641 [1,0,0,1,0,0|2,0,0]=4 7235 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011215641_100011217769 [1,0,0,1,0,0|2,0,0]=4 7236 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011217769_100011215641 [1,0,0,1,0,0|2,0,0]=4 7237 B14R1.6343 CC(=O)CCOCC1CCCCCC1 34a_100000759926_200000696569 [1,0,0,1,0,0|2,0,0]=4 7238 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000699130_100000053229 [1,0,0,1,0,0|2,0,0]=4 7239 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000759926_200000696569 [1,0,0,1,0,0|2,0,0]=4 7240 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_100000053229_200000696569 [1,0,0,1,0,0|2,0,0]=4 7241 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_200000696569_100000053229 [1,0,0,1,0,0|2,0,0]=4 7242 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000210984_100102525003 [1,0,0,1,0,0|2,0,0]=4 7243 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000739312_100011217769 [1,0,0,1,0,0|2,0,0]=4 7244 B14R1.6343 NC(=O)CCCOC1CCCCCC1 34a_100000210887_100102525003 [1,0,0,1,0,0|2,0,0]=4 7245 B14R1.6343 NC(=O)CCCOC1CCCCCC1 7a_100000210887_100102525003 [1,0,0,1,0,0|2,0,0]=4 7246 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100011217769_100102525003 [1,0,0,1,0,0|2,0,0]=4 7247 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100102525003_100011217769 [1,0,0,1,0,0|2,0,0]=4 7248 B14R1.6343 NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000744528 [1,0,0,1,0,0|2,0,0]=4 7249 B14R1.6343 NC(=O)CCNCC1CCCCCC1 269862a_100000740010_200000763224 [1,0,0,1,0,0|2,0,0]=4 7250 B14R1.6343 NC(=O)CCNCC1CCCCCC1 34a_100015204231_100000731001 [1,0,0,1,0,0|2,0,0]=4 7251 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000699130_100000731001 [1,0,0,1,0,0|2,0,0]=4 7252 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000757172_200000696569 [1,0,0,1,0,0|2,0,0]=4 7253 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000744528 [1,0,0,1,0,0|2,0,0]=4 7254 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000757172_200000696569 [1,0,0,1,0,0|2,0,0]=4 7255 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_100000744528_200000696569 [1,0,0,1,0,0|2,0,0]=4 7256 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000744528 [1,0,0,1,0,0|2,0,0]=4 7257 B14R1.6343 NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747473 [1,0,0,1,0,0|2,0,0]=4 7258 B14R1.6343 NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000187820 [1,0,0,1,0,0|2,0,0]=4 7259 B14R1.6343 O=C(O)CNCCN1CCCCCC1 269956a_100016091260_100000722644 [1,0,0,1,0,0|2,0,0]=4 7260 B14R1.6343 O=C(O)CONCC1CCCCCC1 269956a_100000106656_200000696569 [1,0,0,1,0,0|2,0,0]=4 7261 B14R1.6343 O=C([O-])CNCCC1CCCCCC1 34a_100011532351_100020667443 [1,0,0,1,0,0|1,0,1]=4 7262 B14R1.6388 NC(=O)CCCCCNCCC1CC1 34a_100000764129_100009817443 [1,0,0,1,0,0|2,0,0]=4 7263 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000123541_100000694398 [1,0,0,1,0,0|2,0,0]=4 7264 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000754188_100009817443 [1,0,0,1,0,0|2,0,0]=4 7265 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000123541_100000764125 [1,0,0,1,0,0|2,0,0]=4 7266 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000754188_100009817443 [1,0,0,1,0,0|2,0,0]=4 7267 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100000764125_100009817443 [1,0,0,1,0,0|2,0,0]=4 7268 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100009817443_100000764125 [1,0,0,1,0,0|2,0,0]=4 7269 B14R1.6388 O=C([O-])CCCCCOCCC1CC1 7a_100102619762_100000764125 [1,0,0,1,0,0|1,0,1]=4 7270 B14R1.40 BrCCCCCCOCC1CCCO1 7a_100011215345_100000203698 [1,0,0,1,0,0|1,0,1]=4 7271 B14R1.40 O=CCCCCCNCC1CCCC1 2230a_100000737975_100000139337 [1,0,0,1,0,0|2,0,0]=4 7272 B14R1.40 O=CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139337 [1,0,0,1,0,0|2,0,0]=4 7273 B14R1.40 O=CCCCCCOCC1CCCC1 7a_100000742336_100000139337 [1,0,0,1,0,0|2,0,0]=4 7274 B14R1.40 O=CCCCCCOCC1CCCO1 7a_100000210270_100000139337 [1,0,0,1,0,0|2,0,0]=4 7275 B14R1.40 O=CCCCCCSCC1CCCC1 62a_100000139337_100000740388 [1,0,0,1,0,0|2,0,0]=4 7276 B14R1.40 O=CCCCCCSCC1CCCC1 62a_100000740388_100000139337 [1,0,0,1,0,0|2,0,0]=4 7277 B14R1.40 O=CCCCCCSCC1CCCO1 62a_100000139337_100000203698 [1,0,0,1,0,0|2,0,0]=4 7278 B14R1.40 O=CCCCCCSCC1CCCO1 62a_100000203698_100000139337 [1,0,0,1,0,0|2,0,0]=4 7279 B14R1.40 O=CCCCCNCCC1CCCC1 2230a_100000739158_100000139335 [1,0,0,1,0,0|2,0,0]=4 7280 B14R1.40 O=CCCCCOCCC1CCCC1 7a_100000749090_100000139335 [1,0,0,1,0,0|2,0,0]=4 7281 B14R1.40 O=CCCCCSCCC1CCCC1 62a_100000139335_100000760354 [1,0,0,1,0,0|2,0,0]=4 7282 B14R1.40 O=CCCCCSCCC1CCCC1 62a_100000760354_100000139335 [1,0,0,1,0,0|2,0,0]=4 7283 B14R1.40 O=CCCCNCCCC1CCCC1 2230a_100000736752_200011292268 [1,0,0,1,0,0|2,0,0]=4 7284 B14R1.40 O=CCCCOCCCC1CCCC1 7a_100011215328_200011292268 [1,0,0,1,0,0|2,0,0]=4 7285 B14R1.40 O=CCCCSCCCC1CCCC1 62a_100011713738_200011292268 [1,0,0,1,0,0|2,0,0]=4 7286 B14R1.40 O=CCCCSCCCC1CCCC1 62a_200011292268_100011713738 [1,0,0,1,0,0|2,0,0]=4 7287 B14R1.62 CCC1CCCN1CCCCCC=O 2230a_100000754278_100000139337 [1,0,0,1,0,0|2,0,0]=4 7288 B14R1.62 CCC1CCCN1CCCCCC=O 269982a_100000754278_100000139337 [1,0,0,1,0,0|2,0,0]=4 7289 B14R1.62 O=CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139337 [1,0,0,1,0,0|2,0,0]=4 7290 B14R1.62 O=CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139337 [1,0,0,1,0,0|2,0,0]=4 7291 B14R1.123 BrCCCCCCOC1C=CCCC1 7a_100011215345_100000751183 [1,0,0,1,0,0|2,0,0]=4 7292 B14R1.123 BrCCCCCOCC1CCCCO1 34a_100000746331_100000211543 [1,0,0,1,0,0|1,0,1]=4 7293 B14R1.123 BrCCCCCOCC1CCCCO1 7a_100000746331_100000211543 [1,0,0,1,0,0|1,0,1]=4 7294 B14R1.123 O=CCCCCCNC1CCCCC1 2230a_100000182618_100000139337 [1,0,0,1,0,0|2,0,0]=4 7295 B14R1.123 O=CCCCCCOC1CCCCC1 7a_100000210231_100000139337 [1,0,0,1,0,0|2,0,0]=4 7296 B14R1.123 O=CCCCCCSC1CCCCC1 62a_100000139337_100000210327 [1,0,0,1,0,0|2,0,0]=4 7297 B14R1.123 O=CCCCCCSC1CCCCC1 62a_100000210327_100000139337 [1,0,0,1,0,0|2,0,0]=4 7298 B14R1.123 O=CCCCCNCC1CCCCC1 2230a_100000210473_100000139335 [1,0,0,1,0,0|2,0,0]=4 7299 B14R1.123 O=CCCCCNCC1CCCCO1 2230a_100000174945_100000139335 [1,0,0,1,0,0|2,0,0]=4 7300 B14R1.123 O=CCCCCOCC1CCCCC1 7a_100000212181_100000139335 [1,0,0,1,0,0|2,0,0]=4 7301 B14R1.123 O=CCCCCOCC1CCCCO1 7a_100000211370_100000139335 [1,0,0,1,0,0|2,0,0]=4 7302 B14R1.123 O=CCCCCSCC1CCCCC1 62a_100000139335_100000211423 [1,0,0,1,0,0|2,0,0]=4 7303 B14R1.123 O=CCCCCSCC1CCCCC1 62a_100000211423_100000139335 [1,0,0,1,0,0|2,0,0]=4 7304 B14R1.123 O=CCCCCSCC1CCCCO1 62a_100000139335_100000211543 [1,0,0,1,0,0|2,0,0]=4 7305 B14R1.123 O=CCCCCSCC1CCCCO1 62a_100000211543_100000139335 [1,0,0,1,0,0|2,0,0]=4 7306 B14R1.123 O=CCCCNCCC1CCCCC1 2230a_100000738074_200011292268 [1,0,0,1,0,0|2,0,0]=4 7307 B14R1.123 O=CCCCNCCC1CCCCO1 2230a_100015183643_200011292268 [1,0,0,1,0,0|2,0,0]=4 7308 B14R1.123 O=CCCCOCCC1CCCCC1 7a_100011217863_200011292268 [1,0,0,1,0,0|2,0,0]=4 7309 B14R1.123 O=CCCCSCCC1CCCCC1 62a_100012355289_200011292268 [1,0,0,1,0,0|2,0,0]=4 7310 B14R1.123 O=CCCCSCCC1CCCCC1 62a_200011292268_100012355289 [1,0,0,1,0,0|2,0,0]=4 7311 B14R1.123 O=CCOCCCCC1CCCCC1 34a_100011215267_200009817547 [1,0,0,1,0,0|2,0,0]=4 7312 B14R1.123 O=CCOCCCCC1CCCCC1 7a_100011215267_200015260668 [1,0,0,1,0,0|2,0,0]=4 7313 B14R1.138 CCCCCOC1CCCCCC1=O 7a_100000210253_100000243696 [1,0,0,1,0,0|2,0,0]=4 7314 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000210326_100000243696 [1,0,0,1,0,0|2,0,0]=4 7315 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000243696_100000210326 [1,0,0,1,0,0|2,0,0]=4 7316 B14R1.138 O=C1CCCCCC1OCCCCCl 7a_100000210776_100000243696 [1,0,0,1,0,0|1,1,0]=4 7317 B14R1.138 O=C1CCCCCC1OCCCCF 7a_100011995726_100000243696 [1,0,0,1,0,0|1,1,0]=4 7318 B14R1.138 O=C1CCCCCC1SCCCCF 62a_100000243696_100000729493 [1,0,0,1,0,0|1,1,0]=4 7319 B14R1.138 O=C1CCCCCC1SCCCCF 62a_100000729493_100000243696 [1,0,0,1,0,0|1,1,0]=4 7320 B14R1.138 O=C1CCCCCC1SCCCCO 62a_100000210776_100000243696 [1,0,0,1,0,0|2,0,0]=4 7321 B14R1.138 O=C1CCCCCC1SCCCCO 62a_100000243696_100000210776 [1,0,0,1,0,0|2,0,0]=4 7322 B14R1.216 CC1CCCC1OCCCCCC=O 7a_100011216460_100000139337 [1,0,0,1,0,0|2,0,0]=4 7323 B14R1.216 CCCCCCCNC1CCCC1=O 2230a_100000229938_100000211823 [1,0,0,1,0,0|2,0,0]=4 7324 B14R1.216 CCCCCCCOC1CCCC1=O 34a_100000210272_100000709159 [1,0,0,1,0,0|2,0,0]=4 7325 B14R1.216 CCCCCCCOC1CCCC1=O 34a_200000719330_100000210614 [1,0,0,1,0,0|2,0,0]=4 7326 B14R1.216 CCCCCCCOC1CCCC1=O 7a_100000210272_100000211823 [1,0,0,1,0,0|2,0,0]=4 7327 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000210614_100000211823 [1,0,0,1,0,0|2,0,0]=4 7328 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000211823_100000210316 [1,0,0,1,0,0|2,0,0]=4 7329 B14R1.216 NCCCCCCOC1CCCC1=O 34a_100000686447_100000709159 [1,0,0,1,0,0|2,0,0]=4 7330 B14R1.216 O=C1CCCC1NCCCCCCO 2230a_100000686447_100000211823 [1,0,0,1,0,0|2,0,0]=4 7331 B14R1.216 O=C1CCCC1NCCCCCCO 34a_100000686447_100000709159 [1,0,0,1,0,0|2,0,0]=4 7332 B14R1.216 O=C1CCCC1OCCCCCCBr 34a_100011215345_100000709159 [1,0,0,1,0,0|1,0,0]=3 7333 B14R1.216 O=C1CCCC1OCCCCCCBr 7a_100011215345_100000211823 [1,0,0,1,0,0|1,0,0]=3 7334 B14R1.216 O=C1CCCC1OCCCCCCCl 34a_100000766143_100000709159 [1,0,0,1,0,0|1,1,0]=4 7335 B14R1.216 O=C1CCCC1OCCCCCCCl 7a_100000766143_100000211823 [1,0,0,1,0,0|1,1,0]=4 7336 B14R1.216 O=C1CCCC1OCCCCCCF 34a_100000732779_100000709159 [1,0,0,1,0,0|1,1,0]=4 7337 B14R1.216 O=C1CCCC1OCCCCCCF 34a_200000719330_100015922095 [1,0,0,1,0,0|1,1,0]=4 7338 B14R1.216 O=C1CCCC1OCCCCCCF 7a_100000732779_100000211823 [1,0,0,1,0,0|1,1,0]=4 7339 B14R1.216 O=C1CCCC1OCCCCCCO 34a_200000719330_100000766143 [1,0,0,1,0,0|2,0,0]=4 7340 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100000211823_100015922095 [1,0,0,1,0,0|1,1,0]=4 7341 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100015922095_100000211823 [1,0,0,1,0,0|1,1,0]=4 7342 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000211823_100000766143 [1,0,0,1,0,0|2,0,0]=4 7343 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000766143_100000211823 [1,0,0,1,0,0|2,0,0]=4 7344 B14R1.216 O=C1CCCN1CCOCCCCBr 34a_100011216708_100000739059 [1,0,0,1,0,0|2,0,0]=4 7345 B14R1.216 O=C1OCCC1OCCCCCCBr 34a_100011215345_100000211211 [1,0,0,1,0,0|2,0,0]=4 7346 B14R1.216 O=C1OCCC1OCCCCCCBr 7a_100011215345_100000211211 [1,0,0,1,0,0|2,0,0]=4 7347 B14R1.216 O=CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000139337_200016002552 [1,0,0,1,0,0|2,0,0]=4 7348 B14R1.216 O=CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139337 [1,0,0,1,0,0|2,0,0]=4 7349 B14R1.229 CCCCCCCCNC1CCC1=O 34a_100000229939_100009892977 [1,0,0,1,0,0|2,0,0]=4 7350 B14R1.229 CCCCCCCCOC1CCC1=O 34a_100000210232_100009892977 [1,0,0,1,0,0|2,0,0]=4 7351 B14R1.229 CCCCCCCCOC1CCC1=O 7a_100000210232_100009892977 [1,0,0,1,0,0|2,0,0]=4 7352 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100000210759_100009892977 [1,0,0,1,0,0|2,0,0]=4 7353 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100009892977_100000210317 [1,0,0,1,0,0|2,0,0]=4 7354 B14R1.229 CCCCCCNCCC1CCC1=O 2230a_100000210581_200016118888 [1,0,0,1,0,0|2,0,0]=4 7355 B14R1.229 CCCCCCOCCC1CCC1=O 7a_100000210259_200016118888 [1,0,0,1,0,0|2,0,0]=4 7356 B14R1.229 CCCCCCSCCC1CCC1=O 62a_100000210314_200016118888 [1,0,0,1,0,0|2,0,0]=4 7357 B14R1.229 CCCCCCSCCC1CCC1=O 62a_200016118888_100000210757 [1,0,0,1,0,0|2,0,0]=4 7358 B14R1.229 NCCCCCCCOC1CCC1=O 34a_100011996573_100009892977 [1,0,0,1,0,0|2,0,0]=4 7359 B14R1.229 O=C1CCC1CCNCCCCCO 2230a_100000762737_200016118888 [1,0,0,1,0,0|2,0,0]=4 7360 B14R1.229 O=C1CCC1CCOCCCCCBr 7a_100000746331_200016118888 [1,0,0,1,0,0|1,0,0]=3 7361 B14R1.229 O=C1CCC1CCOCCCCCCl 7a_100000746330_200016118888 [1,0,0,1,0,0|1,1,0]=4 7362 B14R1.229 O=C1CCC1CCOCCCCCI 7a_200012148887_200016118888 [1,0,0,1,0,0|1,1,0]=4 7363 B14R1.229 O=C1CCC1CCOCCOCCBr 7a_100000692535_200016118888 [1,0,0,1,0,0|2,0,0]=4 7364 B14R1.229 O=C1CCC1CCSCCCCCF 62a_100000729378_200016118888 [1,0,0,1,0,0|1,1,0]=4 7365 B14R1.229 O=C1CCC1CCSCCCCCF 62a_200016118888_100000729378 [1,0,0,1,0,0|1,1,0]=4 7366 B14R1.229 O=C1CCC1CCSCCCCCO 62a_100000746330_200016118888 [1,0,0,1,0,0|2,0,0]=4 7367 B14R1.229 O=C1CCC1CCSCCCCCO 62a_200016118888_100000746330 [1,0,0,1,0,0|2,0,0]=4 7368 B14R1.229 O=C1CCC1NCCCCCCCO 34a_100011996573_100009892977 [1,0,0,1,0,0|2,0,0]=4 7369 B14R1.229 O=C1CCC1OCCCCCCCBr 34a_100000760002_100009892977 [1,0,0,1,0,0|1,0,0]=3 7370 B14R1.229 O=C1CCC1OCCCCCCCBr 7a_100000760002_100009892977 [1,0,0,1,0,0|1,0,0]=3 7371 B14R1.229 O=C1CCC1SCCCCCCCO 62a_100000760002_100009892977 [1,0,0,1,0,0|2,0,0]=4 7372 B14R1.229 O=C1CCC1SCCCCCCCO 62a_100009892977_100000760002 [1,0,0,1,0,0|2,0,0]=4 7373 B14R1.476 CCC1CCCCC1OCCCC=O 7a_100000210738_200011292268 [1,0,0,1,0,0|2,0,0]=4 7374 B14R1.476 CCC1CCCCN1CCCCC=O 2230a_100000210034_100000139335 [1,0,0,1,0,0|2,0,0]=4 7375 B14R1.476 CCC1CCCCN1CCCCC=O 269982a_100000210034_100000139335 [1,0,0,1,0,0|2,0,0]=4 7376 B14R1.476 O=CCCCCN1CCCCC1CO 2230a_100000210821_100000139335 [1,0,0,1,0,0|2,0,0]=4 7377 B14R1.476 O=CCCCCN1CCCCC1CO 269982a_100000210821_100000139335 [1,0,0,1,0,0|2,0,0]=4 7378 B14R1.882 CC1CCCCC1NCCCCC=O 2230a_100000211402_100000139335 [1,0,0,1,0,0|2,0,0]=4 7379 B14R1.882 CC1CCCCC1OCCCCC=O 7a_100000211207_100000139335 [1,0,0,1,0,0|2,0,0]=4 7380 B14R1.882 CC1CCCCN1CCCCCC=O 2230a_100000211376_100000139337 [1,0,0,1,0,0|2,0,0]=4 7381 B14R1.882 CC1CCCCN1CCCCCC=O 269982a_100000211376_100000139337 [1,0,0,1,0,0|2,0,0]=4 7382 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100000210259_100000754470 [1,0,0,1,0,0|2,0,0]=4 7383 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100011214950_100000210314 [1,0,0,1,0,0|2,0,0]=4 7384 B14R1.882 CCCCCCOC1CCCCC1=O 7a_100000210259_100000204591 [1,0,0,1,0,0|2,0,0]=4 7385 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000204591_100000210757 [1,0,0,1,0,0|2,0,0]=4 7386 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000210314_100000204591 [1,0,0,1,0,0|2,0,0]=4 7387 B14R1.882 CCCCCOCC1CCCCC1=O 34a_100009861125_100000718602 [1,0,0,1,0,0|2,0,0]=4 7388 B14R1.882 CCCCCOCC1CCCCC1=O 7a_100009861125_100000210326 [1,0,0,1,0,0|2,0,0]=4 7389 B14R1.882 NCCCCCOC1CCCCC1=O 34a_100000762737_100000754470 [1,0,0,1,0,0|2,0,0]=4 7390 B14R1.882 O=C1CCCCC1COCCCCF 34a_100009861125_100000729493 [1,0,0,1,0,0|1,1,0]=4 7391 B14R1.882 O=C1CCCCC1COCCCCF 7a_100009861125_100000729493 [1,0,0,1,0,0|1,1,0]=4 7392 B14R1.882 O=C1CCCCC1COCCCCO 34a_100009861125_100011216708 [1,0,0,1,0,0|2,0,0]=4 7393 B14R1.882 O=C1CCCCC1COCCCCO 7a_100009861125_100000210776 [1,0,0,1,0,0|2,0,0]=4 7394 B14R1.882 O=C1CCCCC1NCCCCCO 34a_100000762737_100000754470 [1,0,0,1,0,0|2,0,0]=4 7395 B14R1.882 O=C1CCCCC1OCCCCCBr 34a_100000746331_100000754470 [1,0,0,1,0,0|1,0,0]=3 7396 B14R1.882 O=C1CCCCC1OCCCCCBr 7a_100000746331_100000204591 [1,0,0,1,0,0|1,0,0]=3 7397 B14R1.882 O=C1CCCCC1OCCCCCCl 34a_100000746330_100000754470 [1,0,0,1,0,0|1,1,0]=4 7398 B14R1.882 O=C1CCCCC1OCCCCCCl 7a_100000746330_100000204591 [1,0,0,1,0,0|1,1,0]=4 7399 B14R1.882 O=C1CCCCC1OCCCCCF 34a_100011214950_100000729378 [1,0,0,1,0,0|1,1,0]=4 7400 B14R1.882 O=C1CCCCC1OCCCCCI 34a_200012148887_100000754470 [1,0,0,1,0,0|1,1,0]=4 7401 B14R1.882 O=C1CCCCC1OCCCCCI 7a_200012148887_100000204591 [1,0,0,1,0,0|1,1,0]=4 7402 B14R1.882 O=C1CCCCC1OCCCCCO 34a_100011214950_100000746330 [1,0,0,1,0,0|2,0,0]=4 7403 B14R1.882 O=C1CCCCC1OCCOCCBr 34a_100000692535_100000754470 [1,0,0,1,0,0|2,0,0]=4 7404 B14R1.882 O=C1CCCCC1OCCOCCBr 7a_100000692535_100000204591 [1,0,0,1,0,0|2,0,0]=4 7405 B14R1.882 O=C1CCCCC1SCCCCCF 62a_100000204591_100000729378 [1,0,0,1,0,0|1,1,0]=4 7406 B14R1.882 O=C1CCCCC1SCCCCCF 62a_100000729378_100000204591 [1,0,0,1,0,0|1,1,0]=4 7407 B14R1.882 O=C1CCCCC1SCCCCCO 62a_100000204591_100000746330 [1,0,0,1,0,0|2,0,0]=4 7408 B14R1.882 O=C1CCCCC1SCCCCCO 62a_100000746330_100000204591 [1,0,0,1,0,0|2,0,0]=4 7409 B14R1.882 O=C1CCOCC1OCCCCCBr 34a_100000746331_100012180262 [1,0,0,1,0,0|2,0,0]=4 7410 B14R1.882 O=C1CCOCC1OCCCCCBr 7a_100000746331_100012180262 [1,0,0,1,0,0|2,0,0]=4 7411 B14R1.882 O=C1NCCCC1OCCCCCBr 34a_100000746331_100000687798 [1,0,0,1,0,0|2,0,0]=4 7412 B14R1.882 O=C1NCCCC1OCCCCCBr 7a_100000746331_100000687798 [1,0,0,1,0,0|2,0,0]=4 7413 B14R1.882 O=CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000139335 [1,0,0,1,0,0|1,1,0]=4 7414 B14R1.882 O=CCCCCOC1CCCCC1Cl 7a_100000038908_100000139335 [1,0,0,1,0,0|1,1,0]=4 7415 B14R1.882 O=CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000139335 [1,0,0,1,0,0|1,1,0]=4 7416 B14R1.882 O=CCCCCSC1CCCCC1F 62a_100000139335_100015423560 [1,0,0,1,0,0|1,1,0]=4 7417 B14R1.882 O=CCCCCSC1CCCCC1F 62a_100015423560_100000139335 [1,0,0,1,0,0|1,1,0]=4 7418 B14R1.882 O=CCCCCSC1CCCCC1O 62a_100000038908_100000139335 [1,0,0,1,0,0|2,0,0]=4 7419 B14R1.882 O=CCCCCSC1CCCCC1O 62a_100000139335_100000038908 [1,0,0,1,0,0|2,0,0]=4 7420 B14R1.882 OC1CCCCC1OCCCCCBr 34a_100000746331_100000038908 [1,0,0,1,0,0|1,0,1]=4 7421 B14R1.891 BrCCCCCCCOCC1CCO1 34a_100000760002_100000103362 [1,0,0,1,0,0|1,0,1]=4 7422 B14R1.891 BrCCCCCCCOCC1CCO1 7a_100000760002_100000103362 [1,0,0,1,0,0|1,0,1]=4 7423 B14R1.904 CCCC1CCCCN1CCCC=O 2230a_100000701414_200011292268 [1,0,0,1,0,0|2,0,0]=4 7424 B14R1.904 CCCC1CCCCN1CCCC=O 269982a_100000701414_200011292268 [1,0,0,1,0,0|2,0,0]=4 7425 B14R1.904 O=CCCCN1CCCCC1CCO 2230a_100000211664_200011292268 [1,0,0,1,0,0|2,0,0]=4 7426 B14R1.904 O=CCCCN1CCCCC1CCO 269982a_100000211664_200011292268 [1,0,0,1,0,0|2,0,0]=4 7427 B14R1.1254 O=CCCCCN1CCCCCCC1 2230a_100000211400_100000139335 [1,0,0,1,0,0|2,0,0]=4 7428 B14R1.1254 O=CCCCCN1CCCCCCC1 269982a_100000211400_100000139335 [1,0,0,1,0,0|2,0,0]=4 7429 B14R1.1254 O=CCCCNC1CCCCCCC1 2230a_100000211152_200011292268 [1,0,0,1,0,0|2,0,0]=4 7430 B14R1.1254 O=CCCCOC1CCCCCCC1 7a_100000210054_200011292268 [1,0,0,1,0,0|2,0,0]=4 7431 B14R1.1254 O=CCNCCC1CCCCCCC1 2230a_100011532352_200015260668 [1,0,0,1,0,0|2,0,0]=4 7432 B14R1.1254 O=CCNCCC1CCCCCCC1 34a_100011532352_200009817547 [1,0,0,1,0,0|2,0,0]=4 7433 B14R1.2352 O=CCCCCCN1CCCCCC1 2230a_100000185865_100000139337 [1,0,0,1,0,0|2,0,0]=4 7434 B14R1.2352 O=CCCCCCN1CCCCCC1 269982a_100000185865_100000139337 [1,0,0,1,0,0|2,0,0]=4 7435 B14R1.2352 O=CCCCCNC1CCCCCC1 2230a_100000210984_100000139335 [1,0,0,1,0,0|2,0,0]=4 7436 B14R1.2352 O=CCCCCOC1CCCCCC1 7a_100000210887_100000139335 [1,0,0,1,0,0|2,0,0]=4 7437 B14R1.2352 O=CCCCCSC1CCCCCC1 62a_100000139335_100011217769 [1,0,0,1,0,0|2,0,0]=4 7438 B14R1.2352 O=CCCCCSC1CCCCCC1 62a_100011217769_100000139335 [1,0,0,1,0,0|2,0,0]=4 7439 B14R1.2352 O=CCCCNCC1CCCCCC1 2230a_100015204231_200011292268 [1,0,0,1,0,0|2,0,0]=4 7440 B14R1.2352 O=CCCCOCC1CCCCCC1 7a_100000699130_200011292268 [1,0,0,1,0,0|2,0,0]=4 7441 B14R1.2352 O=CCCCSCC1CCCCCC1 62a_200000696569_200011292268 [1,0,0,1,0,0|2,0,0]=4 7442 B14R1.2352 O=CCCCSCC1CCCCCC1 62a_200011292268_200000696569 [1,0,0,1,0,0|2,0,0]=4 7443 B14R1.6533 O=CCCCN1CCCCCCCC1 2230a_100000039187_200011292268 [1,0,0,1,0,0|2,0,0]=4 7444 B14R1.6533 O=CCCCN1CCCCCCCC1 269982a_100000039187_200011292268 [1,0,0,1,0,0|2,0,0]=4 7445 B16R1.262 CCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210757 [0,1,0,1,0,0|2,0,0]=4 7446 B16R1.262 O=C(O)CC1CCCN(C1)CCCCCF 269956a_100015207179_100000729378 [0,1,0,1,0,0|1,1,0]=4 7447 B16R1.262 O=C(O)CC1CCCN(C1)CCCCCO 269956a_100015207179_100000746330 [0,1,0,1,0,0|2,0,0]=4 7448 B16R1.642 CCCCCCCCCNC1COC(=O)O1 34a_100000212291_100000032252 [0,1,0,1,0,0|2,0,0]=4 7449 B16R1.642 CCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011214924 [0,1,0,1,0,0|2,0,0]=4 7450 B16R1.642 CCCCCCCCCOC1COC(=O)O1 34a_100000210712_100000032252 [0,1,0,1,0,0|2,0,0]=4 7451 B16R1.642 CCCCCCCCNCC1CNC(=O)O1 2230a_100000229939_100000181169 [0,1,0,1,0,0|2,0,0]=4 7452 B16R1.642 CCCCCCCCNCC1CNC(=O)O1 34a_100000229939_100000181169 [0,1,0,1,0,0|2,0,0]=4 7453 B16R1.642 CCCCCCCCNCC1COC(=O)O1 34a_100000229939_100000073702 [0,1,0,1,0,0|2,0,0]=4 7454 B16R1.642 CCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229939_100015189358 [0,1,0,1,0,0|2,0,0]=4 7455 B16R1.642 CCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210759 [0,1,0,1,0,0|2,0,0]=4 7456 B16R1.642 CCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210759 [0,1,0,1,0,0|2,0,0]=4 7457 B16R1.642 CCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210759 [0,1,0,1,0,0|2,0,0]=4 7458 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 34a_100000210232_100000181169 [0,1,0,1,0,0|2,0,0]=4 7459 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210759 [0,1,0,1,0,0|2,0,0]=4 7460 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 7a_100000210232_100000181169 [0,1,0,1,0,0|2,0,0]=4 7461 B16R1.642 CCCCCCCCOCC1COC(=O)O1 34a_100000210232_100000073702 [0,1,0,1,0,0|2,0,0]=4 7462 B16R1.642 CCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210232_100015189358 [0,1,0,1,0,0|2,0,0]=4 7463 B16R1.642 CCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210317 [0,1,0,1,0,0|2,0,0]=4 7464 B16R1.642 CCCCCCCCSCC1CNC(=O)O1 62a_100000210759_100000181169 [0,1,0,1,0,0|2,0,0]=4 7465 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210317 [0,1,0,1,0,0|2,0,0]=4 7466 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000210759_100000073702 [0,1,0,1,0,0|2,0,0]=4 7467 B16R1.642 CCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210759_100015189358 [0,1,0,1,0,0|2,0,0]=4 7468 B16R1.642 CCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210317 [0,1,0,1,0,0|2,0,0]=4 7469 B16R1.642 NCCCCCCCCOC1COC(=O)O1 34a_102515433106_100000032252 [0,1,0,1,0,0|2,0,0]=4 7470 B16R1.642 NCCCCCCCOCC1CNC(=O)O1 34a_100011996573_100000181169 [0,1,0,1,0,0|2,0,0]=4 7471 B16R1.642 NCCCCCCCOCC1COC(=O)O1 34a_100011996573_100000073702 [0,1,0,1,0,0|2,0,0]=4 7472 B16R1.642 O=C1CCC(C1)OCCCCCCCCO 34a_100012614533_100000033203 [0,1,0,1,0,0|2,0,0]=4 7473 B16R1.642 O=C1CCC(N1)COCCCCCCCO 34a_100000737831_100000760002 [0,1,0,1,0,0|2,0,0]=4 7474 B16R1.642 O=C1CC[C@@H](N1)CNCCCCCCCO 2230a_100015423886_100000760002 [0,1,0,1,0,0|2,0,0]=4 7475 B16R1.642 O=C1CC[C@@H](N1)CNCCCCCCCO 34a_100015423886_100000760002 [0,1,0,1,0,0|2,0,0]=4 7476 B16R1.642 O=C1CC[C@H](N1)CNCCCCCCCO 2230a_100011996573_100015189358 [0,1,0,1,0,0|2,0,0]=4 7477 B16R1.642 O=C1CC[C@H](N1)COCCCCCCCBr 7a_100000760002_100015189358 [0,1,0,1,0,0|1,0,0]=3 7478 B16R1.642 O=C1CC[C@H](N1)CSCCCCCCCO 62a_100000760002_100015189358 [0,1,0,1,0,0|2,0,0]=4 7479 B16R1.642 O=C1CC[C@H](N1)CSCCCCCCCO 62a_100015189358_100000760002 [0,1,0,1,0,0|2,0,0]=4 7480 B16R1.642 O=C1NCC(O1)CNCCCCCCCO 2230a_100011996573_100000181169 [0,1,0,1,0,0|2,0,0]=4 7481 B16R1.642 O=C1NCC(O1)CNCCCCCCCO 34a_100011996573_100000181169 [0,1,0,1,0,0|2,0,0]=4 7482 B16R1.642 O=C1NCC(O1)COCCCCCCCBr 34a_100000760002_100000181169 [0,1,0,1,0,0|1,0,0]=3 7483 B16R1.642 O=C1NCC(O1)COCCCCCCCBr 7a_100000760002_100000181169 [0,1,0,1,0,0|1,0,0]=3 7484 B16R1.642 O=C1NCC(O1)COCCCCCCCO 34a_100011315639_100000760002 [0,1,0,1,0,0|2,0,0]=4 7485 B16R1.642 O=C1NCC(O1)CSCCCCCCCO 62a_100000181169_100000760002 [0,1,0,1,0,0|2,0,0]=4 7486 B16R1.642 O=C1NCC(O1)CSCCCCCCCO 62a_100000760002_100000181169 [0,1,0,1,0,0|2,0,0]=4 7487 B16R1.642 O=C1N[C@H](CO1)COCCCCCCCBr 34a_100000760002_100015307671 [0,1,0,1,0,0|2,0,0]=4 7488 B16R1.642 O=C1N[C@H](CO1)COCCCCCCCBr 7a_100000760002_100015307671 [0,1,0,1,0,0|2,0,0]=4 7489 B16R1.642 O=C1OCC(O1)CNCCCCCCCO 34a_100011996573_100000073702 [0,1,0,1,0,0|2,0,0]=4 7490 B16R1.642 O=C1OCC(O1)COCCCCCCCBr 34a_100000760002_100000073702 [0,1,0,1,0,0|1,0,0]=3 7491 B16R1.642 O=C1OCC(O1)CSCCCCCCCO 62a_100000073702_100000760002 [0,1,0,1,0,0|2,0,0]=4 7492 B16R1.642 O=C1OCC(O1)CSCCCCCCCO 62a_100000760002_100000073702 [0,1,0,1,0,0|2,0,0]=4 7493 B16R1.642 O=C1OCC(O1)NCCCCCCCCO 34a_102515433106_100000032252 [0,1,0,1,0,0|2,0,0]=4 7494 B16R1.642 O=C1OCC(O1)OCCCCCCCCBr 34a_100009813846_100000032252 [0,1,0,1,0,0|1,0,0]=3 7495 B16R1.642 O=C1OCC(O1)OCCCCCCCCCl 34a_100000033203_100000032252 [0,1,0,1,0,0|1,1,0]=4 7496 B16R1.642 O=C1OCC(O1)SCCCCCCCCO 62a_100000033203_100000032252 [0,1,0,1,0,0|2,0,0]=4 7497 B16R1.642 O=S1OCC(O1)CCOCCCCCCBr 7a_100011215345_100009840081 [0,1,0,1,0,0|2,0,0]=4 7498 B16R1.5019 CCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210614 [0,1,0,1,0,0|2,0,0]=4 7499 B16R1.5019 O=C(O)CC1CCN(C1)CCCCCCF 269956a_100000719201_100015922095 [0,1,0,1,0,0|1,1,0]=4 7500 B16R1.5019 O=C(O)CC1CCN(C1)CCCCCCO 269956a_100000719201_100000766143 [0,1,0,1,0,0|2,0,0]=4 7501 B16R1.6929 O=C(O)CC(O)CNCCC1CCCCC1 269956a_100011218706_100011273959 [0,1,0,1,0,0|2,0,0]=4 7502 B16R1.6935 O=C(O)CC(O)CNCCCC1CCCC1 269956a_100011218706_100011713738 [0,1,0,1,0,0|2,0,0]=4 7503 B16R1.8383 CCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210759 [0,1,0,1,0,0|2,0,0]=4 7504 B16R1.8383 O=C(O)CC1CN(C1)CCCCCCCO 269956a_100016993960_100000760002 [0,1,0,1,0,0|2,0,0]=4 7505 B16R1.10873 CC(=O)C1CCCCCCCCCCC1=O 1458a_100000070787_200009990614 [0,1,0,1,0,0|2,0,0]=4 7506 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100015343762 [0,1,0,1,0,0|2,0,0]=4 7507 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100015343762 [0,1,0,1,0,0|2,0,0]=4 7508 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100015343762 [0,1,0,1,0,0|2,0,0]=4 7509 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100103153847 [0,1,0,1,0,0|2,0,0]=4 7510 B16R1.58444 O=C(O)CC(O)CNCC1CCCCCC1 269956a_100011218706_200000696569 [0,1,0,1,0,0|2,0,0]=4 7511 B16R1.273 CCCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210314 [0,1,0,1,0,0|2,0,0]=4 7512 B16R1.273 CCCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210757 [0,1,0,1,0,0|2,0,0]=4 7513 B16R1.273 CCCCCCN1CCCCC1C(=O)OC 34a_100000734855_100000210314 [0,1,0,1,0,0|2,0,0]=4 7514 B16R1.273 CCCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000718602 [0,1,0,1,0,0|2,0,0]=4 7515 B16R1.273 CCCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210326 [0,1,0,1,0,0|2,0,0]=4 7516 B16R1.273 COC(=O)C1CCCCN1CCCCCF 2230a_100000734855_100000729378 [0,1,0,1,0,0|1,1,0]=4 7517 B16R1.273 COC(=O)C1CCCCN1CCCCCF 269982a_100000734855_100000729378 [0,1,0,1,0,0|1,1,0]=4 7518 B16R1.273 COC(=O)C1CCCCN1CCCCCF 34a_100000734855_100000729378 [0,1,0,1,0,0|1,1,0]=4 7519 B16R1.273 COC(=O)C1CCCCN1CCCCCO 2230a_100000734855_100000746330 [0,1,0,1,0,0|2,0,0]=4 7520 B16R1.273 COC(=O)C1CCCCN1CCCCCO 269982a_100000734855_100000746330 [0,1,0,1,0,0|2,0,0]=4 7521 B16R1.273 COC(=O)C1CCCCN1CCCCCO 34a_100000734855_100000746330 [0,1,0,1,0,0|2,0,0]=4 7522 B16R1.273 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCF 34a_100015709673_100000729493 [0,1,0,1,0,0|1,1,0]=4 7523 B16R1.273 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCF 7a_100015709673_100000729493 [0,1,0,1,0,0|1,1,0]=4 7524 B16R1.273 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCO 34a_100015709673_100011216708 [0,1,0,1,0,0|2,0,0]=4 7525 B16R1.273 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCO 7a_100015709673_100000210776 [0,1,0,1,0,0|2,0,0]=4 7526 B16R1.285 CCCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210314 [0,1,0,1,0,0|2,0,0]=4 7527 B16R1.285 CCCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210757 [0,1,0,1,0,0|2,0,0]=4 7528 B16R1.285 CCCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210314 [0,1,0,1,0,0|2,0,0]=4 7529 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCF 2230a_100025726698_100000729378 [0,1,0,1,0,0|1,1,0]=4 7530 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCF 269982a_100025726698_100000729378 [0,1,0,1,0,0|1,1,0]=4 7531 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCF 34a_100025726698_100000729378 [0,1,0,1,0,0|1,1,0]=4 7532 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCO 2230a_100025726698_100000746330 [0,1,0,1,0,0|2,0,0]=4 7533 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCO 269982a_100025726698_100000746330 [0,1,0,1,0,0|2,0,0]=4 7534 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCO 34a_100025726698_100000746330 [0,1,0,1,0,0|2,0,0]=4 7535 B16R1.696 CCCC1CCCCC1OCCC(=O)OC 34a_100011217265_100000742370 [0,1,0,1,0,0|2,0,0]=4 7536 B16R1.696 CCCC1CCCCC1OCCC(=O)OC 7a_100011217265_100000204255 [0,1,0,1,0,0|2,0,0]=4 7537 B16R1.696 CCCC1CCCCN1CCCC(=O)OC 2230a_100000701414_100011218270 [0,1,0,1,0,0|2,0,0]=4 7538 B16R1.696 CCCC1CCCCN1CCCC(=O)OC 269982a_100000701414_100011218270 [0,1,0,1,0,0|2,0,0]=4 7539 B16R1.696 CCCC1CCCCN1CCCC(=O)OC 34a_100000701414_100000742333 [0,1,0,1,0,0|2,0,0]=4 7540 B16R1.696 COC(=O)CCCN1CCCCC1CCO 2230a_100000211664_100011218270 [0,1,0,1,0,0|2,0,0]=4 7541 B16R1.696 COC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100011218270 [0,1,0,1,0,0|2,0,0]=4 7542 B16R1.696 COC(=O)CCCN1CCCCC1CCO 34a_100000211664_100000742333 [0,1,0,1,0,0|2,0,0]=4 7543 B16R1.994 COC(=O)CCN1CCCCC1CCCO 2230a_100011934581_100000204255 [0,1,0,1,0,0|2,0,0]=4 7544 B16R1.994 COC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000204255 [0,1,0,1,0,0|2,0,0]=4 7545 B16R1.994 COC(=O)CCN1CCCCC1CCCO 34a_100011934581_100000742370 [0,1,0,1,0,0|2,0,0]=4 7546 B16R1.1095 COC(=O)CCCCCCCN1CCCC1 2230a_100000188435_100010004213 [0,1,0,1,0,0|2,0,0]=4 7547 B16R1.1095 COC(=O)CCCCCCCN1CCCC1 269982a_100000188435_100010004213 [0,1,0,1,0,0|2,0,0]=4 7548 B16R1.1095 COC(=O)CCCCCCNC1CCCC1 2230a_100000211070_100009815986 [0,1,0,1,0,0|2,0,0]=4 7549 B16R1.1095 COC(=O)CCCCCCNC1CCCC1 34a_100000211070_100009815986 [0,1,0,1,0,0|2,0,0]=4 7550 B16R1.1095 COC(=O)CCCCCCOC1CCCC1 34a_100000210269_100009815986 [0,1,0,1,0,0|2,0,0]=4 7551 B16R1.1095 COC(=O)CCCCCCOC1CCCC1 34a_100009863599_100000179811 [0,1,0,1,0,0|2,0,0]=4 7552 B16R1.1095 COC(=O)CCCCCCOC1CCCC1 7a_100000210269_100009815986 [0,1,0,1,0,0|2,0,0]=4 7553 B16R1.1095 COC(=O)CCCCCCOC1CCCC1 7a_100009863599_100000179811 [0,1,0,1,0,0|2,0,0]=4 7554 B16R1.1095 COC(=O)CCCCCCOC1CCCO1 34a_100000085407_100009815986 [0,1,0,1,0,0|2,0,0]=4 7555 B16R1.1095 COC(=O)CCCCCCSC1CCCC1 62a_100009815986_100000179811 [0,1,0,1,0,0|2,0,0]=4 7556 B16R1.1095 COC(=O)CCCCCCSC1CCCC1 62a_100011217020_100009815986 [0,1,0,1,0,0|2,0,0]=4 7557 B16R1.1095 COC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100009816466 [0,1,0,1,0,0|2,0,0]=4 7558 B16R1.1095 COC(=O)CCCCCNCC1CCCC1 34a_100000737975_100009816466 [0,1,0,1,0,0|2,0,0]=4 7559 B16R1.1095 COC(=O)CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009816466 [0,1,0,1,0,0|2,0,0]=4 7560 B16R1.1095 COC(=O)CCCCCNC[C@@H]1CCCO1 34a_100020590478_100009816466 [0,1,0,1,0,0|2,0,0]=4 7561 B16R1.1095 COC(=O)CCCCCOCC1CCCC1 34a_100000074720_100000740388 [0,1,0,1,0,0|2,0,0]=4 7562 B16R1.1095 COC(=O)CCCCCOCC1CCCC1 34a_100000742336_100009816466 [0,1,0,1,0,0|2,0,0]=4 7563 B16R1.1095 COC(=O)CCCCCOCC1CCCC1 7a_100000074720_100000740388 [0,1,0,1,0,0|2,0,0]=4 7564 B16R1.1095 COC(=O)CCCCCOCC1CCCC1 7a_100000742336_100009816466 [0,1,0,1,0,0|2,0,0]=4 7565 B16R1.1095 COC(=O)CCCCCOCC1CCCO1 34a_100000210270_100009816466 [0,1,0,1,0,0|2,0,0]=4 7566 B16R1.1095 COC(=O)CCCCCOCC1CCCO1 7a_100000074720_100000203698 [0,1,0,1,0,0|2,0,0]=4 7567 B16R1.1095 COC(=O)CCCCCOCC1CCCO1 7a_100000210270_100009816466 [0,1,0,1,0,0|2,0,0]=4 7568 B16R1.1095 COC(=O)CCCCCOC[C@H]1CCCN1 34a_100000745186_100009816466 [0,1,0,1,0,0|2,0,0]=4 7569 B16R1.1095 COC(=O)CCCCCSCC1CCCC1 62a_100000740388_100009816466 [0,1,0,1,0,0|2,0,0]=4 7570 B16R1.1095 COC(=O)CCCCCSCC1CCCC1 62a_100009816466_100000740388 [0,1,0,1,0,0|2,0,0]=4 7571 B16R1.1095 COC(=O)CCCCCSCC1CCCO1 62a_100000203698_100009816466 [0,1,0,1,0,0|2,0,0]=4 7572 B16R1.1095 COC(=O)CCCCCSCC1CCCO1 62a_100009816466_100000203698 [0,1,0,1,0,0|2,0,0]=4 7573 B16R1.1095 COC(=O)CCCCNCCC1CCCC1 2230a_100000739158_100000204269 [0,1,0,1,0,0|2,0,0]=4 7574 B16R1.1095 COC(=O)CCCCNCCC1CCCC1 34a_100000739158_100000204269 [0,1,0,1,0,0|2,0,0]=4 7575 B16R1.1095 COC(=O)CCCCOCCC1CCCC1 34a_100000059025_100000760354 [0,1,0,1,0,0|2,0,0]=4 7576 B16R1.1095 COC(=O)CCCCOCCC1CCCC1 34a_100000749090_100000204269 [0,1,0,1,0,0|2,0,0]=4 7577 B16R1.1095 COC(=O)CCCCOCCC1CCCC1 7a_100000059025_100000760354 [0,1,0,1,0,0|2,0,0]=4 7578 B16R1.1095 COC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000204269 [0,1,0,1,0,0|2,0,0]=4 7579 B16R1.1095 COC(=O)CCCCSCCC1CCCC1 62a_100000204269_100000760354 [0,1,0,1,0,0|2,0,0]=4 7580 B16R1.1095 COC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000204269 [0,1,0,1,0,0|2,0,0]=4 7581 B16R1.1095 COC(=O)CCCNCCCC1CCCC1 2230a_100000736752_100011218270 [0,1,0,1,0,0|2,0,0]=4 7582 B16R1.1095 COC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000742333 [0,1,0,1,0,0|2,0,0]=4 7583 B16R1.1095 COC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000742333 [0,1,0,1,0,0|2,0,0]=4 7584 B16R1.1095 COC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011218270 [0,1,0,1,0,0|2,0,0]=4 7585 B16R1.1095 COC(=O)CCCSCCCC1CCCC1 62a_100011218270_100011713738 [0,1,0,1,0,0|2,0,0]=4 7586 B16R1.1095 COC(=O)CCCSCCCC1CCCC1 62a_100011713738_100011218270 [0,1,0,1,0,0|2,0,0]=4 7587 B16R1.1133 COC(=O)CCCCCN1CCCCC1C 2230a_100000211376_100009816466 [0,1,0,1,0,0|2,0,0]=4 7588 B16R1.1133 COC(=O)CCCCCN1CCCCC1C 269982a_100000211376_100009816466 [0,1,0,1,0,0|2,0,0]=4 7589 B16R1.1133 COC(=O)CCCCCN1CCCCC1C 34a_100000211376_100009816466 [0,1,0,1,0,0|2,0,0]=4 7590 B16R1.1133 COC(=O)CCCCNC1CCCCC1C 2230a_100000211402_100000204269 [0,1,0,1,0,0|2,0,0]=4 7591 B16R1.1133 COC(=O)CCCCNC1CCCCC1C 34a_100000211402_100000204269 [0,1,0,1,0,0|2,0,0]=4 7592 B16R1.1133 COC(=O)CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000204269 [0,1,0,1,0,0|1,1,0]=4 7593 B16R1.1133 COC(=O)CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000204269 [0,1,0,1,0,0|1,1,0]=4 7594 B16R1.1133 COC(=O)CCCCOC1CCCCC1C 34a_100000211207_100000204269 [0,1,0,1,0,0|2,0,0]=4 7595 B16R1.1133 COC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000204269 [0,1,0,1,0,0|2,0,0]=4 7596 B16R1.1133 COC(=O)CCCCOC1CCCCC1Cl 34a_100000038908_100000204269 [0,1,0,1,0,0|1,1,0]=4 7597 B16R1.1133 COC(=O)CCCCOC1CCCCC1Cl 7a_100000038908_100000204269 [0,1,0,1,0,0|1,1,0]=4 7598 B16R1.1133 COC(=O)CCCCOC1CCCCC1F 34a_100000059025_100015423560 [0,1,0,1,0,0|1,1,0]=4 7599 B16R1.1133 COC(=O)CCCCOC1CCCCC1O 34a_100000059025_100000038908 [0,1,0,1,0,0|2,0,0]=4 7600 B16R1.1133 COC(=O)CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000204269 [0,1,0,1,0,0|1,1,0]=4 7601 B16R1.1133 COC(=O)CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000204269 [0,1,0,1,0,0|1,1,0]=4 7602 B16R1.1133 COC(=O)CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000204269 [0,1,0,1,0,0|2,0,0]=4 7603 B16R1.1133 COC(=O)CCCCSC1CCCCC1F 62a_100000204269_100015423560 [0,1,0,1,0,0|1,1,0]=4 7604 B16R1.1133 COC(=O)CCCCSC1CCCCC1F 62a_100015423560_100000204269 [0,1,0,1,0,0|1,1,0]=4 7605 B16R1.1133 COC(=O)CCCCSC1CCCCC1O 62a_100000038908_100000204269 [0,1,0,1,0,0|2,0,0]=4 7606 B16R1.1133 COC(=O)CCCCSC1CCCCC1O 62a_100000204269_100000038908 [0,1,0,1,0,0|2,0,0]=4 7607 B16R1.1133 COC(=O)CCCNCC1CCCCC1O 34a_100011216029_100000742333 [0,1,0,1,0,0|2,0,0]=4 7608 B16R1.1166 COC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100009816466 [0,1,0,1,0,0|2,0,0]=4 7609 B16R1.1166 COC(=O)CCCCCNC1CCCCC1 34a_100000182618_100009816466 [0,1,0,1,0,0|2,0,0]=4 7610 B16R1.1166 COC(=O)CCCCCOC1CCCCC1 34a_100000074720_100000210327 [0,1,0,1,0,0|2,0,0]=4 7611 B16R1.1166 COC(=O)CCCCCOC1CCCCC1 34a_100000210231_100009816466 [0,1,0,1,0,0|2,0,0]=4 7612 B16R1.1166 COC(=O)CCCCCOC1CCCCC1 7a_100000074720_100000210327 [0,1,0,1,0,0|2,0,0]=4 7613 B16R1.1166 COC(=O)CCCCCOC1CCCCC1 7a_100000210231_100009816466 [0,1,0,1,0,0|2,0,0]=4 7614 B16R1.1166 COC(=O)CCCCCOC1CCCCO1 34a_100000033831_100009816466 [0,1,0,1,0,0|2,0,0]=4 7615 B16R1.1166 COC(=O)CCCCCSC1CCCCC1 62a_100000210327_100009816466 [0,1,0,1,0,0|2,0,0]=4 7616 B16R1.1166 COC(=O)CCCCCSC1CCCCC1 62a_100009816466_100000210327 [0,1,0,1,0,0|2,0,0]=4 7617 B16R1.1166 COC(=O)CCCCNCC1CCCCC1 2230a_100000210473_100000204269 [0,1,0,1,0,0|2,0,0]=4 7618 B16R1.1166 COC(=O)CCCCNCC1CCCCC1 34a_100000210473_100000204269 [0,1,0,1,0,0|2,0,0]=4 7619 B16R1.1166 COC(=O)CCCCNCC1CCCCO1 2230a_100000174945_100000204269 [0,1,0,1,0,0|2,0,0]=4 7620 B16R1.1166 COC(=O)CCCCNCC1CCCCO1 34a_100000174945_100000204269 [0,1,0,1,0,0|2,0,0]=4 7621 B16R1.1166 COC(=O)CCCCOCC1CCCCC1 34a_100000059025_100000211423 [0,1,0,1,0,0|2,0,0]=4 7622 B16R1.1166 COC(=O)CCCCOCC1CCCCC1 34a_100000212181_100000204269 [0,1,0,1,0,0|2,0,0]=4 7623 B16R1.1166 COC(=O)CCCCOCC1CCCCC1 7a_100000059025_100000211423 [0,1,0,1,0,0|2,0,0]=4 7624 B16R1.1166 COC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000204269 [0,1,0,1,0,0|2,0,0]=4 7625 B16R1.1166 COC(=O)CCCCOCC1CCCCN1 34a_100000210821_100000204269 [0,1,0,1,0,0|2,0,0]=4 7626 B16R1.1166 COC(=O)CCCCOCC1CCCCO1 34a_100000059025_100000211543 [0,1,0,1,0,0|2,0,0]=4 7627 B16R1.1166 COC(=O)CCCCOCC1CCCCO1 34a_100000211370_100000204269 [0,1,0,1,0,0|2,0,0]=4 7628 B16R1.1166 COC(=O)CCCCOCC1CCCCO1 7a_100000059025_100000211543 [0,1,0,1,0,0|2,0,0]=4 7629 B16R1.1166 COC(=O)CCCCOCC1CCCCO1 7a_100000211370_100000204269 [0,1,0,1,0,0|2,0,0]=4 7630 B16R1.1166 COC(=O)CCCCSCC1CCCCC1 62a_100000204269_100000211423 [0,1,0,1,0,0|2,0,0]=4 7631 B16R1.1166 COC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000204269 [0,1,0,1,0,0|2,0,0]=4 7632 B16R1.1166 COC(=O)CCCCSCC1CCCCO1 62a_100000204269_100000211543 [0,1,0,1,0,0|2,0,0]=4 7633 B16R1.1166 COC(=O)CCCCSCC1CCCCO1 62a_100000211543_100000204269 [0,1,0,1,0,0|2,0,0]=4 7634 B16R1.1166 COC(=O)CCCNCCC1CCCCC1 2230a_100000738074_100011218270 [0,1,0,1,0,0|2,0,0]=4 7635 B16R1.1166 COC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000742333 [0,1,0,1,0,0|2,0,0]=4 7636 B16R1.1166 COC(=O)CCCNCCC1CCCCO1 2230a_100015183643_100011218270 [0,1,0,1,0,0|2,0,0]=4 7637 B16R1.1166 COC(=O)CCCNCCC1CCCCO1 34a_100015183643_100000742333 [0,1,0,1,0,0|2,0,0]=4 7638 B16R1.1166 COC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000742333 [0,1,0,1,0,0|2,0,0]=4 7639 B16R1.1166 COC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011218270 [0,1,0,1,0,0|2,0,0]=4 7640 B16R1.1166 COC(=O)CCCOCCC1CCCCN1 34a_100000211664_100000742333 [0,1,0,1,0,0|2,0,0]=4 7641 B16R1.1166 COC(=O)CCCSCCC1CCCCC1 62a_100011218270_100012355289 [0,1,0,1,0,0|2,0,0]=4 7642 B16R1.1166 COC(=O)CCCSCCC1CCCCC1 62a_100012355289_100011218270 [0,1,0,1,0,0|2,0,0]=4 7643 B16R1.1166 COC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000204255 [0,1,0,1,0,0|2,0,0]=4 7644 B16R1.1166 COC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000742370 [0,1,0,1,0,0|2,0,0]=4 7645 B16R1.1166 COC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000742370 [0,1,0,1,0,0|2,0,0]=4 7646 B16R1.1166 COC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000204255 [0,1,0,1,0,0|2,0,0]=4 7647 B16R1.1166 COC(=O)CCOCCCC1CCCCN1 34a_100011934581_100000742370 [0,1,0,1,0,0|2,0,0]=4 7648 B16R1.1166 COC(=O)CCSCCCC1CCCCC1 62a_100000204255_100011713725 [0,1,0,1,0,0|2,0,0]=4 7649 B16R1.1166 COC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000204255 [0,1,0,1,0,0|2,0,0]=4 7650 B16R1.1166 COC(=O)COCCCCC1CCCCC1 34a_100011215267_100000747449 [0,1,0,1,0,0|2,0,0]=4 7651 B16R1.1166 COC(=O)COCCCCC1CCCCC1 7a_100011215267_100000747449 [0,1,0,1,0,0|2,0,0]=4 7652 B16R1.1353 CCC1CCCN1CCCCCC(=O)OC 2230a_100000754278_100009816466 [0,1,0,1,0,0|2,0,0]=4 7653 B16R1.1353 CCC1CCCN1CCCCCC(=O)OC 269982a_100000754278_100009816466 [0,1,0,1,0,0|2,0,0]=4 7654 B16R1.1353 CCC1CCCN1CCCCCC(=O)OC 34a_100000754278_100009816466 [0,1,0,1,0,0|2,0,0]=4 7655 B16R1.1353 COC(=O)CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009816466 [0,1,0,1,0,0|2,0,0]=4 7656 B16R1.1353 COC(=O)CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009816466 [0,1,0,1,0,0|2,0,0]=4 7657 B16R1.1353 COC(=O)CCCCCN1CCC[C@@H]1CO 34a_100000745186_100009816466 [0,1,0,1,0,0|2,0,0]=4 7658 B16R1.3257 COC(=O)CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100010004213 [0,1,0,1,0,0|1,1,0]=4 7659 B16R1.3257 COC(=O)CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100010004213 [0,1,0,1,0,0|1,1,0]=4 7660 B16R1.3257 COC(=O)CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100010004213 [0,1,0,1,0,0|1,1,0]=4 7661 B16R1.3257 COC(=O)CCCCCCOCC1CC1C 34a_100000744939_100009815986 [0,1,0,1,0,0|2,0,0]=4 7662 B16R1.3257 COC(=O)CCCCCCOCC1CC1C 7a_100000744939_100009815986 [0,1,0,1,0,0|2,0,0]=4 7663 B16R1.3258 COC(=O)CCCCCCCCN1CCC1 269982a_100000754969_100010282707 [0,1,0,1,0,0|2,0,0]=4 7664 B16R1.3258 COC(=O)CCCCCCCNC1CCC1 2230a_100000749019_100010004213 [0,1,0,1,0,0|2,0,0]=4 7665 B16R1.3258 COC(=O)CCCCCCCNC1CCC1 34a_100000749019_100010004213 [0,1,0,1,0,0|2,0,0]=4 7666 B16R1.3258 COC(=O)CCCCCCCOC1CCC1 34a_100000748187_100010004213 [0,1,0,1,0,0|2,0,0]=4 7667 B16R1.3258 COC(=O)CCCCCCCOC1CCC1 34a_100011022521_100000749161 [0,1,0,1,0,0|2,0,0]=4 7668 B16R1.3258 COC(=O)CCCCCCCSC1CCC1 62a_100010004213_100000749161 [0,1,0,1,0,0|2,0,0]=4 7669 B16R1.3258 COC(=O)CCCCCCNCC1CCC1 2230a_100000738700_100009815986 [0,1,0,1,0,0|2,0,0]=4 7670 B16R1.3258 COC(=O)CCCCCCNCC1CCC1 34a_100000738700_100009815986 [0,1,0,1,0,0|2,0,0]=4 7671 B16R1.3258 COC(=O)CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100009815986 [0,1,0,1,0,0|2,0,0]=4 7672 B16R1.3258 COC(=O)CCCCCCNC[C@@H]1CCO1 34a_100020831831_100009815986 [0,1,0,1,0,0|2,0,0]=4 7673 B16R1.3258 COC(=O)CCCCCCOCC1CCC1 34a_100000760304_100009815986 [0,1,0,1,0,0|2,0,0]=4 7674 B16R1.3258 COC(=O)CCCCCCOCC1CCC1 34a_100009863599_100000763275 [0,1,0,1,0,0|2,0,0]=4 7675 B16R1.3258 COC(=O)CCCCCCOCC1CCC1 7a_100009863599_100000763275 [0,1,0,1,0,0|2,0,0]=4 7676 B16R1.3258 COC(=O)CCCCCCOCC1CCO1 34a_100000039022_100009815986 [0,1,0,1,0,0|2,0,0]=4 7677 B16R1.3258 COC(=O)CCCCCCOCC1CCO1 34a_100009863599_100000103362 [0,1,0,1,0,0|2,0,0]=4 7678 B16R1.3258 COC(=O)CCCCCCOCC1CCO1 7a_100009863599_100000103362 [0,1,0,1,0,0|2,0,0]=4 7679 B16R1.3258 COC(=O)CCCCCCSCC1CCC1 62a_100000763275_100009815986 [0,1,0,1,0,0|2,0,0]=4 7680 B16R1.3258 COC(=O)CCCCCCSCC1CCC1 62a_100009815986_100000763275 [0,1,0,1,0,0|2,0,0]=4 7681 B16R1.3258 COC(=O)CCCCCCSCC1CCO1 62a_100000103362_100009815986 [0,1,0,1,0,0|2,0,0]=4 7682 B16R1.3258 COC(=O)CCCCCCSCC1CCO1 62a_100009815986_100000103362 [0,1,0,1,0,0|2,0,0]=4 7683 B16R1.3907 CCCCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210681 [0,1,0,1,0,0|2,0,0]=4 7684 B16R1.3907 CCCCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210681 [0,1,0,1,0,0|2,0,0]=4 7685 B16R1.3907 CCCCCCOC1CCCC1C(=O)OC 34a_200000081814_100000210314 [0,1,0,1,0,0|2,0,0]=4 7686 B16R1.3907 CCCCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210314 [0,1,0,1,0,0|2,0,0]=4 7687 B16R1.3907 COC(=O)C1CCCC1OCCCCCF 34a_200000081814_100000729378 [0,1,0,1,0,0|1,1,0]=4 7688 B16R1.3907 COC(=O)C1CCCC1OCCCCCF 7a_200000081814_100000729378 [0,1,0,1,0,0|1,1,0]=4 7689 B16R1.3907 COC(=O)C1CCCC1OCCCCCO 34a_200000081814_100000746330 [0,1,0,1,0,0|2,0,0]=4 7690 B16R1.3907 COC(=O)C1CCCC1OCCCCCO 7a_200000081814_100000746330 [0,1,0,1,0,0|2,0,0]=4 7691 B16R1.3907 COC(=O)[C@@H]1CCCN1CCCCCCF 2230a_100000752040_100015922095 [0,1,0,1,0,0|1,1,0]=4 7692 B16R1.3907 COC(=O)[C@@H]1CCCN1CCCCCCF 269982a_100000752040_100015922095 [0,1,0,1,0,0|1,1,0]=4 7693 B16R1.3907 COC(=O)[C@@H]1CCCN1CCCCCCO 2230a_100000752040_100000766143 [0,1,0,1,0,0|2,0,0]=4 7694 B16R1.3907 COC(=O)[C@@H]1CCCN1CCCCCCO 269982a_100000752040_100000766143 [0,1,0,1,0,0|2,0,0]=4 7695 B16R1.3910 CCC1CCCCC1OCCCC(=O)OC 34a_100000210738_100000742333 [0,1,0,1,0,0|2,0,0]=4 7696 B16R1.3910 CCC1CCCCC1OCCCC(=O)OC 7a_100000210738_100011218270 [0,1,0,1,0,0|2,0,0]=4 7697 B16R1.3910 CCC1CCCCN1CCCCC(=O)OC 2230a_100000210034_100000204269 [0,1,0,1,0,0|2,0,0]=4 7698 B16R1.3910 CCC1CCCCN1CCCCC(=O)OC 269982a_100000210034_100000204269 [0,1,0,1,0,0|2,0,0]=4 7699 B16R1.3910 CCC1CCCCN1CCCCC(=O)OC 34a_100000210034_100000204269 [0,1,0,1,0,0|2,0,0]=4 7700 B16R1.3910 COC(=O)CCCCN1CCCCC1CO 2230a_100000210821_100000204269 [0,1,0,1,0,0|2,0,0]=4 7701 B16R1.3910 COC(=O)CCCCN1CCCCC1CO 269982a_100000210821_100000204269 [0,1,0,1,0,0|2,0,0]=4 7702 B16R1.3910 COC(=O)CCCCN1CCCCC1CO 34a_100000210821_100000204269 [0,1,0,1,0,0|2,0,0]=4 7703 B16R1.3910 COC(=O)CCCOC1CCCCC1CN 34a_100011216029_100000742333 [0,1,0,1,0,0|2,0,0]=4 7704 B16R1.6688 O=C1CCC1CCOCCCCCCCBr 7a_100000760002_200016118888 [0,1,0,1,0,0|2,0,0]=4 7705 B16R1.6688 O=C1CCC1OCCCCCCCCCBr 34a_100009813782_100009892977 [0,1,0,1,0,0|2,0,0]=4 7706 B16R1.6688 O=C1CCC1OCCCCCCCCCBr 7a_100009813782_100009892977 [0,1,0,1,0,0|2,0,0]=4 7707 B16R1.12872 CCCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210759 [0,1,0,1,0,0|2,0,0]=4 7708 B16R1.12872 CCCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210759 [0,1,0,1,0,0|2,0,0]=4 7709 B16R1.12872 COC(=O)[C@@H]1CCN1CCCCCCCO 2230a_102516456887_100000760002 [0,1,0,1,0,0|2,0,0]=4 7710 B16R1.12872 COC(=O)[C@@H]1CCN1CCCCCCCO 269982a_102516456887_100000760002 [0,1,0,1,0,0|2,0,0]=4 7711 B16R1.16747 COC(=O)CCCCCCCCNC1CC1 34a_100000212008_100010282707 [0,1,0,1,0,0|2,0,0]=4 7712 B16R1.16747 COC(=O)CCCCCCCCOC1CC1 34a_100000035544_100000211595 [0,1,0,1,0,0|2,0,0]=4 7713 B16R1.16747 COC(=O)CCCCCCCCSC1CC1 62a_100010282707_100000211595 [0,1,0,1,0,0|2,0,0]=4 7714 B16R1.16747 COC(=O)CCCCCCCNCC1CC1 2230a_100000735609_100010004213 [0,1,0,1,0,0|2,0,0]=4 7715 B16R1.16747 COC(=O)CCCCCCCNCC1CC1 34a_100000735609_100010004213 [0,1,0,1,0,0|2,0,0]=4 7716 B16R1.16747 COC(=O)CCCCCCCOCC1CC1 34a_100000211283_100010004213 [0,1,0,1,0,0|2,0,0]=4 7717 B16R1.16747 COC(=O)CCCCCCCOCC1CC1 34a_100011022521_100000742324 [0,1,0,1,0,0|2,0,0]=4 7718 B16R1.16747 COC(=O)CCCCCCCOCC1CC1 7a_100011022521_100000742324 [0,1,0,1,0,0|2,0,0]=4 7719 B16R1.16747 COC(=O)CCCCCCCOCC1CO1 34a_100011022521_102125554688 [0,1,0,1,0,0|2,0,0]=4 7720 B16R1.16747 COC(=O)CCCCCCCOCC1CO1 7a_100011022521_102125554688 [0,1,0,1,0,0|2,0,0]=4 7721 B16R1.16747 COC(=O)CCCCCCCOCC1CS1 7a_100011022521_100000031435 [0,1,0,1,0,0|2,0,0]=4 7722 B16R1.16747 COC(=O)CCCCCCCOC[C@@H]1CO1 34a_100000757423_100010004213 [0,1,0,1,0,0|2,0,0]=4 7723 B16R1.16747 COC(=O)CCCCCCCOC[C@@H]1CO1 7a_100011022521_100000745022 [0,1,0,1,0,0|2,0,0]=4 7724 B16R1.16747 COC(=O)CCCCCCCSCC1CC1 62a_100000756562_100010004213 [0,1,0,1,0,0|2,0,0]=4 7725 B16R1.16747 COC(=O)CCCCCCCSCC1CC1 62a_100010004213_100000742324 [0,1,0,1,0,0|2,0,0]=4 7726 B16R1.16747 COC(=O)CCCCCCCSCC1CO1 62a_100010004213_102125554688 [0,1,0,1,0,0|2,0,0]=4 7727 B16R1.16747 COC(=O)CCCCCCCSCC1CO1 62a_102125554688_100010004213 [0,1,0,1,0,0|2,0,0]=4 7728 B16R1.16747 COC(=O)CCCCCCCSCC1CS1 62a_100000031435_100010004213 [0,1,0,1,0,0|2,0,0]=4 7729 B16R1.16747 COC(=O)CCCCCCCSCC1CS1 62a_100010004213_100000031435 [0,1,0,1,0,0|2,0,0]=4 7730 B16R1.16747 COC(=O)CCCCCCCSC[C@@H]1CO1 62a_100000745022_100010004213 [0,1,0,1,0,0|2,0,0]=4 7731 B16R1.16747 COC(=O)CCCCCCCSC[C@@H]1CO1 62a_100010004213_100000745022 [0,1,0,1,0,0|2,0,0]=4 7732 B16R1.16747 COC(=O)CCCCCCNCCC1CC1 34a_100000764129_100009815986 [0,1,0,1,0,0|2,0,0]=4 7733 B16R1.16747 COC(=O)CCCCCCOCCC1CC1 34a_100000754188_100009815986 [0,1,0,1,0,0|2,0,0]=4 7734 B16R1.16747 COC(=O)CCCCCCOCCC1CC1 34a_100009863599_100000694398 [0,1,0,1,0,0|2,0,0]=4 7735 B16R1.16747 COC(=O)CCCCCCOCCC1CC1 7a_100000754188_100009815986 [0,1,0,1,0,0|2,0,0]=4 7736 B16R1.16747 COC(=O)CCCCCCOCCC1CC1 7a_100009863599_100000764125 [0,1,0,1,0,0|2,0,0]=4 7737 B16R1.16747 COC(=O)CCCCCCOCCC1CO1 34a_100009863599_100000732470 [0,1,0,1,0,0|2,0,0]=4 7738 B16R1.16747 COC(=O)CCCCCCOCCC1CO1 7a_100009863599_100000732470 [0,1,0,1,0,0|2,0,0]=4 7739 B16R1.16747 COC(=O)CCCCCCOCC[C@@H]1CO1 34a_100009820653_100009815986 [0,1,0,1,0,0|2,0,0]=4 7740 B16R1.16747 COC(=O)CCCCCCSCCC1CC1 62a_100000764125_100009815986 [0,1,0,1,0,0|2,0,0]=4 7741 B16R1.16747 COC(=O)CCCCCCSCCC1CC1 62a_100009815986_100000764125 [0,1,0,1,0,0|2,0,0]=4 7742 B16R1.16747 COC(=O)CCCCCCSCCC1CO1 62a_100000732470_100009815986 [0,1,0,1,0,0|2,0,0]=4 7743 B16R1.16747 COC(=O)CCCCCCSCCC1CO1 62a_100009815986_100000732470 [0,1,0,1,0,0|2,0,0]=4 7744 B16R1.16747 COC(=O)CCCCCOCCCC1CO1 34a_100000074720_100000733510 [0,1,0,1,0,0|2,0,0]=4 7745 B16R1.16747 COC(=O)CCCCCOCCCC1CO1 7a_100000074720_100000733510 [0,1,0,1,0,0|2,0,0]=4 7746 B16R1.16747 COC(=O)CCCCCSCCCC1CO1 62a_100000733510_100009816466 [0,1,0,1,0,0|2,0,0]=4 7747 B16R1.16747 COC(=O)CCCCCSCCCC1CO1 62a_100009816466_100000733510 [0,1,0,1,0,0|2,0,0]=4 7748 B16R1.16885 COC(=O)CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009815986 [0,1,0,1,0,0|2,0,0]=4 7749 B16R1.16885 COC(=O)CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100009815986 [0,1,0,1,0,0|2,0,0]=4 7750 B16R1.16885 COC(=O)CCCCCCN1CCC[C@H]1C 2230a_100015189458_100009815986 [0,1,0,1,0,0|2,0,0]=4 7751 B16R1.16885 COC(=O)CCCCCCN1CCC[C@H]1C 269982a_100015189458_100009815986 [0,1,0,1,0,0|2,0,0]=4 7752 B16R1.16885 COC(=O)CCCCCCN1CCC[C@H]1C 34a_100015189458_100009815986 [0,1,0,1,0,0|2,0,0]=4 7753 B16R1.16885 COC(=O)CCCCCOC1CCCC1C 34a_100011216460_100009816466 [0,1,0,1,0,0|2,0,0]=4 7754 B16R1.16885 COC(=O)CCCCCOC1CCCC1C 7a_100011216460_100009816466 [0,1,0,1,0,0|2,0,0]=4 7755 B16R1.16885 COC(=O)CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009816466 [0,1,0,1,0,0|1,1,0]=4 7756 B16R1.16885 COC(=O)CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009816466 [0,1,0,1,0,0|2,0,0]=4 7757 B16R1.16885 COC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_100009816466_200016002552 [0,1,0,1,0,0|2,0,0]=4 7758 B16R1.16885 COC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009816466 [0,1,0,1,0,0|2,0,0]=4 7759 B16R1.16890 COC(=O)CCCCCCCN1CCC1C 269982a_100000755817_100010004213 [0,1,0,1,0,0|2,0,0]=4 7760 B16R1.16890 COC(=O)CCCCCCCN1CCC1C 34a_100000755817_100010004213 [0,1,0,1,0,0|2,0,0]=4 7761 B16R1.16924 COC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100009816466 [0,1,0,1,0,0|2,0,0]=4 7762 B16R1.16924 COC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100009816466 [0,1,0,1,0,0|2,0,0]=4 7763 B16R1.16924 COC(=O)CCCCCN1CCCCCC1 34a_100000185865_100009816466 [0,1,0,1,0,0|2,0,0]=4 7764 B16R1.16924 COC(=O)CCCCNC1CCCCCC1 2230a_100000210984_100000204269 [0,1,0,1,0,0|2,0,0]=4 7765 B16R1.16924 COC(=O)CCCCNC1CCCCCC1 34a_100000210984_100000204269 [0,1,0,1,0,0|2,0,0]=4 7766 B16R1.16924 COC(=O)CCCCOC1CCCCCC1 34a_100000059025_100011217769 [0,1,0,1,0,0|2,0,0]=4 7767 B16R1.16924 COC(=O)CCCCOC1CCCCCC1 34a_100000210887_100000204269 [0,1,0,1,0,0|2,0,0]=4 7768 B16R1.16924 COC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000204269 [0,1,0,1,0,0|2,0,0]=4 7769 B16R1.16924 COC(=O)CCCCSC1CCCCCC1 62a_100000204269_100011217769 [0,1,0,1,0,0|2,0,0]=4 7770 B16R1.16924 COC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000204269 [0,1,0,1,0,0|2,0,0]=4 7771 B16R1.16924 COC(=O)CCCNCC1CCCCCC1 2230a_100015204231_100011218270 [0,1,0,1,0,0|2,0,0]=4 7772 B16R1.16924 COC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000742333 [0,1,0,1,0,0|2,0,0]=4 7773 B16R1.16924 COC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000742333 [0,1,0,1,0,0|2,0,0]=4 7774 B16R1.16924 COC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011218270 [0,1,0,1,0,0|2,0,0]=4 7775 B16R1.16924 COC(=O)CCCSCC1CCCCCC1 62a_100011218270_200000696569 [0,1,0,1,0,0|2,0,0]=4 7776 B16R1.16924 COC(=O)CCCSCC1CCCCCC1 62a_200000696569_100011218270 [0,1,0,1,0,0|2,0,0]=4 7777 B16R1.16924 COC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000204255 [0,1,0,1,0,0|2,0,0]=4 7778 B16R1.16924 COC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000742370 [0,1,0,1,0,0|2,0,0]=4 7779 B16R1.17553 CCCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100011214924 [0,1,0,1,0,0|2,0,0]=4 7780 B16R1.17553 COC(=O)C1CN1CCCCCCCCO 2230a_200009830135_100000033203 [0,1,0,1,0,0|2,0,0]=4 7781 B16R1.18261 COC(=O)CCCCN1CCCCCCC1 2230a_100000211400_100000204269 [0,1,0,1,0,0|2,0,0]=4 7782 B16R1.18261 COC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000204269 [0,1,0,1,0,0|2,0,0]=4 7783 B16R1.18261 COC(=O)CCCCN1CCCCCCC1 34a_100000211400_100000204269 [0,1,0,1,0,0|2,0,0]=4 7784 B16R1.18261 COC(=O)CCCNC1CCCCCCC1 2230a_100000211152_100011218270 [0,1,0,1,0,0|2,0,0]=4 7785 B16R1.18261 COC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000742333 [0,1,0,1,0,0|2,0,0]=4 7786 B16R1.18261 COC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000742333 [0,1,0,1,0,0|2,0,0]=4 7787 B16R1.18261 COC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011218270 [0,1,0,1,0,0|2,0,0]=4 7788 B16R1.18261 COC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000742370 [0,1,0,1,0,0|2,0,0]=4 7789 B16R1.18261 COC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000204255 [0,1,0,1,0,0|2,0,0]=4 7790 B16R1.18261 COC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747449 [0,1,0,1,0,0|2,0,0]=4 7791 B16R1.18261 COC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000747449 [0,1,0,1,0,0|2,0,0]=4 7792 B16R1.18469 COC(=O)CCCN1CCCCCCCC1 2230a_100000039187_100011218270 [0,1,0,1,0,0|2,0,0]=4 7793 B16R1.18469 COC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100011218270 [0,1,0,1,0,0|2,0,0]=4 7794 B16R1.18469 COC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000742333 [0,1,0,1,0,0|2,0,0]=4 7795 B16R1.4131 CC(CNCCCC1CCCCC1)C(=O)O 269956a_100000749485_100011713725 [0,1,0,1,0,0|2,0,0]=4 7796 B16R1.4131 O=C(O)C(F)CNCCCC1CCCCC1 269956a_100000084737_100011713725 [0,1,0,1,0,0|2,0,0]=4 7797 B16R1.8528 CC1(CCCCN1CCCCCF)C(=O)O 269956a_100000698061_100000729378 [0,1,0,1,0,0|1,1,0]=4 7798 B16R1.8528 CC1(CCCCN1CCCCCO)C(=O)O 269956a_100000698061_100000746330 [0,1,0,1,0,0|2,0,0]=4 7799 B16R1.8528 CCCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210757 [0,1,0,1,0,0|2,0,0]=4 7800 B16R1.12877 CCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210614 [0,1,0,1,0,0|2,0,0]=4 7801 B16R1.12877 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCCCF 269956a_100015195206_100015922095 [0,1,0,1,0,0|1,1,0]=4 7802 B16R1.12877 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCCCO 269956a_100015195206_100000766143 [0,1,0,1,0,0|2,0,0]=4 7803 B16R1.17546 CCCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210759 [0,1,0,1,0,0|2,0,0]=4 7804 B16R1.17546 O=C(O)[C@H]1C[C@H](C1)NCCCCCCCO 269956a_100000738708_100000760002 [0,1,0,1,0,0|2,0,0]=4 7805 B16R1.17793 CCCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210757 [0,1,0,1,0,0|2,0,0]=4 7806 B16R1.17793 O=C(O)C1CCCC(C1)NCCCCCF 269956a_100011216634_100000729378 [0,1,0,1,0,0|1,1,0]=4 7807 B16R1.17793 O=C(O)C1CCCC(C1)NCCCCCO 269956a_100011216634_100000746330 [0,1,0,1,0,0|2,0,0]=4 7808 B16R1.23446 CCCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210614 [0,1,0,1,0,0|2,0,0]=4 7809 B16R1.23446 C[C@]1(CCCN1CCCCCCF)C(=O)O 269956a_100009816582_100015922095 [0,1,0,1,0,0|1,1,0]=4 7810 B16R1.23446 C[C@]1(CCCN1CCCCCCO)C(=O)O 269956a_100009816582_100000766143 [0,1,0,1,0,0|2,0,0]=4 7811 B16R1.1225 CCCCCCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210757 [0,1,0,1,0,0|2,0,0]=4 7812 B16R1.1225 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCCCF 269956a_100009817619_100000729378 [0,1,0,1,0,0|1,1,0]=4 7813 B16R1.1225 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCCCO 269956a_100009817619_100000746330 [0,1,0,1,0,0|2,0,0]=4 7814 B16R1.3895 CCCCCCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210614 [0,1,0,1,0,0|2,0,0]=4 7815 B16R1.3895 CCCCCCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210614 [0,1,0,1,0,0|2,0,0]=4 7816 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCF)F 269956a_100016993324_100015922095 [0,1,0,1,0,0|1,1,0]=4 7817 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCF)O 269956a_100000750407_100015922095 [0,1,0,1,0,0|1,1,0]=4 7818 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCO)F 269956a_100016993324_100000766143 [0,1,0,1,0,0|2,0,0]=4 7819 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCO)O 269956a_100000750407_100000766143 [0,1,0,1,0,0|2,0,0]=4 7820 B16R1.959 CC(CCO)N1CCCCC1CCC(=O)O 269956a_100000694054_100009893172 [0,1,0,1,0,0|2,0,0]=4 7821 B16R1.959 CCCC(C)N1CCCCC1CCC(=O)O 269956a_100000694054_100000766640 [0,1,0,1,0,0|2,0,0]=4 7822 B16R1.1275 CC(=O)CCCCNCCCC1CCCC1 34a_100000736752_100009817362 [0,1,0,1,0,0|2,0,0]=4 7823 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 34a_100011215328_100009817362 [0,1,0,1,0,0|2,0,0]=4 7824 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 7a_100011215328_100000735457 [0,1,0,1,0,0|2,0,0]=4 7825 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100000735457_100011713738 [0,1,0,1,0,0|2,0,0]=4 7826 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100011713738_100000735457 [0,1,0,1,0,0|2,0,0]=4 7827 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 2230a_100000739158_100009817443 [0,1,0,1,0,0|2,0,0]=4 7828 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 34a_100000739158_100009817443 [0,1,0,1,0,0|2,0,0]=4 7829 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000123541_100000760354 [0,1,0,1,0,0|2,0,0]=4 7830 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000749090_100009817443 [0,1,0,1,0,0|2,0,0]=4 7831 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000123541_100000760354 [0,1,0,1,0,0|2,0,0]=4 7832 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000749090_100009817443 [0,1,0,1,0,0|2,0,0]=4 7833 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100000760354_100009817443 [0,1,0,1,0,0|2,0,0]=4 7834 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100009817443_100000760354 [0,1,0,1,0,0|2,0,0]=4 7835 B16R1.1275 NC(=O)CCCCNCCCC1CCCC1 34a_100000696515_100011713738 [0,1,0,1,0,0|2,0,0]=4 7836 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 34a_100012022536_100011713738 [0,1,0,1,0,0|2,0,0]=4 7837 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 7a_100012022536_100011713738 [0,1,0,1,0,0|2,0,0]=4 7838 B16R1.1275 O=C(O)COCCNCCCC1CCCC1 269956a_100000700818_100011713738 [0,1,0,1,0,0|2,0,0]=4 7839 B16R1.1275 O=C([O-])CCCCCOCCC1CCCC1 7a_100102619762_100000760354 [0,1,0,1,0,0|1,0,1]=4 7840 B16R1.4440 CCCC(C)CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011216630 [0,1,0,1,0,0|2,0,0]=4 7841 B16R1.14998 CCCC(C)CN1CCCCCC1C(=O)O 269956a_100000758484_100011216630 [0,1,0,1,0,0|2,0,0]=4 7842 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 269982a_100000039187_100000735457 [0,1,0,1,0,0|2,0,0]=4 7843 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 34a_100000039187_100009817362 [0,1,0,1,0,0|2,0,0]=4 7844 B16R1.12677 CC1CCCC(N1CCCCCF)C(=O)O 269956a_100000704260_100000729378 [0,1,0,1,0,0|1,1,0]=4 7845 B16R1.12677 CC1CCCC(N1CCCCCO)C(=O)O 269956a_100000704260_100000746330 [0,1,0,1,0,0|2,0,0]=4 7846 B16R1.12677 CCCCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210757 [0,1,0,1,0,0|2,0,0]=4 7847 B16R1.40712 CCCCCCCC(C)N1CCC1C(=O)O 269956a_100000021838_200011218727 [0,1,0,1,0,0|2,0,0]=4 7848 B16R1.27 CCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210759 [0,1,0,1,0,0|2,0,0]=4 7849 B16R1.27 CCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210614 [0,1,0,1,0,0|2,0,0]=4 7850 B16R1.27 O=C1CCCC(C1)OCCCCCCCO 34a_100012613340_100000760002 [0,1,0,1,0,0|2,0,0]=4 7851 B16R1.27 O=C1CCCC(N1)COCCCCCCF 34a_200000102386_100015922095 [0,1,0,1,0,0|1,1,0]=4 7852 B16R1.27 O=C1CCCC(N1)COCCCCCCO 34a_200000102386_100000766143 [0,1,0,1,0,0|2,0,0]=4 7853 B16R1.57 CC(=O)CCCCOC1CCCCC1CN 34a_100011216029_100009817362 [0,1,0,1,0,0|2,0,0]=4 7854 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000757040 [0,1,0,1,0,0|2,0,0]=4 7855 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000757040 [0,1,0,1,0,0|2,0,0]=4 7856 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 34a_100000210738_100009817362 [0,1,0,1,0,0|2,0,0]=4 7857 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 7a_100000210738_100000735457 [0,1,0,1,0,0|2,0,0]=4 7858 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 2230a_100000210034_100009817443 [0,1,0,1,0,0|2,0,0]=4 7859 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 269982a_100000210034_100009817443 [0,1,0,1,0,0|2,0,0]=4 7860 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 34a_100000210034_100009817443 [0,1,0,1,0,0|2,0,0]=4 7861 B16R1.57 NC(=O)CCCCCN1CCCCC1CO 2230a_100000210821_100009817443 [0,1,0,1,0,0|2,0,0]=4 7862 B16R1.57 NC(=O)CCCCCN1CCCCC1CO 269982a_100000210821_100009817443 [0,1,0,1,0,0|2,0,0]=4 7863 B16R1.57 NC(=O)CCCCCN1CCCCC1CO 34a_100000210821_100009817443 [0,1,0,1,0,0|2,0,0]=4 7864 B16R1.57 NC(=O)CCCCNC1CCCCC1CO 270004a_100000696515_100009861125 [0,1,0,1,0,0|2,0,0]=4 7865 B16R1.250 CCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210320 [0,1,0,1,0,0|2,0,0]=4 7866 B16R1.250 CCCCCCCCCNCC1CC(=O)C1 2230a_100000212291_100009874392 [0,1,0,1,0,0|2,0,0]=4 7867 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011214924 [0,1,0,1,0,0|2,0,0]=4 7868 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 7a_100000210712_100009874392 [0,1,0,1,0,0|2,0,0]=4 7869 B16R1.250 CCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210670 [0,1,0,1,0,0|2,0,0]=4 7870 B16R1.250 O=C1CC(C1)CNCCCCCCCCO 2230a_102515433106_100009874392 [0,1,0,1,0,0|2,0,0]=4 7871 B16R1.250 O=C1CC(C1)COCCCCCCCCBr 7a_100009813846_100009874392 [0,1,0,1,0,0|1,0,0]=3 7872 B16R1.250 O=C1CC(C1)COCCCCCCCCCl 7a_100000033203_100009874392 [0,1,0,1,0,0|1,1,0]=4 7873 B16R1.250 O=C1CC(C1)COCCCCCCCCO 34a_100000101936_100000033203 [0,1,0,1,0,0|2,0,0]=4 7874 B16R1.250 O=C1CC(C1)CSCCCCCCCCO 62a_100000033203_100009874392 [0,1,0,1,0,0|2,0,0]=4 7875 B16R1.250 O=C1CC(C1)CSCCCCCCCCO 62a_100009874392_100000033203 [0,1,0,1,0,0|2,0,0]=4 7876 B16R1.250 O=C1CC(C1)SCCCCCCCCCO 62a_100009894365_100009813782 [0,1,0,1,0,0|2,0,0]=4 7877 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210314 [0,1,0,1,0,0|2,0,0]=4 7878 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210757 [0,1,0,1,0,0|2,0,0]=4 7879 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210314 [0,1,0,1,0,0|2,0,0]=4 7880 B16R1.270 NC(=O)CC1CCCCN1CCCCCF 2230a_100015184752_100000729378 [0,1,0,1,0,0|1,1,0]=4 7881 B16R1.270 NC(=O)CC1CCCCN1CCCCCF 269982a_100015184752_100000729378 [0,1,0,1,0,0|1,1,0]=4 7882 B16R1.270 NC(=O)CC1CCCCN1CCCCCF 34a_100015184752_100000729378 [0,1,0,1,0,0|1,1,0]=4 7883 B16R1.270 NC(=O)CC1CCCCN1CCCCCO 2230a_100015184752_100000746330 [0,1,0,1,0,0|2,0,0]=4 7884 B16R1.270 NC(=O)CC1CCCCN1CCCCCO 269982a_100015184752_100000746330 [0,1,0,1,0,0|2,0,0]=4 7885 B16R1.270 NC(=O)CC1CCCCN1CCCCCO 34a_100015184752_100000746330 [0,1,0,1,0,0|2,0,0]=4 7886 B16R1.290 CC(=O)CCCCNCC1CCCCC1O 34a_100011216029_100009817362 [0,1,0,1,0,0|2,0,0]=4 7887 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 2230a_100000211402_100009817443 [0,1,0,1,0,0|2,0,0]=4 7888 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 34a_100000211402_100009817443 [0,1,0,1,0,0|2,0,0]=4 7889 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 34a_100000211207_100009817443 [0,1,0,1,0,0|2,0,0]=4 7890 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 7a_100000211207_100009817443 [0,1,0,1,0,0|2,0,0]=4 7891 B16R1.290 NC(=O)CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009817443 [0,1,0,1,0,0|1,1,0]=4 7892 B16R1.290 NC(=O)CCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817443 [0,1,0,1,0,0|1,1,0]=4 7893 B16R1.290 NC(=O)CCCCCOC1CCCCC1Cl 34a_100000038908_100009817443 [0,1,0,1,0,0|1,1,0]=4 7894 B16R1.290 NC(=O)CCCCCOC1CCCCC1Cl 7a_100000038908_100009817443 [0,1,0,1,0,0|1,1,0]=4 7895 B16R1.290 NC(=O)CCCCCOC1CCCCC1F 34a_100000123541_100015423560 [0,1,0,1,0,0|1,1,0]=4 7896 B16R1.290 NC(=O)CCCCCOC1CCCCC1O 34a_100000123541_100000038908 [0,1,0,1,0,0|2,0,0]=4 7897 B16R1.290 NC(=O)CCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817443 [0,1,0,1,0,0|1,1,0]=4 7898 B16R1.290 NC(=O)CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009817443 [0,1,0,1,0,0|1,1,0]=4 7899 B16R1.290 NC(=O)CCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817443 [0,1,0,1,0,0|2,0,0]=4 7900 B16R1.290 NC(=O)CCCCCSC1CCCCC1F 62a_100009817443_100015423560 [0,1,0,1,0,0|1,1,0]=4 7901 B16R1.290 NC(=O)CCCCCSC1CCCCC1F 62a_100015423560_100009817443 [0,1,0,1,0,0|1,1,0]=4 7902 B16R1.290 NC(=O)CCCCCSC1CCCCC1O 62a_100000038908_100009817443 [0,1,0,1,0,0|2,0,0]=4 7903 B16R1.290 NC(=O)CCCCCSC1CCCCC1O 62a_100009817443_100000038908 [0,1,0,1,0,0|2,0,0]=4 7904 B16R1.596 CC(=O)CCCCCCOC1CCCCO1 1458a_100000070787_100000033462 [0,1,0,1,0,0|2,0,0]=4 7905 B16R1.596 CC(=O)CCCCNCCC1CCCCC1 34a_100000738074_100009817362 [0,1,0,1,0,0|2,0,0]=4 7906 B16R1.596 CC(=O)CCCCNCCC1CCCCO1 34a_100015183643_100009817362 [0,1,0,1,0,0|2,0,0]=4 7907 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 34a_100011217863_100009817362 [0,1,0,1,0,0|2,0,0]=4 7908 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 7a_100011217863_100000735457 [0,1,0,1,0,0|2,0,0]=4 7909 B16R1.596 CC(=O)CCCCOCCC1CCCCN1 34a_100000211664_100009817362 [0,1,0,1,0,0|2,0,0]=4 7910 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100000735457_100012355289 [0,1,0,1,0,0|2,0,0]=4 7911 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100012355289_100000735457 [0,1,0,1,0,0|2,0,0]=4 7912 B16R1.596 CC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000685027 [0,1,0,1,0,0|2,0,0]=4 7913 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000685027 [0,1,0,1,0,0|2,0,0]=4 7914 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000759063_100011713725 [0,1,0,1,0,0|2,0,0]=4 7915 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100011215641 [0,1,0,1,0,0|2,0,0]=4 7916 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000759063_100011713725 [0,1,0,1,0,0|2,0,0]=4 7917 B16R1.596 CC(=O)CCCOCCCC1CCCCN1 34a_100011934581_100000685027 [0,1,0,1,0,0|2,0,0]=4 7918 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011215641_100011713725 [0,1,0,1,0,0|2,0,0]=4 7919 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100011215641 [0,1,0,1,0,0|2,0,0]=4 7920 B16R1.596 CC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000053229 [0,1,0,1,0,0|2,0,0]=4 7921 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 2230a_100000210473_100009817443 [0,1,0,1,0,0|2,0,0]=4 7922 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 34a_100000210473_100009817443 [0,1,0,1,0,0|2,0,0]=4 7923 B16R1.596 NC(=O)CCCCCNCC1CCCCO1 2230a_100000174945_100009817443 [0,1,0,1,0,0|2,0,0]=4 7924 B16R1.596 NC(=O)CCCCCNCC1CCCCO1 34a_100000174945_100009817443 [0,1,0,1,0,0|2,0,0]=4 7925 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000123541_100000211423 [0,1,0,1,0,0|2,0,0]=4 7926 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000212181_100009817443 [0,1,0,1,0,0|2,0,0]=4 7927 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000123541_100000211423 [0,1,0,1,0,0|2,0,0]=4 7928 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000212181_100009817443 [0,1,0,1,0,0|2,0,0]=4 7929 B16R1.596 NC(=O)CCCCCOCC1CCCCN1 34a_100000210821_100009817443 [0,1,0,1,0,0|2,0,0]=4 7930 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 34a_100000123541_100000211543 [0,1,0,1,0,0|2,0,0]=4 7931 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 34a_100000211370_100009817443 [0,1,0,1,0,0|2,0,0]=4 7932 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 7a_100000123541_100000211543 [0,1,0,1,0,0|2,0,0]=4 7933 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 7a_100000211370_100009817443 [0,1,0,1,0,0|2,0,0]=4 7934 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100000211423_100009817443 [0,1,0,1,0,0|2,0,0]=4 7935 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100009817443_100000211423 [0,1,0,1,0,0|2,0,0]=4 7936 B16R1.596 NC(=O)CCCCCSCC1CCCCO1 62a_100000211543_100009817443 [0,1,0,1,0,0|2,0,0]=4 7937 B16R1.596 NC(=O)CCCCCSCC1CCCCO1 62a_100009817443_100000211543 [0,1,0,1,0,0|2,0,0]=4 7938 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 270004a_100000696515_100011713444 [0,1,0,1,0,0|2,0,0]=4 7939 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 34a_100000696515_100011209188 [0,1,0,1,0,0|2,0,0]=4 7940 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 34a_100012022536_100011209188 [0,1,0,1,0,0|2,0,0]=4 7941 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 7a_100012022536_100011273959 [0,1,0,1,0,0|2,0,0]=4 7942 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100000739312_100011713725 [0,1,0,1,0,0|2,0,0]=4 7943 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100102525003 [0,1,0,1,0,0|2,0,0]=4 7944 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100102525003 [0,1,0,1,0,0|2,0,0]=4 7945 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100102525003 [0,1,0,1,0,0|2,0,0]=4 7946 B16R1.596 NC(=O)CCCOCCCC1CCCCN1 34a_100011934581_100102525003 [0,1,0,1,0,0|2,0,0]=4 7947 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100102525003 [0,1,0,1,0,0|2,0,0]=4 7948 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100102525003_100011713725 [0,1,0,1,0,0|2,0,0]=4 7949 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 34a_100011215267_100000731001 [0,1,0,1,0,0|2,0,0]=4 7950 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000744528 [0,1,0,1,0,0|2,0,0]=4 7951 B16R1.596 O=C(O)CNCCCCOC1CCCCO1 269956a_100016091260_100000031530 [0,1,0,1,0,0|2,0,0]=4 7952 B16R1.596 O=C(O)COCCNCCC1CCCCC1 269956a_100000700818_100011273959 [0,1,0,1,0,0|2,0,0]=4 7953 B16R1.596 O=C([O-])CCCCCOCC1CCCCC1 7a_100102619762_100000211423 [0,1,0,1,0,0|1,0,1]=4 7954 B16R1.596 O=C([O-])CCCCCOCC1CCCCO1 7a_100102619762_100000211543 [0,1,0,1,0,0|1,0,1]=4 7955 B16R1.695 CC(=O)CCCCN1CCCCC1CCO 269982a_100000211664_100000735457 [0,1,0,1,0,0|2,0,0]=4 7956 B16R1.695 CC(=O)CCCCN1CCCCC1CCO 34a_100000211664_100009817362 [0,1,0,1,0,0|2,0,0]=4 7957 B16R1.695 CCCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100011218038 [0,1,0,1,0,0|2,0,0]=4 7958 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 34a_100011217265_100000685027 [0,1,0,1,0,0|2,0,0]=4 7959 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 7a_100011217265_100011215641 [0,1,0,1,0,0|2,0,0]=4 7960 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 34a_100011217265_100102525003 [0,1,0,1,0,0|2,0,0]=4 7961 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 7a_100011217265_100102525003 [0,1,0,1,0,0|2,0,0]=4 7962 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 269982a_100000701414_100000735457 [0,1,0,1,0,0|2,0,0]=4 7963 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 34a_100000701414_100009817362 [0,1,0,1,0,0|2,0,0]=4 7964 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000723119 [0,1,0,1,0,0|2,0,0]=4 7965 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000723119 [0,1,0,1,0,0|2,0,0]=4 7966 B16R1.1255 CC(=O)CCCN1CCCCC1CCCO 269982a_100011934581_100011215641 [0,1,0,1,0,0|2,0,0]=4 7967 B16R1.1255 CC(=O)CCCN1CCCCC1CCCO 34a_100011934581_100000685027 [0,1,0,1,0,0|2,0,0]=4 7968 B16R1.1255 NC(=O)CCCN1CCCCC1CCCO 269982a_100011934581_100102525003 [0,1,0,1,0,0|2,0,0]=4 7969 B16R1.1255 NC(=O)CCCN1CCCCC1CCCO 34a_100011934581_100102525003 [0,1,0,1,0,0|2,0,0]=4 7970 B16R1.1270 CCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000750825 [0,1,0,1,0,0|2,0,0]=4 7971 B16R1.1424 C#CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215417 [0,1,0,1,0,0|1,0,1]=4 7972 B16R1.1424 C=CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011713584 [0,1,0,1,0,0|1,0,1]=4 7973 B16R1.1424 CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210326 [0,1,0,1,0,0|1,0,0]=3 7974 B16R1.1424 CCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210147 [0,1,0,1,0,0|2,0,0]=4 7975 B16R1.1424 CCSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000757381 [0,1,0,1,0,0|2,0,0]=4 7976 B16R1.1424 COCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000740836 [0,1,0,1,0,0|2,0,0]=4 7977 B16R1.1424 N#CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000687738 [0,1,0,1,0,0|1,0,1]=4 7978 B16R1.1424 O=C(O)CCC1CCCCN1CCCCF 269956a_100000694054_100000729493 [0,1,0,1,0,0|0,1,0]=3 7979 B16R1.1424 O=C(O)CCC1CCCCN1CCCCO 269956a_100000694054_100000210776 [0,1,0,1,0,0|1,0,0]=3 7980 B16R1.1424 O=CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_200011292268 [0,1,0,1,0,0|1,0,1]=4 7981 B16R1.1442 CCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_200000198059 [0,1,0,1,0,0|2,0,0]=4 7982 B16R1.3900 C#CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012094781 [0,1,0,1,0,0|1,0,1]=4 7983 B16R1.3900 C#CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100010269958 [0,1,0,1,0,0|1,0,1]=4 7984 B16R1.3900 C=CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000700193 [0,1,0,1,0,0|1,0,1]=4 7985 B16R1.3900 C=CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215482 [0,1,0,1,0,0|1,0,1]=4 7986 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210681 [0,1,0,1,0,0|2,0,0]=4 7987 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210681 [0,1,0,1,0,0|2,0,0]=4 7988 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210614 [0,1,0,1,0,0|2,0,0]=4 7989 B16R1.3900 CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210614 [0,1,0,1,0,0|1,0,0]=3 7990 B16R1.3900 CCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210614 [0,1,0,1,0,0|2,0,0]=4 7991 B16R1.3900 CCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210614 [0,1,0,1,0,0|2,0,0]=4 7992 B16R1.3900 CCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210614 [0,1,0,1,0,0|2,0,0]=4 7993 B16R1.3900 CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210757 [0,1,0,1,0,0|1,0,0]=3 7994 B16R1.3900 CCCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000743108 [0,1,0,1,0,0|2,0,0]=4 7995 B16R1.3900 CCCCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011995733 [0,1,0,1,0,0|2,0,0]=4 7996 B16R1.3900 CCCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215938 [0,1,0,1,0,0|2,0,0]=4 7997 B16R1.3900 CCOCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012232248 [0,1,0,1,0,0|2,0,0]=4 7998 B16R1.3900 COCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000730899 [0,1,0,1,0,0|2,0,0]=4 7999 B16R1.3900 N#CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009813376 [0,1,0,1,0,0|1,0,1]=4 8000 B16R1.3900 N#CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011219923 [0,1,0,1,0,0|1,0,1]=4 8001 B16R1.3900 NC(=O)C1CCCCN1CCCCCCF 2230a_100000181395_100015922095 [0,1,0,1,0,0|1,1,0]=4 8002 B16R1.3900 NC(=O)C1CCCCN1CCCCCCF 269982a_100000181395_100015922095 [0,1,0,1,0,0|1,1,0]=4 8003 B16R1.3900 NC(=O)C1CCCCN1CCCCCCF 34a_100000181395_100015922095 [0,1,0,1,0,0|1,1,0]=4 8004 B16R1.3900 NC(=O)C1CCCCN1CCCCCCO 2230a_100000181395_100000766143 [0,1,0,1,0,0|2,0,0]=4 8005 B16R1.3900 NC(=O)C1CCCCN1CCCCCCO 269982a_100000181395_100000766143 [0,1,0,1,0,0|2,0,0]=4 8006 B16R1.3900 NC(=O)C1CCCCN1CCCCCCO 34a_100000181395_100000766143 [0,1,0,1,0,0|2,0,0]=4 8007 B16R1.3900 O=C(O)C1CCSCN1CCCCCCF 269956a_100015185162_100015922095 [0,1,0,1,0,0|1,1,0]=4 8008 B16R1.3900 O=C(O)C1CCSCN1CCCCCCO 269956a_100015185162_100000766143 [0,1,0,1,0,0|2,0,0]=4 8009 B16R1.3900 O=C(O)C1CSCCN1CCCCCCF 269956a_100011346106_100015922095 [0,1,0,1,0,0|1,1,0]=4 8010 B16R1.3900 O=C(O)C1CSCCN1CCCCCCO 269956a_100011346106_100000766143 [0,1,0,1,0,0|2,0,0]=4 8011 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCF 269956a_100009816435_100000729378 [0,1,0,1,0,0|0,1,0]=3 8012 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCO 269956a_100009816435_100000746330 [0,1,0,1,0,0|1,0,0]=3 8013 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCOCCO 269956a_100009816435_100011215305 [0,1,0,1,0,0|2,0,0]=4 8014 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCF 269956a_100000763471_100015922095 [0,1,0,1,0,0|0,1,0]=3 8015 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCO 269956a_100000763471_100000766143 [0,1,0,1,0,0|1,0,0]=3 8016 B16R1.3900 O=C(O)[C@H]1COCCN1CCCCCCF 269956a_100016993156_100015922095 [0,1,0,1,0,0|1,1,0]=4 8017 B16R1.3900 O=C(O)[C@H]1COCCN1CCCCCCO 269956a_100016993156_100000766143 [0,1,0,1,0,0|2,0,0]=4 8018 B16R1.3900 O=CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000139337 [0,1,0,1,0,0|1,0,1]=4 8019 B16R1.3900 O=CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000139335 [0,1,0,1,0,0|1,0,1]=4 8020 B16R1.5450 C#CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000688953 [0,1,0,1,0,0|1,0,1]=4 8021 B16R1.5450 C=CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000754431 [0,1,0,1,0,0|1,0,1]=4 8022 B16R1.5450 CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210211 [0,1,0,1,0,0|1,0,0]=3 8023 B16R1.5450 CCOCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000739092 [0,1,0,1,0,0|2,0,0]=4 8024 B16R1.5450 COCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000233755 [0,1,0,1,0,0|2,0,0]=4 8025 B16R1.5450 CSCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000212216 [0,1,0,1,0,0|2,0,0]=4 8026 B16R1.5450 N#CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215226 [0,1,0,1,0,0|1,0,1]=4 8027 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCF 269956a_200049070474_100011934791 [0,1,0,1,0,0|0,1,0]=3 8028 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCO 269956a_200049070474_100011215043 [0,1,0,1,0,0|1,0,0]=3 8029 B16R1.6690 C#CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012276617 [0,1,0,1,0,0|1,0,1]=4 8030 B16R1.6690 C=CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215473 [0,1,0,1,0,0|1,0,1]=4 8031 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210759 [0,1,0,1,0,0|2,0,0]=4 8032 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210759 [0,1,0,1,0,0|1,0,0]=3 8033 B16R1.6690 CCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210759 [0,1,0,1,0,0|2,0,0]=4 8034 B16R1.6690 CCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210759 [0,1,0,1,0,0|2,0,0]=4 8035 B16R1.6690 COCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011998445 [0,1,0,1,0,0|2,0,0]=4 8036 B16R1.6690 N#CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009813337 [0,1,0,1,0,0|1,0,1]=4 8037 B16R1.6690 NC(=O)[C@@H]1CCCN1CCCCCCCO 2230a_100000003125_100000760002 [0,1,0,1,0,0|2,0,0]=4 8038 B16R1.6690 O=C(O)C1SCCN1CCCCCCCO 269956a_100000035718_100000760002 [0,1,0,1,0,0|2,0,0]=4 8039 B16R1.6690 O=C(O)[C@@H]1CCCN1CCCCCCCO 269956a_100000743916_100000760002 [0,1,0,1,0,0|1,0,0]=3 8040 B16R1.6690 O=C(O)[C@@H]1CSCN1CCCCCCCO 269956a_100000743924_100000760002 [0,1,0,1,0,0|2,0,0]=4 8041 B16R1.7037 C#CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100010269958 [0,1,0,1,0,0|1,0,1]=4 8042 B16R1.7037 C=CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215482 [0,1,0,1,0,0|1,0,1]=4 8043 B16R1.7037 CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210757 [0,1,0,1,0,0|1,0,0]=3 8044 B16R1.7037 CCCCOCN1CCCCCC1C(=O)O 269956a_100000758484_100011995733 [0,1,0,1,0,0|2,0,0]=4 8045 B16R1.7037 CCCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215938 [0,1,0,1,0,0|2,0,0]=4 8046 B16R1.7037 CCOCCCN1CCCCCC1C(=O)O 269956a_100000758484_100012232248 [0,1,0,1,0,0|2,0,0]=4 8047 B16R1.7037 COCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000730899 [0,1,0,1,0,0|2,0,0]=4 8048 B16R1.7037 N#CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011219923 [0,1,0,1,0,0|1,0,1]=4 8049 B16R1.7037 O=C(O)C1CCCCCN1CCCCCF 269956a_100000758484_100000729378 [0,1,0,1,0,0|0,1,0]=3 8050 B16R1.7037 O=C(O)C1CCCCCN1CCCCCO 269956a_100000758484_100000746330 [0,1,0,1,0,0|1,0,0]=3 8051 B16R1.7037 O=C(O)C1CCCCCN1CCOCCO 269956a_100000758484_100011215305 [0,1,0,1,0,0|2,0,0]=4 8052 B16R1.7037 O=CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000139335 [0,1,0,1,0,0|1,0,1]=4 8053 B16R1.12354 CC(=O)CCCCNC1CCCCCCC1 34a_100000211152_100009817362 [0,1,0,1,0,0|2,0,0]=4 8054 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 34a_100000210054_100009817362 [0,1,0,1,0,0|2,0,0]=4 8055 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 7a_100000210054_100000735457 [0,1,0,1,0,0|2,0,0]=4 8056 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000685027 [0,1,0,1,0,0|2,0,0]=4 8057 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100011215641 [0,1,0,1,0,0|2,0,0]=4 8058 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 2230a_100000211400_100009817443 [0,1,0,1,0,0|2,0,0]=4 8059 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 269982a_100000211400_100009817443 [0,1,0,1,0,0|2,0,0]=4 8060 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 34a_100000211400_100009817443 [0,1,0,1,0,0|2,0,0]=4 8061 B16R1.12354 NC(=O)CCCCNC1CCCCCCC1 270004a_100000696515_100000210524 [0,1,0,1,0,0|2,0,0]=4 8062 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100102525003 [0,1,0,1,0,0|2,0,0]=4 8063 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100102525003 [0,1,0,1,0,0|2,0,0]=4 8064 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 2230a_100011532352_100000744528 [0,1,0,1,0,0|2,0,0]=4 8065 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 34a_100011532352_100000731001 [0,1,0,1,0,0|2,0,0]=4 8066 B16R1.17455 BrCCCCCCCCCCOCC1CO1 34a_100009813290_102125554688 [0,1,0,1,0,0|1,0,1]=4 8067 B16R1.17455 BrCCCCCCCCCCOCC1CO1 7a_100009813290_102125554688 [0,1,0,1,0,0|1,0,1]=4 8068 B16R1.17455 BrCCCCCCCCCCOC[C@@H]1CO1 7a_100009813290_100000745022 [0,1,0,1,0,0|1,0,1]=4 8069 B16R1.17455 BrCCCCCCCCCOCCC1CO1 34a_100009813782_100000732470 [0,1,0,1,0,0|1,0,1]=4 8070 B16R1.17455 BrCCCCCCCCCOCCC1CO1 7a_100009813782_100000732470 [0,1,0,1,0,0|1,0,1]=4 8071 B16R1.17455 BrCCCCCCCCOCCCC1CO1 34a_100009813846_100000733510 [0,1,0,1,0,0|1,0,1]=4 8072 B16R1.17455 BrCCCCCCCCOCCCC1CO1 7a_100009813846_100000733510 [0,1,0,1,0,0|1,0,1]=4 8073 B16R1.17540 C#CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100153394163 [0,1,0,1,0,0|1,0,1]=4 8074 B16R1.17540 C=CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100012355270 [0,1,0,1,0,0|1,0,1]=4 8075 B16R1.17540 CCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210670 [0,1,0,1,0,0|1,0,0]=3 8076 B16R1.17540 O=C(O)C1CCN1CCCCCCCCO 269956a_100000021838_100000033203 [0,1,0,1,0,0|1,0,0]=3 8077 B16R1.18095 CC(=O)CCCCNCC1CCCCCC1 34a_100015204231_100009817362 [0,1,0,1,0,0|2,0,0]=4 8078 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 34a_100000699130_100009817362 [0,1,0,1,0,0|2,0,0]=4 8079 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 7a_100000699130_100000735457 [0,1,0,1,0,0|2,0,0]=4 8080 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_100000735457_200000696569 [0,1,0,1,0,0|2,0,0]=4 8081 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_200000696569_100000735457 [0,1,0,1,0,0|2,0,0]=4 8082 B16R1.18095 CC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000685027 [0,1,0,1,0,0|2,0,0]=4 8083 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 2230a_100000210984_100009817443 [0,1,0,1,0,0|2,0,0]=4 8084 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 34a_100000210984_100009817443 [0,1,0,1,0,0|2,0,0]=4 8085 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000123541_100011217769 [0,1,0,1,0,0|2,0,0]=4 8086 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000210887_100009817443 [0,1,0,1,0,0|2,0,0]=4 8087 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 7a_100000210887_100009817443 [0,1,0,1,0,0|2,0,0]=4 8088 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100009817443_100011217769 [0,1,0,1,0,0|2,0,0]=4 8089 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100011217769_100009817443 [0,1,0,1,0,0|2,0,0]=4 8090 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 269862a_100000696515_200000763224 [0,1,0,1,0,0|2,0,0]=4 8091 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 34a_100000696515_200000696569 [0,1,0,1,0,0|2,0,0]=4 8092 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 34a_100012022536_200000696569 [0,1,0,1,0,0|2,0,0]=4 8093 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 7a_100012022536_200000696569 [0,1,0,1,0,0|2,0,0]=4 8094 B16R1.18095 NC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100102525003 [0,1,0,1,0,0|2,0,0]=4 8095 B16R1.18095 O=C(O)COCCNCC1CCCCCC1 269956a_100000700818_200000696569 [0,1,0,1,0,0|2,0,0]=4 8096 B16R1.4617 CCCCCCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100011215978 [0,1,0,1,0,0|2,0,0]=4 8097 B16R1.1840 CCCCC(C)N1CCCCCC1C(=O)O 269956a_100000758484_200011215066 [0,1,0,1,0,0|2,0,0]=4 8098 B16R1.4493 CCCCC(C)N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200011215066 [0,1,0,1,0,0|2,0,0]=4 8099 B16R1.7619 CC(C)CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210312 [0,1,0,1,0,0|2,0,0]=4 8100 B16R1.7619 CC(O)CCN1CCCCC1CCC(=O)O 269956a_100000694054_100012276601 [0,1,0,1,0,0|2,0,0]=4 8101 B16R1.12294 CC(C)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210760 [0,1,0,1,0,0|2,0,0]=4 8102 B16R1.12294 CC(O)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011218427 [0,1,0,1,0,0|2,0,0]=4 8103 B16R1.12294 C[C@@H](O)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100009817552 [0,1,0,1,0,0|2,0,0]=4 8104 B16R1.12294 O=C(O)[C@H]1CCCCCC[C@H]1NCC(F)F 269956a_200049070474_100011934356 [0,1,0,1,0,0|1,1,0]=4 8105 B16R1.12322 CC(C)CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011216152 [0,1,0,1,0,0|2,0,0]=4 8106 B16R1.12322 CC(C)CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011214892 [0,1,0,1,0,0|2,0,0]=4 8107 B16R1.12322 CC(O)CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000718107 [0,1,0,1,0,0|2,0,0]=4 8108 B16R1.12379 CC(C)CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210682 [0,1,0,1,0,0|2,0,0]=4 8109 B16R1.12416 CC(C)CCCN1CCCCCC1C(=O)O 269956a_100000758484_100011214892 [0,1,0,1,0,0|2,0,0]=4 8110 B16R1.12416 CC(O)CCCN1CCCCCC1C(=O)O 269956a_100000758484_200000718107 [0,1,0,1,0,0|2,0,0]=4 8111 B16R1.1730 CCCCCC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200011218191 [0,1,0,1,0,0|2,0,0]=4 8112 B16R1.4413 CCC(C)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000748023 [0,1,0,1,0,0|2,0,0]=4 8113 B16R1.4413 CCC(O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100011218378 [0,1,0,1,0,0|2,0,0]=4 8114 B16R1.4413 CC[C@H](C)CN1CCCCC1CCC(=O)O 269956a_100000694054_100009816398 [0,1,0,1,0,0|2,0,0]=4 8115 B16R1.4413 C[C@@H](CO)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000059175 [0,1,0,1,0,0|2,0,0]=4 8116 B16R1.4413 O=C(O)CCC1CCCCN1CC(O)CO 269956a_100000694054_100011219619 [0,1,0,1,0,0|2,0,0]=4 8117 B16R1.4413 O=C(O)CCC1CCCCN1C[C@@H](O)CF 269956a_100000694054_100015614560 [0,1,0,1,0,0|1,1,0]=4 8118 B16R1.4413 O=C(O)CCC1CCCCN1C[C@@H](O)CO 269956a_100000694054_100009815848 [0,1,0,1,0,0|2,0,0]=4 8119 B16R1.78089 CCC(C)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000758301 [0,1,0,1,0,0|2,0,0]=4 8120 B16R1.78089 C[C@H](CO)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100016084084 [0,1,0,1,0,0|2,0,0]=4 8121 B16R1.63 CCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210759 [0,1,0,1,0,0|1,0,1]=4 8122 B16R1.63 O=C1CC[C@H](O1)C(=O)CCCCCCCO 1458a_100009814974_100000760002 [0,1,0,1,0,0|1,0,1]=4 8123 B16R1.241 CCCCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210757 [0,1,0,1,0,0|2,0,0]=4 8124 B16R1.241 O=C(O)C1CCC(CN1CCCCCF)O 269956a_100000089875_100000729378 [0,1,0,1,0,0|1,1,0]=4 8125 B16R1.241 O=C(O)C1CCC(CN1CCCCCO)O 269956a_100000089875_100000746330 [0,1,0,1,0,0|2,0,0]=4 8126 B16R1.608 CN(CCCC(=O)O)CCC1CCCCC1 269956a_100000719178_100011273959 [0,1,0,1,0,0|2,0,0]=4 8127 B16R1.12527 CN(CCCC(=O)O)CCCC1CCCC1 269956a_100000719178_100011713738 [0,1,0,1,0,0|2,0,0]=4 8128 B16R1.58008 CN(CCCC(=O)O)CC1CCCCCC1 269956a_100000719178_200000696569 [0,1,0,1,0,0|2,0,0]=4 8129 B16R2.3265 O=C(O)[C@@H]1CCCN1C2CCCCC2F 269956a_100000743916_100015423560 [0,0,0,2,0,0|1,1,0]=4 8130 B16R2.3265 O=C(O)[C@@H]1CCCN1C2CCCCC2O 269956a_100000743916_100000038908 [0,0,0,2,0,0|2,0,0]=4 8131 B16R2.87 O=C(O)[C@H]1CCCCN1C2CCCCC2 269956a_100000763471_100000210327 [0,0,0,2,0,0|2,0,0]=4 8132 B16R2.498 O=C(O)[C@@H]1CCCC[C@H]1NC2CCCC2 269956a_100009816435_100000179811 [0,0,0,2,0,0|2,0,0]=4 8133 B16R2.498 O=C(O)[C@H]1CCCCN1CC2CCCC2 269956a_100000763471_100000740388 [0,0,0,2,0,0|2,0,0]=4 8134 B16R2.498 O=C(O)[C@H]1CCCCN1CC2CCCO2 269956a_100000763471_100000183445 [0,0,0,2,0,0|2,0,0]=4 8135 B16R2.3033 O=C(O)[C@H]1CCCCN1[C@@H]2CCC[C@H]2O 269956a_100000763471_200016002552 [0,0,0,2,0,0|2,0,0]=4 8136 B16R2.27522 O=C(O)[C@@H]1CCCC[C@H]1NCCC2CC2 269956a_100009816435_100000694398 [0,0,0,2,0,0|2,0,0]=4 8137 B16R2.27522 O=C(O)[C@@H]1CCCC[C@H]1NCCC2CO2 269956a_100009816435_100000732470 [0,0,0,2,0,0|2,0,0]=4 8138 B16R2.27522 O=C(O)[C@H]1CCCCN1CCCC2CO2 269956a_100000763471_100000733510 [0,0,0,2,0,0|2,0,0]=4 8139 B16R2.27531 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCC2 269956a_100009816435_100000763275 [0,0,0,2,0,0|2,0,0]=4 8140 B16R2.27531 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCO2 269956a_100009816435_100000103362 [0,0,0,2,0,0|2,0,0]=4 8141 B16R2.496 O=C(O)C1CCCCCN1C2CCCC2 269956a_100000758484_100000179811 [0,0,0,2,0,0|2,0,0]=4 8142 B16R2.509 O=C(O)[C@@H]1CCCN1CCC2CCCC2 269956a_100000743916_100000760354 [0,0,0,2,0,0|2,0,0]=4 8143 B16R2.27491 O=C(O)C1CCN1CCCC2CCCC2 269956a_100000021838_100011713738 [0,0,0,2,0,0|2,0,0]=4 8144 B16R2.464 O=C(O)[C@@H]1CCCN1CC2CCCCC2 269956a_100000743916_100000211423 [0,0,0,2,0,0|2,0,0]=4 8145 B16R2.464 O=C(O)[C@@H]1CCCN1CC2CCCCO2 269956a_100000743916_100000211543 [0,0,0,2,0,0|2,0,0]=4 8146 B16R2.465 O=C(O)C1CCN1CCC2CCCCC2 269956a_100000021838_100011273959 [0,0,0,2,0,0|2,0,0]=4 8147 B16R2.6148 CCN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_100000210202 [0,0,0,2,0,0|2,0,0]=4 8148 B16R2.6148 O=C(O)C1CCC2CCCCC2N1CF 269956a_100000765686_100015361967 [0,0,0,2,0,0|1,1,0]=4 8149 B16R2.3529 CCCN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_100000210207 [0,0,0,2,0,0|2,0,0]=4 8150 B16R2.3529 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCF 269956a_100000703543_100011217306 [0,0,0,2,0,0|1,1,0]=4 8151 B16R2.3529 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCO 269956a_100000703543_100000211926 [0,0,0,2,0,0|2,0,0]=4 8152 B16R2.27269 O=C(O)CCC1CCCCN1CC2CC2 269956a_100000694054_100000742324 [0,0,0,2,0,0|2,0,0]=4 8153 B16R2.27269 O=C(O)CCC1CCCCN1CC2CO2 269956a_100000694054_102125554688 [0,0,0,2,0,0|2,0,0]=4 8154 B16R2.27269 O=C(O)CCC1CCCCN1CC2CS2 269956a_100000694054_100000031435 [0,0,0,2,0,0|2,0,0]=4 8155 B16R2.27269 O=C(O)CCC1CCCCN1C[C@@H]2CO2 269956a_100000694054_100000745022 [0,0,0,2,0,0|2,0,0]=4 8156 B16R2.143763 O=C(O)CCC1CCCCN1C2CCC2 269956a_100000694054_100000749161 [0,0,0,2,0,0|2,0,0]=4 8157 B16R2.874 CCCCN1[C@@H](C[C@H]2[C@@H]1CCC2)C(=O)O 269956a_100015758391_100000210211 [0,0,0,2,0,0|2,0,0]=4 8158 B16R2.874 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCF 269956a_100015758391_100011934791 [0,0,0,2,0,0|1,1,0]=4 8159 B16R2.874 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCO 269956a_100015758391_100011215043 [0,0,0,2,0,0|2,0,0]=4 8160 B16R2.27657 O=C(O)[C@@H]1CCCN1C2CCCCCC2 269956a_100000743916_100011217769 [0,0,0,2,0,0|2,0,0]=4 8161 B16R2.143009 O=C(O)C1CCCCCN1CCC2CC2 269956a_100000758484_100000694398 [0,0,0,2,0,0|2,0,0]=4 8162 B16R2.143009 O=C(O)C1CCCCCN1CCC2CO2 269956a_100000758484_100000732470 [0,0,0,2,0,0|2,0,0]=4 8163 B16R2.144912 O=C(O)C1CCCCCN1CC2CCC2 269956a_100000758484_100000763275 [0,0,0,2,0,0|2,0,0]=4 8164 B16R2.144912 O=C(O)C1CCCCCN1CC2CCO2 269956a_100000758484_100000103362 [0,0,0,2,0,0|2,0,0]=4 8165 B16R2.142887 O=C(O)[C@H]1CCCCCC[C@H]1NC2CC2 269956a_200049070474_100000211595 [0,0,0,2,0,0|2,0,0]=4 8166 B16R2.142995 O=C(O)C1CCN1CC2CCCCCC2 269956a_100000021838_200000696569 [0,0,0,2,0,0|2,0,0]=4