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|3,0,0]=3 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|3,0,0]=3 47 B14R0.394 C=C(C)CCNCCCCCCCCO 34a_102515433106_100000730704 [0,0,0,0,0,0|3,0,0]=3 48 B14R0.394 C=C(C)CCOCCCCCCCCBr 34a_100009813846_100000730704 [0,0,0,0,0,0|4,0,0]=4 49 B14R0.394 C=C(C)CCOCCCCCCCCBr 7a_100009813846_100000730704 [0,0,0,0,0,0|4,0,0]=4 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|4,0,0]=4 54 B14R0.394 C=C(C)CCOCCCCCCCCCl 7a_100000033203_100000730704 [0,0,0,0,0,0|4,0,0]=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|3,0,0]=3 57 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000033203_100000730704 [0,0,0,0,0,0|3,0,0]=3 58 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000730704_100000033203 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=3 62 B14R0.394 C=C(C)CNCCCCCCCCCO 34a_100000078944_100000748629 [0,0,0,0,0,0|3,0,0]=3 63 B14R0.394 C=C(C)COCCCCCCCCCBr 34a_100009813782_100000748629 [0,0,0,0,0,0|4,0,0]=4 64 B14R0.394 C=C(C)COCCCCCCCCCBr 7a_100009813782_100000748629 [0,0,0,0,0,0|4,0,0]=4 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|4,0,0]=4 69 B14R0.394 C=C(C)COCCCCCCCCCCl 7a_100009868337_100000748629 [0,0,0,0,0,0|4,0,0]=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|3,0,0]=3 72 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100000748629_100009813782 [0,0,0,0,0,0|3,0,0]=3 73 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100009813782_100000211660 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=3 77 B14R0.394 C=C(F)CNCCCCCCCCCO 34a_100000078944_100009893438 [0,0,0,0,0,0|3,0,0]=3 78 B14R0.394 C=C(F)COCCCCCCCCCBr 34a_100009813782_100009893438 [0,0,0,0,0,0|4,0,0]=4 79 B14R0.394 C=C(F)COCCCCCCCCCBr 7a_100009813782_100000042424 [0,0,0,0,0,0|4,0,0]=4 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|4,0,0]=4 84 B14R0.394 C=C(F)COCCCCCCCCCCl 7a_100009868337_100000042424 [0,0,0,0,0,0|4,0,0]=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|3,0,0]=3 87 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100000042424_100009813782 [0,0,0,0,0,0|3,0,0]=3 88 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100009813782_100000042424 [0,0,0,0,0,0|3,0,0]=3 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(=CCCNCCCCCCCO)C 2230a_100011996573_100011217483 [0,0,0,0,0,0|3,0,1]=4 145 B14R0.394 CC(=CCCNCCCCCCCO)C 34a_100011996573_100011217483 [0,0,0,0,0,0|3,0,1]=4 146 B14R0.394 CC(=CCCSCCCCCCCO)C 62a_100000760002_100011217483 [0,0,0,0,0,0|3,0,1]=4 147 B14R0.394 CC(=CCCSCCCCCCCO)C 62a_100011217483_100000760002 [0,0,0,0,0,0|3,0,1]=4 148 B14R0.394 CC(=CCNCCCCCCCCO)C 2230a_102515433106_100000761012 [0,0,0,0,0,0|3,0,1]=4 149 B14R0.394 CC(=CCNCCCCCCCCO)C 34a_100000718196_100000033203 [0,0,0,0,0,0|3,0,1]=4 150 B14R0.394 CC(=CCNCCCCCCCCO)C 34a_102515433106_100000761012 [0,0,0,0,0,0|3,0,1]=4 151 B14R0.394 CC(=CCOCCCCCCCCO)C 34a_100000753907_100000033203 [0,0,0,0,0,0|3,0,1]=4 152 B14R0.394 CC(=CCSCCCCCCCCO)C 62a_100000033203_100000761012 [0,0,0,0,0,0|3,0,1]=4 153 B14R0.394 CC(=CCSCCCCCCCCO)C 62a_100000761012_100000033203 [0,0,0,0,0,0|3,0,1]=4 154 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [0,0,0,0,0,0|1,0,0]=1 155 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [0,0,0,0,0,0|2,0,0]=2 156 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [0,0,0,0,0,0|3,0,0]=3 157 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [0,0,0,0,0,0|3,0,0]=3 158 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [0,0,0,0,0,0|3,0,0]=3 159 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [0,0,0,0,0,0|3,0,0]=3 160 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [0,0,0,0,0,0|3,0,0]=3 161 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [0,0,0,0,0,0|3,0,0]=3 162 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [0,0,0,0,0,0|3,0,0]=3 163 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100000735457_100009813376 [0,0,0,0,0,0|3,0,1]=4 164 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100009813376_100000735457 [0,0,0,0,0,0|3,0,1]=4 165 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000139337_100000735457 [0,0,0,0,0,0|2,0,2]=4 166 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000735457_100000139337 [0,0,0,0,0,0|2,0,2]=4 167 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [0,0,0,0,0,0|3,0,0]=3 168 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [0,0,0,0,0,0|3,0,0]=3 169 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [0,0,0,0,0,0|2,0,0]=2 170 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [0,0,0,0,0,0|2,0,0]=2 171 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [0,0,0,0,0,0|2,0,0]=2 172 B14R0.394 CC(=O)CCCNCCCOCCCO 34a_100011310245_100000685027 [0,0,0,0,0,0|3,0,0]=3 173 B14R0.394 CC(=O)CCCOCCCCCCC#N 7a_100000759063_100009813337 [0,0,0,0,0,0|3,0,1]=4 174 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [0,0,0,0,0,0|3,0,0]=3 175 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [0,0,0,0,0,0|3,0,0]=3 176 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [0,0,0,0,0,0|3,0,0]=3 177 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [0,0,0,0,0,0|2,0,0]=2 178 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [0,0,0,0,0,0|2,0,0]=2 179 B14R0.394 CC(=O)CCCOCCCOCCCN 34a_100011310245_100000685027 [0,0,0,0,0,0|4,0,0]=4 180 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100009813337_100011215641 [0,0,0,0,0,0|3,0,1]=4 181 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100011215641_100009813337 [0,0,0,0,0,0|3,0,1]=4 182 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [0,0,0,0,0,0|2,0,0]=2 183 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [0,0,0,0,0,0|2,0,0]=2 184 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [0,0,0,0,0,0|3,0,0]=3 185 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [0,0,0,0,0,0|3,0,0]=3 186 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [0,0,0,0,0,0|2,0,0]=2 187 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [0,0,0,0,0,0|2,0,0]=2 188 B14R0.394 CC(=O)CCOCCOCCOCCO 1458a_100000070787_100010166562 [0,0,0,0,0,0|4,0,0]=4 189 B14R0.394 CC(=O)CCOCCOCCOCCO 1458a_100010977405_200000210301 [0,0,0,0,0,0|4,0,0]=4 190 B14R0.394 CC(=O)CCOCCOCCOCCO 34a_100000759926_100000032323 [0,0,0,0,0,0|4,0,0]=4 191 B14R0.394 CC(=O)CCOCCOCCOCCO 7a_100000759926_100000032323 [0,0,0,0,0,0|4,0,0]=4 192 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [0,0,0,0,0,0|2,0,0]=2 193 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [0,0,0,0,0,0|2,0,0]=2 194 B14R0.394 CC(=O)CCSCCOCCOCCO 62a_100000032323_100000053229 [0,0,0,0,0,0|4,0,0]=4 195 B14R0.394 CC(=O)CCSCCOCCOCCO 62a_100000053229_100000032323 [0,0,0,0,0,0|4,0,0]=4 196 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [0,0,0,0,0,0|2,0,0]=2 197 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [0,0,0,0,0,0|2,0,0]=2 198 B14R0.394 CC(=O)NCCCCCCNCCCF 2230a_200011996284_100011934791 [0,0,0,0,0,0|4,0,0]=4 199 B14R0.394 CC(=O)NCCCCCCNCCCF 34a_200011996284_100011934791 [0,0,0,0,0,0|4,0,0]=4 200 B14R0.394 CC(=O)NCCCCCCNCCCO 2230a_200011996284_100000230001 [0,0,0,0,0,0|3,0,0]=3 201 B14R0.394 CC(=O)NCCCCCCNCCCO 34a_200011996284_100000230001 [0,0,0,0,0,0|3,0,0]=3 202 B14R0.394 CC(=O)NCCCCCNCCCCF 2230a_200012022750_100000729493 [0,0,0,0,0,0|4,0,0]=4 203 B14R0.394 CC(=O)NCCCCCNCCCCF 34a_200012022750_100000729493 [0,0,0,0,0,0|4,0,0]=4 204 B14R0.394 CC(=O)NCCCCCNCCCCO 2230a_200012022750_100000210776 [0,0,0,0,0,0|3,0,0]=3 205 B14R0.394 CC(=O)NCCCCCNCCCCO 34a_200012022750_100011216708 [0,0,0,0,0,0|3,0,0]=3 206 B14R0.394 CC(=O)NCCCCNCCCCCF 2230a_200011368371_100000729378 [0,0,0,0,0,0|4,0,0]=4 207 B14R0.394 CC(=O)NCCCCNCCCCCF 34a_200011368371_100000729378 [0,0,0,0,0,0|4,0,0]=4 208 B14R0.394 CC(=O)NCCCCNCCCCCO 2230a_200011368371_100000746330 [0,0,0,0,0,0|3,0,0]=3 209 B14R0.394 CC(=O)NCCCCNCCCCCO 34a_200011368371_100000746330 [0,0,0,0,0,0|3,0,0]=3 210 B14R0.394 CC(=O)NCCCCNCCOCCO 2230a_200011368371_100011215305 [0,0,0,0,0,0|4,0,0]=4 211 B14R0.394 CC(=O)NCCCCNCCOCCO 34a_200011368371_100000692535 [0,0,0,0,0,0|4,0,0]=4 212 B14R0.394 CC(=O)NCCCNCCCCCCF 34a_100000736810_100015922095 [0,0,0,0,0,0|4,0,0]=4 213 B14R0.394 CC(=O)NCCCNCCCCCCO 34a_100000736810_100000766143 [0,0,0,0,0,0|3,0,0]=3 214 B14R0.394 CC(=O)NCCCOCCCCCCF 34a_100000752032_100015922095 [0,0,0,0,0,0|4,0,0]=4 215 B14R0.394 CC(=O)NCCCOCCCCCCO 34a_100000752032_100000766143 [0,0,0,0,0,0|3,0,0]=3 216 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100000209853_100000760002 [0,0,0,0,0,0|3,0,0]=3 217 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100011996573_100000189650 [0,0,0,0,0,0|3,0,0]=3 218 B14R0.394 CC(=O)NCCNCCCOCCCO 2230a_100011310245_100000189650 [0,0,0,0,0,0|4,0,0]=4 219 B14R0.394 CC(=O)NCCOCCCCCCCBr 7a_100000760002_100000189650 [0,0,0,0,0,0|4,0,0]=4 220 B14R0.394 CC(=O)NCCOCCCCCCCO 34a_100000158858_100000760002 [0,0,0,0,0,0|3,0,0]=3 221 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000189650_100000760002 [0,0,0,0,0,0|3,0,0]=3 222 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000760002_100000189650 [0,0,0,0,0,0|3,0,0]=3 223 B14R0.394 CC(=O)OCCCCCNCCCCO 2230a_100000750430_100009813381 [0,0,0,0,0,0|3,0,0]=3 224 B14R0.394 CC(=O)OCCCCCNCCCCO 34a_100000750430_100000033007 [0,0,0,0,0,0|3,0,0]=3 225 B14R0.394 CC(=O)OCCCCCOCCCCBr 34a_100011216708_100000033007 [0,0,0,0,0,0|4,0,0]=4 226 B14R0.394 CC(=O)OCCCCCOCCCCCl 34a_100000210776_100000033007 [0,0,0,0,0,0|4,0,0]=4 227 B14R0.394 CC(=O)OCCCCCOCCCCCl 7a_100000210776_100000033007 [0,0,0,0,0,0|4,0,0]=4 228 B14R0.394 CC(=O)OCCCCCOCCCCF 34a_100011995726_100000033007 [0,0,0,0,0,0|4,0,0]=4 229 B14R0.394 CC(=O)OCCCCCOCCCCF 7a_100011995726_100000033007 [0,0,0,0,0,0|4,0,0]=4 230 B14R0.394 CC(=O)OCCCCCOCCCCI 34a_200012148704_100000033007 [0,0,0,0,0,0|4,0,0]=4 231 B14R0.394 CC(=O)OCCCCCOCCCCN 34a_100000750430_100000033007 [0,0,0,0,0,0|4,0,0]=4 232 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000033007_100000729493 [0,0,0,0,0,0|4,0,0]=4 233 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000729493_100000033007 [0,0,0,0,0,0|4,0,0]=4 234 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000033007_100000210776 [0,0,0,0,0,0|3,0,0]=3 235 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000210776_100000033007 [0,0,0,0,0,0|3,0,0]=3 236 B14R0.394 CC(=O)OCCCCNCCCCCO 34a_100000762737_100000033659 [0,0,0,0,0,0|3,0,0]=3 237 B14R0.394 CC(=O)OCCCCNCCOCCO 34a_100000211614_100000033659 [0,0,0,0,0,0|4,0,0]=4 238 B14R0.394 CC(=O)OCCCCOCCCCCBr 34a_100000746331_100000033659 [0,0,0,0,0,0|4,0,0]=4 239 B14R0.394 CC(=O)OCCCCOCCCCCBr 7a_100000746331_100000033659 [0,0,0,0,0,0|4,0,0]=4 240 B14R0.394 CC(=O)OCCCCOCCCCCCl 34a_100000746330_100000033659 [0,0,0,0,0,0|4,0,0]=4 241 B14R0.394 CC(=O)OCCCCOCCCCCCl 7a_100000746330_100000033659 [0,0,0,0,0,0|4,0,0]=4 242 B14R0.394 CC(=O)OCCCCOCCCCCF 34a_100000073216_100000729378 [0,0,0,0,0,0|4,0,0]=4 243 B14R0.394 CC(=O)OCCCCOCCCCCF 7a_100000073216_100000729378 [0,0,0,0,0,0|4,0,0]=4 244 B14R0.394 CC(=O)OCCCCOCCCCCI 34a_200012148887_100000033659 [0,0,0,0,0,0|4,0,0]=4 245 B14R0.394 CC(=O)OCCCCOCCCCCI 7a_200012148887_100000033659 [0,0,0,0,0,0|4,0,0]=4 246 B14R0.394 CC(=O)OCCCCOCCCCCN 34a_100000762737_100000033659 [0,0,0,0,0,0|4,0,0]=4 247 B14R0.394 CC(=O)OCCCCOCCCCCO 34a_100000073216_100000746330 [0,0,0,0,0,0|3,0,0]=3 248 B14R0.394 CC(=O)OCCCCOCCCCCO 7a_100000073216_100000746330 [0,0,0,0,0,0|3,0,0]=3 249 B14R0.394 CC(=O)OCCCCOCCOCCO 34a_100000073216_100000692535 [0,0,0,0,0,0|4,0,0]=4 250 B14R0.394 CC(=O)OCCCCOCCOCCO 7a_100000073216_100011215305 [0,0,0,0,0,0|4,0,0]=4 251 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000033659_100000729378 [0,0,0,0,0,0|4,0,0]=4 252 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000729378_100000033659 [0,0,0,0,0,0|4,0,0]=4 253 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000033659_100000746330 [0,0,0,0,0,0|3,0,0]=3 254 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000746330_100000033659 [0,0,0,0,0,0|3,0,0]=3 255 B14R0.394 CC(=O)OCCCCSCCOCCO 62a_100000033659_100011215305 [0,0,0,0,0,0|4,0,0]=4 256 B14R0.394 CC(=O)OCCCCSCCOCCO 62a_100011215305_100000033659 [0,0,0,0,0,0|4,0,0]=4 257 B14R0.394 CC(=O)OCCCNCCCCCCO 34a_100000686447_100000042594 [0,0,0,0,0,0|3,0,0]=3 258 B14R0.394 CC(=O)OCCCOCCCCCCBr 34a_100011215345_100000042594 [0,0,0,0,0,0|4,0,0]=4 259 B14R0.394 CC(=O)OCCCOCCCCCCBr 7a_100011215345_100000042594 [0,0,0,0,0,0|4,0,0]=4 260 B14R0.394 CC(=O)OCCCOCCCCCCCl 34a_100000766143_100000042594 [0,0,0,0,0,0|4,0,0]=4 261 B14R0.394 CC(=O)OCCCOCCCCCCCl 7a_100000766143_100000042594 [0,0,0,0,0,0|4,0,0]=4 262 B14R0.394 CC(=O)OCCCOCCCCCCF 34a_100000732779_100000042594 [0,0,0,0,0,0|4,0,0]=4 263 B14R0.394 CC(=O)OCCCOCCCCCCF 7a_100000732779_100000042594 [0,0,0,0,0,0|4,0,0]=4 264 B14R0.394 CC(=O)OCCCOCCCCCCN 34a_100000686447_100000042594 [0,0,0,0,0,0|4,0,0]=4 265 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100000042594_100015922095 [0,0,0,0,0,0|4,0,0]=4 266 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100015922095_100000042594 [0,0,0,0,0,0|4,0,0]=4 267 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000042594_100000766143 [0,0,0,0,0,0|3,0,0]=3 268 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000766143_100000042594 [0,0,0,0,0,0|3,0,0]=3 269 B14R0.394 CC(=O)OCCNCCCCCCCO 34a_100011996573_100009814007 [0,0,0,0,0,0|3,0,0]=3 270 B14R0.394 CC(=O)OCCNCCCOCCCO 34a_100011310245_100009814007 [0,0,0,0,0,0|4,0,0]=4 271 B14R0.394 CC(=O)OCCOCCCCCCCBr 34a_100000760002_100009814007 [0,0,0,0,0,0|4,0,0]=4 272 B14R0.394 CC(=O)OCCOCCCCCCCBr 7a_100000760002_100009814007 [0,0,0,0,0,0|4,0,0]=4 273 B14R0.394 CC(=O)OCCOCCCCCCCN 34a_100011996573_100009814007 [0,0,0,0,0,0|4,0,0]=4 274 B14R0.394 CC(=O)OCCOCCNCCCCO 2230a_100000750430_200000083610 [0,0,0,0,0,0|4,0,0]=4 275 B14R0.394 CC(=O)OCCOCCNCCCCO 34a_100000750430_200000083610 [0,0,0,0,0,0|4,0,0]=4 276 B14R0.394 CC(=O)OCCOCCSCCCCO 62a_100000210776_200000083610 [0,0,0,0,0,0|4,0,0]=4 277 B14R0.394 CC(=O)OCCOCCSCCCCO 62a_200000083610_100000210776 [0,0,0,0,0,0|4,0,0]=4 278 B14R0.394 CC(=O)OCCOCNCCCCCO 34a_100000762737_100000076355 [0,0,0,0,0,0|4,0,0]=4 279 B14R0.394 CC(=O)OCCOCSCCCCCO 62a_100000076355_100000746330 [0,0,0,0,0,0|4,0,0]=4 280 B14R0.394 CC(=O)OCCOCSCCCCCO 62a_100000746330_100000076355 [0,0,0,0,0,0|4,0,0]=4 281 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100000760002_100009814007 [0,0,0,0,0,0|3,0,0]=3 282 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100009814007_100000760002 [0,0,0,0,0,0|3,0,0]=3 283 B14R0.394 CC(=O)OCNCCCCCCCCO 34a_102515433106_100009813279 [0,0,0,0,0,0|3,0,0]=3 284 B14R0.394 CC(=O)OCOCCCCCCCCBr 34a_100009813846_100009813279 [0,0,0,0,0,0|4,0,0]=4 285 B14R0.394 CC(=O)OCOCCCCCCCCCl 34a_100000033203_100009813279 [0,0,0,0,0,0|4,0,0]=4 286 B14R0.394 CC(=O)OCOCCCCCCCCN 34a_102515433106_100009813279 [0,0,0,0,0,0|4,0,0]=4 287 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000033203_100000076356 [0,0,0,0,0,0|3,0,0]=3 288 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000076356_100000033203 [0,0,0,0,0,0|3,0,0]=3 289 B14R0.394 CC(=O)SCCCCNCCCCCO 2230a_100000762737_200010402107 [0,0,0,0,0,0|3,0,0]=3 290 B14R0.394 CC(=O)SCCCCNCCCCCO 34a_100000762737_200010402107 [0,0,0,0,0,0|3,0,0]=3 291 B14R0.394 CC(=O)SCCCCNCCOCCO 2230a_100000211614_200010402107 [0,0,0,0,0,0|4,0,0]=4 292 B14R0.394 CC(=O)SCCCCNCCOCCO 34a_100000211614_200010402107 [0,0,0,0,0,0|4,0,0]=4 293 B14R0.394 CC(=O)SCCCCNCCSCCO 2230a_100011219999_200010402107 [0,0,0,0,0,0|4,0,0]=4 294 B14R0.394 CC(=O)SCCCCOCCCCCBr 34a_100000746331_200010402107 [0,0,0,0,0,0|4,0,0]=4 295 B14R0.394 CC(=O)SCCCCOCCCCCBr 7a_100000746331_200010402107 [0,0,0,0,0,0|4,0,0]=4 296 B14R0.394 CC(=O)SCCCCOCCCCCCl 34a_100000746330_200010402107 [0,0,0,0,0,0|4,0,0]=4 297 B14R0.394 CC(=O)SCCCCOCCCCCCl 7a_100000746330_200010402107 [0,0,0,0,0,0|4,0,0]=4 298 B14R0.394 CC(=O)SCCCCOCCCCCI 34a_200012148887_200010402107 [0,0,0,0,0,0|4,0,0]=4 299 B14R0.394 CC(=O)SCCCCOCCCCCI 7a_200012148887_200010402107 [0,0,0,0,0,0|4,0,0]=4 300 B14R0.394 CC(=O)SCCCCOCCCCCN 34a_100000762737_200010402107 [0,0,0,0,0,0|4,0,0]=4 301 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_100000729378_200010402107 [0,0,0,0,0,0|4,0,0]=4 302 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_200010402107_100000729378 [0,0,0,0,0,0|4,0,0]=4 303 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_100000746330_200010402107 [0,0,0,0,0,0|3,0,0]=3 304 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_200010402107_100000746330 [0,0,0,0,0,0|3,0,0]=3 305 B14R0.394 CC(=O)SCCCCSCCOCCO 62a_100011215305_200010402107 [0,0,0,0,0,0|4,0,0]=4 306 B14R0.394 CC(=O)SCCCCSCCOCCO 62a_200010402107_100011215305 [0,0,0,0,0,0|4,0,0]=4 307 B14R0.394 CC(=O)SCCCNCCCCCCO 2230a_100000686447_100000038929 [0,0,0,0,0,0|3,0,0]=3 308 B14R0.394 CC(=O)SCCCNCCCCCCO 34a_100000686447_100000038929 [0,0,0,0,0,0|3,0,0]=3 309 B14R0.394 CC(=O)SCCCOCCCCCCBr 34a_100011215345_100000038929 [0,0,0,0,0,0|4,0,0]=4 310 B14R0.394 CC(=O)SCCCOCCCCCCBr 7a_100011215345_100000038929 [0,0,0,0,0,0|4,0,0]=4 311 B14R0.394 CC(=O)SCCCOCCCCCCCl 34a_100000766143_100000038929 [0,0,0,0,0,0|4,0,0]=4 312 B14R0.394 CC(=O)SCCCOCCCCCCCl 7a_100000766143_100000038929 [0,0,0,0,0,0|4,0,0]=4 313 B14R0.394 CC(=O)SCCCOCCCCCCF 34a_100000732779_100000038929 [0,0,0,0,0,0|4,0,0]=4 314 B14R0.394 CC(=O)SCCCOCCCCCCF 7a_100000732779_100000038929 [0,0,0,0,0,0|4,0,0]=4 315 B14R0.394 CC(=O)SCCCOCCCCCCN 34a_100000686447_100000038929 [0,0,0,0,0,0|4,0,0]=4 316 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100000038929_100015922095 [0,0,0,0,0,0|4,0,0]=4 317 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100015922095_100000038929 [0,0,0,0,0,0|4,0,0]=4 318 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000038929_100000766143 [0,0,0,0,0,0|3,0,0]=3 319 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000766143_100000038929 [0,0,0,0,0,0|3,0,0]=3 320 B14R0.394 CC(=S)OCCCNCCCCCCO 2230a_100000686447_200135323944 [0,0,0,0,0,0|3,1,0]=4 321 B14R0.394 CC(=S)OCCCNCCCCCCO 34a_100000686447_200135323944 [0,0,0,0,0,0|3,1,0]=4 322 B14R0.394 CC(=S)OCCCSCCCCCCO 62a_100000766143_200135323944 [0,0,0,0,0,0|3,1,0]=4 323 B14R0.394 CC(=S)OCCCSCCCCCCO 62a_200135323944_100000766143 [0,0,0,0,0,0|3,1,0]=4 324 B14R0.394 CC(Br)CCOCCCCCCCCO 34a_100009893172_100000033203 [0,0,0,0,0,0|3,0,1]=4 325 B14R0.394 CC(Br)COCCCCCCCCCO 34a_100012180447_100009813782 [0,0,0,0,0,0|3,0,1]=4 326 B14R0.394 CC(C)CCCCCCCOCCCO 34a_200000210741_100000230001 [0,0,0,0,0,0|3,0,1]=4 327 B14R0.394 CC(C)CCCCCCCOCCCO 7a_200000210741_100011215043 [0,0,0,0,0,0|3,0,1]=4 328 B14R0.394 CC(C)CCCCCCNCCCCO 2230a_100000211014_100000210776 [0,0,0,0,0,0|3,0,1]=4 329 B14R0.394 CC(C)CCCCCCNCCCCO 34a_100000211014_100011216708 [0,0,0,0,0,0|3,0,1]=4 330 B14R0.394 CC(C)CCCCCNCCCCCO 2230a_100000762737_100000210682 [0,0,0,0,0,0|3,0,1]=4 331 B14R0.394 CC(C)CCCCCNCCCCCO 2230a_100011290863_100000746330 [0,0,0,0,0,0|3,0,1]=4 332 B14R0.394 CC(C)CCCCCNCCCCCO 34a_100000762737_100000210682 [0,0,0,0,0,0|3,0,1]=4 333 B14R0.394 CC(C)CCCCCNCCCCCO 34a_100011290863_100000746330 [0,0,0,0,0,0|3,0,1]=4 334 B14R0.394 CC(C)CCCCCOCCCCCO 34a_100011995859_100000746330 [0,0,0,0,0,0|3,0,1]=4 335 B14R0.394 CC(C)CCCCCOCCCCCO 7a_100011995859_100000746330 [0,0,0,0,0,0|3,0,1]=4 336 B14R0.394 CC(C)CCCCCSCCCCCO 62a_100000210682_100000746330 [0,0,0,0,0,0|3,0,1]=4 337 B14R0.394 CC(C)CCCCCSCCCCCO 62a_100000746330_100000210682 [0,0,0,0,0,0|3,0,1]=4 338 B14R0.394 CC(C)CCCCNCCCCCCO 2230a_100000686447_100011216152 [0,0,0,0,0,0|3,0,1]=4 339 B14R0.394 CC(C)CCCCNCCCCCCO 34a_100000686447_100011216152 [0,0,0,0,0,0|3,0,1]=4 340 B14R0.394 CC(C)CCCCOCCCCCCO 34a_100011214890_100000766143 [0,0,0,0,0,0|3,0,1]=4 341 B14R0.394 CC(C)CCCCOCCCCCCO 7a_100011214890_100000766143 [0,0,0,0,0,0|3,0,1]=4 342 B14R0.394 CC(C)CCCCSCCCCCCO 62a_100000766143_100011216152 [0,0,0,0,0,0|3,0,1]=4 343 B14R0.394 CC(C)CCCCSCCCCCCO 62a_100011216152_100000766143 [0,0,0,0,0,0|3,0,1]=4 344 B14R0.394 CC(C)CCCNCCCCCCCO 2230a_100011996573_100011214892 [0,0,0,0,0,0|3,0,1]=4 345 B14R0.394 CC(C)CCCNCCCCCCCO 2230a_200000737386_100000760002 [0,0,0,0,0,0|3,0,1]=4 346 B14R0.394 CC(C)CCCNCCCCCCCO 34a_100011996573_100011214892 [0,0,0,0,0,0|3,0,1]=4 347 B14R0.394 CC(C)CCCNCCCCCCCO 34a_200000737386_100000760002 [0,0,0,0,0,0|3,0,1]=4 348 B14R0.394 CC(C)CCCOCCCCCCCO 34a_100000210774_100000760002 [0,0,0,0,0,0|3,0,1]=4 349 B14R0.394 CC(C)CCCOCCCCCCCO 7a_100000210774_100000760002 [0,0,0,0,0,0|3,0,1]=4 350 B14R0.394 CC(C)CCCSCCCCCCCO 62a_100000760002_100011214892 [0,0,0,0,0,0|3,0,1]=4 351 B14R0.394 CC(C)CCCSCCCCCCCO 62a_100011214892_100000760002 [0,0,0,0,0,0|3,0,1]=4 352 B14R0.394 CC(C)CCNCCCCCCCCO 2230a_102515433106_100000210312 [0,0,0,0,0,0|3,0,1]=4 353 B14R0.394 CC(C)CCNCCCCCCCCO 269862a_102515433106_100000185833 [0,0,0,0,0,0|3,0,1]=4 354 B14R0.394 CC(C)CCNCCCCCCCCO 34a_102515433106_100000210312 [0,0,0,0,0,0|3,0,1]=4 355 B14R0.394 CC(C)CCOCCCCCCCCO 34a_100000210254_100000033203 [0,0,0,0,0,0|3,0,1]=4 356 B14R0.394 CC(C)CCOCCCCCCCCO 7a_100000210254_100000033203 [0,0,0,0,0,0|3,0,1]=4 357 B14R0.394 CC(C)CCSCCCCCCCCO 62a_100000033203_100000210312 [0,0,0,0,0,0|3,0,1]=4 358 B14R0.394 CC(C)CCSCCCCCCCCO 62a_100000210312_100000033203 [0,0,0,0,0,0|3,0,1]=4 359 B14R0.394 CC(C)CNCCCCCCCCCO 2230a_100000078944_100000210760 [0,0,0,0,0,0|3,0,1]=4 360 B14R0.394 CC(C)CNCCCCCCCCCO 2230a_100000210953_100009813782 [0,0,0,0,0,0|3,0,1]=4 361 B14R0.394 CC(C)CNCCCCCCCCCO 270004a_100000078944_100000210432 [0,0,0,0,0,0|3,0,1]=4 362 B14R0.394 CC(C)CNCCCCCCCCCO 34a_100000078944_100000210624 [0,0,0,0,0,0|3,0,1]=4 363 B14R0.394 CC(C)CNCCCCCCCCCO 34a_100000210953_100009813782 [0,0,0,0,0,0|3,0,1]=4 364 B14R0.394 CC(C)COCCCCCCCCCO 34a_100000210257_100009813782 [0,0,0,0,0,0|3,0,1]=4 365 B14R0.394 CC(C)CSCCCCCCCCCO 62a_100000210624_100009813782 [0,0,0,0,0,0|3,0,1]=4 366 B14R0.394 CC(C)CSCCCCCCCCCO 62a_100009813782_100000210760 [0,0,0,0,0,0|3,0,1]=4 367 B14R0.394 CC(C)NCCCCCCCCCCO 2230a_100000066964_100000210206 [0,0,0,0,0,0|3,0,1]=4 368 B14R0.394 CC(C)NCCCCCCCCCCO 2230a_100138425928_100009813290 [0,0,0,0,0,0|3,0,1]=4 369 B14R0.394 CC(C)NCCCCCCCCCCO 34a_100000066964_100000210206 [0,0,0,0,0,0|3,0,1]=4 370 B14R0.394 CC(C)NCCCCCCCCCCO 34a_100138425928_100009813290 [0,0,0,0,0,0|3,0,1]=4 371 B14R0.394 CC(C)OCCCCCCCCCCO 34a_100000212225_100009813290 [0,0,0,0,0,0|3,0,1]=4 372 B14R0.394 CC(C)SCCCCCCCCCCO 62a_100000210206_200000033068 [0,0,0,0,0,0|3,0,1]=4 373 B14R0.394 CC(C)SCCCCCCCCCCO 62a_100009813290_100000210206 [0,0,0,0,0,0|3,0,1]=4 374 B14R0.394 CC(F)COCCCCCCCCCO 34a_100015925927_100009813782 [0,0,0,0,0,0|3,0,1]=4 375 B14R0.394 CC(O)CCCNCCCCCCCO 2230a_100011996573_200000718107 [0,0,0,0,0,0|2,0,1]=3 376 B14R0.394 CC(O)CCCNCCCCCCCO 34a_100011996573_200000718107 [0,0,0,0,0,0|2,0,1]=3 377 B14R0.394 CC(O)CCCNCCCOCCCO 2230a_100011310245_200000718107 [0,0,0,0,0,0|3,0,1]=4 378 B14R0.394 CC(O)CCCNCCCOCCCO 34a_100011310245_200000718107 [0,0,0,0,0,0|3,0,1]=4 379 B14R0.394 CC(O)CCCOCCCCCCCBr 34a_100000760002_200000718107 [0,0,0,0,0,0|3,0,1]=4 380 B14R0.394 CC(O)CCCOCCCCCCCBr 7a_100000760002_200000718107 [0,0,0,0,0,0|3,0,1]=4 381 B14R0.394 CC(O)CCCOCCCCCCCN 34a_100011996573_200000718107 [0,0,0,0,0,0|3,0,1]=4 382 B14R0.394 CC(O)CCCSCCCCCCCO 62a_100000760002_200000718107 [0,0,0,0,0,0|2,0,1]=3 383 B14R0.394 CC(O)CCCSCCCCCCCO 62a_200000718107_100000760002 [0,0,0,0,0,0|2,0,1]=3 384 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_102515433106_100012276601 [0,0,0,0,0,0|2,0,1]=3 385 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_200000755665_100000033203 [0,0,0,0,0,0|2,0,1]=3 386 B14R0.394 CC(O)CCNCCCCCCCCO 34a_102515433106_100012276601 [0,0,0,0,0,0|2,0,1]=3 387 B14R0.394 CC(O)CCOCCCCCCCCBr 34a_100009813846_100012276601 [0,0,0,0,0,0|3,0,1]=4 388 B14R0.394 CC(O)CCOCCCCCCCCBr 7a_100009813846_100012276601 [0,0,0,0,0,0|3,0,1]=4 389 B14R0.394 CC(O)CCOCCCCCCCCCl 34a_100000033203_100012276601 [0,0,0,0,0,0|3,0,1]=4 390 B14R0.394 CC(O)CCOCCCCCCCCCl 7a_100000033203_100012276601 [0,0,0,0,0,0|3,0,1]=4 391 B14R0.394 CC(O)CCOCCCCCCCCN 34a_102515433106_100012276601 [0,0,0,0,0,0|3,0,1]=4 392 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100000033203_100012276601 [0,0,0,0,0,0|2,0,1]=3 393 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100012276601_100000033203 [0,0,0,0,0,0|2,0,1]=3 394 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000078944_100011218427 [0,0,0,0,0,0|2,0,1]=3 395 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000210904_100009813782 [0,0,0,0,0,0|2,0,1]=3 396 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000078944_100011218427 [0,0,0,0,0,0|2,0,1]=3 397 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000210904_100009813782 [0,0,0,0,0,0|2,0,1]=3 398 B14R0.394 CC(O)COCCCCCCCCCBr 34a_100009813782_100011218427 [0,0,0,0,0,0|3,0,1]=4 399 B14R0.394 CC(O)COCCCCCCCCCBr 7a_100009813782_100011218427 [0,0,0,0,0,0|3,0,1]=4 400 B14R0.394 CC(O)COCCCCCCCCCCl 34a_100009868337_100011218427 [0,0,0,0,0,0|3,0,1]=4 401 B14R0.394 CC(O)COCCCCCCCCCCl 7a_100009868337_100011218427 [0,0,0,0,0,0|3,0,1]=4 402 B14R0.394 CC(O)COCCCCCCCCCN 34a_100000078944_100011218427 [0,0,0,0,0,0|3,0,1]=4 403 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100009813782_100011218427 [0,0,0,0,0,0|2,0,1]=3 404 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100011218427_100009813782 [0,0,0,0,0,0|2,0,1]=3 405 B14R0.394 CCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000036426 [0,0,0,0,0,0|2,0,2]=4 406 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [0,0,0,0,0,0|2,0,2]=4 407 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [0,0,0,0,0,0|2,0,0]=2 408 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [0,0,0,0,0,0|2,0,0]=2 409 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [0,0,0,0,0,0|2,0,0]=2 410 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100000227908_200000210301 [0,0,0,0,0,0|4,0,0]=4 411 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100102631434_100011215052 [0,0,0,0,0,0|4,0,0]=4 412 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100000227908_200000210301 [0,0,0,0,0,0|4,0,0]=4 413 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100102631434_100000759014 [0,0,0,0,0,0|4,0,0]=4 414 B14R0.394 CCCCCCCCCCCCN(C)C 270004a_100102631434_100011218549 [0,0,0,0,0,0|4,0,0]=4 415 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 2230a_100000227908_200025704644 [0,0,0,0,0,0|4,0,0]=4 416 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 269982a_100000227908_200025704644 [0,0,0,0,0,0|4,0,0]=4 417 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [0,0,0,0,0,0|3,0,0]=3 418 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [0,0,0,0,0,0|3,0,0]=3 419 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [0,0,0,0,0,0|3,0,0]=3 420 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [0,0,0,0,0,0|3,0,0]=3 421 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [0,0,0,0,0,0|3,0,0]=3 422 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [0,0,0,0,0,0|3,0,0]=3 423 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [0,0,0,0,0,0|3,0,0]=3 424 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,0,0,0,0,0|2,0,0]=2 425 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [0,0,0,0,0,0|2,0,1]=3 426 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [0,0,0,0,0,0|3,0,1]=4 427 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [0,0,0,0,0,0|3,0,1]=4 428 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [0,0,0,0,0,0|3,0,1]=4 429 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [0,0,0,0,0,0|3,0,1]=4 430 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [0,0,0,0,0,0|3,0,1]=4 431 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [0,0,0,0,0,0|3,0,1]=4 432 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [0,0,0,0,0,0|3,0,1]=4 433 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [0,0,0,0,0,0|3,0,0]=3 434 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [0,0,0,0,0,0|3,0,0]=3 435 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [0,0,0,0,0,0|3,0,0]=3 436 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [0,0,0,0,0,0|2,0,1]=3 437 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [0,0,0,0,0,0|3,0,1]=4 438 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [0,0,0,0,0,0|3,0,1]=4 439 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [0,0,0,0,0,0|3,0,1]=4 440 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [0,0,0,0,0,0|3,0,1]=4 441 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [0,0,0,0,0,0|3,0,1]=4 442 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [0,0,0,0,0,0|3,0,0]=3 443 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [0,0,0,0,0,0|2,0,1]=3 444 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [0,0,0,0,0,0|3,0,1]=4 445 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [0,0,0,0,0,0|3,0,1]=4 446 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [0,0,0,0,0,0|3,0,0]=3 447 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [0,0,0,0,0,0|3,0,0]=3 448 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [0,0,0,0,0,0|3,0,1]=4 449 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [0,0,0,0,0,0|3,0,1]=4 450 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [0,0,0,0,0,0|3,0,1]=4 451 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [0,0,0,0,0,0|4,0,0]=4 452 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,0,0,0,0,0|3,0,0]=3 453 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [0,0,0,0,0,0|3,0,0]=3 454 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [0,0,0,0,0,0|3,0,0]=3 455 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [0,0,0,0,0,0|3,0,0]=3 456 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [0,0,0,0,0,0|3,0,0]=3 457 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [0,0,0,0,0,0|3,0,0]=3 458 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [0,0,0,0,0,0|3,0,0]=3 459 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [0,0,0,0,0,0|3,0,0]=3 460 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [0,0,0,0,0,0|3,0,1]=4 461 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [0,0,0,0,0,0|3,0,1]=4 462 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [0,0,0,0,0,0|4,0,0]=4 463 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [0,0,0,0,0,0|3,0,0]=3 464 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [0,0,0,0,0,0|3,0,0]=3 465 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [0,0,0,0,0,0|3,0,1]=4 466 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [0,0,0,0,0,0|4,0,0]=4 467 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [0,0,0,0,0,0|3,0,0]=3 468 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [0,0,0,0,0,0|3,0,0]=3 469 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [0,0,0,0,0,0|3,0,0]=3 470 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [0,0,0,0,0,0|3,0,1]=4 471 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [0,0,0,0,0,0|3,0,1]=4 472 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [0,0,0,0,0,0|4,0,0]=4 473 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [0,0,0,0,0,0|4,0,0]=4 474 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [0,0,0,0,0,0|4,0,0]=4 475 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [0,0,0,0,0,0|4,0,0]=4 476 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [0,0,0,0,0,0|4,0,0]=4 477 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [0,0,0,0,0,0|4,0,0]=4 478 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [0,0,0,0,0,0|4,0,0]=4 479 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [0,0,0,0,0,0|3,0,0]=3 480 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [0,0,0,0,0,0|3,0,0]=3 481 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [0,0,0,0,0,0|3,0,0]=3 482 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [0,0,0,0,0,0|3,0,0]=3 483 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [0,0,0,0,0,0|3,0,0]=3 484 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [0,0,0,0,0,0|3,0,0]=3 485 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [0,0,0,0,0,0|3,0,1]=4 486 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [0,0,0,0,0,0|3,0,1]=4 487 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [0,0,0,0,0,0|3,0,1]=4 488 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [0,0,0,0,0,0|4,0,0]=4 489 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [0,0,0,0,0,0|4,0,0]=4 490 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [0,0,0,0,0,0|4,0,0]=4 491 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [0,0,0,0,0,0|4,0,0]=4 492 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [0,0,0,0,0,0|4,0,0]=4 493 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [0,0,0,0,0,0|4,0,0]=4 494 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [0,0,0,0,0,0|4,0,0]=4 495 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [0,0,0,0,0,0|4,0,0]=4 496 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [0,0,0,0,0,0|4,0,0]=4 497 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [0,0,0,0,0,0|3,0,0]=3 498 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [0,0,0,0,0,0|3,0,0]=3 499 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [0,0,0,0,0,0|3,0,0]=3 500 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [0,0,0,0,0,0|3,0,0]=3 501 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [0,0,0,0,0,0|3,0,1]=4 502 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [0,0,0,0,0,0|3,0,1]=4 503 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [0,0,0,0,0,0|4,0,0]=4 504 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [0,0,0,0,0,0|4,0,0]=4 505 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [0,0,0,0,0,0|4,0,0]=4 506 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [0,0,0,0,0,0|4,0,0]=4 507 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [0,0,0,0,0,0|4,0,0]=4 508 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [0,0,0,0,0,0|4,0,0]=4 509 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [0,0,0,0,0,0|4,0,0]=4 510 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [0,0,0,0,0,0|4,0,0]=4 511 B14R0.394 CCCCCCCNCCCCB(O)O 2230a_100000229938_200009817182 [0,0,0,0,0,0|3,0,1]=4 512 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [0,0,0,0,0,0|3,0,0]=3 513 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [0,0,0,0,0,0|4,0,0]=4 514 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [0,0,0,0,0,0|4,0,0]=4 515 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [0,0,0,0,0,0|4,0,0]=4 516 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,0,0,0,0,0|3,0,0]=3 517 B14R0.394 CCCCCCCOCCCCB(O)O 34a_100000210272_200009817182 [0,0,0,0,0,0|3,0,1]=4 518 B14R0.394 CCCCCCCOCCCCB(O)O 7a_100000210272_200009817182 [0,0,0,0,0,0|3,0,1]=4 519 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [0,0,0,0,0,0|3,0,0]=3 520 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [0,0,0,0,0,0|3,0,0]=3 521 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [0,0,0,0,0,0|3,0,0]=3 522 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [0,0,0,0,0,0|3,0,0]=3 523 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [0,0,0,0,0,0|3,0,1]=4 524 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [0,0,0,0,0,0|3,0,1]=4 525 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [0,0,0,0,0,0|4,0,0]=4 526 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [0,0,0,0,0,0|4,0,0]=4 527 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [0,0,0,0,0,0|4,0,0]=4 528 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [0,0,0,0,0,0|4,0,0]=4 529 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [0,0,0,0,0,0|4,0,0]=4 530 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [0,0,0,0,0,0|4,0,0]=4 531 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [0,0,0,0,0,0|4,0,0]=4 532 B14R0.394 CCCCCCCSCCCCB(O)O 62a_100000210614_200009817182 [0,0,0,0,0,0|3,0,1]=4 533 B14R0.394 CCCCCCCSCCCCB(O)O 62a_200009817182_100000210316 [0,0,0,0,0,0|3,0,1]=4 534 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [0,0,0,0,0,0|3,0,0]=3 535 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [0,0,0,0,0,0|3,0,0]=3 536 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [0,0,0,0,0,0|4,0,0]=4 537 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [0,0,0,0,0,0|4,0,0]=4 538 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [0,0,0,0,0,0|4,0,0]=4 539 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [0,0,0,0,0,0|4,0,0]=4 540 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [0,0,0,0,0,0|4,0,0]=4 541 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [0,0,0,0,0,0|4,0,0]=4 542 B14R0.394 CCCCCCNCCCCCB(O)O 2230a_100000210581_200009817188 [0,0,0,0,0,0|3,0,1]=4 543 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [0,0,0,0,0,0|3,0,0]=3 544 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [0,0,0,0,0,0|4,0,0]=4 545 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [0,0,0,0,0,0|4,0,0]=4 546 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [0,0,0,0,0,0|4,0,0]=4 547 B14R0.394 CCCCCCOCCCCCB(O)O 34a_100000210259_200009817188 [0,0,0,0,0,0|3,0,1]=4 548 B14R0.394 CCCCCCOCCCCCB(O)O 7a_100000210259_200009817188 [0,0,0,0,0,0|3,0,1]=4 549 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [0,0,0,0,0,0|3,0,0]=3 550 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [0,0,0,0,0,0|3,0,0]=3 551 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [0,0,0,0,0,0|3,0,0]=3 552 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [0,0,0,0,0,0|3,0,0]=3 553 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [0,0,0,0,0,0|2,0,1]=3 554 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [0,0,0,0,0,0|4,0,0]=4 555 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [0,0,0,0,0,0|4,0,0]=4 556 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [0,0,0,0,0,0|4,0,0]=4 557 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [0,0,0,0,0,0|4,0,0]=4 558 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [0,0,0,0,0,0|4,0,0]=4 559 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [0,0,0,0,0,0|4,0,0]=4 560 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [0,0,0,0,0,0|4,0,0]=4 561 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [0,0,0,0,0,0|4,0,0]=4 562 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [0,0,0,0,0,0|4,0,0]=4 563 B14R0.394 CCCCCCSCCCCCB(O)O 62a_100000210314_200009817188 [0,0,0,0,0,0|3,0,1]=4 564 B14R0.394 CCCCCCSCCCCCB(O)O 62a_200009817188_100000210757 [0,0,0,0,0,0|3,0,1]=4 565 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [0,0,0,0,0,0|3,0,0]=3 566 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [0,0,0,0,0,0|3,0,0]=3 567 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [0,0,0,0,0,0|4,0,0]=4 568 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [0,0,0,0,0,0|4,0,0]=4 569 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [0,0,0,0,0,0|4,0,0]=4 570 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [0,0,0,0,0,0|4,0,0]=4 571 B14R0.394 CCCCCNCCCCCCB(O)O 2230a_100000209983_100009817187 [0,0,0,0,0,0|3,0,1]=4 572 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [0,0,0,0,0,0|4,0,0]=4 573 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [0,0,0,0,0,0|4,0,0]=4 574 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [0,0,0,0,0,0|4,0,0]=4 575 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [0,0,0,0,0,0|4,0,0]=4 576 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [0,0,0,0,0,0|4,0,0]=4 577 B14R0.394 CCCCCOCCCCCCB(O)O 34a_100000210253_100009817187 [0,0,0,0,0,0|3,0,1]=4 578 B14R0.394 CCCCCOCCCCCCB(O)O 7a_100000210253_100009817187 [0,0,0,0,0,0|3,0,1]=4 579 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [0,0,0,0,0,0|4,0,0]=4 580 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [0,0,0,0,0,0|4,0,0]=4 581 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [0,0,0,0,0,0|4,0,0]=4 582 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [0,0,0,0,0,0|4,0,0]=4 583 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [0,0,0,0,0,0|4,0,0]=4 584 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [0,0,0,0,0,0|4,0,0]=4 585 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100000210326_100009817187 [0,0,0,0,0,0|3,0,1]=4 586 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100009817187_100000210326 [0,0,0,0,0,0|3,0,1]=4 587 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [0,0,0,0,0,0|4,0,0]=4 588 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [0,0,0,0,0,0|4,0,0]=4 589 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [0,0,0,0,0,0|4,0,0]=4 590 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [0,0,0,0,0,0|4,0,0]=4 591 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [0,0,0,0,0,0|4,0,0]=4 592 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [0,0,0,0,0,0|4,0,0]=4 593 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [0,0,0,0,0,0|4,0,0]=4 594 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [0,0,0,0,0,0|4,0,0]=4 595 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [0,0,0,0,0,0|4,0,0]=4 596 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [0,0,0,0,0,0|4,0,0]=4 597 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [0,0,0,0,0,0|4,0,0]=4 598 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [0,0,0,0,0,0|4,0,0]=4 599 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [0,0,0,0,0,0|4,0,0]=4 600 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [0,0,0,0,0,0|4,0,0]=4 601 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [0,0,0,0,0,0|4,0,0]=4 602 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [0,0,0,0,0,0|4,0,0]=4 603 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [0,0,0,0,0,0|4,0,0]=4 604 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [0,0,0,0,0,0|4,0,0]=4 605 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [0,0,0,0,0,0|4,0,0]=4 606 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [0,0,0,0,0,0|4,0,0]=4 607 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [0,0,0,0,0,0|4,0,0]=4 608 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [0,0,0,0,0,0|4,0,0]=4 609 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [0,0,0,0,0,0|4,0,0]=4 610 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [0,0,0,0,0,0|4,0,0]=4 611 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [0,0,0,0,0,0|4,0,0]=4 612 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [0,0,0,0,0,0|4,0,0]=4 613 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [0,0,0,0,0,0|4,0,0]=4 614 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [0,0,0,0,0,0|4,0,0]=4 615 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [0,0,0,0,0,0|4,0,0]=4 616 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [0,0,0,0,0,0|4,0,0]=4 617 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [0,0,0,0,0,0|4,0,0]=4 618 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [0,0,0,0,0,0|4,0,0]=4 619 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [0,0,0,0,0,0|4,0,0]=4 620 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [0,0,0,0,0,0|4,0,0]=4 621 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [0,0,0,0,0,0|4,0,0]=4 622 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [0,0,0,0,0,0|3,0,1]=4 623 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [0,0,0,0,0,0|4,0,0]=4 624 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [0,0,0,0,0,0|4,0,0]=4 625 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [0,0,0,0,0,0|4,0,0]=4 626 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [0,0,0,0,0,0|4,0,0]=4 627 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [0,0,0,0,0,0|4,0,0]=4 628 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [0,0,0,0,0,0|4,0,0]=4 629 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [0,0,0,0,0,0|4,0,0]=4 630 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [0,0,0,0,0,0|4,0,0]=4 631 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [0,0,0,0,0,0|4,0,0]=4 632 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [0,0,0,0,0,0|4,0,0]=4 633 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [0,0,0,0,0,0|4,0,0]=4 634 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [0,0,0,0,0,0|3,0,1]=4 635 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [0,0,0,0,0,0|4,0,0]=4 636 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [0,0,0,0,0,0|4,0,0]=4 637 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [0,0,0,0,0,0|4,0,0]=4 638 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [0,0,0,0,0,0|4,0,0]=4 639 B14R0.394 CN(C)CCCCCCCCCCCO 2230a_100102631434_100009812471 [0,0,0,0,0,0|3,0,0]=3 640 B14R0.394 CN(C)CCCCCCCCCCCO 269982a_100102631434_100009812471 [0,0,0,0,0,0|3,0,0]=3 641 B14R0.394 CN(C)CCCCSCCCCCCO 62a_100000766143_100000690147 [0,0,0,0,0,0|4,0,0]=4 642 B14R0.394 CN(C)CCCSCCCCCCCO 62a_100000760002_100000757444 [0,0,0,0,0,0|4,0,0]=4 643 B14R0.394 CN(C)CCSCCCCCCCCO 62a_100000033203_100000755713 [0,0,0,0,0,0|4,0,0]=4 644 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [0,0,0,0,0,0|3,0,0]=3 645 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [0,0,0,0,0,0|3,0,0]=3 646 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [0,0,0,0,0,0|3,0,0]=3 647 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [0,0,0,0,0,0|4,0,0]=4 648 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [0,0,0,0,0,0|3,0,0]=3 649 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [0,0,0,0,0,0|4,0,0]=4 650 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [0,0,0,0,0,0|4,0,0]=4 651 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [0,0,0,0,0,0|4,0,0]=4 652 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [0,0,0,0,0,0|4,0,0]=4 653 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [0,0,0,0,0,0|4,0,0]=4 654 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [0,0,0,0,0,0|4,0,0]=4 655 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [0,0,0,0,0,0|4,0,0]=4 656 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [0,0,0,0,0,0|4,0,0]=4 657 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [0,0,0,0,0,0|4,0,0]=4 658 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [0,0,0,0,0,0|4,0,0]=4 659 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [0,0,0,0,0,0|4,0,0]=4 660 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [0,0,0,0,0,0|4,0,0]=4 661 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [0,0,0,0,0,0|4,0,0]=4 662 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [0,0,0,0,0,0|4,0,0]=4 663 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [0,0,0,0,0,0|4,0,0]=4 664 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [0,0,0,0,0,0|3,0,1]=4 665 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [0,0,0,0,0,0|4,0,0]=4 666 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [0,0,0,0,0,0|4,0,0]=4 667 B14R0.394 CS(=O)CCCNCCCCCCCO 2230a_200000753449_100000760002 [0,0,0,0,0,0|3,0,0]=3 668 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [0,0,0,0,0,0|3,0,0]=3 669 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [0,0,0,0,0,0|3,0,0]=3 670 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [0,0,0,0,0,0|4,0,0]=4 671 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [0,0,0,0,0,0|4,0,0]=4 672 B14R0.394 C[C@@H](Cl)COCCCCCCCCCO 34a_100016084084_100009813782 [0,0,0,0,0,0|3,0,1]=4 673 B14R0.394 C[C@@H](N)CCOCCCCCCCCO 34a_100000706166_100000033203 [0,0,0,0,0,0|3,0,1]=4 674 B14R0.394 C[C@@H](N)COCCCCCCCCCO 34a_100000737577_100009813782 [0,0,0,0,0,0|3,0,1]=4 675 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 2230a_100000078944_100009817552 [0,0,0,0,0,0|2,0,1]=3 676 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 34a_100000078944_100009817552 [0,0,0,0,0,0|2,0,1]=3 677 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 34a_100009813782_100009817552 [0,0,0,0,0,0|3,0,1]=4 678 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 7a_100009813782_100009817552 [0,0,0,0,0,0|3,0,1]=4 679 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 34a_100009868337_100009817552 [0,0,0,0,0,0|3,0,1]=4 680 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 7a_100009868337_100009817552 [0,0,0,0,0,0|3,0,1]=4 681 B14R0.394 C[C@@H](O)COCCCCCCCCCN 34a_100000078944_100009817552 [0,0,0,0,0,0|3,0,1]=4 682 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009813782_100009817552 [0,0,0,0,0,0|2,0,1]=3 683 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009817552_100009813782 [0,0,0,0,0,0|2,0,1]=3 684 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100009813337_100102525003 [0,0,0,0,0,0|3,0,1]=4 685 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100102525003_100009813337 [0,0,0,0,0,0|3,0,1]=4 686 B14R0.394 N#CCCCCCNCCOCC(=O)O 269956a_100000700818_100009813376 [0,0,0,0,0,0|3,0,1]=4 687 B14R0.394 N#CCCCCCOCCCCC(=O)N 7a_100012022536_100009813376 [0,0,0,0,0,0|3,0,1]=4 688 B14R0.394 N#CCCCCOCCCCCC(=O)N 7a_100000123541_100000211819 [0,0,0,0,0,0|3,0,1]=4 689 B14R0.394 N#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000211819 [0,0,0,0,0,0|2,0,2]=4 690 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100009817443_100000211819 [0,0,0,0,0,0|3,0,1]=4 691 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100011219923_100009817443 [0,0,0,0,0,0|3,0,1]=4 692 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [0,0,0,0,0,0|2,0,0]=2 693 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [0,0,0,0,0,0|2,0,0]=2 694 B14R0.394 NC(=O)CCCCCNCCOCCO 2230a_100000211614_100009817443 [0,0,0,0,0,0|3,0,0]=3 695 B14R0.394 NC(=O)CCCCCNCCOCCO 34a_100000211614_100009817443 [0,0,0,0,0,0|3,0,0]=3 696 B14R0.394 NC(=O)CCCCCNCCSCCO 2230a_100011219999_100009817443 [0,0,0,0,0,0|3,0,0]=3 697 B14R0.394 NC(=O)CCCCCOCCCCC=O 7a_100000123541_100000139335 [0,0,0,0,0,0|2,0,2]=4 698 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [0,0,0,0,0,0|3,0,0]=3 699 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [0,0,0,0,0,0|3,0,0]=3 700 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [0,0,0,0,0,0|3,0,0]=3 701 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [0,0,0,0,0,0|3,0,0]=3 702 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [0,0,0,0,0,0|3,0,0]=3 703 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [0,0,0,0,0,0|3,0,0]=3 704 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [0,0,0,0,0,0|3,0,0]=3 705 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [0,0,0,0,0,0|3,0,0]=3 706 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [0,0,0,0,0,0|2,0,0]=2 707 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [0,0,0,0,0,0|2,0,0]=2 708 B14R0.394 NC(=O)CCCCCOCCOCCBr 34a_100000692535_100009817443 [0,0,0,0,0,0|4,0,0]=4 709 B14R0.394 NC(=O)CCCCCOCCOCCBr 7a_100000692535_100009817443 [0,0,0,0,0,0|4,0,0]=4 710 B14R0.394 NC(=O)CCCCCOCCOCCCl 34a_100011215305_100009817443 [0,0,0,0,0,0|4,0,0]=4 711 B14R0.394 NC(=O)CCCCCOCCOCCCl 7a_100011215305_100009817443 [0,0,0,0,0,0|4,0,0]=4 712 B14R0.394 NC(=O)CCCCCOCCOCCF 34a_200015357709_100009817443 [0,0,0,0,0,0|4,0,0]=4 713 B14R0.394 NC(=O)CCCCCOCCOCCF 7a_200015357709_100009817443 [0,0,0,0,0,0|4,0,0]=4 714 B14R0.394 NC(=O)CCCCCOCCOCCI 34a_100012149058_100009817443 [0,0,0,0,0,0|4,0,0]=4 715 B14R0.394 NC(=O)CCCCCOCCOCCI 7a_100012149058_100009817443 [0,0,0,0,0,0|4,0,0]=4 716 B14R0.394 NC(=O)CCCCCOCCOCCO 34a_100000123541_100000692535 [0,0,0,0,0,0|3,0,0]=3 717 B14R0.394 NC(=O)CCCCCOCCOCCO 7a_100000123541_100011215305 [0,0,0,0,0,0|3,0,0]=3 718 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100000139335_100009817443 [0,0,0,0,0,0|2,0,2]=4 719 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100009817443_100000139335 [0,0,0,0,0,0|2,0,2]=4 720 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [0,0,0,0,0,0|3,0,0]=3 721 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [0,0,0,0,0,0|3,0,0]=3 722 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [0,0,0,0,0,0|2,0,0]=2 723 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [0,0,0,0,0,0|2,0,0]=2 724 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100009817443_100011215305 [0,0,0,0,0,0|3,0,0]=3 725 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100011215305_100009817443 [0,0,0,0,0,0|3,0,0]=3 726 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [0,0,0,0,0,0|3,0,0]=3 727 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [0,0,0,0,0,0|2,0,0]=2 728 B14R0.394 NC(=O)CCCCOCCCCCC=O 7a_100012022536_100000139337 [0,0,0,0,0,0|2,0,2]=4 729 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [0,0,0,0,0,0|3,0,0]=3 730 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [0,0,0,0,0,0|3,0,0]=3 731 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [0,0,0,0,0,0|2,0,0]=2 732 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [0,0,0,0,0,0|2,0,0]=2 733 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [0,0,0,0,0,0|2,0,0]=2 734 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [0,0,0,0,0,0|2,0,0]=2 735 B14R0.394 NC(=O)CCCNCCCOCCCO 34a_100011310245_100102525003 [0,0,0,0,0,0|3,0,0]=3 736 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [0,0,0,0,0,0|3,0,0]=3 737 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [0,0,0,0,0,0|3,0,0]=3 738 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [0,0,0,0,0,0|2,0,0]=2 739 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [0,0,0,0,0,0|2,0,0]=2 740 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [0,0,0,0,0,0|2,0,0]=2 741 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [0,0,0,0,0,0|2,0,0]=2 742 B14R0.394 NC(=O)CCNCCOCCOCCO 2230a_100011998139_100000744528 [0,0,0,0,0,0|4,0,0]=4 743 B14R0.394 NC(=O)CCNCCOCCOCCO 34a_100011998139_100000731001 [0,0,0,0,0,0|4,0,0]=4 744 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [0,0,0,0,0,0|3,0,0]=3 745 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [0,0,0,0,0,0|3,0,0]=3 746 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [0,0,0,0,0,0|3,0,0]=3 747 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [0,0,0,0,0,0|3,0,0]=3 748 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [0,0,0,0,0,0|2,0,0]=2 749 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [0,0,0,0,0,0|2,0,0]=2 750 B14R0.394 NC(=O)CCOCCOCCOCCO 34a_100000757172_100000032323 [0,0,0,0,0,0|4,0,0]=4 751 B14R0.394 NC(=O)CCOCCOCCOCCO 7a_100000757172_100000032323 [0,0,0,0,0,0|4,0,0]=4 752 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [0,0,0,0,0,0|2,0,0]=2 753 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [0,0,0,0,0,0|2,0,0]=2 754 B14R0.394 NC(=O)CCSCCOCCOCCO 62a_100000032323_100000744528 [0,0,0,0,0,0|4,0,0]=4 755 B14R0.394 NC(=O)CCSCCOCCOCCO 62a_100000744528_100000032323 [0,0,0,0,0,0|4,0,0]=4 756 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [0,0,0,0,0,0|2,0,0]=2 757 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [0,0,0,0,0,0|2,0,0]=2 758 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [0,0,0,0,0,0|2,0,0]=2 759 B14R0.394 NC(=O)CNCCCOCCOCCO 2230a_100011996194_100000747473 [0,0,0,0,0,0|4,0,0]=4 760 B14R0.394 NC(=O)CNCCCOCCOCCO 34a_100011996194_100000187820 [0,0,0,0,0,0|4,0,0]=4 761 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [0,0,0,0,0,0|3,0,0]=3 762 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [0,0,0,0,0,0|3,0,0]=3 763 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [0,0,0,0,0,0|3,0,0]=3 764 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [0,0,0,0,0,0|3,0,0]=3 765 B14R0.394 NC(=O)COCCNCCCCCCO 2230a_100000686447_100000076697 [0,0,0,0,0,0|3,0,0]=3 766 B14R0.394 NC(=O)COCCNCCCCCCO 34a_100000686447_100000076697 [0,0,0,0,0,0|3,0,0]=3 767 B14R0.394 NC(=O)COCCOCCCCCCBr 34a_100011215345_100000076697 [0,0,0,0,0,0|4,0,0]=4 768 B14R0.394 NC(=O)COCCOCCCCCCBr 7a_100011215345_100000076697 [0,0,0,0,0,0|4,0,0]=4 769 B14R0.394 NC(=O)COCCOCCCCCCCl 34a_100000766143_100000076697 [0,0,0,0,0,0|4,0,0]=4 770 B14R0.394 NC(=O)COCCOCCCCCCCl 7a_100000766143_100000076697 [0,0,0,0,0,0|4,0,0]=4 771 B14R0.394 NC(=O)COCCOCCCCCCF 34a_100000732779_100000076697 [0,0,0,0,0,0|4,0,0]=4 772 B14R0.394 NC(=O)COCCOCCCCCCF 7a_100000732779_100000076697 [0,0,0,0,0,0|4,0,0]=4 773 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100000076697_100015922095 [0,0,0,0,0,0|4,0,0]=4 774 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100015922095_100000076697 [0,0,0,0,0,0|4,0,0]=4 775 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000076697_100000766143 [0,0,0,0,0,0|3,0,0]=3 776 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000766143_100000076697 [0,0,0,0,0,0|3,0,0]=3 777 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [0,0,0,0,0,0|2,0,0]=2 778 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [0,0,0,0,0,0|2,0,0]=2 779 B14R0.394 NC(=O)NCCNCCCCCCCO 2230a_100011996573_200000034859 [0,0,0,0,0,0|3,0,0]=3 780 B14R0.394 NC(=O)NCCNCCCCCCCO 34a_100020590234_100000760002 [0,0,0,0,0,0|3,0,0]=3 781 B14R0.394 NC(=O)NCCNCCCOCCCO 2230a_100011310245_200000034859 [0,0,0,0,0,0|4,0,0]=4 782 B14R0.394 NC(=O)NCCOCCCCCCCBr 7a_100000760002_200000034859 [0,0,0,0,0,0|4,0,0]=4 783 B14R0.394 NC(=O)NCCOCCCCCCCO 34a_100000181757_100000760002 [0,0,0,0,0,0|3,0,0]=3 784 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_100000760002_200000034859 [0,0,0,0,0,0|3,0,0]=3 785 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_200000034859_100000760002 [0,0,0,0,0,0|3,0,0]=3 786 B14R0.394 NC(=O)OCCNCCCCCCCO 34a_100011996573_200011214921 [0,0,0,0,0,0|3,0,0]=3 787 B14R0.394 NC(=O)OCCNCCCOCCCO 34a_100011310245_200011214921 [0,0,0,0,0,0|4,0,0]=4 788 B14R0.394 NC(=O)OCCOCCCCCCCBr 34a_100000760002_200011214921 [0,0,0,0,0,0|4,0,0]=4 789 B14R0.394 NC(=O)OCCOCCCCCCCBr 7a_100000760002_200011214921 [0,0,0,0,0,0|4,0,0]=4 790 B14R0.394 NC(=O)OCCOCCCCCCCO 7a_100000766696_100000760002 [0,0,0,0,0,0|3,0,0]=3 791 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_100000760002_200011214921 [0,0,0,0,0,0|3,0,0]=3 792 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_200011214921_100000760002 [0,0,0,0,0,0|3,0,0]=3 793 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [0,0,0,0,0,0|3,0,0]=3 794 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [0,0,0,0,0,0|2,0,1]=3 795 B14R0.394 NCCCCCCCCCOC[N+](=O)[O-] 34a_100000078944_100000761209 [0,0,0,0,0,0|3,0,1]=4 796 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [0,0,0,0,0,0|3,0,0]=3 797 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [0,0,0,0,0,0|3,0,0]=3 798 B14R0.394 NCCCCCCCOCCOC(=O)N 34a_100011996573_200011214921 [0,0,0,0,0,0|4,0,0]=4 799 B14R0.394 NCCCCCCOCCCCB(O)O 34a_100000686447_200009817182 [0,0,0,0,0,0|3,0,1]=4 800 B14R0.394 NCCCCCCOCCOCC(=O)N 34a_100000686447_100000076697 [0,0,0,0,0,0|4,0,0]=4 801 B14R0.394 NCCCCCOCCCCCB(O)O 34a_100000762737_200009817188 [0,0,0,0,0,0|3,0,1]=4 802 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [0,0,0,0,0,0|3,0,0]=3 803 B14R0.394 NCCCCOCCCCCCB(O)O 34a_100000750430_100009817187 [0,0,0,0,0,0|3,0,1]=4 804 B14R0.394 NCCCOCCCOCCCC(=O)N 34a_100011310245_100102525003 [0,0,0,0,0,0|4,0,0]=4 805 B14R0.394 NCCNCCCCCOCCC(=O)N 34a_103619048469_100000731001 [0,0,0,0,0,0|4,0,0]=4 806 B14R0.394 NCCOCCOCCCCCC(=O)N 34a_100000211614_100009817443 [0,0,0,0,0,0|4,0,0]=4 807 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,0,0,0,0,0|1,0,0]=1 808 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,0,0,0,0,0|3,0,0]=3 809 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,0,0,0,0,0|2,0,0]=2 810 B14R0.394 O=C(O)COCCOCCNCCCF 269956a_100009854275_100011934791 [0,0,0,0,0,0|4,0,0]=4 811 B14R0.394 O=C(O)COCCOCCNCCCO 269956a_100009854275_100011215043 [0,0,0,0,0,0|3,0,0]=3 812 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,0,0,0,0,0|2,0,0]=2 813 B14R0.394 O=C(O)CONCCOCCOCCO 269956a_100000106656_100000032323 [0,0,0,0,0,0|4,0,0]=4 814 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [0,0,0,0,0,0|2,0,1]=3 815 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [0,0,0,0,0,0|1,0,1]=2 816 B14R0.394 O=C([O-])CCCCCOCCOCCO 7a_100102619762_100011215305 [0,0,0,0,0,0|2,0,1]=3 817 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [0,0,0,0,0,0|1,0,1]=2 818 B14R0.394 O=C([O-])CNCCCOCCOCCO 34a_100011996194_100020667443 [0,0,0,0,0,0|3,0,1]=4 819 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [0,0,0,0,0,0|2,0,1]=3 820 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [0,0,0,0,0,0|2,0,1]=3 821 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [0,0,0,0,0,0|1,0,1]=2 822 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [0,0,0,0,0,0|1,0,1]=2 823 B14R0.394 O=CCCCCCNCCOCC(=O)O 269956a_100000700818_100000139337 [0,0,0,0,0,0|2,0,2]=4 824 B14R0.394 O=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139335 [0,0,0,0,0,0|1,0,3]=4 825 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 34a_200015379883_100015922095 [0,0,0,0,0,0|3,0,1]=4 826 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 7a_200015379883_100015922095 [0,0,0,0,0,0|3,0,1]=4 827 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 34a_200015379883_100000766143 [0,0,0,0,0,0|2,0,1]=3 828 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 7a_200015379883_100000766143 [0,0,0,0,0,0|2,0,1]=3 829 B14R0.394 O=[N+]([O-])CCCOCCCCCCCO 34a_200000037920_100000760002 [0,0,0,0,0,0|2,0,1]=3 830 B14R0.394 O=[N+]([O-])CNCCCCCCCCCO 34a_100000078944_100000761209 [0,0,0,0,0,0|2,0,1]=3 831 B14R0.394 O=[N+]([O-])COCCCCCCCCCBr 34a_100009813782_100000761209 [0,0,0,0,0,0|3,0,1]=4 832 B14R0.394 O=[N+]([O-])COCCCCCCCCCCl 34a_100009868337_100000761209 [0,0,0,0,0,0|3,0,1]=4 833 B14R0.394 O=[N+]([O-])CSCCCCCCCCCO 62a_100009813782_100000761209 [0,0,0,0,0,0|2,0,1]=3 834 B14R0.394 O=[N+]([O-])OCCCCNCCCCCO 34a_100000762737_100015694321 [0,0,0,0,0,0|3,0,1]=4 835 B14R0.394 O=[N+]([O-])OCCCCSCCCCCO 62a_100000746330_100015694321 [0,0,0,0,0,0|3,0,1]=4 836 B14R0.394 OB(O)CCCCCCOCCCCBr 34a_100011216708_100009817187 [0,0,0,0,0,0|3,0,1]=4 837 B14R0.394 OB(O)CCCCCCOCCCCCl 34a_100000210776_100009817187 [0,0,0,0,0,0|3,0,1]=4 838 B14R0.394 OB(O)CCCCCCOCCCCCl 7a_100000210776_100009817187 [0,0,0,0,0,0|3,0,1]=4 839 B14R0.394 OB(O)CCCCCCOCCCCF 34a_100011995726_100009817187 [0,0,0,0,0,0|3,0,1]=4 840 B14R0.394 OB(O)CCCCCCOCCCCF 7a_100011995726_100009817187 [0,0,0,0,0,0|3,0,1]=4 841 B14R0.394 OB(O)CCCCCCOCCCCI 34a_200012148704_100009817187 [0,0,0,0,0,0|3,0,1]=4 842 B14R0.394 OB(O)CCCCCCSCCCCF 62a_100000729493_100009817187 [0,0,0,0,0,0|3,0,1]=4 843 B14R0.394 OB(O)CCCCCCSCCCCF 62a_100009817187_100000729493 [0,0,0,0,0,0|3,0,1]=4 844 B14R0.394 OB(O)CCCCCOCCCCCBr 34a_100000746331_200009817188 [0,0,0,0,0,0|3,0,1]=4 845 B14R0.394 OB(O)CCCCCOCCCCCBr 7a_100000746331_200009817188 [0,0,0,0,0,0|3,0,1]=4 846 B14R0.394 OB(O)CCCCCOCCCCCCl 34a_100000746330_200009817188 [0,0,0,0,0,0|3,0,1]=4 847 B14R0.394 OB(O)CCCCCOCCCCCCl 7a_100000746330_200009817188 [0,0,0,0,0,0|3,0,1]=4 848 B14R0.394 OB(O)CCCCCOCCCCCI 34a_200012148887_200009817188 [0,0,0,0,0,0|3,0,1]=4 849 B14R0.394 OB(O)CCCCCOCCCCCI 7a_200012148887_200009817188 [0,0,0,0,0,0|3,0,1]=4 850 B14R0.394 OB(O)CCCCCSCCCCCF 62a_100000729378_200009817188 [0,0,0,0,0,0|3,0,1]=4 851 B14R0.394 OB(O)CCCCCSCCCCCF 62a_200009817188_100000729378 [0,0,0,0,0,0|3,0,1]=4 852 B14R0.394 OB(O)CCCCOCCCCCCBr 34a_100011215345_200009817182 [0,0,0,0,0,0|3,0,1]=4 853 B14R0.394 OB(O)CCCCOCCCCCCBr 7a_100011215345_200009817182 [0,0,0,0,0,0|3,0,1]=4 854 B14R0.394 OB(O)CCCCOCCCCCCCl 34a_100000766143_200009817182 [0,0,0,0,0,0|3,0,1]=4 855 B14R0.394 OB(O)CCCCOCCCCCCCl 7a_100000766143_200009817182 [0,0,0,0,0,0|3,0,1]=4 856 B14R0.394 OB(O)CCCCOCCCCCCF 34a_100000732779_200009817182 [0,0,0,0,0,0|3,0,1]=4 857 B14R0.394 OB(O)CCCCOCCCCCCF 7a_100000732779_200009817182 [0,0,0,0,0,0|3,0,1]=4 858 B14R0.394 OB(O)CCCCSCCCCCCF 62a_100015922095_200009817182 [0,0,0,0,0,0|3,0,1]=4 859 B14R0.394 OB(O)CCCCSCCCCCCF 62a_200009817182_100015922095 [0,0,0,0,0,0|3,0,1]=4 860 B14R0.394 OCCCCCCCCCNCC(F)F 2230a_100000078944_100011934356 [0,0,0,0,0,0|3,0,1]=4 861 B14R0.394 OCCCCCCCCCNCC(F)F 34a_100000078944_100011934356 [0,0,0,0,0,0|3,0,1]=4 862 B14R0.394 OCCCCCCCCCNCC(F)F 34a_100000765723_100009813782 [0,0,0,0,0,0|3,0,1]=4 863 B14R0.394 OCCCCCCCCCOCC(F)F 34a_100000743014_100009813782 [0,0,0,0,0,0|3,0,1]=4 864 B14R0.394 OCCCCCCCCCSCC(F)F 62a_100009813782_100011934356 [0,0,0,0,0,0|3,0,1]=4 865 B14R0.394 OCCCCCCCCCSCC(F)F 62a_100011934356_100009813782 [0,0,0,0,0,0|3,0,1]=4 866 B14R0.394 OCCCCCCCCOCCC(F)F 34a_100103093639_100000033203 [0,0,0,0,0,0|3,0,1]=4 867 B14R0.394 OCCCCCCCNCCC=C(F)F 2230a_100011996573_200009816681 [0,0,0,0,0,0|3,0,1]=4 868 B14R0.394 OCCCCCCCNCCC=C(F)F 34a_100011996573_200009816681 [0,0,0,0,0,0|3,0,1]=4 869 B14R0.394 OCCCCCCCSCCC=C(F)F 62a_100000760002_200009816681 [0,0,0,0,0,0|3,0,1]=4 870 B14R0.394 OCCCCCCCSCCC=C(F)F 62a_200009816681_100000760002 [0,0,0,0,0,0|3,0,1]=4 871 B14R0.394 OCCCCCCNCCCCB(O)O 2230a_100000686447_200009817182 [0,0,0,0,0,0|2,0,1]=3 872 B14R0.394 OCCCCCCNCCCCB(O)O 34a_100000686447_200009817182 [0,0,0,0,0,0|2,0,1]=3 873 B14R0.394 OCCCCCCSCCCCB(O)O 62a_100000766143_200009817182 [0,0,0,0,0,0|2,0,1]=3 874 B14R0.394 OCCCCCCSCCCCB(O)O 62a_200009817182_100000766143 [0,0,0,0,0,0|2,0,1]=3 875 B14R0.394 OCCCCCNCCCCCB(O)O 2230a_100000762737_200009817188 [0,0,0,0,0,0|2,0,1]=3 876 B14R0.394 OCCCCCNCCCCCB(O)O 34a_100000762737_200009817188 [0,0,0,0,0,0|2,0,1]=3 877 B14R0.394 OCCCCCSCCCCCB(O)O 62a_100000746330_200009817188 [0,0,0,0,0,0|2,0,1]=3 878 B14R0.394 OCCCCCSCCCCCB(O)O 62a_200009817188_100000746330 [0,0,0,0,0,0|2,0,1]=3 879 B14R0.394 OCCCCNCCCCCCB(O)O 2230a_100000750430_100009817187 [0,0,0,0,0,0|2,0,1]=3 880 B14R0.394 OCCCCNCCCCCCB(O)O 34a_100000750430_100009817187 [0,0,0,0,0,0|2,0,1]=3 881 B14R0.394 OCCCCSCCCCCCB(O)O 62a_100000210776_100009817187 [0,0,0,0,0,0|2,0,1]=3 882 B14R0.394 OCCCCSCCCCCCB(O)O 62a_100009817187_100000210776 [0,0,0,0,0,0|2,0,1]=3 883 B14R0.394 OCCOCCNCCCCCB(O)O 2230a_100000211614_200009817188 [0,0,0,0,0,0|3,0,1]=4 884 B14R0.394 OCCOCCNCCCCCB(O)O 34a_100000211614_200009817188 [0,0,0,0,0,0|3,0,1]=4 885 B14R0.394 OCCOCCSCCCCCB(O)O 62a_100011215305_200009817188 [0,0,0,0,0,0|3,0,1]=4 886 B14R0.394 OCCOCCSCCCCCB(O)O 62a_200009817188_100011215305 [0,0,0,0,0,0|3,0,1]=4 887 B14R0.394 OCCSCCNCCCCCB(O)O 2230a_100011219999_200009817188 [0,0,0,0,0,0|3,0,1]=4 888 B14R0.394 [13CH3]C(=O)CCOCCOCCOCCO 1458a_100010977405_200025704644 [0,0,0,0,0,0|4,0,0]=4 889 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [0,0,0,0,0,0|3,0,0]=3 890 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [0,0,0,0,0,0|3,0,0]=3 891 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [1,0,0,0,0,0|1,0,2]=4 892 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [1,0,0,0,0,0|3,0,0]=4 893 B13R0.54 C=C(Br)CCOCCCCCCCO 34a_100009813270_100000760002 [1,0,0,0,0,0|3,0,0]=4 894 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [1,0,0,0,0,0|3,0,0]=4 895 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [1,0,0,0,0,0|3,0,0]=4 896 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [1,0,0,0,0,0|3,0,0]=4 897 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [1,0,0,0,0,0|3,0,0]=4 898 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [1,0,0,0,0,0|3,0,0]=4 899 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [1,0,0,0,0,0|3,0,0]=4 900 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [1,0,0,0,0,0|3,0,0]=4 901 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [1,0,0,0,0,0|3,0,0]=4 902 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [1,0,0,0,0,0|3,0,0]=4 903 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [1,0,0,0,0,0|3,0,0]=4 904 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [1,0,0,0,0,0|3,0,0]=4 905 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [1,0,0,0,0,0|3,0,0]=4 906 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [1,0,0,0,0,0|3,0,0]=4 907 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [1,0,0,0,0,0|3,0,0]=4 908 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [1,0,0,0,0,0|3,0,0]=4 909 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [1,0,0,0,0,0|3,0,0]=4 910 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [1,0,0,0,0,0|3,0,0]=4 911 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [1,0,0,0,0,0|3,0,0]=4 912 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [1,0,0,0,0,0|3,0,0]=4 913 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [1,0,0,0,0,0|3,0,0]=4 914 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [1,0,0,0,0,0|3,0,0]=4 915 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [1,0,0,0,0,0|3,0,0]=4 916 B13R0.54 C=C(F)CNCCCCCCCCO 2230a_102515433106_100009893438 [1,0,0,0,0,0|3,0,0]=4 917 B13R0.54 C=C(F)CNCCCCCCCCO 34a_102515433106_100009893438 [1,0,0,0,0,0|3,0,0]=4 918 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [1,0,0,0,0,0|3,0,0]=4 919 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [1,0,0,0,0,0|3,0,0]=4 920 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [1,0,0,0,0,0|3,0,0]=4 921 B13R0.54 C=C(F)COCCCCCCCCO 34a_200010262243_100000033203 [1,0,0,0,0,0|3,0,0]=4 922 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [1,0,0,0,0,0|3,0,0]=4 923 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000033203_100000042424 [1,0,0,0,0,0|3,0,0]=4 924 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000042424_100000033203 [1,0,0,0,0,0|3,0,0]=4 925 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [1,0,0,0,0,0|1,0,2]=4 926 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [1,0,0,0,0,0|1,0,2]=4 927 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [1,0,0,0,0,0|1,0,0]=2 928 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [1,0,0,0,0,0|2,0,0]=3 929 B13R0.54 CC(=O)CCCCNCCOCCO 34a_100000211614_100009817362 [1,0,0,0,0,0|3,0,0]=4 930 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [1,0,0,0,0,0|3,0,0]=4 931 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [1,0,0,0,0,0|3,0,0]=4 932 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [1,0,0,0,0,0|3,0,0]=4 933 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [1,0,0,0,0,0|3,0,0]=4 934 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [1,0,0,0,0,0|3,0,0]=4 935 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [1,0,0,0,0,0|3,0,0]=4 936 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [1,0,0,0,0,0|3,0,0]=4 937 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [1,0,0,0,0,0|3,0,0]=4 938 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [1,0,0,0,0,0|3,0,0]=4 939 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [1,0,0,0,0,0|2,0,0]=3 940 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [1,0,0,0,0,0|2,0,0]=3 941 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100000735457_100011215305 [1,0,0,0,0,0|3,0,0]=4 942 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100011215305_100000735457 [1,0,0,0,0,0|3,0,0]=4 943 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [1,0,0,0,0,0|2,0,0]=3 944 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [1,0,0,0,0,0|3,0,0]=4 945 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [1,0,0,0,0,0|3,0,0]=4 946 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [1,0,0,0,0,0|3,0,0]=4 947 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [1,0,0,0,0,0|3,0,0]=4 948 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [1,0,0,0,0,0|3,0,0]=4 949 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [1,0,0,0,0,0|3,0,0]=4 950 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [1,0,0,0,0,0|3,0,0]=4 951 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [1,0,0,0,0,0|3,0,0]=4 952 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [1,0,0,0,0,0|3,0,0]=4 953 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [1,0,0,0,0,0|2,0,0]=3 954 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [1,0,0,0,0,0|2,0,0]=3 955 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [1,0,0,0,0,0|3,0,0]=4 956 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [1,0,0,0,0,0|3,0,0]=4 957 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [1,0,0,0,0,0|2,0,0]=3 958 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [1,0,0,0,0,0|2,0,0]=3 959 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [1,0,0,0,0,0|3,0,0]=4 960 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [1,0,0,0,0,0|2,0,0]=3 961 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [1,0,0,0,0,0|2,0,0]=3 962 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [1,0,0,0,0,0|2,0,0]=3 963 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [1,0,0,0,0,0|2,0,0]=3 964 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [1,0,0,0,0,0|2,0,0]=3 965 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [1,0,0,0,0,0|2,0,0]=3 966 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [1,0,0,0,0,0|3,0,0]=4 967 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [1,0,0,0,0,0|3,0,0]=4 968 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [1,0,0,0,0,0|3,0,0]=4 969 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [1,0,0,0,0,0|3,0,0]=4 970 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [1,0,0,0,0,0|3,0,0]=4 971 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [1,0,0,0,0,0|3,0,0]=4 972 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [1,0,0,0,0,0|3,0,0]=4 973 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [1,0,0,0,0,0|3,0,0]=4 974 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [1,0,0,0,0,0|3,0,0]=4 975 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [1,0,0,0,0,0|3,0,0]=4 976 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [1,0,0,0,0,0|3,0,0]=4 977 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [1,0,0,0,0,0|3,0,0]=4 978 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [1,0,0,0,0,0|3,0,0]=4 979 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [1,0,0,0,0,0|3,0,0]=4 980 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [1,0,0,0,0,0|3,0,0]=4 981 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [1,0,0,0,0,0|3,0,0]=4 982 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [1,0,0,0,0,0|3,0,0]=4 983 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [1,0,0,0,0,0|3,0,0]=4 984 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [1,0,0,0,0,0|3,0,0]=4 985 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [1,0,0,0,0,0|3,0,0]=4 986 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [1,0,0,0,0,0|3,0,0]=4 987 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [1,0,0,0,0,0|3,0,0]=4 988 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [1,0,0,0,0,0|3,0,0]=4 989 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [1,0,0,0,0,0|3,0,0]=4 990 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [1,0,0,0,0,0|3,0,0]=4 991 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [1,0,0,0,0,0|3,0,0]=4 992 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [1,0,0,0,0,0|3,0,0]=4 993 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [1,0,0,0,0,0|3,0,0]=4 994 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [1,0,0,0,0,0|3,0,0]=4 995 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [1,0,0,0,0,0|3,0,0]=4 996 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [1,0,0,0,0,0|3,0,0]=4 997 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [1,0,0,0,0,0|3,0,0]=4 998 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [1,0,0,0,0,0|3,0,0]=4 999 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [1,0,0,0,0,0|3,0,0]=4 1000 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [1,0,0,0,0,0|3,0,0]=4 1001 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [1,0,0,0,0,0|3,0,0]=4 1002 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [1,0,0,0,0,0|3,0,0]=4 1003 B13R0.54 CC(O)CCCNCCCCCCO 2230a_100000686447_200000718107 [1,0,0,0,0,0|2,0,1]=4 1004 B13R0.54 CC(O)CCCNCCCCCCO 34a_100000686447_200000718107 [1,0,0,0,0,0|2,0,1]=4 1005 B13R0.54 CC(O)CCCSCCCCCCO 62a_100000766143_200000718107 [1,0,0,0,0,0|2,0,1]=4 1006 B13R0.54 CC(O)CCCSCCCCCCO 62a_200000718107_100000766143 [1,0,0,0,0,0|2,0,1]=4 1007 B13R0.54 CC(O)CCNCCCCCCCO 2230a_100011996573_100012276601 [1,0,0,0,0,0|2,0,1]=4 1008 B13R0.54 CC(O)CCNCCCCCCCO 2230a_200000755665_100000760002 [1,0,0,0,0,0|2,0,1]=4 1009 B13R0.54 CC(O)CCNCCCCCCCO 34a_100011996573_100012276601 [1,0,0,0,0,0|2,0,1]=4 1010 B13R0.54 CC(O)CCSCCCCCCCO 62a_100000760002_100012276601 [1,0,0,0,0,0|2,0,1]=4 1011 B13R0.54 CC(O)CCSCCCCCCCO 62a_100012276601_100000760002 [1,0,0,0,0,0|2,0,1]=4 1012 B13R0.54 CC(O)CNCCCCCCCCO 2230a_100000210904_100000033203 [1,0,0,0,0,0|2,0,1]=4 1013 B13R0.54 CC(O)CNCCCCCCCCO 2230a_102515433106_100011218427 [1,0,0,0,0,0|2,0,1]=4 1014 B13R0.54 CC(O)CNCCCCCCCCO 34a_100000210904_100000033203 [1,0,0,0,0,0|2,0,1]=4 1015 B13R0.54 CC(O)CNCCCCCCCCO 34a_102515433106_100011218427 [1,0,0,0,0,0|2,0,1]=4 1016 B13R0.54 CC(O)CSCCCCCCCCO 62a_100000033203_100011218427 [1,0,0,0,0,0|2,0,1]=4 1017 B13R0.54 CC(O)CSCCCCCCCCO 62a_100011218427_100000033203 [1,0,0,0,0,0|2,0,1]=4 1018 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [1,0,0,0,0,0|1,0,2]=4 1019 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [1,0,0,0,0,0|1,0,2]=4 1020 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [1,0,0,0,0,0|1,0,2]=4 1021 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [1,0,0,0,0,0|1,0,0]=2 1022 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [1,0,0,0,0,0|1,0,0]=2 1023 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [1,0,0,0,0,0|1,0,0]=2 1024 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [1,0,0,0,0,0|3,0,0]=4 1025 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [1,0,0,0,0,0|3,0,0]=4 1026 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [1,0,0,0,0,0|2,0,0]=3 1027 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [1,0,0,0,0,0|2,0,0]=3 1028 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [1,0,0,0,0,0|2,0,0]=3 1029 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [1,0,0,0,0,0|2,0,0]=3 1030 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [1,0,0,0,0,0|2,0,0]=3 1031 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [1,0,0,0,0,0|2,0,0]=3 1032 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [1,0,0,0,0,0|2,0,0]=3 1033 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [1,0,0,0,0,0|1,0,0]=2 1034 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [1,0,0,0,0,0|1,0,1]=3 1035 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [1,0,0,0,0,0|2,0,1]=4 1036 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [1,0,0,0,0,0|2,0,1]=4 1037 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [1,0,0,0,0,0|2,0,1]=4 1038 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [1,0,0,0,0,0|2,0,1]=4 1039 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [1,0,0,0,0,0|2,0,1]=4 1040 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [1,0,0,0,0,0|2,0,1]=4 1041 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [1,0,0,0,0,0|2,0,1]=4 1042 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [1,0,0,0,0,0|2,0,0]=3 1043 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [1,0,0,0,0,0|2,0,0]=3 1044 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [1,0,0,0,0,0|2,0,0]=3 1045 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [1,0,0,0,0,0|1,0,1]=3 1046 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [1,0,0,0,0,0|2,0,1]=4 1047 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [1,0,0,0,0,0|2,0,1]=4 1048 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [1,0,0,0,0,0|2,0,1]=4 1049 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [1,0,0,0,0,0|2,0,1]=4 1050 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [1,0,0,0,0,0|2,0,1]=4 1051 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [1,0,0,0,0,0|2,0,0]=3 1052 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [1,0,0,0,0,0|1,0,1]=3 1053 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [1,0,0,0,0,0|2,0,1]=4 1054 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [1,0,0,0,0,0|2,0,1]=4 1055 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [1,0,0,0,0,0|2,0,0]=3 1056 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [1,0,0,0,0,0|2,0,0]=3 1057 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [1,0,0,0,0,0|2,0,1]=4 1058 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [1,0,0,0,0,0|2,0,1]=4 1059 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [1,0,0,0,0,0|2,0,1]=4 1060 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [1,0,0,0,0,0|3,0,0]=4 1061 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [1,0,0,0,0,0|2,0,0]=3 1062 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [1,0,0,0,0,0|2,0,0]=3 1063 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [1,0,0,0,0,0|2,0,0]=3 1064 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [1,0,0,0,0,0|2,0,0]=3 1065 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [1,0,0,0,0,0|2,0,0]=3 1066 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [1,0,0,0,0,0|2,0,0]=3 1067 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [1,0,0,0,0,0|2,0,0]=3 1068 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [1,0,0,0,0,0|2,0,0]=3 1069 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [1,0,0,0,0,0|2,0,1]=4 1070 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [1,0,0,0,0,0|2,0,1]=4 1071 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [1,0,0,0,0,0|3,0,0]=4 1072 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [1,0,0,0,0,0|2,0,0]=3 1073 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [1,0,0,0,0,0|2,0,0]=3 1074 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [1,0,0,0,0,0|2,0,0]=3 1075 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [1,0,0,0,0,0|2,0,0]=3 1076 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [1,0,0,0,0,0|2,0,1]=4 1077 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [1,0,0,0,0,0|2,0,1]=4 1078 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [1,0,0,0,0,0|3,0,0]=4 1079 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [1,0,0,0,0,0|3,0,0]=4 1080 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [1,0,0,0,0,0|2,0,0]=3 1081 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [1,0,0,0,0,0|2,0,1]=4 1082 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [1,0,0,0,0,0|3,0,0]=4 1083 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [1,0,0,0,0,0|3,0,0]=4 1084 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [1,0,0,0,0,0|3,0,0]=4 1085 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [1,0,0,0,0,0|3,0,0]=4 1086 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [1,0,0,0,0,0|3,0,0]=4 1087 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [1,0,0,0,0,0|2,0,0]=3 1088 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [1,0,0,0,0,0|2,0,0]=3 1089 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [1,0,0,0,0,0|2,0,0]=3 1090 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [1,0,0,0,0,0|2,0,0]=3 1091 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [1,0,0,0,0,0|2,0,0]=3 1092 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [1,0,0,0,0,0|2,0,0]=3 1093 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [1,0,0,0,0,0|2,0,1]=4 1094 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [1,0,0,0,0,0|2,0,1]=4 1095 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [1,0,0,0,0,0|2,0,1]=4 1096 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [1,0,0,0,0,0|3,0,0]=4 1097 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [1,0,0,0,0,0|3,0,0]=4 1098 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [1,0,0,0,0,0|3,0,0]=4 1099 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [1,0,0,0,0,0|3,0,0]=4 1100 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [1,0,0,0,0,0|3,0,0]=4 1101 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [1,0,0,0,0,0|3,0,0]=4 1102 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [1,0,0,0,0,0|3,0,0]=4 1103 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [1,0,0,0,0,0|3,0,0]=4 1104 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [1,0,0,0,0,0|3,0,0]=4 1105 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [1,0,0,0,0,0|2,0,0]=3 1106 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [1,0,0,0,0,0|2,0,0]=3 1107 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [1,0,0,0,0,0|2,0,0]=3 1108 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [1,0,0,0,0,0|2,0,0]=3 1109 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [1,0,0,0,0,0|2,0,1]=4 1110 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [1,0,0,0,0,0|2,0,1]=4 1111 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [1,0,0,0,0,0|3,0,0]=4 1112 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [1,0,0,0,0,0|3,0,0]=4 1113 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [1,0,0,0,0,0|3,0,0]=4 1114 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [1,0,0,0,0,0|3,0,0]=4 1115 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [1,0,0,0,0,0|3,0,0]=4 1116 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [1,0,0,0,0,0|3,0,0]=4 1117 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [1,0,0,0,0,0|3,0,0]=4 1118 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [1,0,0,0,0,0|3,0,0]=4 1119 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [1,0,0,0,0,0|2,0,1]=4 1120 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [1,0,0,0,0,0|2,0,0]=3 1121 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [1,0,0,0,0,0|3,0,0]=4 1122 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [1,0,0,0,0,0|3,0,0]=4 1123 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [1,0,0,0,0,0|3,0,0]=4 1124 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [1,0,0,0,0,0|2,0,0]=3 1125 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [1,0,0,0,0,0|2,0,1]=4 1126 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [1,0,0,0,0,0|2,0,1]=4 1127 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [1,0,0,0,0,0|2,0,0]=3 1128 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [1,0,0,0,0,0|2,0,0]=3 1129 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [1,0,0,0,0,0|2,0,0]=3 1130 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [1,0,0,0,0,0|2,0,0]=3 1131 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [1,0,0,0,0,0|2,0,1]=4 1132 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [1,0,0,0,0,0|2,0,1]=4 1133 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [1,0,0,0,0,0|3,0,0]=4 1134 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [1,0,0,0,0,0|3,0,0]=4 1135 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [1,0,0,0,0,0|3,0,0]=4 1136 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [1,0,0,0,0,0|3,0,0]=4 1137 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [1,0,0,0,0,0|3,0,0]=4 1138 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [1,0,0,0,0,0|3,0,0]=4 1139 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [1,0,0,0,0,0|3,0,0]=4 1140 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [1,0,0,0,0,0|3,0,0]=4 1141 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [1,0,0,0,0,0|3,0,0]=4 1142 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [1,0,0,0,0,0|2,0,1]=4 1143 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [1,0,0,0,0,0|2,0,1]=4 1144 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [1,0,0,0,0,0|2,0,1]=4 1145 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [1,0,0,0,0,0|2,0,0]=3 1146 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [1,0,0,0,0,0|2,0,0]=3 1147 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [1,0,0,0,0,0|3,0,0]=4 1148 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [1,0,0,0,0,0|3,0,0]=4 1149 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [1,0,0,0,0,0|3,0,0]=4 1150 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [1,0,0,0,0,0|3,0,0]=4 1151 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [1,0,0,0,0,0|3,0,0]=4 1152 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [1,0,0,0,0,0|3,0,0]=4 1153 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [1,0,0,0,0,0|2,0,1]=4 1154 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [1,0,0,0,0,0|2,0,0]=3 1155 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [1,0,0,0,0,0|3,0,0]=4 1156 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [1,0,0,0,0,0|3,0,0]=4 1157 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [1,0,0,0,0,0|3,0,0]=4 1158 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [1,0,0,0,0,0|3,0,0]=4 1159 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [1,0,0,0,0,0|2,0,1]=4 1160 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [1,0,0,0,0,0|2,0,1]=4 1161 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [1,0,0,0,0,0|2,0,0]=3 1162 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [1,0,0,0,0,0|2,0,0]=3 1163 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [1,0,0,0,0,0|2,0,0]=3 1164 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [1,0,0,0,0,0|2,0,0]=3 1165 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [1,0,0,0,0,0|1,0,1]=3 1166 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [1,0,0,0,0,0|3,0,0]=4 1167 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [1,0,0,0,0,0|3,0,0]=4 1168 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [1,0,0,0,0,0|3,0,0]=4 1169 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [1,0,0,0,0,0|3,0,0]=4 1170 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [1,0,0,0,0,0|3,0,0]=4 1171 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [1,0,0,0,0,0|3,0,0]=4 1172 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [1,0,0,0,0,0|3,0,0]=4 1173 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [1,0,0,0,0,0|3,0,0]=4 1174 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [1,0,0,0,0,0|3,0,0]=4 1175 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [1,0,0,0,0,0|2,0,1]=4 1176 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [1,0,0,0,0,0|2,0,1]=4 1177 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [1,0,0,0,0,0|2,0,0]=3 1178 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [1,0,0,0,0,0|2,0,0]=3 1179 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [1,0,0,0,0,0|3,0,0]=4 1180 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [1,0,0,0,0,0|3,0,0]=4 1181 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [1,0,0,0,0,0|3,0,0]=4 1182 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [1,0,0,0,0,0|3,0,0]=4 1183 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [1,0,0,0,0,0|2,0,1]=4 1184 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [1,0,0,0,0,0|2,0,1]=4 1185 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [1,0,0,0,0,0|3,0,0]=4 1186 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [1,0,0,0,0,0|3,0,0]=4 1187 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [1,0,0,0,0,0|3,0,0]=4 1188 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [1,0,0,0,0,0|3,0,0]=4 1189 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [1,0,0,0,0,0|3,0,0]=4 1190 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [1,0,0,0,0,0|2,0,1]=4 1191 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [1,0,0,0,0,0|2,0,1]=4 1192 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [1,0,0,0,0,0|2,0,1]=4 1193 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [1,0,0,0,0,0|3,0,0]=4 1194 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [1,0,0,0,0,0|3,0,0]=4 1195 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [1,0,0,0,0,0|3,0,0]=4 1196 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [1,0,0,0,0,0|3,0,0]=4 1197 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [1,0,0,0,0,0|2,0,1]=4 1198 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [1,0,0,0,0,0|3,0,0]=4 1199 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [1,0,0,0,0,0|3,0,0]=4 1200 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [1,0,0,0,0,0|3,0,0]=4 1201 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [1,0,0,0,0,0|3,0,0]=4 1202 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [1,0,0,0,0,0|3,0,0]=4 1203 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [1,0,0,0,0,0|3,0,0]=4 1204 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [1,0,0,0,0,0|3,0,0]=4 1205 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [1,0,0,0,0,0|3,0,0]=4 1206 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [1,0,0,0,0,0|3,0,0]=4 1207 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [1,0,0,0,0,0|3,0,0]=4 1208 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [1,0,0,0,0,0|3,0,0]=4 1209 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [1,0,0,0,0,0|3,0,0]=4 1210 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [1,0,0,0,0,0|3,0,0]=4 1211 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [1,0,0,0,0,0|3,0,0]=4 1212 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [1,0,0,0,0,0|3,0,0]=4 1213 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [1,0,0,0,0,0|3,0,0]=4 1214 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [1,0,0,0,0,0|3,0,0]=4 1215 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [1,0,0,0,0,0|3,0,0]=4 1216 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [1,0,0,0,0,0|3,0,0]=4 1217 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [1,0,0,0,0,0|3,0,0]=4 1218 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [1,0,0,0,0,0|3,0,0]=4 1219 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [1,0,0,0,0,0|2,0,1]=4 1220 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [1,0,0,0,0,0|2,0,1]=4 1221 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [1,0,0,0,0,0|3,0,0]=4 1222 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [1,0,0,0,0,0|3,0,0]=4 1223 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [1,0,0,0,0,0|3,0,0]=4 1224 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [1,0,0,0,0,0|3,0,0]=4 1225 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [1,0,0,0,0,0|3,0,0]=4 1226 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [1,0,0,0,0,0|3,0,0]=4 1227 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [1,0,0,0,0,0|3,0,0]=4 1228 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [1,0,0,0,0,0|3,0,0]=4 1229 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [1,0,0,0,0,0|3,0,0]=4 1230 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [1,0,0,0,0,0|3,0,0]=4 1231 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [1,0,0,0,0,0|3,0,0]=4 1232 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [1,0,0,0,0,0|3,0,0]=4 1233 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [1,0,0,0,0,0|3,0,0]=4 1234 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [1,0,0,0,0,0|3,0,0]=4 1235 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [1,0,0,0,0,0|3,0,0]=4 1236 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [1,0,0,0,0,0|3,0,0]=4 1237 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [1,0,0,0,0,0|3,0,0]=4 1238 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [1,0,0,0,0,0|3,0,0]=4 1239 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [1,0,0,0,0,0|3,0,0]=4 1240 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [1,0,0,0,0,0|3,0,0]=4 1241 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [1,0,0,0,0,0|3,0,0]=4 1242 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [1,0,0,0,0,0|3,0,0]=4 1243 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [1,0,0,0,0,0|3,0,0]=4 1244 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [1,0,0,0,0,0|3,0,0]=4 1245 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [1,0,0,0,0,0|3,0,0]=4 1246 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [1,0,0,0,0,0|3,0,0]=4 1247 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [1,0,0,0,0,0|3,0,0]=4 1248 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [1,0,0,0,0,0|3,0,0]=4 1249 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [1,0,0,0,0,0|3,0,0]=4 1250 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [1,0,0,0,0,0|3,0,0]=4 1251 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [1,0,0,0,0,0|3,0,0]=4 1252 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [1,0,0,0,0,0|3,0,0]=4 1253 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [1,0,0,0,0,0|3,0,0]=4 1254 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [1,0,0,0,0,0|3,0,0]=4 1255 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [1,0,0,0,0,0|3,0,0]=4 1256 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [1,0,0,0,0,0|3,0,0]=4 1257 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [1,0,0,0,0,0|3,0,0]=4 1258 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [1,0,0,0,0,0|2,0,1]=4 1259 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [1,0,0,0,0,0|3,0,0]=4 1260 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [1,0,0,0,0,0|3,0,0]=4 1261 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [1,0,0,0,0,0|3,0,0]=4 1262 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [1,0,0,0,0,0|3,0,0]=4 1263 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [1,0,0,0,0,0|3,0,0]=4 1264 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [1,0,0,0,0,0|3,0,0]=4 1265 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [1,0,0,0,0,0|3,0,0]=4 1266 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [1,0,0,0,0,0|3,0,0]=4 1267 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [1,0,0,0,0,0|3,0,0]=4 1268 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [1,0,0,0,0,0|2,0,1]=4 1269 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [1,0,0,0,0,0|3,0,0]=4 1270 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [1,0,0,0,0,0|3,0,0]=4 1271 B13R0.54 CN(C)CCCCCCCCCCO 2230a_100102631434_100009813290 [1,0,0,0,0,0|3,0,0]=4 1272 B13R0.54 CN(C)CCCCCCCCCCO 269982a_100102631434_100009813290 [1,0,0,0,0,0|3,0,0]=4 1273 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [1,0,0,0,0,0|3,0,0]=4 1274 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [1,0,0,0,0,0|3,0,0]=4 1275 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [1,0,0,0,0,0|3,0,0]=4 1276 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [1,0,0,0,0,0|3,0,0]=4 1277 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [1,0,0,0,0,0|3,0,0]=4 1278 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [1,0,0,0,0,0|3,0,0]=4 1279 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [1,0,0,0,0,0|3,0,0]=4 1280 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [1,0,0,0,0,0|3,0,0]=4 1281 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [1,0,0,0,0,0|3,0,0]=4 1282 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [1,0,0,0,0,0|3,0,0]=4 1283 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [1,0,0,0,0,0|3,0,0]=4 1284 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [1,0,0,0,0,0|3,0,0]=4 1285 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [1,0,0,0,0,0|3,0,0]=4 1286 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [1,0,0,0,0,0|3,0,0]=4 1287 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [1,0,0,0,0,0|3,0,0]=4 1288 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [1,0,0,0,0,0|3,0,0]=4 1289 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [1,0,0,0,0,0|3,0,0]=4 1290 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [1,0,0,0,0,0|3,0,0]=4 1291 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [1,0,0,0,0,0|3,0,0]=4 1292 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [1,0,0,0,0,0|3,0,0]=4 1293 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [1,0,0,0,0,0|3,0,0]=4 1294 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [1,0,0,0,0,0|3,0,0]=4 1295 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [1,0,0,0,0,0|3,0,0]=4 1296 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [1,0,0,0,0,0|3,0,0]=4 1297 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [1,0,0,0,0,0|3,0,0]=4 1298 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [1,0,0,0,0,0|3,0,0]=4 1299 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [1,0,0,0,0,0|3,0,0]=4 1300 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [1,0,0,0,0,0|3,0,0]=4 1301 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [1,0,0,0,0,0|2,0,1]=4 1302 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [1,0,0,0,0,0|3,0,0]=4 1303 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [1,0,0,0,0,0|3,0,0]=4 1304 B13R0.54 CS(=O)CCCNCCCCCCO 2230a_200000753449_100000766143 [1,0,0,0,0,0|3,0,0]=4 1305 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [1,0,0,0,0,0|3,0,0]=4 1306 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [1,0,0,0,0,0|3,0,0]=4 1307 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [1,0,0,0,0,0|3,0,0]=4 1308 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [1,0,0,0,0,0|3,0,0]=4 1309 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [1,0,0,0,0,0|3,0,0]=4 1310 B13R0.54 C[C@@H](O)CNCCCCCCCCO 2230a_102515433106_100009817552 [1,0,0,0,0,0|2,0,1]=4 1311 B13R0.54 C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100009817552 [1,0,0,0,0,0|2,0,1]=4 1312 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100009817552 [1,0,0,0,0,0|2,0,1]=4 1313 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100009817552_100000033203 [1,0,0,0,0,0|2,0,1]=4 1314 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [1,0,0,0,0,0|2,0,0]=3 1315 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [1,0,0,0,0,0|2,0,0]=3 1316 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [1,0,0,0,0,0|3,0,0]=4 1317 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [1,0,0,0,0,0|3,0,0]=4 1318 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [1,0,0,0,0,0|3,0,0]=4 1319 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [1,0,0,0,0,0|3,0,0]=4 1320 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [1,0,0,0,0,0|3,0,0]=4 1321 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [1,0,0,0,0,0|3,0,0]=4 1322 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [1,0,0,0,0,0|3,0,0]=4 1323 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [1,0,0,0,0,0|3,0,0]=4 1324 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [1,0,0,0,0,0|2,0,0]=3 1325 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [1,0,0,0,0,0|2,0,0]=3 1326 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [1,0,0,0,0,0|3,0,0]=4 1327 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [1,0,0,0,0,0|3,0,0]=4 1328 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [1,0,0,0,0,0|2,0,0]=3 1329 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [1,0,0,0,0,0|2,0,0]=3 1330 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [1,0,0,0,0,0|3,0,0]=4 1331 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [1,0,0,0,0,0|2,0,0]=3 1332 B13R0.54 NC(=O)CCCCNCCOCCO 34a_100000696515_100000692535 [1,0,0,0,0,0|3,0,0]=4 1333 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [1,0,0,0,0,0|3,0,0]=4 1334 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [1,0,0,0,0,0|3,0,0]=4 1335 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [1,0,0,0,0,0|2,0,0]=3 1336 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [1,0,0,0,0,0|2,0,0]=3 1337 B13R0.54 NC(=O)CCCCOCCOCCO 34a_100012022536_100000692535 [1,0,0,0,0,0|3,0,0]=4 1338 B13R0.54 NC(=O)CCCCOCCOCCO 7a_100012022536_100011215305 [1,0,0,0,0,0|3,0,0]=4 1339 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [1,0,0,0,0,0|3,0,0]=4 1340 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [1,0,0,0,0,0|2,0,0]=3 1341 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [1,0,0,0,0,0|2,0,0]=3 1342 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [1,0,0,0,0,0|3,0,0]=4 1343 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [1,0,0,0,0,0|3,0,0]=4 1344 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [1,0,0,0,0,0|3,0,0]=4 1345 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [1,0,0,0,0,0|3,0,0]=4 1346 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [1,0,0,0,0,0|3,0,0]=4 1347 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [1,0,0,0,0,0|3,0,0]=4 1348 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [1,0,0,0,0,0|3,0,0]=4 1349 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [1,0,0,0,0,0|3,0,0]=4 1350 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [1,0,0,0,0,0|2,0,0]=3 1351 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [1,0,0,0,0,0|2,0,0]=3 1352 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [1,0,0,0,0,0|2,0,0]=3 1353 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [1,0,0,0,0,0|2,0,0]=3 1354 B13R0.54 NC(=O)CCNCCCOCCCO 2230a_100011310245_100000744528 [1,0,0,0,0,0|3,0,0]=4 1355 B13R0.54 NC(=O)CCNCCCOCCCO 34a_100011310245_100000731001 [1,0,0,0,0,0|3,0,0]=4 1356 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [1,0,0,0,0,0|3,0,0]=4 1357 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [1,0,0,0,0,0|3,0,0]=4 1358 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [1,0,0,0,0,0|2,0,0]=3 1359 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [1,0,0,0,0,0|2,0,0]=3 1360 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [1,0,0,0,0,0|2,0,0]=3 1361 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [1,0,0,0,0,0|2,0,0]=3 1362 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [1,0,0,0,0,0|2,0,0]=3 1363 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [1,0,0,0,0,0|2,0,0]=3 1364 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [1,0,0,0,0,0|2,0,0]=3 1365 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [1,0,0,0,0,0|3,0,0]=4 1366 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [1,0,0,0,0,0|3,0,0]=4 1367 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [1,0,0,0,0,0|3,0,0]=4 1368 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [1,0,0,0,0,0|3,0,0]=4 1369 B13R0.54 NC(=O)COCCNCCCCCO 2230a_100000762737_100000076697 [1,0,0,0,0,0|3,0,0]=4 1370 B13R0.54 NC(=O)COCCNCCCCCO 34a_100000762737_100000076697 [1,0,0,0,0,0|3,0,0]=4 1371 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000076697_100000746330 [1,0,0,0,0,0|3,0,0]=4 1372 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000746330_100000076697 [1,0,0,0,0,0|3,0,0]=4 1373 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [1,0,0,0,0,0|2,0,0]=3 1374 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [1,0,0,0,0,0|2,0,0]=3 1375 B13R0.54 NC(=O)NCCNCCCCCCO 2230a_100000686447_200000034859 [1,0,0,0,0,0|3,0,0]=4 1376 B13R0.54 NC(=O)NCCNCCCCCCO 34a_100020590234_100000766143 [1,0,0,0,0,0|3,0,0]=4 1377 B13R0.54 NC(=O)NCCOCCCCCCO 34a_100000181757_100000766143 [1,0,0,0,0,0|3,0,0]=4 1378 B13R0.54 NC(=O)NCCSCCCCCCO 62a_100000766143_200000034859 [1,0,0,0,0,0|3,0,0]=4 1379 B13R0.54 NC(=O)NCCSCCCCCCO 62a_200000034859_100000766143 [1,0,0,0,0,0|3,0,0]=4 1380 B13R0.54 NC(=O)OCCNCCCCCCO 34a_100000686447_200011214921 [1,0,0,0,0,0|3,0,0]=4 1381 B13R0.54 NC(=O)OCCOCCCCCCO 7a_100000766696_100000766143 [1,0,0,0,0,0|3,0,0]=4 1382 B13R0.54 NC(=O)OCCSCCCCCCO 62a_100000766143_200011214921 [1,0,0,0,0,0|3,0,0]=4 1383 B13R0.54 NC(=O)OCCSCCCCCCO 62a_200011214921_100000766143 [1,0,0,0,0,0|3,0,0]=4 1384 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [1,0,0,0,0,0|3,0,0]=4 1385 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [1,0,0,0,0,0|2,0,1]=4 1386 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [1,0,0,0,0,0|3,0,0]=4 1387 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [1,0,0,0,0,0|3,0,0]=4 1388 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [1,0,0,0,0,0|3,0,0]=4 1389 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [1,0,0,0,0,0|1,0,0]=2 1390 B13R0.54 O=C(O)CNCCOCCOCCO 269956a_100016091260_100000032323 [1,0,0,0,0,0|3,0,0]=4 1391 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [1,0,0,0,0,0|3,0,0]=4 1392 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [1,0,0,0,0,0|2,0,0]=3 1393 B13R0.54 O=C(O)COCCNCCOCCO 269956a_100000700818_100011215305 [1,0,0,0,0,0|3,0,0]=4 1394 B13R0.54 O=C(O)COCCOCCNCCO 269956a_100009854275_100000211926 [1,0,0,0,0,0|3,0,0]=4 1395 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [1,0,0,0,0,0|2,0,0]=3 1396 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [1,0,0,0,0,0|2,0,1]=4 1397 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [1,0,0,0,0,0|1,0,1]=3 1398 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [1,0,0,0,0,0|1,0,1]=3 1399 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [1,0,0,0,0,0|2,0,1]=4 1400 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [1,0,0,0,0,0|2,0,1]=4 1401 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [1,0,0,0,0,0|1,0,1]=3 1402 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [1,0,0,0,0,0|1,0,1]=3 1403 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 34a_200015379883_100000746330 [1,0,0,0,0,0|2,0,1]=4 1404 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 7a_200015379883_100000746330 [1,0,0,0,0,0|2,0,1]=4 1405 B13R0.54 O=[N+]([O-])CCCOCCCCCCO 34a_200000037920_100000766143 [1,0,0,0,0,0|2,0,1]=4 1406 B13R0.54 O=[N+]([O-])CNCCCCCCCCO 34a_102515433106_100000761209 [1,0,0,0,0,0|2,0,1]=4 1407 B13R0.54 O=[N+]([O-])CSCCCCCCCCO 62a_100000033203_100000761209 [1,0,0,0,0,0|2,0,1]=4 1408 B13R0.54 OCCCCCNCCCCB(O)O 2230a_100000762737_200009817182 [1,0,0,0,0,0|2,0,1]=4 1409 B13R0.54 OCCCCCNCCCCB(O)O 34a_100000762737_200009817182 [1,0,0,0,0,0|2,0,1]=4 1410 B13R0.54 OCCCCCSCCCCB(O)O 62a_100000746330_200009817182 [1,0,0,0,0,0|2,0,1]=4 1411 B13R0.54 OCCCCCSCCCCB(O)O 62a_200009817182_100000746330 [1,0,0,0,0,0|2,0,1]=4 1412 B13R0.54 OCCCCNCCCCCB(O)O 2230a_100000750430_200009817188 [1,0,0,0,0,0|2,0,1]=4 1413 B13R0.54 OCCCCNCCCCCB(O)O 34a_100000750430_200009817188 [1,0,0,0,0,0|2,0,1]=4 1414 B13R0.54 OCCCCSCCCCCB(O)O 62a_100000210776_200009817188 [1,0,0,0,0,0|2,0,1]=4 1415 B13R0.54 OCCCCSCCCCCB(O)O 62a_200009817188_100000210776 [1,0,0,0,0,0|2,0,1]=4 1416 B13R0.54 OCCCSCCCCCCB(O)O 62a_100009817187_100011215043 [1,0,0,0,0,0|2,0,1]=4 1417 B13R0.54 OCCCSCCCCCCB(O)O 62a_100011215043_100009817187 [1,0,0,0,0,0|2,0,1]=4 1418 B13R0.336 C#CCCCCCCCCOCC=O 34a_100000065265_200009817547 [1,0,0,0,0,0|2,0,1]=4 1419 B13R0.336 C#CCCCCCCCCOCC=O 7a_100000065265_200015260668 [1,0,0,0,0,0|2,0,1]=4 1420 B13R0.336 C#CCCCCCCCCOCCO 34a_100000065265_100000211926 [1,0,0,0,0,0|2,0,1]=4 1421 B13R0.336 C#CCCCCCCCCOCCO 7a_100000065265_100000211926 [1,0,0,0,0,0|2,0,1]=4 1422 B13R0.336 C#CCCCCCCCOCCCO 34a_100000054614_100000230001 [1,0,0,0,0,0|2,0,1]=4 1423 B13R0.336 C#CCCCCCCCOCCCO 7a_100000054614_100011215043 [1,0,0,0,0,0|2,0,1]=4 1424 B13R0.336 C#CCCCCCCCSCCCO 62a_100011215043_100153394163 [1,0,0,0,0,0|2,0,1]=4 1425 B13R0.336 C#CCCCCCCCSCCCO 62a_100153394163_100011215043 [1,0,0,0,0,0|2,0,1]=4 1426 B13R0.336 C#CCCCCCCNCCCCO 2230a_100000750430_100012276617 [1,0,0,0,0,0|2,0,1]=4 1427 B13R0.336 C#CCCCCCCNCCCCO 34a_100000750430_100012276617 [1,0,0,0,0,0|2,0,1]=4 1428 B13R0.336 C#CCCCCCCOCCCC=O 7a_100011217361_200011292268 [1,0,0,0,0,0|2,0,1]=4 1429 B13R0.336 C#CCCCCCCOCCCCO 34a_100011217361_100011216708 [1,0,0,0,0,0|2,0,1]=4 1430 B13R0.336 C#CCCCCCCOCCCCO 7a_100011217361_100000210776 [1,0,0,0,0,0|2,0,1]=4 1431 B13R0.336 C#CCCCCCCSCCCC=O 62a_100012276617_200011292268 [1,0,0,0,0,0|2,0,1]=4 1432 B13R0.336 C#CCCCCCCSCCCC=O 62a_200011292268_100012276617 [1,0,0,0,0,0|2,0,1]=4 1433 B13R0.336 C#CCCCCCCSCCCCO 62a_100000210776_100012276617 [1,0,0,0,0,0|2,0,1]=4 1434 B13R0.336 C#CCCCCCCSCCCCO 62a_100012276617_100000210776 [1,0,0,0,0,0|2,0,1]=4 1435 B13R0.336 C#CCCCCCNCCCCCO 2230a_100000762737_100012094781 [1,0,0,0,0,0|2,0,1]=4 1436 B13R0.336 C#CCCCCCNCCCCCO 34a_100000762737_100012094781 [1,0,0,0,0,0|2,0,1]=4 1437 B13R0.336 C#CCCCCCOCCCCC=O 7a_100000766912_100000139335 [1,0,0,0,0,0|2,0,1]=4 1438 B13R0.336 C#CCCCCCOCCCCCO 34a_100000766912_100000746330 [1,0,0,0,0,0|2,0,1]=4 1439 B13R0.336 C#CCCCCCOCCCCCO 7a_100000766912_100000746330 [1,0,0,0,0,0|2,0,1]=4 1440 B13R0.336 C#CCCCCCSCCCCC=O 62a_100000139335_100012094781 [1,0,0,0,0,0|2,0,1]=4 1441 B13R0.336 C#CCCCCCSCCCCC=O 62a_100012094781_100000139335 [1,0,0,0,0,0|2,0,1]=4 1442 B13R0.336 C#CCCCCCSCCCCCO 62a_100000746330_100012094781 [1,0,0,0,0,0|2,0,1]=4 1443 B13R0.336 C#CCCCCCSCCCCCO 62a_100012094781_100000746330 [1,0,0,0,0,0|2,0,1]=4 1444 B13R0.336 C#CCCCCNCCCCCC=O 2230a_100000706060_100000139337 [1,0,0,0,0,0|2,0,1]=4 1445 B13R0.336 C#CCCCCNCCCCCCO 2230a_100000686447_100010269958 [1,0,0,0,0,0|2,0,1]=4 1446 B13R0.336 C#CCCCCNCCCCCCO 2230a_100000706060_100000766143 [1,0,0,0,0,0|2,0,1]=4 1447 B13R0.336 C#CCCCCNCCCCCCO 34a_100000686447_100010269958 [1,0,0,0,0,0|2,0,1]=4 1448 B13R0.336 C#CCCCCNCCCCCCO 34a_100000706060_100000766143 [1,0,0,0,0,0|2,0,1]=4 1449 B13R0.336 C#CCCCCOCCCCCC=O 7a_100000766709_100000139337 [1,0,0,0,0,0|2,0,1]=4 1450 B13R0.336 C#CCCCCOCCCCCCO 34a_100000766709_100000766143 [1,0,0,0,0,0|2,0,1]=4 1451 B13R0.336 C#CCCCCOCCCCCCO 7a_100000766709_100000766143 [1,0,0,0,0,0|2,0,1]=4 1452 B13R0.336 C#CCCCCSCCCCCC=O 62a_100000139337_100010269958 [1,0,0,0,0,0|2,0,1]=4 1453 B13R0.336 C#CCCCCSCCCCCC=O 62a_100010269958_100000139337 [1,0,0,0,0,0|2,0,1]=4 1454 B13R0.336 C#CCCCCSCCCCCCO 62a_100000766143_100010269958 [1,0,0,0,0,0|2,0,1]=4 1455 B13R0.336 C#CCCCCSCCCCCCO 62a_100010269958_100000766143 [1,0,0,0,0,0|2,0,1]=4 1456 B13R0.336 C#CCCCNCCCCCCCO 2230a_100011996573_100000731252 [1,0,0,0,0,0|2,0,1]=4 1457 B13R0.336 C#CCCCNCCCCCCCO 34a_100000718082_100000760002 [1,0,0,0,0,0|2,0,1]=4 1458 B13R0.336 C#CCCCNCCCCCCCO 34a_100011996573_100000695029 [1,0,0,0,0,0|2,0,1]=4 1459 B13R0.336 C#CCCCOCCCCCCCO 34a_100000215630_100000760002 [1,0,0,0,0,0|2,0,1]=4 1460 B13R0.336 C#CCCCOCCCCCCCO 7a_100000215630_100000760002 [1,0,0,0,0,0|2,0,1]=4 1461 B13R0.336 C#CCCCSCCCCCCCO 62a_100000760002_100011215417 [1,0,0,0,0,0|2,0,1]=4 1462 B13R0.336 C#CCCCSCCCCCCCO 62a_100011215417_100000760002 [1,0,0,0,0,0|2,0,1]=4 1463 B13R0.336 C#CCCNCCCCCCCCO 2230a_102515433106_100000688953 [1,0,0,0,0,0|2,0,1]=4 1464 B13R0.336 C#CCCNCCCCCCCCO 34a_100000755551_100000033203 [1,0,0,0,0,0|2,0,1]=4 1465 B13R0.336 C#CCCNCCCCCCCCO 34a_102515433106_100000688953 [1,0,0,0,0,0|2,0,1]=4 1466 B13R0.336 C#CCCOCCCCCCCCO 34a_100011215631_100000033203 [1,0,0,0,0,0|2,0,1]=4 1467 B13R0.336 C#CCCSCCCCCCCCO 62a_100000033203_100000688953 [1,0,0,0,0,0|2,0,1]=4 1468 B13R0.336 C#CCCSCCCCCCCCO 62a_100000688953_100000033203 [1,0,0,0,0,0|2,0,1]=4 1469 B13R0.336 C#CCNCCCCCCCCCO 2230a_100000078944_100000038162 [1,0,0,0,0,0|2,0,1]=4 1470 B13R0.336 C#CCNCCCCCCCCCO 34a_100000078944_100000184674 [1,0,0,0,0,0|2,0,1]=4 1471 B13R0.336 C#CCNCCCCCCCCCO 34a_100000212058_100009813782 [1,0,0,0,0,0|2,0,1]=4 1472 B13R0.336 C#CCOCCCCCCCCCO 34a_100000210247_100009813782 [1,0,0,0,0,0|2,0,1]=4 1473 B13R0.336 C#CCSCCCCCCCCCO 62a_100000038162_100009813782 [1,0,0,0,0,0|2,0,1]=4 1474 B13R0.336 C/C=C/CCOCCCCCCCO 34a_100016278192_100000760002 [1,0,0,0,0,0|2,0,1]=4 1475 B13R0.336 C/C=C/CNCCCCCCCCO 34a_102515433106_100102629194 [1,0,0,0,0,0|2,0,1]=4 1476 B13R0.336 C/C=C/COCCCCCCCCO 34a_100016270725_100000033203 [1,0,0,0,0,0|2,0,1]=4 1477 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100000033203_100102629194 [1,0,0,0,0,0|2,0,1]=4 1478 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100102629194_100000033203 [1,0,0,0,0,0|2,0,1]=4 1479 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [1,0,0,0,0,0|3,0,0]=4 1480 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [1,0,0,0,0,0|3,0,0]=4 1481 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [1,0,0,0,0,0|3,0,0]=4 1482 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [1,0,0,0,0,0|3,0,0]=4 1483 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [1,0,0,0,0,0|3,0,0]=4 1484 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [1,0,0,0,0,0|3,0,0]=4 1485 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [1,0,0,0,0,0|3,0,0]=4 1486 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [1,0,0,0,0,0|3,0,0]=4 1487 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [1,0,0,0,0,0|3,0,0]=4 1488 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [1,0,0,0,0,0|3,0,0]=4 1489 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [1,0,0,0,0,0|3,0,0]=4 1490 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [1,0,0,0,0,0|3,0,0]=4 1491 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [1,0,0,0,0,0|3,0,0]=4 1492 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [1,0,0,0,0,0|3,0,0]=4 1493 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [1,0,0,0,0,0|3,0,0]=4 1494 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [1,0,0,0,0,0|3,0,0]=4 1495 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [1,0,0,0,0,0|2,0,0]=3 1496 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [1,0,0,0,0,0|2,0,0]=3 1497 B13R0.336 C=CCCCCCCCCOCC=O 34a_100011215194_200009817547 [1,0,0,0,0,0|2,0,1]=4 1498 B13R0.336 C=CCCCCCCCCOCC=O 7a_100011215194_200015260668 [1,0,0,0,0,0|2,0,1]=4 1499 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [1,0,0,0,0,0|3,0,0]=4 1500 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [1,0,0,0,0,0|3,0,0]=4 1501 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [1,0,0,0,0,0|3,0,0]=4 1502 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [1,0,0,0,0,0|3,0,0]=4 1503 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [1,0,0,0,0,0|3,0,0]=4 1504 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [1,0,0,0,0,0|3,0,0]=4 1505 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [1,0,0,0,0,0|3,0,0]=4 1506 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [1,0,0,0,0,0|2,0,0]=3 1507 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [1,0,0,0,0,0|2,0,0]=3 1508 B13R0.336 C=CCCCCCCCCSCC=O 62a_100011933949_200015260668 [1,0,0,0,0,0|2,0,1]=4 1509 B13R0.336 C=CCCCCCCCCSCC=O 62a_200015260668_100011933949 [1,0,0,0,0,0|2,0,1]=4 1510 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [1,0,0,0,0,0|3,0,0]=4 1511 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [1,0,0,0,0,0|3,0,0]=4 1512 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [1,0,0,0,0,0|2,0,0]=3 1513 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [1,0,0,0,0,0|2,0,0]=3 1514 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [1,0,0,0,0,0|3,0,0]=4 1515 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [1,0,0,0,0,0|3,0,0]=4 1516 B13R0.336 C=CCCCCCCCNCCCF 2230a_100015189416_100012355270 [1,0,0,0,0,0|3,0,0]=4 1517 B13R0.336 C=CCCCCCCCNCCCF 34a_100015189416_100012355270 [1,0,0,0,0,0|3,0,0]=4 1518 B13R0.336 C=CCCCCCCCOCCCBr 34a_100011217188_100012355270 [1,0,0,0,0,0|3,0,0]=4 1519 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [1,0,0,0,0,0|3,0,0]=4 1520 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [1,0,0,0,0,0|3,0,0]=4 1521 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [1,0,0,0,0,0|3,0,0]=4 1522 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [1,0,0,0,0,0|3,0,0]=4 1523 B13R0.336 C=CCCCCCCCOCCCCl 34a_100000230001_100012355270 [1,0,0,0,0,0|3,0,0]=4 1524 B13R0.336 C=CCCCCCCCOCCCF 34a_100000730831_100011934791 [1,0,0,0,0,0|3,0,0]=4 1525 B13R0.336 C=CCCCCCCCOCCCF 34a_100000759539_100012355270 [1,0,0,0,0,0|3,0,0]=4 1526 B13R0.336 C=CCCCCCCCOCCCF 7a_100000730831_100011934791 [1,0,0,0,0,0|3,0,0]=4 1527 B13R0.336 C=CCCCCCCCOCCCN 34a_100000182051_100012355270 [1,0,0,0,0,0|3,0,0]=4 1528 B13R0.336 C=CCCCCCCCOCCCO 34a_100000730831_100000230001 [1,0,0,0,0,0|2,0,0]=3 1529 B13R0.336 C=CCCCCCCCOCCCO 7a_100000730831_100011215043 [1,0,0,0,0,0|2,0,0]=3 1530 B13R0.336 C=CCCCCCCCSCCCF 62a_100011934791_100012355270 [1,0,0,0,0,0|3,0,0]=4 1531 B13R0.336 C=CCCCCCCCSCCCF 62a_100012355270_100011934791 [1,0,0,0,0,0|3,0,0]=4 1532 B13R0.336 C=CCCCCCCCSCCCO 62a_100011215043_100012355270 [1,0,0,0,0,0|2,0,0]=3 1533 B13R0.336 C=CCCCCCCCSCCCO 62a_100012355270_100011215043 [1,0,0,0,0,0|2,0,0]=3 1534 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [1,0,0,0,0,0|3,0,0]=4 1535 B13R0.336 C=CCCCCCCNCCCCO 2230a_100000750430_100011215473 [1,0,0,0,0,0|2,0,0]=3 1536 B13R0.336 C=CCCCCCCNCCCCO 34a_100000750430_100011215473 [1,0,0,0,0,0|2,0,0]=3 1537 B13R0.336 C=CCCCCCCOCCCC=O 7a_200011216477_200011292268 [1,0,0,0,0,0|2,0,1]=4 1538 B13R0.336 C=CCCCCCCOCCCCBr 34a_100011216708_100011215473 [1,0,0,0,0,0|3,0,0]=4 1539 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [1,0,0,0,0,0|3,0,0]=4 1540 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [1,0,0,0,0,0|3,0,0]=4 1541 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [1,0,0,0,0,0|3,0,0]=4 1542 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [1,0,0,0,0,0|3,0,0]=4 1543 B13R0.336 C=CCCCCCCOCCCCCl 34a_100000210776_100011215473 [1,0,0,0,0,0|3,0,0]=4 1544 B13R0.336 C=CCCCCCCOCCCCCl 7a_100000210776_100011215473 [1,0,0,0,0,0|3,0,0]=4 1545 B13R0.336 C=CCCCCCCOCCCCF 34a_100011995726_100011215473 [1,0,0,0,0,0|3,0,0]=4 1546 B13R0.336 C=CCCCCCCOCCCCF 34a_200011216477_100000729493 [1,0,0,0,0,0|3,0,0]=4 1547 B13R0.336 C=CCCCCCCOCCCCF 7a_100011995726_100011215473 [1,0,0,0,0,0|3,0,0]=4 1548 B13R0.336 C=CCCCCCCOCCCCF 7a_200011216477_100000729493 [1,0,0,0,0,0|3,0,0]=4 1549 B13R0.336 C=CCCCCCCOCCCCI 34a_200012148704_100011215473 [1,0,0,0,0,0|3,0,0]=4 1550 B13R0.336 C=CCCCCCCOCCCCN 34a_100000750430_100011215473 [1,0,0,0,0,0|3,0,0]=4 1551 B13R0.336 C=CCCCCCCOCCCCO 34a_200011216477_100011216708 [1,0,0,0,0,0|2,0,0]=3 1552 B13R0.336 C=CCCCCCCOCCCCO 7a_200011216477_100000210776 [1,0,0,0,0,0|2,0,0]=3 1553 B13R0.336 C=CCCCCCCSCCCC=O 62a_100011215473_200011292268 [1,0,0,0,0,0|2,0,1]=4 1554 B13R0.336 C=CCCCCCCSCCCC=O 62a_200011292268_100011215473 [1,0,0,0,0,0|2,0,1]=4 1555 B13R0.336 C=CCCCCCCSCCCCF 62a_100000729493_100011215473 [1,0,0,0,0,0|3,0,0]=4 1556 B13R0.336 C=CCCCCCCSCCCCF 62a_100011215473_100000729493 [1,0,0,0,0,0|3,0,0]=4 1557 B13R0.336 C=CCCCCCCSCCCCO 62a_100000210776_100011215473 [1,0,0,0,0,0|2,0,0]=3 1558 B13R0.336 C=CCCCCCCSCCCCO 62a_100011215473_100000210776 [1,0,0,0,0,0|2,0,0]=3 1559 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [1,0,0,0,0,0|3,0,0]=4 1560 B13R0.336 C=CCCCCCNCCCCCO 2230a_100000762737_100000700193 [1,0,0,0,0,0|2,0,0]=3 1561 B13R0.336 C=CCCCCCNCCCCCO 34a_100000762737_100000700193 [1,0,0,0,0,0|2,0,0]=3 1562 B13R0.336 C=CCCCCCNCCOCCO 2230a_100000211614_100000700193 [1,0,0,0,0,0|3,0,0]=4 1563 B13R0.336 C=CCCCCCNCCOCCO 34a_100000211614_100000700193 [1,0,0,0,0,0|3,0,0]=4 1564 B13R0.336 C=CCCCCCNCCSCCO 2230a_100011219999_100000700193 [1,0,0,0,0,0|3,0,0]=4 1565 B13R0.336 C=CCCCCCOCCCCC=O 7a_100011216702_100000139335 [1,0,0,0,0,0|2,0,1]=4 1566 B13R0.336 C=CCCCCCOCCCCCBr 34a_100000746331_100000700193 [1,0,0,0,0,0|3,0,0]=4 1567 B13R0.336 C=CCCCCCOCCCCCBr 7a_100000746331_100000700193 [1,0,0,0,0,0|3,0,0]=4 1568 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [1,0,0,0,0,0|3,0,0]=4 1569 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [1,0,0,0,0,0|3,0,0]=4 1570 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [1,0,0,0,0,0|3,0,0]=4 1571 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [1,0,0,0,0,0|3,0,0]=4 1572 B13R0.336 C=CCCCCCOCCCCCCl 34a_100000746330_100000700193 [1,0,0,0,0,0|3,0,0]=4 1573 B13R0.336 C=CCCCCCOCCCCCCl 7a_100000746330_100000700193 [1,0,0,0,0,0|3,0,0]=4 1574 B13R0.336 C=CCCCCCOCCCCCF 34a_100011216702_100000729378 [1,0,0,0,0,0|3,0,0]=4 1575 B13R0.336 C=CCCCCCOCCCCCF 7a_100011216702_100000729378 [1,0,0,0,0,0|3,0,0]=4 1576 B13R0.336 C=CCCCCCOCCCCCI 34a_200012148887_100000700193 [1,0,0,0,0,0|3,0,0]=4 1577 B13R0.336 C=CCCCCCOCCCCCI 7a_200012148887_100000700193 [1,0,0,0,0,0|3,0,0]=4 1578 B13R0.336 C=CCCCCCOCCCCCN 34a_100000762737_100000700193 [1,0,0,0,0,0|3,0,0]=4 1579 B13R0.336 C=CCCCCCOCCCCCO 34a_100011216702_100000746330 [1,0,0,0,0,0|2,0,0]=3 1580 B13R0.336 C=CCCCCCOCCCCCO 7a_100011216702_100000746330 [1,0,0,0,0,0|2,0,0]=3 1581 B13R0.336 C=CCCCCCOCCOCCO 34a_100011216702_100000692535 [1,0,0,0,0,0|3,0,0]=4 1582 B13R0.336 C=CCCCCCOCCOCCO 7a_100011216702_100011215305 [1,0,0,0,0,0|3,0,0]=4 1583 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000139335_100000700193 [1,0,0,0,0,0|2,0,1]=4 1584 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000700193_100000139335 [1,0,0,0,0,0|2,0,1]=4 1585 B13R0.336 C=CCCCCCSCCCCCF 62a_100000700193_100000729378 [1,0,0,0,0,0|3,0,0]=4 1586 B13R0.336 C=CCCCCCSCCCCCF 62a_100000729378_100000700193 [1,0,0,0,0,0|3,0,0]=4 1587 B13R0.336 C=CCCCCCSCCCCCO 62a_100000700193_100000746330 [1,0,0,0,0,0|2,0,0]=3 1588 B13R0.336 C=CCCCCCSCCCCCO 62a_100000746330_100000700193 [1,0,0,0,0,0|2,0,0]=3 1589 B13R0.336 C=CCCCCCSCCOCCO 62a_100000700193_100011215305 [1,0,0,0,0,0|3,0,0]=4 1590 B13R0.336 C=CCCCCCSCCOCCO 62a_100011215305_100000700193 [1,0,0,0,0,0|3,0,0]=4 1591 B13R0.336 C=CCCCCNCCCCCC=O 2230a_100000703577_100000139337 [1,0,0,0,0,0|2,0,1]=4 1592 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [1,0,0,0,0,0|3,0,0]=4 1593 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [1,0,0,0,0,0|3,0,0]=4 1594 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [1,0,0,0,0,0|3,0,0]=4 1595 B13R0.336 C=CCCCCNCCCCCCF 2230a_100000703577_100015922095 [1,0,0,0,0,0|3,0,0]=4 1596 B13R0.336 C=CCCCCNCCCCCCF 34a_100000703577_100015922095 [1,0,0,0,0,0|3,0,0]=4 1597 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000686447_100011215482 [1,0,0,0,0,0|2,0,0]=3 1598 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000703577_100000766143 [1,0,0,0,0,0|2,0,0]=3 1599 B13R0.336 C=CCCCCNCCCCCCO 34a_100000686447_100011215482 [1,0,0,0,0,0|2,0,0]=3 1600 B13R0.336 C=CCCCCNCCCCCCO 34a_100000703577_100000766143 [1,0,0,0,0,0|2,0,0]=3 1601 B13R0.336 C=CCCCCOCCCCCC=O 7a_100000766645_100000139337 [1,0,0,0,0,0|2,0,1]=4 1602 B13R0.336 C=CCCCCOCCCCCCBr 34a_100011215345_100011215482 [1,0,0,0,0,0|3,0,0]=4 1603 B13R0.336 C=CCCCCOCCCCCCBr 7a_100011215345_100011215482 [1,0,0,0,0,0|3,0,0]=4 1604 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [1,0,0,0,0,0|3,0,0]=4 1605 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [1,0,0,0,0,0|3,0,0]=4 1606 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [1,0,0,0,0,0|3,0,0]=4 1607 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [1,0,0,0,0,0|3,0,0]=4 1608 B13R0.336 C=CCCCCOCCCCCCCl 34a_100000766143_100011215482 [1,0,0,0,0,0|3,0,0]=4 1609 B13R0.336 C=CCCCCOCCCCCCCl 7a_100000766143_100011215482 [1,0,0,0,0,0|3,0,0]=4 1610 B13R0.336 C=CCCCCOCCCCCCF 34a_100000732779_100011215482 [1,0,0,0,0,0|3,0,0]=4 1611 B13R0.336 C=CCCCCOCCCCCCF 34a_100000766645_100015922095 [1,0,0,0,0,0|3,0,0]=4 1612 B13R0.336 C=CCCCCOCCCCCCF 7a_100000732779_100011215482 [1,0,0,0,0,0|3,0,0]=4 1613 B13R0.336 C=CCCCCOCCCCCCF 7a_100000766645_100015922095 [1,0,0,0,0,0|3,0,0]=4 1614 B13R0.336 C=CCCCCOCCCCCCN 34a_100000686447_100011215482 [1,0,0,0,0,0|3,0,0]=4 1615 B13R0.336 C=CCCCCOCCCCCCO 34a_100000766645_100000766143 [1,0,0,0,0,0|2,0,0]=3 1616 B13R0.336 C=CCCCCOCCCCCCO 7a_100000766645_100000766143 [1,0,0,0,0,0|2,0,0]=3 1617 B13R0.336 C=CCCCCSCCCCCC=O 62a_100000139337_100011215482 [1,0,0,0,0,0|2,0,1]=4 1618 B13R0.336 C=CCCCCSCCCCCC=O 62a_100011215482_100000139337 [1,0,0,0,0,0|2,0,1]=4 1619 B13R0.336 C=CCCCCSCCCCCCF 62a_100011215482_100015922095 [1,0,0,0,0,0|3,0,0]=4 1620 B13R0.336 C=CCCCCSCCCCCCF 62a_100015922095_100011215482 [1,0,0,0,0,0|3,0,0]=4 1621 B13R0.336 C=CCCCCSCCCCCCO 62a_100000766143_100011215482 [1,0,0,0,0,0|2,0,0]=3 1622 B13R0.336 C=CCCCCSCCCCCCO 62a_100011215482_100000766143 [1,0,0,0,0,0|2,0,0]=3 1623 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [1,0,0,0,0,0|3,0,0]=4 1624 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [1,0,0,0,0,0|3,0,0]=4 1625 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [1,0,0,0,0,0|3,0,0]=4 1626 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [1,0,0,0,0,0|3,0,0]=4 1627 B13R0.336 C=CCCCNCCCCCCCO 2230a_100000700776_100000760002 [1,0,0,0,0,0|2,0,0]=3 1628 B13R0.336 C=CCCCNCCCCCCCO 2230a_100011996573_100011713584 [1,0,0,0,0,0|2,0,0]=3 1629 B13R0.336 C=CCCCNCCCCCCCO 34a_100000700776_100000760002 [1,0,0,0,0,0|2,0,0]=3 1630 B13R0.336 C=CCCCNCCCCCCCO 34a_100011996573_100000757094 [1,0,0,0,0,0|2,0,0]=3 1631 B13R0.336 C=CCCCNCCCOCCCO 2230a_100011310245_100011713584 [1,0,0,0,0,0|3,0,0]=4 1632 B13R0.336 C=CCCCNCCCOCCCO 34a_100011310245_100000757094 [1,0,0,0,0,0|3,0,0]=4 1633 B13R0.336 C=CCCCOCCCCCCCBr 34a_100000760002_100000757094 [1,0,0,0,0,0|3,0,0]=4 1634 B13R0.336 C=CCCCOCCCCCCCBr 7a_100000760002_100000757094 [1,0,0,0,0,0|3,0,0]=4 1635 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [1,0,0,0,0,0|3,0,0]=4 1636 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [1,0,0,0,0,0|3,0,0]=4 1637 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [1,0,0,0,0,0|3,0,0]=4 1638 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [1,0,0,0,0,0|3,0,0]=4 1639 B13R0.336 C=CCCCOCCCCCCCN 34a_100011996573_100000757094 [1,0,0,0,0,0|3,0,0]=4 1640 B13R0.336 C=CCCCOCCCCCCCO 34a_100000758997_100000760002 [1,0,0,0,0,0|2,0,0]=3 1641 B13R0.336 C=CCCCOCCCCCCCO 7a_100000758997_100000760002 [1,0,0,0,0,0|2,0,0]=3 1642 B13R0.336 C=CCCCSCCCCCCCO 62a_100000760002_100000757094 [1,0,0,0,0,0|2,0,0]=3 1643 B13R0.336 C=CCCCSCCCCCCCO 62a_100011713584_100000760002 [1,0,0,0,0,0|2,0,0]=3 1644 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [1,0,0,0,0,0|3,0,0]=4 1645 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [1,0,0,0,0,0|3,0,0]=4 1646 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [1,0,0,0,0,0|3,0,0]=4 1647 B13R0.336 C=CCCNCCCCCCCCO 2230a_100015191253_100000033203 [1,0,0,0,0,0|2,0,0]=3 1648 B13R0.336 C=CCCNCCCCCCCCO 2230a_102515433106_100000754431 [1,0,0,0,0,0|2,0,0]=3 1649 B13R0.336 C=CCCNCCCCCCCCO 34a_102515433106_100000754431 [1,0,0,0,0,0|2,0,0]=3 1650 B13R0.336 C=CCCOCCCCCCCCBr 34a_100009813846_100000754431 [1,0,0,0,0,0|3,0,0]=4 1651 B13R0.336 C=CCCOCCCCCCCCBr 7a_100009813846_100000754431 [1,0,0,0,0,0|3,0,0]=4 1652 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [1,0,0,0,0,0|3,0,0]=4 1653 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [1,0,0,0,0,0|3,0,0]=4 1654 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [1,0,0,0,0,0|3,0,0]=4 1655 B13R0.336 C=CCCOCCCCCCCCCl 34a_100000033203_100000754431 [1,0,0,0,0,0|3,0,0]=4 1656 B13R0.336 C=CCCOCCCCCCCCCl 7a_100000033203_100000754431 [1,0,0,0,0,0|3,0,0]=4 1657 B13R0.336 C=CCCOCCCCCCCCN 34a_102515433106_100000754431 [1,0,0,0,0,0|3,0,0]=4 1658 B13R0.336 C=CCCOCCCCCCCCO 34a_100011205117_100000033203 [1,0,0,0,0,0|2,0,0]=3 1659 B13R0.336 C=CCCSCCCCCCCCO 62a_100000033203_100000754431 [1,0,0,0,0,0|2,0,0]=3 1660 B13R0.336 C=CCCSCCCCCCCCO 62a_100000754431_100000033203 [1,0,0,0,0,0|2,0,0]=3 1661 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [1,0,0,0,0,0|3,0,0]=4 1662 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [1,0,0,0,0,0|3,0,0]=4 1663 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [1,0,0,0,0,0|3,0,0]=4 1664 B13R0.336 C=CCNCCCCCCCCCO 2230a_100000078944_100000210623 [1,0,0,0,0,0|2,0,0]=3 1665 B13R0.336 C=CCNCCCCCCCCCO 2230a_100020586998_100009813782 [1,0,0,0,0,0|2,0,0]=3 1666 B13R0.336 C=CCNCCCCCCCCCO 34a_100000078944_100015514636 [1,0,0,0,0,0|2,0,0]=3 1667 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [1,0,0,0,0,0|3,0,0]=4 1668 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [1,0,0,0,0,0|3,0,0]=4 1669 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [1,0,0,0,0,0|3,0,0]=4 1670 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [1,0,0,0,0,0|3,0,0]=4 1671 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [1,0,0,0,0,0|3,0,0]=4 1672 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [1,0,0,0,0,0|3,0,0]=4 1673 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [1,0,0,0,0,0|3,0,0]=4 1674 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [1,0,0,0,0,0|3,0,0]=4 1675 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [1,0,0,0,0,0|2,0,0]=3 1676 B13R0.336 C=CCOCCOCCCCCCO 34a_100000037705_100000766143 [1,0,0,0,0,0|3,0,0]=4 1677 B13R0.336 C=CCOCCOCCCCCCO 7a_100000037705_100000766143 [1,0,0,0,0,0|3,0,0]=4 1678 B13R0.336 C=CCSCCCCCCCCCO 62a_100000210623_100009813782 [1,0,0,0,0,0|2,0,0]=3 1679 B13R0.336 C=CCSCCCCCCCCCO 62a_100009813782_100000210623 [1,0,0,0,0,0|2,0,0]=3 1680 B13R0.336 C=COCCCCOCCCCCO 34a_100000031558_100000746330 [1,0,0,0,0,0|3,0,0]=4 1681 B13R0.336 C=COCCCCOCCCCCO 7a_100000031558_100000746330 [1,0,0,0,0,0|3,0,0]=4 1682 B13R0.336 C=COCCCNCCCCCCO 2230a_100000210767_100000766143 [1,0,0,0,0,0|3,0,0]=4 1683 B13R0.336 C=COCCCNCCCCCCO 34a_100000210767_100000766143 [1,0,0,0,0,0|3,0,0]=4 1684 B13R0.336 C=COCCNCCCCCCCO 2230a_100011996573_100000039644 [1,0,0,0,0,0|3,0,0]=4 1685 B13R0.336 C=COCCNCCCCCCCO 34a_100011996573_100000039644 [1,0,0,0,0,0|3,0,0]=4 1686 B13R0.336 C=COCCOCCCCCCCO 34a_100000033082_100000760002 [1,0,0,0,0,0|3,0,0]=4 1687 B13R0.336 C=COCCSCCCCCCCO 62a_100000039644_100000760002 [1,0,0,0,0,0|3,0,0]=4 1688 B13R0.336 C=COCCSCCCCCCCO 62a_100000760002_100000039644 [1,0,0,0,0,0|3,0,0]=4 1689 B13R0.336 CC=CCCCOCCCCCCO 34a_100020645299_100000766143 [1,0,0,0,0,0|2,0,1]=4 1690 B13R0.336 CC=CCNCCCCCCCCO 2230a_102515433106_100000070051 [1,0,0,0,0,0|2,0,1]=4 1691 B13R0.336 CC=CCNCCCCCCCCO 34a_102515433106_100000070051 [1,0,0,0,0,0|2,0,1]=4 1692 B13R0.336 CC=CCSCCCCCCCCO 62a_100000033203_100000070051 [1,0,0,0,0,0|2,0,1]=4 1693 B13R0.336 CC=CCSCCCCCCCCO 62a_100000070051_100000033203 [1,0,0,0,0,0|2,0,1]=4 1694 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [1,0,0,0,0,0|3,0,0]=4 1695 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [1,0,0,0,0,0|3,0,0]=4 1696 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [1,0,0,0,0,0|3,0,0]=4 1697 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [1,0,0,0,0,0|3,0,0]=4 1698 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [1,0,0,0,0,0|3,0,0]=4 1699 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [1,0,0,0,0,0|3,0,0]=4 1700 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [1,0,0,0,0,0|3,0,0]=4 1701 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [1,0,0,0,0,0|3,0,0]=4 1702 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [1,0,0,0,0,0|3,0,0]=4 1703 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [1,0,0,0,0,0|3,0,0]=4 1704 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [1,0,0,0,0,0|3,0,0]=4 1705 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [1,0,0,0,0,0|3,0,0]=4 1706 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [1,0,0,0,0,0|3,0,0]=4 1707 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [1,0,0,0,0,0|2,0,0]=3 1708 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [1,0,0,0,0,0|2,0,0]=3 1709 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [1,0,0,0,0,0|2,0,1]=4 1710 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [1,0,0,0,0,0|2,0,1]=4 1711 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [1,0,0,0,0,0|2,0,1]=4 1712 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [1,0,0,0,0,0|2,0,1]=4 1713 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [1,0,0,0,0,0|2,0,0]=3 1714 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [1,0,0,0,0,0|2,0,0]=3 1715 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [1,0,0,0,0,0|2,0,1]=4 1716 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [1,0,0,0,0,0|2,0,1]=4 1717 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [1,0,0,0,0,0|2,0,0]=3 1718 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [1,0,0,0,0,0|2,0,1]=4 1719 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [1,0,0,0,0,0|2,0,1]=4 1720 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [1,0,0,0,0,0|2,0,1]=4 1721 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [1,0,0,0,0,0|2,0,1]=4 1722 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [1,0,0,0,0,0|2,0,1]=4 1723 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [1,0,0,0,0,0|2,0,1]=4 1724 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [1,0,0,0,0,0|2,0,0]=3 1725 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [1,0,0,0,0,0|2,0,1]=4 1726 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [1,0,0,0,0,0|2,0,1]=4 1727 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [1,0,0,0,0,0|2,0,1]=4 1728 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [1,0,0,0,0,0|2,0,1]=4 1729 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [1,0,0,0,0,0|2,0,0]=3 1730 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [1,0,0,0,0,0|2,0,1]=4 1731 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [1,0,0,0,0,0|2,0,1]=4 1732 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [1,0,0,0,0,0|2,0,0]=3 1733 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [1,0,0,0,0,0|2,0,0]=3 1734 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [1,0,0,0,0,0|2,0,1]=4 1735 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [1,0,0,0,0,0|2,0,1]=4 1736 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [1,0,0,0,0,0|2,0,0]=3 1737 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [1,0,0,0,0,0|2,0,1]=4 1738 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [1,0,0,0,0,0|2,0,1]=4 1739 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [1,0,0,0,0,0|2,0,1]=4 1740 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [1,0,0,0,0,0|2,0,0]=3 1741 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [1,0,0,0,0,0|2,0,1]=4 1742 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [1,0,0,0,0,0|2,0,1]=4 1743 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [1,0,0,0,0,0|2,0,0]=3 1744 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [1,0,0,0,0,0|2,0,0]=3 1745 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [1,0,0,0,0,0|2,0,1]=4 1746 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [1,0,0,0,0,0|2,0,1]=4 1747 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [1,0,0,0,0,0|2,0,0]=3 1748 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [1,0,0,0,0,0|2,0,1]=4 1749 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [1,0,0,0,0,0|2,0,1]=4 1750 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [1,0,0,0,0,0|2,0,1]=4 1751 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [1,0,0,0,0,0|2,0,0]=3 1752 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [1,0,0,0,0,0|2,0,1]=4 1753 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [1,0,0,0,0,0|2,0,1]=4 1754 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [1,0,0,0,0,0|2,0,0]=3 1755 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [1,0,0,0,0,0|2,0,0]=3 1756 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [1,0,0,0,0,0|2,0,1]=4 1757 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [1,0,0,0,0,0|2,0,1]=4 1758 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [1,0,0,0,0,0|2,0,1]=4 1759 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [1,0,0,0,0,0|2,0,1]=4 1760 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [1,0,0,0,0,0|2,0,1]=4 1761 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [1,0,0,0,0,0|2,0,1]=4 1762 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [1,0,0,0,0,0|2,0,1]=4 1763 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [1,0,0,0,0,0|3,0,0]=4 1764 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [1,0,0,0,0,0|2,0,1]=4 1765 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [1,0,0,0,0,0|2,0,1]=4 1766 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [1,0,0,0,0,0|2,0,1]=4 1767 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [1,0,0,0,0,0|2,0,1]=4 1768 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [1,0,0,0,0,0|2,0,1]=4 1769 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [1,0,0,0,0,0|2,0,1]=4 1770 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [1,0,0,0,0,0|2,0,1]=4 1771 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [1,0,0,0,0,0|2,0,1]=4 1772 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [1,0,0,0,0,0|3,0,0]=4 1773 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [1,0,0,0,0,0|3,0,0]=4 1774 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [1,0,0,0,0,0|3,0,0]=4 1775 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [1,0,0,0,0,0|3,0,0]=4 1776 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [1,0,0,0,0,0|3,0,0]=4 1777 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [1,0,0,0,0,0|3,0,0]=4 1778 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [1,0,0,0,0,0|3,0,0]=4 1779 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [1,0,0,0,0,0|2,0,1]=4 1780 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [1,0,0,0,0,0|2,0,1]=4 1781 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [1,0,0,0,0,0|3,0,0]=4 1782 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [1,0,0,0,0,0|3,0,0]=4 1783 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [1,0,0,0,0,0|2,0,1]=4 1784 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [1,0,0,0,0,0|2,0,1]=4 1785 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [1,0,0,0,0,0|2,0,1]=4 1786 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [1,0,0,0,0,0|3,0,0]=4 1787 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [1,0,0,0,0,0|3,0,0]=4 1788 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [1,0,0,0,0,0|3,0,0]=4 1789 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [1,0,0,0,0,0|3,0,0]=4 1790 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [1,0,0,0,0,0|3,0,0]=4 1791 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [1,0,0,0,0,0|2,0,1]=4 1792 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [1,0,0,0,0,0|2,0,1]=4 1793 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [1,0,0,0,0,0|3,0,0]=4 1794 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [1,0,0,0,0,0|3,0,0]=4 1795 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [1,0,0,0,0,0|2,0,1]=4 1796 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [1,0,0,0,0,0|2,0,1]=4 1797 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [1,0,0,0,0,0|2,0,1]=4 1798 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [1,0,0,0,0,0|2,0,1]=4 1799 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [1,0,0,0,0,0|3,0,0]=4 1800 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [1,0,0,0,0,0|3,0,0]=4 1801 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [1,0,0,0,0,0|3,0,0]=4 1802 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [1,0,0,0,0,0|3,0,0]=4 1803 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [1,0,0,0,0,0|2,0,1]=4 1804 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [1,0,0,0,0,0|2,0,1]=4 1805 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [1,0,0,0,0,0|3,0,0]=4 1806 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [1,0,0,0,0,0|2,0,0]=3 1807 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [1,0,0,0,0,0|2,0,0]=3 1808 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [1,0,0,0,0,0|2,0,0]=3 1809 B13R0.336 CNCCCCCOCCCCCO 34a_100000722520_100000746330 [1,0,0,0,0,0|3,0,0]=4 1810 B13R0.336 CNCCCOCCCCCCCO 34a_100000213112_100000760002 [1,0,0,0,0,0|3,0,0]=4 1811 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [1,0,0,0,0,0|3,0,0]=4 1812 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [1,0,0,0,0,0|3,0,0]=4 1813 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [1,0,0,0,0,0|2,0,0]=3 1814 B13R0.336 COCCCCCCNCCCCO 2230a_100000750430_100011998445 [1,0,0,0,0,0|3,0,0]=4 1815 B13R0.336 COCCCCCCNCCCCO 34a_100000750430_100011998445 [1,0,0,0,0,0|3,0,0]=4 1816 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [1,0,0,0,0,0|3,0,0]=4 1817 B13R0.336 COCCCCCCOCCCCO 34a_200012092642_100011216708 [1,0,0,0,0,0|3,0,0]=4 1818 B13R0.336 COCCCCCCOCCCCO 7a_200012092642_100000210776 [1,0,0,0,0,0|3,0,0]=4 1819 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [1,0,0,0,0,0|3,0,0]=4 1820 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [1,0,0,0,0,0|3,0,0]=4 1821 B13R0.336 COCCCCCCSCCCCO 62a_100000210776_100011998445 [1,0,0,0,0,0|3,0,0]=4 1822 B13R0.336 COCCCCCCSCCCCO 62a_100011998445_100000210776 [1,0,0,0,0,0|3,0,0]=4 1823 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [1,0,0,0,0,0|3,0,0]=4 1824 B13R0.336 COCCCCCNCCCCCO 2230a_100000747528_100000746330 [1,0,0,0,0,0|3,0,0]=4 1825 B13R0.336 COCCCCCNCCCCCO 34a_100000747528_100000746330 [1,0,0,0,0,0|3,0,0]=4 1826 B13R0.336 COCCCCNCCCCCCO 2230a_100000686447_100000730899 [1,0,0,0,0,0|3,0,0]=4 1827 B13R0.336 COCCCCNCCCCCCO 34a_100000686447_100000755781 [1,0,0,0,0,0|3,0,0]=4 1828 B13R0.336 COCCCCOCCCCCCO 34a_100000740925_100000766143 [1,0,0,0,0,0|3,0,0]=4 1829 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [1,0,0,0,0,0|3,0,0]=4 1830 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [1,0,0,0,0,0|3,0,0]=4 1831 B13R0.336 COCCCCSCCCCCCO 62a_100000730899_100000766143 [1,0,0,0,0,0|3,0,0]=4 1832 B13R0.336 COCCCCSCCCCCCO 62a_100000766143_100000730899 [1,0,0,0,0,0|3,0,0]=4 1833 B13R0.336 COCCCNCCCCCCCO 2230a_100011996573_100000740836 [1,0,0,0,0,0|3,0,0]=4 1834 B13R0.336 COCCCNCCCCCCCO 34a_100011996573_100000740836 [1,0,0,0,0,0|3,0,0]=4 1835 B13R0.336 COCCCNCCCCCCCO 34a_100150723488_100000760002 [1,0,0,0,0,0|3,0,0]=4 1836 B13R0.336 COCCCOCCCCCCCO 34a_100000740835_100000760002 [1,0,0,0,0,0|3,0,0]=4 1837 B13R0.336 COCCCSCCCCCCCO 62a_100000709357_100000760002 [1,0,0,0,0,0|3,0,0]=4 1838 B13R0.336 COCCCSCCCCCCCO 62a_100000760002_100000709357 [1,0,0,0,0,0|3,0,0]=4 1839 B13R0.336 COCCNCCCCCCCCO 2230a_100000209980_100000033203 [1,0,0,0,0,0|3,0,0]=4 1840 B13R0.336 COCCNCCCCCCCCO 2230a_102515433106_100011201679 [1,0,0,0,0,0|3,0,0]=4 1841 B13R0.336 COCCNCCCCCCCCO 34a_102515433106_100011201679 [1,0,0,0,0,0|3,0,0]=4 1842 B13R0.336 COCCOCCCCCCCCO 34a_100000210237_100000033203 [1,0,0,0,0,0|3,0,0]=4 1843 B13R0.336 COCCSCCCCCCCCO 62a_100000033203_100000233755 [1,0,0,0,0,0|3,0,0]=4 1844 B13R0.336 COCCSCCCCCCCCO 62a_100000233755_100000033203 [1,0,0,0,0,0|3,0,0]=4 1845 B13R0.336 COCNCCCCCCCCCO 2230a_100000078944_100000766300 [1,0,0,0,0,0|3,0,0]=4 1846 B13R0.336 COCSCCCCCCCCCO 62a_100000766300_100009813782 [1,0,0,0,0,0|3,0,0]=4 1847 B13R0.336 COCSCCCCCCCCCO 62a_100009813782_100000766300 [1,0,0,0,0,0|3,0,0]=4 1848 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [1,0,0,0,0,0|2,0,0]=3 1849 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [1,0,0,0,0,0|3,0,0]=4 1850 B13R0.336 CSCCCCOCCCCCCO 34a_100011217163_100000766143 [1,0,0,0,0,0|3,0,0]=4 1851 B13R0.336 CSCCCCOCCCCCCO 7a_100011217163_100000766143 [1,0,0,0,0,0|3,0,0]=4 1852 B13R0.336 CSCCCNCCCCCCCO 2230a_100000749238_100000760002 [1,0,0,0,0,0|3,0,0]=4 1853 B13R0.336 CSCCCOCCCCCCCO 34a_100000690336_100000760002 [1,0,0,0,0,0|3,0,0]=4 1854 B13R0.336 CSCCCOCCCCCCCO 7a_100000690336_100000760002 [1,0,0,0,0,0|3,0,0]=4 1855 B13R0.336 CSCCNCCCCCCCCO 2230a_100020590264_100000033203 [1,0,0,0,0,0|3,0,0]=4 1856 B13R0.336 CSCCNCCCCCCCCO 2230a_102515433106_100000751147 [1,0,0,0,0,0|3,0,0]=4 1857 B13R0.336 CSCCNCCCCCCCCO 34a_102515433106_100000212216 [1,0,0,0,0,0|3,0,0]=4 1858 B13R0.336 CSCCOCCCCCCCCO 34a_100000230434_100000033203 [1,0,0,0,0,0|3,0,0]=4 1859 B13R0.336 CSCCOCCCCCCCCO 7a_100000230434_100000033203 [1,0,0,0,0,0|3,0,0]=4 1860 B13R0.336 CSCCSCCCCCCCCO 62a_100000033203_100000751147 [1,0,0,0,0,0|3,0,0]=4 1861 B13R0.336 CSCCSCCCCCCCCO 62a_100000212216_100000033203 [1,0,0,0,0,0|3,0,0]=4 1862 B13R0.336 CSCNCCCCCCCCCO 2230a_100000078944_100011218213 [1,0,0,0,0,0|3,0,0]=4 1863 B13R0.336 CSCNCCCCCCCCCO 34a_100000078944_100011218213 [1,0,0,0,0,0|3,0,0]=4 1864 B13R0.336 CSCSCCCCCCCCCO 62a_100009813782_100011218213 [1,0,0,0,0,0|3,0,0]=4 1865 B13R0.336 CSCSCCCCCCCCCO 62a_100011218213_100009813782 [1,0,0,0,0,0|3,0,0]=4 1866 B13R0.336 N#CCCCCCCNCCCCO 2230a_100000750430_100009813337 [1,0,0,0,0,0|2,0,1]=4 1867 B13R0.336 N#CCCCCCCSCCCC=O 62a_100009813337_200011292268 [1,0,0,0,0,0|2,0,1]=4 1868 B13R0.336 N#CCCCCCCSCCCC=O 62a_200011292268_100009813337 [1,0,0,0,0,0|2,0,1]=4 1869 B13R0.336 N#CCCCCCCSCCCCO 62a_100000210776_100009813337 [1,0,0,0,0,0|2,0,1]=4 1870 B13R0.336 N#CCCCCCCSCCCCO 62a_100009813337_100000210776 [1,0,0,0,0,0|2,0,1]=4 1871 B13R0.336 N#CCCCCCNCCCCCO 2230a_100000762737_100009813376 [1,0,0,0,0,0|2,0,1]=4 1872 B13R0.336 N#CCCCCCSCCCCC=O 62a_100000139335_100009813376 [1,0,0,0,0,0|2,0,1]=4 1873 B13R0.336 N#CCCCCCSCCCCC=O 62a_100009813376_100000139335 [1,0,0,0,0,0|2,0,1]=4 1874 B13R0.336 N#CCCCCCSCCCCCO 62a_100000746330_100009813376 [1,0,0,0,0,0|2,0,1]=4 1875 B13R0.336 N#CCCCCCSCCCCCO 62a_100009813376_100000746330 [1,0,0,0,0,0|2,0,1]=4 1876 B13R0.336 N#CCCCCNCCCCCCO 2230a_100000686447_100000211819 [1,0,0,0,0,0|2,0,1]=4 1877 B13R0.336 N#CCCCCSCCCCCC=O 62a_100000139337_100000211819 [1,0,0,0,0,0|2,0,1]=4 1878 B13R0.336 N#CCCCCSCCCCCC=O 62a_100011219923_100000139337 [1,0,0,0,0,0|2,0,1]=4 1879 B13R0.336 N#CCCCCSCCCCCCO 62a_100000766143_100000211819 [1,0,0,0,0,0|2,0,1]=4 1880 B13R0.336 N#CCCCCSCCCCCCO 62a_100011219923_100000766143 [1,0,0,0,0,0|2,0,1]=4 1881 B13R0.336 N#CCCCNCCCCCCCO 2230a_100011996573_100000687738 [1,0,0,0,0,0|2,0,1]=4 1882 B13R0.336 N#CCCCSCCCCCCCO 62a_100000687738_100000760002 [1,0,0,0,0,0|2,0,1]=4 1883 B13R0.336 N#CCCCSCCCCCCCO 62a_100000760002_100000687738 [1,0,0,0,0,0|2,0,1]=4 1884 B13R0.336 N#CCCNCCCCCCCCO 2230a_102515433106_100011215226 [1,0,0,0,0,0|2,0,1]=4 1885 B13R0.336 N#CCCSCCCCCCCCO 62a_100000033203_100011215226 [1,0,0,0,0,0|2,0,1]=4 1886 B13R0.336 N#CCCSCCCCCCCCO 62a_100011215226_100000033203 [1,0,0,0,0,0|2,0,1]=4 1887 B13R0.336 N#CCNCCCCCCCCCO 2230a_100000078944_100011215382 [1,0,0,0,0,0|2,0,1]=4 1888 B13R0.336 N#CCSCCCCCCCCCO 62a_100009813782_100011215382 [1,0,0,0,0,0|2,0,1]=4 1889 B13R0.336 N#CCSCCCCCCCCCO 62a_100011215382_100009813782 [1,0,0,0,0,0|2,0,1]=4 1890 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [1,0,0,0,0,0|2,0,0]=3 1891 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [1,0,0,0,0,0|2,0,1]=4 1892 B13R0.336 NCCCCCCCCOCCCO 34a_102515433106_100000230001 [1,0,0,0,0,0|2,0,1]=4 1893 B13R0.336 NCCCCCCCOCCCCO 34a_100011996573_100011216708 [1,0,0,0,0,0|2,0,1]=4 1894 B13R0.336 NCCCCCCOCCCCCO 34a_100000686447_100000746330 [1,0,0,0,0,0|2,0,1]=4 1895 B13R0.336 NCCCCCOCCCCCCO 34a_100000762737_100000766143 [1,0,0,0,0,0|2,0,1]=4 1896 B13R0.336 NCCCCOCCCCCCCO 34a_100000750430_100000760002 [1,0,0,0,0,0|2,0,1]=4 1897 B13R0.336 NCCCOCCCCCCCCO 34a_100000182051_100000033203 [1,0,0,0,0,0|2,0,1]=4 1898 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [1,0,0,0,0,0|2,0,1]=4 1899 B13R0.336 NOCCOCCCCCCCCO 34a_100000700252_100000033203 [1,0,0,0,0,0|3,0,0]=4 1900 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [1,0,0,0,0,0|1,0,0]=2 1901 B13R0.336 O=CCCCCCNCCOCCO 2230a_100000211614_100000139337 [1,0,0,0,0,0|2,0,0]=3 1902 B13R0.336 O=CCCCCCNCCSCCO 2230a_100011219999_100000139337 [1,0,0,0,0,0|2,0,0]=3 1903 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [1,0,0,0,0,0|2,0,0]=3 1904 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [1,0,0,0,0,0|2,0,0]=3 1905 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [1,0,0,0,0,0|2,0,0]=3 1906 B13R0.336 O=CCCCCCOCCOCCBr 7a_100000692535_100000139337 [1,0,0,0,0,0|3,0,0]=4 1907 B13R0.336 O=CCCCCCOCCOCCCl 7a_100011215305_100000139337 [1,0,0,0,0,0|3,0,0]=4 1908 B13R0.336 O=CCCCCCOCCOCCF 7a_200015357709_100000139337 [1,0,0,0,0,0|3,0,0]=4 1909 B13R0.336 O=CCCCCCOCCOCCI 7a_100012149058_100000139337 [1,0,0,0,0,0|3,0,0]=4 1910 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139335_100000139337 [1,0,0,0,0,0|1,0,2]=4 1911 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139337_100000139335 [1,0,0,0,0,0|1,0,2]=4 1912 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [1,0,0,0,0,0|2,0,0]=3 1913 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [1,0,0,0,0,0|2,0,0]=3 1914 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [1,0,0,0,0,0|1,0,0]=2 1915 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [1,0,0,0,0,0|1,0,0]=2 1916 B13R0.336 O=CCCCCCSCCOCCO 62a_100000139337_100011215305 [1,0,0,0,0,0|2,0,0]=3 1917 B13R0.336 O=CCCCCCSCCOCCO 62a_100011215305_100000139337 [1,0,0,0,0,0|2,0,0]=3 1918 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [1,0,0,0,0,0|1,0,0]=2 1919 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [1,0,0,0,0,0|2,0,0]=3 1920 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [1,0,0,0,0,0|2,0,0]=3 1921 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [1,0,0,0,0,0|2,0,0]=3 1922 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [1,0,0,0,0,0|2,0,0]=3 1923 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [1,0,0,0,0,0|2,0,0]=3 1924 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [1,0,0,0,0,0|1,0,0]=2 1925 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [1,0,0,0,0,0|1,0,0]=2 1926 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [1,0,0,0,0,0|1,0,0]=2 1927 B13R0.336 O=CCCCNCCCOCCCO 2230a_100011310245_200011292268 [1,0,0,0,0,0|2,0,0]=3 1928 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [1,0,0,0,0,0|2,0,0]=3 1929 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [1,0,0,0,0,0|1,0,0]=2 1930 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [1,0,0,0,0,0|1,0,0]=2 1931 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [1,0,0,0,0,0|1,0,0]=2 1932 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [1,0,0,0,0,0|1,0,0]=2 1933 B13R0.336 O=CCNCCCOCCOCCO 2230a_100011996194_200015260668 [1,0,0,0,0,0|3,0,0]=4 1934 B13R0.336 O=CCNCCCOCCOCCO 34a_100011996194_200009817547 [1,0,0,0,0,0|3,0,0]=4 1935 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [1,0,0,0,0,0|2,0,0]=3 1936 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [1,0,0,0,0,0|2,0,0]=3 1937 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [1,0,0,0,0,0|2,0,0]=3 1938 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [1,0,0,0,0,0|2,0,0]=3 1939 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [1,0,0,0,0,0|1,0,0]=2 1940 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [1,0,0,0,0,0|1,0,0]=2 1941 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [1,0,0,0,0,0|2,0,1]=4 1942 B13R0.336 OCCCCCCCCCCSCF 62a_100009813290_100015361967 [1,0,0,0,0,0|2,0,1]=4 1943 B13R0.336 OCCCCCCCCCCSCF 62a_100015361967_200000033068 [1,0,0,0,0,0|2,0,1]=4 1944 B13R0.336 OCCCCCCCCCNCCF 2230a_100000078944_100011217306 [1,0,0,0,0,0|2,0,1]=4 1945 B13R0.336 OCCCCCCCCCNCCF 34a_100000078944_100011217306 [1,0,0,0,0,0|2,0,1]=4 1946 B13R0.336 OCCCCCCCCCNCCF 34a_100000724931_100009813782 [1,0,0,0,0,0|2,0,1]=4 1947 B13R0.336 OCCCCCCCCCNCCO 2230a_100000078944_100000211926 [1,0,0,0,0,0|1,0,1]=3 1948 B13R0.336 OCCCCCCCCCNCCO 2230a_100016997473_100009813782 [1,0,0,0,0,0|1,0,1]=3 1949 B13R0.336 OCCCCCCCCCNCCO 34a_100000078944_100000211926 [1,0,0,0,0,0|1,0,1]=3 1950 B13R0.336 OCCCCCCCCCNCCO 34a_100016990907_100009813782 [1,0,0,0,0,0|1,0,1]=3 1951 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [1,0,0,0,0,0|2,0,1]=4 1952 B13R0.336 OCCCCCCCCCSCCF 62a_100009813782_100011217306 [1,0,0,0,0,0|2,0,1]=4 1953 B13R0.336 OCCCCCCCCCSCCF 62a_100011217306_100009813782 [1,0,0,0,0,0|2,0,1]=4 1954 B13R0.336 OCCCCCCCCCSCCO 62a_100000211926_100009813782 [1,0,0,0,0,0|1,0,1]=3 1955 B13R0.336 OCCCCCCCCCSCCO 62a_100009813782_100000211926 [1,0,0,0,0,0|1,0,1]=3 1956 B13R0.336 OCCCCCCCCNCCCF 2230a_100015189416_100000033203 [1,0,0,0,0,0|2,0,1]=4 1957 B13R0.336 OCCCCCCCCNCCCF 2230a_102515433106_100011934791 [1,0,0,0,0,0|2,0,1]=4 1958 B13R0.336 OCCCCCCCCNCCCF 34a_100015189416_100000033203 [1,0,0,0,0,0|2,0,1]=4 1959 B13R0.336 OCCCCCCCCNCCCF 34a_102515433106_100011934791 [1,0,0,0,0,0|2,0,1]=4 1960 B13R0.336 OCCCCCCCCNCCCO 2230a_102515433106_100000230001 [1,0,0,0,0,0|1,0,1]=3 1961 B13R0.336 OCCCCCCCCNCCCO 34a_102515433106_100000230001 [1,0,0,0,0,0|1,0,1]=3 1962 B13R0.336 OCCCCCCCCOCCCBr 34a_100011217188_100000033203 [1,0,0,0,0,0|2,0,1]=4 1963 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [1,0,0,0,0,0|2,0,1]=4 1964 B13R0.336 OCCCCCCCCOCCCF 34a_100000759539_100000033203 [1,0,0,0,0,0|2,0,1]=4 1965 B13R0.336 OCCCCCCCCSCCCF 62a_100000033203_100011934791 [1,0,0,0,0,0|2,0,1]=4 1966 B13R0.336 OCCCCCCCCSCCCF 62a_100011934791_100000033203 [1,0,0,0,0,0|2,0,1]=4 1967 B13R0.336 OCCCCCCCCSCCCO 62a_100000033203_100011215043 [1,0,0,0,0,0|1,0,1]=3 1968 B13R0.336 OCCCCCCCCSCCCO 62a_100011215043_100000033203 [1,0,0,0,0,0|1,0,1]=3 1969 B13R0.336 OCCCCCCCNCCCCF 2230a_100011996573_100000729493 [1,0,0,0,0,0|2,0,1]=4 1970 B13R0.336 OCCCCCCCNCCCCF 34a_100011996573_100000729493 [1,0,0,0,0,0|2,0,1]=4 1971 B13R0.336 OCCCCCCCNCCCCO 2230a_100000750430_100000760002 [1,0,0,0,0,0|1,0,1]=3 1972 B13R0.336 OCCCCCCCNCCCCO 2230a_100011996573_100000210776 [1,0,0,0,0,0|1,0,1]=3 1973 B13R0.336 OCCCCCCCNCCCCO 34a_100000750430_100000760002 [1,0,0,0,0,0|1,0,1]=3 1974 B13R0.336 OCCCCCCCNCCCCO 34a_100011996573_100011216708 [1,0,0,0,0,0|1,0,1]=3 1975 B13R0.336 OCCCCCCCOCCCCBr 34a_100011216708_100000760002 [1,0,0,0,0,0|2,0,1]=4 1976 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [1,0,0,0,0,0|2,0,1]=4 1977 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [1,0,0,0,0,0|2,0,1]=4 1978 B13R0.336 OCCCCCCCOCCCCF 34a_100011995726_100000760002 [1,0,0,0,0,0|2,0,1]=4 1979 B13R0.336 OCCCCCCCOCCCCF 7a_100011995726_100000760002 [1,0,0,0,0,0|2,0,1]=4 1980 B13R0.336 OCCCCCCCOCCCCI 34a_200012148704_100000760002 [1,0,0,0,0,0|2,0,1]=4 1981 B13R0.336 OCCCCCCCSCCCCF 62a_100000729493_100000760002 [1,0,0,0,0,0|2,0,1]=4 1982 B13R0.336 OCCCCCCCSCCCCF 62a_100000760002_100000729493 [1,0,0,0,0,0|2,0,1]=4 1983 B13R0.336 OCCCCCCCSCCCCO 62a_100000210776_100000760002 [1,0,0,0,0,0|1,0,1]=3 1984 B13R0.336 OCCCCCCCSCCCCO 62a_100000760002_100000210776 [1,0,0,0,0,0|1,0,1]=3 1985 B13R0.336 OCCCCCCNCCCCCF 2230a_100000686447_100000729378 [1,0,0,0,0,0|2,0,1]=4 1986 B13R0.336 OCCCCCCNCCCCCF 34a_100000686447_100000729378 [1,0,0,0,0,0|2,0,1]=4 1987 B13R0.336 OCCCCCCNCCCCCO 2230a_100000686447_100000746330 [1,0,0,0,0,0|1,0,1]=3 1988 B13R0.336 OCCCCCCNCCCCCO 2230a_100000762737_100000766143 [1,0,0,0,0,0|1,0,1]=3 1989 B13R0.336 OCCCCCCNCCCCCO 34a_100000686447_100000746330 [1,0,0,0,0,0|1,0,1]=3 1990 B13R0.336 OCCCCCCNCCCCCO 34a_100000762737_100000766143 [1,0,0,0,0,0|1,0,1]=3 1991 B13R0.336 OCCCCCCNCCOCCO 2230a_100000211614_100000766143 [1,0,0,0,0,0|2,0,1]=4 1992 B13R0.336 OCCCCCCNCCOCCO 2230a_100000686447_100011215305 [1,0,0,0,0,0|2,0,1]=4 1993 B13R0.336 OCCCCCCNCCOCCO 34a_100000211614_100000766143 [1,0,0,0,0,0|2,0,1]=4 1994 B13R0.336 OCCCCCCNCCOCCO 34a_100000686447_100000692535 [1,0,0,0,0,0|2,0,1]=4 1995 B13R0.336 OCCCCCCNCCSCCO 2230a_100011219999_100000766143 [1,0,0,0,0,0|2,0,1]=4 1996 B13R0.336 OCCCCCCOCCCCCBr 34a_100000746331_100000766143 [1,0,0,0,0,0|2,0,1]=4 1997 B13R0.336 OCCCCCCOCCCCCBr 7a_100000746331_100000766143 [1,0,0,0,0,0|2,0,1]=4 1998 B13R0.336 OCCCCCCOCCCCCCl 34a_100000746330_100000766143 [1,0,0,0,0,0|2,0,1]=4 1999 B13R0.336 OCCCCCCOCCCCCCl 7a_100000746330_100000766143 [1,0,0,0,0,0|2,0,1]=4 2000 B13R0.336 OCCCCCCOCCCCCI 34a_200012148887_100000766143 [1,0,0,0,0,0|2,0,1]=4 2001 B13R0.336 OCCCCCCOCCCCCI 7a_200012148887_100000766143 [1,0,0,0,0,0|2,0,1]=4 2002 B13R0.336 OCCCCCCSCCCCCF 62a_100000729378_100000766143 [1,0,0,0,0,0|2,0,1]=4 2003 B13R0.336 OCCCCCCSCCCCCF 62a_100000766143_100000729378 [1,0,0,0,0,0|2,0,1]=4 2004 B13R0.336 OCCCCCCSCCCCCO 62a_100000746330_100000766143 [1,0,0,0,0,0|1,0,1]=3 2005 B13R0.336 OCCCCCCSCCCCCO 62a_100000766143_100000746330 [1,0,0,0,0,0|1,0,1]=3 2006 B13R0.336 OCCCCCCSCCOCCO 62a_100000766143_100011215305 [1,0,0,0,0,0|2,0,1]=4 2007 B13R0.336 OCCCCCCSCCOCCO 62a_100011215305_100000766143 [1,0,0,0,0,0|2,0,1]=4 2008 B13R0.336 OCCCCCNCCCCCCF 2230a_100000762737_100015922095 [1,0,0,0,0,0|2,0,1]=4 2009 B13R0.336 OCCCCCNCCCCCCF 34a_100000762737_100015922095 [1,0,0,0,0,0|2,0,1]=4 2010 B13R0.336 OCCCCCOCCCCCCBr 34a_100011215345_100000746330 [1,0,0,0,0,0|2,0,1]=4 2011 B13R0.336 OCCCCCOCCCCCCBr 7a_100011215345_100000746330 [1,0,0,0,0,0|2,0,1]=4 2012 B13R0.336 OCCCCCOCCCCCCCl 34a_100000766143_100000746330 [1,0,0,0,0,0|2,0,1]=4 2013 B13R0.336 OCCCCCOCCCCCCCl 7a_100000766143_100000746330 [1,0,0,0,0,0|2,0,1]=4 2014 B13R0.336 OCCCCCOCCCCCCF 34a_100000732779_100000746330 [1,0,0,0,0,0|2,0,1]=4 2015 B13R0.336 OCCCCCOCCCCCCF 7a_100000732779_100000746330 [1,0,0,0,0,0|2,0,1]=4 2016 B13R0.336 OCCCCCSCCCCCCF 62a_100000746330_100015922095 [1,0,0,0,0,0|2,0,1]=4 2017 B13R0.336 OCCCCCSCCCCCCF 62a_100015922095_100000746330 [1,0,0,0,0,0|2,0,1]=4 2018 B13R0.336 OCCCCNCCCOCCCO 2230a_100011310245_100000210776 [1,0,0,0,0,0|2,0,1]=4 2019 B13R0.336 OCCCCNCCCOCCCO 34a_100011310245_100011216708 [1,0,0,0,0,0|2,0,1]=4 2020 B13R0.336 OCCCCOCCCCCCCBr 34a_100000760002_100011216708 [1,0,0,0,0,0|2,0,1]=4 2021 B13R0.336 OCCCCOCCCCCCCBr 7a_100000760002_100000210776 [1,0,0,0,0,0|2,0,1]=4 2022 B13R0.336 OCCCOCCCCCCCCBr 34a_100009813846_100000230001 [1,0,0,0,0,0|2,0,1]=4 2023 B13R0.336 OCCCOCCCCCCCCBr 7a_100009813846_100011215043 [1,0,0,0,0,0|2,0,1]=4 2024 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [1,0,0,0,0,0|2,0,1]=4 2025 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [1,0,0,0,0,0|2,0,1]=4 2026 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [1,0,0,0,0,0|2,0,1]=4 2027 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [1,0,0,0,0,0|2,0,1]=4 2028 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [1,0,0,0,0,0|2,0,1]=4 2029 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [1,0,0,0,0,0|2,0,1]=4 2030 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [1,0,0,0,0,0|3,0,0]=4 2031 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [1,0,0,0,0,0|3,0,0]=4 2032 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [1,0,0,0,0,0|2,0,0]=3 2033 B15R0.69 C#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012276617 [0,1,0,0,0,0|2,0,1]=4 2034 B15R0.69 C=C(C)CN(C)CCCCCCCCCO 2230a_100000225649_100009813782 [0,1,0,0,0,0|3,0,0]=4 2035 B15R0.69 C=C(C)CN(C)CCCCCCCCCO 269982a_100000225649_100009813782 [0,1,0,0,0,0|3,0,0]=4 2036 B15R0.69 C=CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011933949 [0,1,0,0,0,0|2,0,1]=4 2037 B15R0.69 C=CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215473 [0,1,0,0,0,0|2,0,1]=4 2038 B15R0.69 CC(=O)OC(C)SCCCCCCCCO 62a_100000033203_100009818208 [0,1,0,0,0,0|3,0,0]=4 2039 B15R0.69 CC(=O)OC(C)SCCCCCCCCO 62a_100009818208_100000033203 [0,1,0,0,0,0|3,0,0]=4 2040 B15R0.69 CC(O)CN(C)CCCCCCCCCO 2230a_100000227577_100009813782 [0,1,0,0,0,0|2,0,1]=4 2041 B15R0.69 CC(O)CN(C)CCCCCCCCCO 269982a_100000227577_100009813782 [0,1,0,0,0,0|2,0,1]=4 2042 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100000210375_100000187820 [0,1,0,0,0,0|2,0,1]=4 2043 B15R0.69 CCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210319 [0,1,0,0,0,0|2,0,1]=4 2044 B15R0.69 CCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210375_100020667443 [0,1,0,0,0,0|1,0,2]=4 2045 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000207566_100000747473 [0,1,0,0,0,0|3,0,0]=4 2046 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210320 [0,1,0,0,0,0|3,0,0]=4 2047 B15R0.69 CCCCCCCCCCN(C)CC(=O)N 269982a_100000207566_100000187820 [0,1,0,0,0,0|3,0,0]=4 2048 B15R0.69 CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210320 [0,1,0,0,0,0|2,0,0]=3 2049 B15R0.69 CCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000207566_100020667443 [0,1,0,0,0,0|2,0,1]=4 2050 B15R0.69 CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210759 [0,1,0,0,0,0|2,0,0]=3 2051 B15R0.69 CN(CCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813782 [0,1,0,0,0,0|2,0,0]=3 2052 B15R0.69 CN(CCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813782 [0,1,0,0,0,0|1,0,0]=2 2053 B15R0.69 COCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011998445 [0,1,0,0,0,0|3,0,0]=4 2054 B15R0.69 C[C@@H](O)CC(=O)CCCCCCCCCO 1458a_100011933948_100009813782 [0,1,0,0,0,0|1,0,2]=4 2055 B15R0.69 N#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009813337 [0,1,0,0,0,0|2,0,1]=4 2056 B15R0.69 NC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000187820 [0,1,0,0,0,0|2,0,1]=4 2057 B15R0.69 NC(=O)CC(=O)CCCCCCCCCO 1458a_100134613110_100009813782 [0,1,0,0,0,0|1,0,1]=3 2058 B15R0.69 NC(=O)CC(=O)NCCCCCCCCO 240690a_102515433106_100134613110 [0,1,0,0,0,0|2,0,1]=4 2059 B15R0.69 O=C(O)CC(O)CNCCCCCCCO 269956a_100011218706_100000760002 [0,1,0,0,0,0|1,0,0]=2 2060 B15R0.69 O=C([O-])CC(=O)CCCCCCCCCF 1458a_200009909015_100020667443 [0,1,0,0,0,0|1,0,2]=4 2061 B15R0.81 C#CC(=O)CCCCCCCCCCC=C 1458a_100000211873_100011093070 [0,1,0,0,0,0|2,0,1]=4 2062 B15R0.81 C#CC(=O)CCCCCCCCCCCC 1458a_100000211873_100000759014 [0,1,0,0,0,0|2,0,0]=3 2063 B15R0.81 C#CC(=O)CCCCCCCCCCCO 1458a_100000211873_100009812471 [0,1,0,0,0,0|1,0,0]=2 2064 B15R0.81 C#CC(O)CCCCCNCCCCCO 2230a_100000762737_200010408556 [0,1,0,0,0,0|2,0,1]=4 2065 B15R0.81 C#CC(O)CCCCCNCCCCCO 34a_100000762737_200010408556 [0,1,0,0,0,0|2,0,1]=4 2066 B15R0.81 C#CC(O)CCCCCSCCCCCO 62a_100000746330_200010408556 [0,1,0,0,0,0|2,0,1]=4 2067 B15R0.81 C#CC(O)CCCCCSCCCCCO 62a_200010408556_100000746330 [0,1,0,0,0,0|2,0,1]=4 2068 B15R0.81 C#CCCCCCCCCOCC(=O)OC 34a_100000065265_100000747449 [0,1,0,0,0,0|2,0,1]=4 2069 B15R0.81 C#CCCCCCCCCOCC(=O)OC 7a_100000065265_100000747449 [0,1,0,0,0,0|2,0,1]=4 2070 B15R0.81 C#CCCCCCCCOCCC(=O)OC 34a_100000054614_100000742370 [0,1,0,0,0,0|2,0,1]=4 2071 B15R0.81 C#CCCCCCCCOCCC(=O)OC 7a_100000054614_100000204255 [0,1,0,0,0,0|2,0,1]=4 2072 B15R0.81 C#CCCCCCCCSCCC(=O)OC 62a_100000204255_100153394163 [0,1,0,0,0,0|2,0,1]=4 2073 B15R0.81 C#CCCCCCCCSCCC(=O)OC 62a_100153394163_100000204255 [0,1,0,0,0,0|2,0,1]=4 2074 B15R0.81 C#CCCCCCCOCCCC(=O)OC 34a_100011217361_100000742333 [0,1,0,0,0,0|2,0,1]=4 2075 B15R0.81 C#CCCCCCCOCCCC(=O)OC 7a_100011217361_100011218270 [0,1,0,0,0,0|2,0,1]=4 2076 B15R0.81 C#CCCCCCCSCCCC(=O)OC 62a_100011218270_100012276617 [0,1,0,0,0,0|2,0,1]=4 2077 B15R0.81 C#CCCCCCCSCCCC(=O)OC 62a_100012276617_100011218270 [0,1,0,0,0,0|2,0,1]=4 2078 B15R0.81 C#CCCCCCOCCCCC(=O)OC 34a_100000059025_100012094781 [0,1,0,0,0,0|2,0,1]=4 2079 B15R0.81 C#CCCCCCOCCCCC(=O)OC 34a_100000766912_100000204269 [0,1,0,0,0,0|2,0,1]=4 2080 B15R0.81 C#CCCCCCOCCCCC(=O)OC 7a_100000059025_100012094781 [0,1,0,0,0,0|2,0,1]=4 2081 B15R0.81 C#CCCCCCOCCCCC(=O)OC 7a_100000766912_100000204269 [0,1,0,0,0,0|2,0,1]=4 2082 B15R0.81 C#CCCCCCSCCCCC(=O)OC 62a_100000204269_100012094781 [0,1,0,0,0,0|2,0,1]=4 2083 B15R0.81 C#CCCCCCSCCCCC(=O)OC 62a_100012094781_100000204269 [0,1,0,0,0,0|2,0,1]=4 2084 B15R0.81 C#CCCCCNCCCCCC(=O)OC 2230a_100000706060_100009816466 [0,1,0,0,0,0|2,0,1]=4 2085 B15R0.81 C#CCCCCNCCCCCC(=O)OC 34a_100000706060_100009816466 [0,1,0,0,0,0|2,0,1]=4 2086 B15R0.81 C#CCCCCOCCCCCC(=O)OC 34a_100000074720_100010269958 [0,1,0,0,0,0|2,0,1]=4 2087 B15R0.81 C#CCCCCOCCCCCC(=O)OC 34a_100000766709_100009816466 [0,1,0,0,0,0|2,0,1]=4 2088 B15R0.81 C#CCCCCOCCCCCC(=O)OC 7a_100000074720_100010269958 [0,1,0,0,0,0|2,0,1]=4 2089 B15R0.81 C#CCCCCOCCCCCC(=O)OC 7a_100000766709_100009816466 [0,1,0,0,0,0|2,0,1]=4 2090 B15R0.81 C#CCCCCSCCCCCC(=O)OC 62a_100009816466_100010269958 [0,1,0,0,0,0|2,0,1]=4 2091 B15R0.81 C#CCCCCSCCCCCC(=O)OC 62a_100010269958_100009816466 [0,1,0,0,0,0|2,0,1]=4 2092 B15R0.81 C#CCCCNCCCCCCC(=O)OC 34a_100000718082_100009815986 [0,1,0,0,0,0|2,0,1]=4 2093 B15R0.81 C#CCCCOCCCCCCC(=O)OC 34a_100000215630_100009815986 [0,1,0,0,0,0|2,0,1]=4 2094 B15R0.81 C#CCCCOCCCCCCC(=O)OC 34a_100009863599_100000695029 [0,1,0,0,0,0|2,0,1]=4 2095 B15R0.81 C#CCCCOCCCCCCC(=O)OC 7a_100000215630_100009815986 [0,1,0,0,0,0|2,0,1]=4 2096 B15R0.81 C#CCCCOCCCCCCC(=O)OC 7a_100009863599_100011215417 [0,1,0,0,0,0|2,0,1]=4 2097 B15R0.81 C#CCCCSCCCCCCC(=O)OC 62a_100009815986_100011215417 [0,1,0,0,0,0|2,0,1]=4 2098 B15R0.81 C#CCCCSCCCCCCC(=O)OC 62a_100011215417_100009815986 [0,1,0,0,0,0|2,0,1]=4 2099 B15R0.81 C#CCCNCCCCCCCC(=O)OC 34a_100000755551_100010004213 [0,1,0,0,0,0|2,0,1]=4 2100 B15R0.81 C#CCCOCCCCCCCC(=O)OC 34a_100011022521_100000688953 [0,1,0,0,0,0|2,0,1]=4 2101 B15R0.81 C#CCCOCCCCCCCC(=O)OC 34a_100011215631_100010004213 [0,1,0,0,0,0|2,0,1]=4 2102 B15R0.81 C#CCCOCCCCCCCC(=O)OC 7a_100011022521_100000688953 [0,1,0,0,0,0|2,0,1]=4 2103 B15R0.81 C#CCCSCCCCCCCC(=O)OC 62a_100000688953_100010004213 [0,1,0,0,0,0|2,0,1]=4 2104 B15R0.81 C#CCCSCCCCCCCC(=O)OC 62a_100010004213_100000688953 [0,1,0,0,0,0|2,0,1]=4 2105 B15R0.81 C#CCNCCCCCCCCC(=O)OC 34a_100000212058_100010282707 [0,1,0,0,0,0|2,0,1]=4 2106 B15R0.81 C#CCOCCCCCCCCC(=O)OC 34a_100000035544_100000184674 [0,1,0,0,0,0|2,0,1]=4 2107 B15R0.81 C#CCOCCCCCCCCC(=O)OC 34a_100000210247_100010282707 [0,1,0,0,0,0|2,0,1]=4 2108 B15R0.81 C#CCOCCCCCCCCC(=O)OC 7a_100000035544_100000038162 [0,1,0,0,0,0|2,0,1]=4 2109 B15R0.81 C#CCSCCCCCCCCC(=O)OC 62a_100000038162_100010282707 [0,1,0,0,0,0|2,0,1]=4 2110 B15R0.81 C=C(C#N)CNCCCCCCCCCO 2230a_100000078944_100000694840 [0,1,0,0,0,0|3,0,0]=4 2111 B15R0.81 C=C(C#N)CNCCCCCCCCCO 34a_100000078944_100000694840 [0,1,0,0,0,0|3,0,0]=4 2112 B15R0.81 C=C(C#N)CSCCCCCCCCCO 62a_100009813782_100000694840 [0,1,0,0,0,0|3,0,0]=4 2113 B15R0.81 C=CC(=O)CCCCCCCCCCCO 1458a_100000185746_100009812471 [0,1,0,0,0,0|1,0,0]=2 2114 B15R0.81 C=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000185746 [0,1,0,0,0,0|3,0,0]=4 2115 B15R0.81 C=CC(=O)NCCCCCCCCCCC 240690a_200011215754_200121576911 [0,1,0,0,0,0|3,0,0]=4 2116 B15R0.81 C=CC(=O)NCCCCCCCCCCO 240690a_100000066964_200121576911 [0,1,0,0,0,0|2,0,0]=3 2117 B15R0.81 C=CC(=O)NCCCCOCCCCCO 34a_100014118770_100000746330 [0,1,0,0,0,0|3,0,0]=4 2118 B15R0.81 C=CC(=O)NCCNCCCCCCCO 2230a_114873766552_100000760002 [0,1,0,0,0,0|3,0,0]=4 2119 B15R0.81 C=CC(=O)NCCOCCCCCCCO 34a_100011304386_100000760002 [0,1,0,0,0,0|3,0,0]=4 2120 B15R0.81 C=CC(=O)OCCCCCCSCCCO 62a_100009894100_100011215043 [0,1,0,0,0,0|3,0,0]=4 2121 B15R0.81 C=CC(=O)OCCCCCCSCCCO 62a_100011215043_100009894100 [0,1,0,0,0,0|3,0,0]=4 2122 B15R0.81 C=CC(=O)OCCCCCOCCCCO 7a_200011023508_100000210776 [0,1,0,0,0,0|3,0,0]=4 2123 B15R0.81 C=CC(=O)OCCNCCCCCCCO 2230a_100011996573_100009813456 [0,1,0,0,0,0|3,0,0]=4 2124 B15R0.81 C=CC(=O)OCCNCCCCCCCO 34a_100011996573_100009813456 [0,1,0,0,0,0|3,0,0]=4 2125 B15R0.81 C=CC(=O)OCCSCCCCCCCO 62a_100000760002_100009813456 [0,1,0,0,0,0|3,0,0]=4 2126 B15R0.81 C=CC(=O)OCCSCCCCCCCO 62a_100009813456_100000760002 [0,1,0,0,0,0|3,0,0]=4 2127 B15R0.81 C=CC(O)CNCCCCCCCCCO 2230a_100000078944_100000730141 [0,1,0,0,0,0|2,0,1]=4 2128 B15R0.81 C=CC(O)CNCCCCCCCCCO 34a_100000078944_100000730141 [0,1,0,0,0,0|2,0,1]=4 2129 B15R0.81 C=CC(O)CSCCCCCCCCCO 62a_100000730141_100009813782 [0,1,0,0,0,0|2,0,1]=4 2130 B15R0.81 C=CC(O)CSCCCCCCCCCO 62a_100009813782_100000730141 [0,1,0,0,0,0|2,0,1]=4 2131 B15R0.81 C=CCCCCCCCCCCC(=O)C=C 1458a_100000185746_100011093070 [0,1,0,0,0,0|2,0,1]=4 2132 B15R0.81 C=CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011093070 [0,1,0,0,0,0|1,0,1]=3 2133 B15R0.81 C=CCCCCCCCCCNC(=O)CO 240690a_100000081888_100000210174 [0,1,0,0,0,0|2,0,1]=4 2134 B15R0.81 C=CCCCCCCCCCNC(=O)CO 527a_100000081888_100000210174 [0,1,0,0,0,0|2,0,1]=4 2135 B15R0.81 C=CCCCCCCCCOCC(=O)OC 34a_100011215194_100000747449 [0,1,0,0,0,0|2,0,1]=4 2136 B15R0.81 C=CCCCCCCCCOCC(=O)OC 7a_100011215194_100000747449 [0,1,0,0,0,0|2,0,1]=4 2137 B15R0.81 C=CCCCCCCCCSCC(=O)OC 62a_100000747449_100011933949 [0,1,0,0,0,0|2,0,1]=4 2138 B15R0.81 C=CCCCCCCCCSCC(=O)OC 62a_100011933949_100000747449 [0,1,0,0,0,0|2,0,1]=4 2139 B15R0.81 C=CCCCCCCCOCCC(=O)OC 34a_100000730831_100000742370 [0,1,0,0,0,0|2,0,1]=4 2140 B15R0.81 C=CCCCCCCCOCCC(=O)OC 7a_100000730831_100000204255 [0,1,0,0,0,0|2,0,1]=4 2141 B15R0.81 C=CCCCCCCCSCCC(=O)OC 62a_100000204255_100012355270 [0,1,0,0,0,0|2,0,1]=4 2142 B15R0.81 C=CCCCCCCCSCCC(=O)OC 62a_100012355270_100000204255 [0,1,0,0,0,0|2,0,1]=4 2143 B15R0.81 C=CCCCCCCOCCCC(=O)OC 34a_200011216477_100000742333 [0,1,0,0,0,0|2,0,1]=4 2144 B15R0.81 C=CCCCCCCOCCCC(=O)OC 7a_200011216477_100011218270 [0,1,0,0,0,0|2,0,1]=4 2145 B15R0.81 C=CCCCCCCSCCCC(=O)OC 62a_100011215473_100011218270 [0,1,0,0,0,0|2,0,1]=4 2146 B15R0.81 C=CCCCCCCSCCCC(=O)OC 62a_100011218270_100011215473 [0,1,0,0,0,0|2,0,1]=4 2147 B15R0.81 C=CCCCCCOCCCCC(=O)OC 34a_100000059025_100000700193 [0,1,0,0,0,0|2,0,1]=4 2148 B15R0.81 C=CCCCCCOCCCCC(=O)OC 34a_100011216702_100000204269 [0,1,0,0,0,0|2,0,1]=4 2149 B15R0.81 C=CCCCCCOCCCCC(=O)OC 7a_100000059025_100000700193 [0,1,0,0,0,0|2,0,1]=4 2150 B15R0.81 C=CCCCCCOCCCCC(=O)OC 7a_100011216702_100000204269 [0,1,0,0,0,0|2,0,1]=4 2151 B15R0.81 C=CCCCCCSCCCCC(=O)OC 62a_100000204269_100000700193 [0,1,0,0,0,0|2,0,1]=4 2152 B15R0.81 C=CCCCCCSCCCCC(=O)OC 62a_100000700193_100000204269 [0,1,0,0,0,0|2,0,1]=4 2153 B15R0.81 C=CCCCCNCCCCCC(=O)OC 2230a_100000703577_100009816466 [0,1,0,0,0,0|2,0,1]=4 2154 B15R0.81 C=CCCCCNCCCCCC(=O)OC 34a_100000703577_100009816466 [0,1,0,0,0,0|2,0,1]=4 2155 B15R0.81 C=CCCCCOCCCCCC(=O)OC 34a_100000074720_100011215482 [0,1,0,0,0,0|2,0,1]=4 2156 B15R0.81 C=CCCCCOCCCCCC(=O)OC 34a_100000766645_100009816466 [0,1,0,0,0,0|2,0,1]=4 2157 B15R0.81 C=CCCCCOCCCCCC(=O)OC 7a_100000074720_100011215482 [0,1,0,0,0,0|2,0,1]=4 2158 B15R0.81 C=CCCCCOCCCCCC(=O)OC 7a_100000766645_100009816466 [0,1,0,0,0,0|2,0,1]=4 2159 B15R0.81 C=CCCCCSCCCCCC(=O)OC 62a_100009816466_100011215482 [0,1,0,0,0,0|2,0,1]=4 2160 B15R0.81 C=CCCCCSCCCCCC(=O)OC 62a_100011215482_100009816466 [0,1,0,0,0,0|2,0,1]=4 2161 B15R0.81 C=CCCCNCCCCCCC(=O)OC 2230a_100000700776_100009815986 [0,1,0,0,0,0|2,0,1]=4 2162 B15R0.81 C=CCCCNCCCCCCC(=O)OC 34a_100000700776_100009815986 [0,1,0,0,0,0|2,0,1]=4 2163 B15R0.81 C=CCCCOCCCCCCC(=O)OC 34a_100000758997_100009815986 [0,1,0,0,0,0|2,0,1]=4 2164 B15R0.81 C=CCCCOCCCCCCC(=O)OC 34a_100009863599_100000757094 [0,1,0,0,0,0|2,0,1]=4 2165 B15R0.81 C=CCCCOCCCCCCC(=O)OC 7a_100000758997_100009815986 [0,1,0,0,0,0|2,0,1]=4 2166 B15R0.81 C=CCCCOCCCCCCC(=O)OC 7a_100009863599_100000757094 [0,1,0,0,0,0|2,0,1]=4 2167 B15R0.81 C=CCCCSCCCCCCC(=O)OC 62a_100009815986_100000757094 [0,1,0,0,0,0|2,0,1]=4 2168 B15R0.81 C=CCCCSCCCCCCC(=O)OC 62a_100011713584_100009815986 [0,1,0,0,0,0|2,0,1]=4 2169 B15R0.81 C=CCCNCCCCCCCC(=O)OC 2230a_100015191253_100010004213 [0,1,0,0,0,0|2,0,1]=4 2170 B15R0.81 C=CCCOCCCCCCCC(=O)OC 34a_100011022521_100000754431 [0,1,0,0,0,0|2,0,1]=4 2171 B15R0.81 C=CCCOCCCCCCCC(=O)OC 34a_100011205117_100010004213 [0,1,0,0,0,0|2,0,1]=4 2172 B15R0.81 C=CCCOCCCCCCCC(=O)OC 7a_100011022521_100000754431 [0,1,0,0,0,0|2,0,1]=4 2173 B15R0.81 C=CCCSCCCCCCCC(=O)OC 62a_100000754431_100010004213 [0,1,0,0,0,0|2,0,1]=4 2174 B15R0.81 C=CCCSCCCCCCCC(=O)OC 62a_100010004213_100000754431 [0,1,0,0,0,0|2,0,1]=4 2175 B15R0.81 C=CCNCCCCCCCCC(=O)OC 2230a_100020586998_100010282707 [0,1,0,0,0,0|2,0,1]=4 2176 B15R0.81 C=CCOCCCCCCCCC(=O)OC 34a_100000035544_100015514636 [0,1,0,0,0,0|2,0,1]=4 2177 B15R0.81 C=CCOCCCCCCCCC(=O)OC 34a_200000210373_100010282707 [0,1,0,0,0,0|2,0,1]=4 2178 B15R0.81 C=CCOCCCCCCCCC(=O)OC 7a_100000035544_100015514636 [0,1,0,0,0,0|2,0,1]=4 2179 B15R0.81 C=CCSCCCCCCCCC(=O)OC 62a_100000210623_100010282707 [0,1,0,0,0,0|2,0,1]=4 2180 B15R0.81 C=CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210623 [0,1,0,0,0,0|2,0,1]=4 2181 B15R0.81 CC(CO)CCNCCCCCCCCO 2230a_106354213184_100000033203 [0,1,0,0,0,0|2,0,1]=4 2182 B15R0.81 CC(CO)CCNCCCCCCCCO 34a_106354213184_100000033203 [0,1,0,0,0,0|2,0,1]=4 2183 B15R0.81 CC(CO)CNCCCCCCCCCO 34a_100000744482_100009813782 [0,1,0,0,0,0|2,0,1]=4 2184 B15R0.81 CC(CO)NCCCCCCCCCCO 2230a_100000066964_100012180447 [0,1,0,0,0,0|2,0,1]=4 2185 B15R0.81 CC(CO)NCCCCCCCCCCO 34a_100000066964_100012180447 [0,1,0,0,0,0|2,0,1]=4 2186 B15R0.81 CC(CO)SCCCCCCCCCCO 62a_100012180447_200000033068 [0,1,0,0,0,0|2,0,1]=4 2187 B15R0.81 CCC(=O)CCCCCCCCCCCO 1458a_100000210414_100009812471 [0,1,0,0,0,0|1,0,0]=2 2188 B15R0.81 CCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747405 [0,1,0,0,0,0|3,0,0]=4 2189 B15R0.81 CCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747405 [0,1,0,0,0,0|3,0,0]=4 2190 B15R0.81 CCC(=O)COCCCCCCCCCO 34a_100000725409_100009813782 [0,1,0,0,0,0|2,0,0]=3 2191 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100000747405_100009813782 [0,1,0,0,0,0|2,0,0]=3 2192 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747405 [0,1,0,0,0,0|2,0,0]=3 2193 B15R0.81 CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210414 [0,1,0,0,0,0|2,0,0]=3 2194 B15R0.81 CCC(=O)NCCNCCCCCCCO 34a_100132302217_100000760002 [0,1,0,0,0,0|3,0,0]=4 2195 B15R0.81 CCC(=O)NCCOCCCCCCCO 34a_200000158885_100000760002 [0,1,0,0,0,0|3,0,0]=4 2196 B15R0.81 CCC(=O)NCCOCCCCCCCO 7a_200000158885_100000760002 [0,1,0,0,0,0|3,0,0]=4 2197 B15R0.81 CCC(=O)OCCOCCCCCCCO 7a_200000031056_100000760002 [0,1,0,0,0,0|3,0,0]=4 2198 B15R0.81 CCC(O)CNCCCCCCCCCO 2230a_100000078944_100011218378 [0,1,0,0,0,0|2,0,1]=4 2199 B15R0.81 CCC(O)CNCCCCCCCCCO 2230a_100011218483_100009813782 [0,1,0,0,0,0|2,0,1]=4 2200 B15R0.81 CCC(O)CNCCCCCCCCCO 34a_100000078944_100011218378 [0,1,0,0,0,0|2,0,1]=4 2201 B15R0.81 CCC(O)CSCCCCCCCCCO 62a_100009813782_100011218378 [0,1,0,0,0,0|2,0,1]=4 2202 B15R0.81 CCC(O)CSCCCCCCCCCO 62a_100011218378_100009813782 [0,1,0,0,0,0|2,0,1]=4 2203 B15R0.81 CCCCC#CCCCCCCC(=O)CO 1458a_100000210174_200000043322 [0,1,0,0,0,0|1,0,2]=4 2204 B15R0.81 CCCCCCCCCCCCC(=O)CF 1458a_100011215791_100015361967 [0,1,0,0,0,0|2,0,0]=3 2205 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [0,1,0,0,0,0|1,0,0]=2 2206 B15R0.81 CCCCCCCCCCCCC(=O)NC 11a_106832991635_100011215791 [0,1,0,0,0,0|2,0,0]=3 2207 B15R0.81 CCCCCCCCCCCCC(=O)NC 1626a_100102657272_100011215791 [0,1,0,0,0,0|2,0,0]=3 2208 B15R0.81 CCCCCCCCCCCCC(=O)NC 240690a_100102657272_100011215791 [0,1,0,0,0,0|2,0,0]=3 2209 B15R0.81 CCCCCCCCCCCNC(=O)CC 11a_200011215754_100000210414 [0,1,0,0,0,0|3,0,0]=4 2210 B15R0.81 CCCCCCCCCCCNC(=O)CC 1626a_200011215754_100000210414 [0,1,0,0,0,0|3,0,0]=4 2211 B15R0.81 CCCCCCCCCCCNC(=O)CC 240690a_200011215754_100000210414 [0,1,0,0,0,0|3,0,0]=4 2212 B15R0.81 CCCCCCCCCCCNC(=O)CC 527a_200011215754_100000210414 [0,1,0,0,0,0|3,0,0]=4 2213 B15R0.81 CCCCCCCCCCCNC(=O)CO 240690a_200011215754_100000210174 [0,1,0,0,0,0|2,0,0]=3 2214 B15R0.81 CCCCCCCCCCCNC(=O)CO 527a_200011215754_100000210174 [0,1,0,0,0,0|2,0,0]=3 2215 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_100102657272_200011215754 [0,1,0,0,0,0|3,0,0]=4 2216 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_200011215754_106832991635 [0,1,0,0,0,0|3,0,0]=4 2217 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_100102657272_200011215754 [0,1,0,0,0,0|3,0,0]=4 2218 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_200011215754_100102657272 [0,1,0,0,0,0|3,0,0]=4 2219 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_106832991638_200011215754 [0,1,0,0,0,0|3,0,0]=4 2220 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_200011215754_100102657272 [0,1,0,0,0,0|3,0,0]=4 2221 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000684558_100000183359 [0,1,0,0,0,0|3,0,0]=4 2222 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210320 [0,1,0,0,0,0|3,0,0]=4 2223 B15R0.81 CCCCCCCCCCNCC(=O)NC 34a_100000684558_100000183359 [0,1,0,0,0,0|3,0,0]=4 2224 B15R0.81 CCCCCCCCCCNCC(=O)OC 2230a_100000684558_100000747449 [0,1,0,0,0,0|2,0,0]=3 2225 B15R0.81 CCCCCCCCCCNCC(=O)OC 34a_100000684558_100000747449 [0,1,0,0,0,0|2,0,0]=3 2226 B15R0.81 CCCCCCCCCCOCC(=O)CC 34a_100000725409_100000210320 [0,1,0,0,0,0|3,0,0]=4 2227 B15R0.81 CCCCCCCCCCOCC(=O)CC 7a_100000210711_100000747405 [0,1,0,0,0,0|3,0,0]=4 2228 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000210711_100000183359 [0,1,0,0,0,0|3,0,0]=4 2229 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210320 [0,1,0,0,0,0|3,0,0]=4 2230 B15R0.81 CCCCCCCCCCOCC(=O)NC 7a_100000210711_100000183359 [0,1,0,0,0,0|3,0,0]=4 2231 B15R0.81 CCCCCCCCCCOCC(=O)OC 34a_100000210711_100000747449 [0,1,0,0,0,0|2,0,0]=3 2232 B15R0.81 CCCCCCCCCCOCC(=O)OC 7a_100000210711_100000747449 [0,1,0,0,0,0|2,0,0]=3 2233 B15R0.81 CCCCCCCCCCSCC(=O)CC 62a_100000747405_100000210320 [0,1,0,0,0,0|3,0,0]=4 2234 B15R0.81 CCCCCCCCCCSCC(=O)NC 62a_100000183359_100000210320 [0,1,0,0,0,0|3,0,0]=4 2235 B15R0.81 CCCCCCCCCCSCC(=O)OC 62a_100000747449_100000210320 [0,1,0,0,0,0|2,0,0]=3 2236 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000212291_100000737683 [0,1,0,0,0,0|3,0,0]=4 2237 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011214924 [0,1,0,0,0,0|3,0,0]=4 2238 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000212291_100012179268 [0,1,0,0,0,0|3,0,0]=4 2239 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000738227_100011214924 [0,1,0,0,0,0|3,0,0]=4 2240 B15R0.81 CCCCCCCCCNCCC(=O)OC 2230a_100000212291_100000204255 [0,1,0,0,0,0|2,0,0]=3 2241 B15R0.81 CCCCCCCCCNCCC(=O)OC 34a_100000212291_100000742370 [0,1,0,0,0,0|2,0,0]=3 2242 B15R0.81 CCCCCCCCCOCCC(=NO)N 34a_100000749954_100011214924 [0,1,0,0,0,0|3,0,0]=4 2243 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000210712_100012179268 [0,1,0,0,0,0|3,0,0]=4 2244 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000754576_100011214924 [0,1,0,0,0,0|3,0,0]=4 2245 B15R0.81 CCCCCCCCCOCCC(=O)NC 7a_100000210712_100000737683 [0,1,0,0,0,0|3,0,0]=4 2246 B15R0.81 CCCCCCCCCOCCC(=O)OC 34a_100000210712_100000742370 [0,1,0,0,0,0|2,0,0]=3 2247 B15R0.81 CCCCCCCCCOCCC(=O)OC 7a_100000210712_100000204255 [0,1,0,0,0,0|2,0,0]=3 2248 B15R0.81 CCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210670 [0,1,0,0,0,0|3,0,0]=4 2249 B15R0.81 CCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210670 [0,1,0,0,0,0|2,0,0]=3 2250 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000229939_100000741757 [0,1,0,0,0,0|3,0,0]=4 2251 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210759 [0,1,0,0,0,0|3,0,0]=4 2252 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000229939_100000741757 [0,1,0,0,0,0|3,0,0]=4 2253 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210759 [0,1,0,0,0,0|3,0,0]=4 2254 B15R0.81 CCCCCCCCNCCCC(=O)OC 2230a_100000229939_100011218270 [0,1,0,0,0,0|2,0,0]=3 2255 B15R0.81 CCCCCCCCNCCCC(=O)OC 34a_100000229939_100000742333 [0,1,0,0,0,0|2,0,0]=3 2256 B15R0.81 CCCCCCCCOCCCC(=O)NC 34a_100000210232_100000741757 [0,1,0,0,0,0|3,0,0]=4 2257 B15R0.81 CCCCCCCCOCCCC(=O)NC 7a_100000210232_100000741757 [0,1,0,0,0,0|3,0,0]=4 2258 B15R0.81 CCCCCCCCOCCCC(=O)NN 34a_100000211488_100000210759 [0,1,0,0,0,0|3,0,0]=4 2259 B15R0.81 CCCCCCCCOCCCC(=O)OC 34a_100000210232_100000742333 [0,1,0,0,0,0|2,0,0]=3 2260 B15R0.81 CCCCCCCCOCCCC(=O)OC 7a_100000210232_100011218270 [0,1,0,0,0,0|2,0,0]=3 2261 B15R0.81 CCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210759 [0,1,0,0,0,0|3,0,0]=4 2262 B15R0.81 CCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210759 [0,1,0,0,0,0|3,0,0]=4 2263 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000210759_100000741757 [0,1,0,0,0,0|3,0,0]=4 2264 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210317 [0,1,0,0,0,0|3,0,0]=4 2265 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100000210759_100011218270 [0,1,0,0,0,0|2,0,0]=3 2266 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210317 [0,1,0,0,0,0|2,0,0]=3 2267 B15R0.81 CCCCCCCNCCCCC(=O)OC 2230a_100000229938_100000204269 [0,1,0,0,0,0|2,0,0]=3 2268 B15R0.81 CCCCCCCNCCOCC(=O)OC 2230a_100000229938_100000090808 [0,1,0,0,0,0|3,0,0]=4 2269 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210614 [0,1,0,0,0,0|2,0,0]=3 2270 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000210272_100000204269 [0,1,0,0,0,0|2,0,0]=3 2271 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210614 [0,1,0,0,0,0|2,0,0]=3 2272 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000210272_100000204269 [0,1,0,0,0,0|2,0,0]=3 2273 B15R0.81 CCCCCCCOCCOCC(=O)OC 34a_100000210272_100000090808 [0,1,0,0,0,0|3,0,0]=4 2274 B15R0.81 CCCCCCCOCCOCC(=O)OC 7a_100000210272_100000090808 [0,1,0,0,0,0|3,0,0]=4 2275 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210316 [0,1,0,0,0,0|2,0,0]=3 2276 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000210614_100000204269 [0,1,0,0,0,0|2,0,0]=3 2277 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210316 [0,1,0,0,0,0|3,0,0]=4 2278 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000210614_100000090808 [0,1,0,0,0,0|3,0,0]=4 2279 B15R0.81 CCCCCCNCCCCCC(=O)OC 2230a_100000210581_100009816466 [0,1,0,0,0,0|2,0,0]=3 2280 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210314 [0,1,0,0,0,0|2,0,0]=3 2281 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000210259_100009816466 [0,1,0,0,0,0|2,0,0]=3 2282 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210314 [0,1,0,0,0,0|2,0,0]=3 2283 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000210259_100009816466 [0,1,0,0,0,0|2,0,0]=3 2284 B15R0.81 CCCCCCOCCOCCC(=O)OC 34a_100000691444_100000742370 [0,1,0,0,0,0|3,0,0]=4 2285 B15R0.81 CCCCCCOCCOCCC(=O)OC 7a_100000691444_100000204255 [0,1,0,0,0,0|3,0,0]=4 2286 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100000210314_100009816466 [0,1,0,0,0,0|2,0,0]=3 2287 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210757 [0,1,0,0,0,0|2,0,0]=3 2288 B15R0.81 CCCCCNCCCCCCC(=O)OC 2230a_100000209983_100009815986 [0,1,0,0,0,0|2,0,0]=3 2289 B15R0.81 CCCCCNCCOCCCC(=O)OC 34a_100000224656_100000742333 [0,1,0,0,0,0|3,0,0]=4 2290 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100000210253_100009815986 [0,1,0,0,0,0|2,0,0]=3 2291 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100009863599_100000718602 [0,1,0,0,0,0|2,0,0]=3 2292 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100000210253_100009815986 [0,1,0,0,0,0|2,0,0]=3 2293 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210326 [0,1,0,0,0,0|2,0,0]=3 2294 B15R0.81 CCCCCOCCOCCCC(=O)OC 34a_100011215259_100000742333 [0,1,0,0,0,0|3,0,0]=4 2295 B15R0.81 CCCCCOCCOCCCC(=O)OC 7a_100011215259_100011218270 [0,1,0,0,0,0|3,0,0]=4 2296 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100000210326_100009815986 [0,1,0,0,0,0|2,0,0]=3 2297 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210326 [0,1,0,0,0,0|2,0,0]=3 2298 B15R0.81 CCCCNCCCCCCCC(=O)OC 2230a_100000102301_100010004213 [0,1,0,0,0,0|2,0,0]=3 2299 B15R0.81 CCCCNCCCCCCCC(=O)OC 7a_106832991798_100010004213 [0,1,0,0,0,0|2,0,0]=3 2300 B15R0.81 CCCCNCCCCOCCC(=O)OC 34a_200011216965_100000742370 [0,1,0,0,0,0|3,0,0]=4 2301 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100000210227_100010004213 [0,1,0,0,0,0|2,0,0]=3 2302 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210210 [0,1,0,0,0,0|2,0,0]=3 2303 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100000210227_100010004213 [0,1,0,0,0,0|2,0,0]=3 2304 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210211 [0,1,0,0,0,0|2,0,0]=3 2305 B15R0.81 CCCCOCCCCOCCC(=O)OC 34a_200000760531_100000742370 [0,1,0,0,0,0|3,0,0]=4 2306 B15R0.81 CCCCOCCCCOCCC(=O)OC 7a_200000760531_100000204255 [0,1,0,0,0,0|3,0,0]=4 2307 B15R0.81 CCCCOCCCNCCCC(=O)OC 2230a_200000211371_100011218270 [0,1,0,0,0,0|3,0,0]=4 2308 B15R0.81 CCCCOCCCNCCCC(=O)OC 34a_200000211371_100000742333 [0,1,0,0,0,0|3,0,0]=4 2309 B15R0.81 CCCCOCCCOCCCC(=O)OC 34a_200011215613_100000742333 [0,1,0,0,0,0|3,0,0]=4 2310 B15R0.81 CCCCOCCCOCCCC(=O)OC 7a_200011215613_100011218270 [0,1,0,0,0,0|3,0,0]=4 2311 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000059025_100000743108 [0,1,0,0,0,0|3,0,0]=4 2312 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000210238_100000204269 [0,1,0,0,0,0|3,0,0]=4 2313 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000059025_100000743108 [0,1,0,0,0,0|3,0,0]=4 2314 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000210238_100000204269 [0,1,0,0,0,0|3,0,0]=4 2315 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000204269_100000743108 [0,1,0,0,0,0|3,0,0]=4 2316 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000743108_100000204269 [0,1,0,0,0,0|3,0,0]=4 2317 B15R0.81 CCCCOCOCCCCCC(=O)OC 34a_100000074720_100011995733 [0,1,0,0,0,0|3,0,0]=4 2318 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100009816466_100011995733 [0,1,0,0,0,0|3,0,0]=4 2319 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100011995733_100009816466 [0,1,0,0,0,0|3,0,0]=4 2320 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100000210211_100010004213 [0,1,0,0,0,0|2,0,0]=3 2321 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210210 [0,1,0,0,0,0|2,0,0]=3 2322 B15R0.81 CCCCSCCNCCCCC(=O)OC 2230a_100025743550_100000204269 [0,1,0,0,0,0|3,0,0]=4 2323 B15R0.81 CCCCSCCOCCCCC(=O)OC 34a_200000230436_100000204269 [0,1,0,0,0,0|3,0,0]=4 2324 B15R0.81 CCCCSCCOCCCCC(=O)OC 7a_200000230436_100000204269 [0,1,0,0,0,0|3,0,0]=4 2325 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210303 [0,1,0,0,0,0|2,0,0]=3 2326 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000210258_100010282707 [0,1,0,0,0,0|2,0,0]=3 2327 B15R0.81 CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210303 [0,1,0,0,0,0|2,0,0]=3 2328 B15R0.81 CCCOCCCNCCCCC(=O)OC 2230a_100011217757_100000204269 [0,1,0,0,0,0|3,0,0]=4 2329 B15R0.81 CCCOCCCNCCCCC(=O)OC 34a_100011217757_100000204269 [0,1,0,0,0,0|3,0,0]=4 2330 B15R0.81 CCCOCCNCCCCCC(=O)OC 2230a_100161115042_100009816466 [0,1,0,0,0,0|3,0,0]=4 2331 B15R0.81 CCCOCCNCCCCCC(=O)OC 34a_100161115042_100009816466 [0,1,0,0,0,0|3,0,0]=4 2332 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000074720_100011215938 [0,1,0,0,0,0|3,0,0]=4 2333 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000752267_100009816466 [0,1,0,0,0,0|3,0,0]=4 2334 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000074720_100011215938 [0,1,0,0,0,0|3,0,0]=4 2335 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000752267_100009816466 [0,1,0,0,0,0|3,0,0]=4 2336 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100009816466_100011215938 [0,1,0,0,0,0|3,0,0]=4 2337 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100011215938_100009816466 [0,1,0,0,0,0|3,0,0]=4 2338 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100000210303_100010282707 [0,1,0,0,0,0|2,0,0]=3 2339 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210303 [0,1,0,0,0,0|2,0,0]=3 2340 B15R0.81 CCCSCCNCCCCCC(=O)OC 2230a_100020603323_100009816466 [0,1,0,0,0,0|3,0,0]=4 2341 B15R0.81 CCCSCCOCCCCCC(=O)OC 34a_200000230433_100009816466 [0,1,0,0,0,0|3,0,0]=4 2342 B15R0.81 CCCSCCOCCCCCC(=O)OC 7a_200000230433_100009816466 [0,1,0,0,0,0|3,0,0]=4 2343 B15R0.81 CCN(C)CCCCCCCCCCCO 2230a_100000225621_100009812471 [0,1,0,0,0,0|3,0,0]=4 2344 B15R0.81 CCN(C)CCCCCCCCCCCO 269982a_100000225621_100009812471 [0,1,0,0,0,0|3,0,0]=4 2345 B15R0.81 CCNCCCCCCCCCC(=O)OC 2230a_100015525214_100009813843 [0,1,0,0,0,0|2,0,0]=3 2346 B15R0.81 CCOCCCCCCCCCC(=O)OC 34a_100121572206_100009813843 [0,1,0,0,0,0|2,0,0]=3 2347 B15R0.81 CCOCCCNCCCCCC(=O)OC 2230a_100000210961_100009816466 [0,1,0,0,0,0|3,0,0]=4 2348 B15R0.81 CCOCCCNCCCCCC(=O)OC 34a_100000210961_100009816466 [0,1,0,0,0,0|3,0,0]=4 2349 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000074720_100012232248 [0,1,0,0,0,0|3,0,0]=4 2350 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000757476_100009816466 [0,1,0,0,0,0|3,0,0]=4 2351 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000074720_100012232248 [0,1,0,0,0,0|3,0,0]=4 2352 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000757476_100009816466 [0,1,0,0,0,0|3,0,0]=4 2353 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100009816466_100012232248 [0,1,0,0,0,0|3,0,0]=4 2354 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100012232248_100009816466 [0,1,0,0,0,0|3,0,0]=4 2355 B15R0.81 CCOCCNCCCCCCC(=O)OC 2230a_102516460346_100009815986 [0,1,0,0,0,0|3,0,0]=4 2356 B15R0.81 CCOCCNCCCCCCC(=O)OC 34a_102516460346_100009815986 [0,1,0,0,0,0|3,0,0]=4 2357 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100000210136_100009815986 [0,1,0,0,0,0|3,0,0]=4 2358 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100009863599_100000210147 [0,1,0,0,0,0|3,0,0]=4 2359 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100000210136_100009815986 [0,1,0,0,0,0|3,0,0]=4 2360 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215890 [0,1,0,0,0,0|3,0,0]=4 2361 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100000210147_100009815986 [0,1,0,0,0,0|3,0,0]=4 2362 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215890 [0,1,0,0,0,0|3,0,0]=4 2363 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100000739092_100010004213 [0,1,0,0,0,0|3,0,0]=4 2364 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100010004213_100000739092 [0,1,0,0,0,0|3,0,0]=4 2365 B15R0.81 CCSCCCCCCCCCC(=O)OC 62a_100000210202_100009813843 [0,1,0,0,0,0|2,0,0]=3 2366 B15R0.81 CCSCCCOCCCCCC(=O)OC 34a_100011216438_100009816466 [0,1,0,0,0,0|3,0,0]=4 2367 B15R0.81 CCSCCCOCCCCCC(=O)OC 7a_100011216438_100009816466 [0,1,0,0,0,0|3,0,0]=4 2368 B15R0.81 CCSCCNCCCCCCC(=O)OC 2230a_100000106463_100009815986 [0,1,0,0,0,0|3,0,0]=4 2369 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100000212035_100009815986 [0,1,0,0,0,0|3,0,0]=4 2370 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100009863599_100000757381 [0,1,0,0,0,0|3,0,0]=4 2371 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100000212035_100009815986 [0,1,0,0,0,0|3,0,0]=4 2372 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100009863599_100000757381 [0,1,0,0,0,0|3,0,0]=4 2373 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100000757381_100009815986 [0,1,0,0,0,0|3,0,0]=4 2374 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100009815986_100000757381 [0,1,0,0,0,0|3,0,0]=4 2375 B15R0.81 CNC(=O)CCCCCCCCCCCO 240690a_100102657272_100000037981 [0,1,0,0,0,0|1,0,0]=2 2376 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100000740002_100000760002 [0,1,0,0,0,0|2,0,0]=3 2377 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100011996573_100000741757 [0,1,0,0,0,0|2,0,0]=3 2378 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100000740002_100000760002 [0,1,0,0,0,0|2,0,0]=3 2379 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100011996573_100000741757 [0,1,0,0,0,0|2,0,0]=3 2380 B15R0.81 CNC(=O)CCCNCCCOCCCO 2230a_100011310245_100000741757 [0,1,0,0,0,0|3,0,0]=4 2381 B15R0.81 CNC(=O)CCCNCCCOCCCO 34a_100011310245_100000741757 [0,1,0,0,0,0|3,0,0]=4 2382 B15R0.81 CNC(=O)CCCOCCCCCCCBr 34a_100000760002_100000741757 [0,1,0,0,0,0|3,0,0]=4 2383 B15R0.81 CNC(=O)CCCOCCCCCCCBr 7a_100000760002_100000741757 [0,1,0,0,0,0|3,0,0]=4 2384 B15R0.81 CNC(=O)CCCOCCCCCCCN 34a_100011996573_100000741757 [0,1,0,0,0,0|3,0,0]=4 2385 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000741757_100000760002 [0,1,0,0,0,0|2,0,0]=3 2386 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000760002_100000741757 [0,1,0,0,0,0|2,0,0]=3 2387 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_100000738227_100000033203 [0,1,0,0,0,0|2,0,0]=3 2388 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_102515433106_100000737683 [0,1,0,0,0,0|2,0,0]=3 2389 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_100000738227_100000033203 [0,1,0,0,0,0|2,0,0]=3 2390 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_102515433106_100012179268 [0,1,0,0,0,0|2,0,0]=3 2391 B15R0.81 CNC(=O)CCOCCCCCCCCBr 34a_100009813846_100012179268 [0,1,0,0,0,0|3,0,0]=4 2392 B15R0.81 CNC(=O)CCOCCCCCCCCBr 7a_100009813846_100000737683 [0,1,0,0,0,0|3,0,0]=4 2393 B15R0.81 CNC(=O)CCOCCCCCCCCCl 34a_100000033203_100012179268 [0,1,0,0,0,0|3,0,0]=4 2394 B15R0.81 CNC(=O)CCOCCCCCCCCCl 7a_100000033203_100000737683 [0,1,0,0,0,0|3,0,0]=4 2395 B15R0.81 CNC(=O)CCOCCCCCCCCN 34a_102515433106_100012179268 [0,1,0,0,0,0|3,0,0]=4 2396 B15R0.81 CNC(=O)CCOCCCCCCCCO 34a_100000754576_100000033203 [0,1,0,0,0,0|2,0,0]=3 2397 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000033203_100000737683 [0,1,0,0,0,0|2,0,0]=3 2398 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000737683_100000033203 [0,1,0,0,0,0|2,0,0]=3 2399 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183359 [0,1,0,0,0,0|2,0,0]=3 2400 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000693194_100009813782 [0,1,0,0,0,0|2,0,0]=3 2401 B15R0.81 CNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183359 [0,1,0,0,0,0|2,0,0]=3 2402 B15R0.81 CNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183359 [0,1,0,0,0,0|3,0,0]=4 2403 B15R0.81 CNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183359 [0,1,0,0,0,0|3,0,0]=4 2404 B15R0.81 CNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183359 [0,1,0,0,0,0|3,0,0]=4 2405 B15R0.81 CNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183359 [0,1,0,0,0,0|3,0,0]=4 2406 B15R0.81 CNC(=O)COCCCCCCCCCN 34a_100000078944_100000183359 [0,1,0,0,0,0|3,0,0]=4 2407 B15R0.81 CNC(=O)COCCCCCCCCCO 34a_100000750040_100009813782 [0,1,0,0,0,0|2,0,0]=3 2408 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100000183359_100009813782 [0,1,0,0,0,0|2,0,0]=3 2409 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183359 [0,1,0,0,0,0|2,0,0]=3 2410 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100000066964_106832991635 [0,1,0,0,0,0|2,0,0]=3 2411 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100102657272_100000066964 [0,1,0,0,0,0|2,0,0]=3 2412 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100000066964_100102657272 [0,1,0,0,0,0|2,0,0]=3 2413 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100102657272_100000066964 [0,1,0,0,0,0|2,0,0]=3 2414 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_100000066964_100102657272 [0,1,0,0,0,0|2,0,0]=3 2415 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_106832991638_100000066964 [0,1,0,0,0,0|2,0,0]=3 2416 B15R0.81 CNC(=O)NCCNCCCCCCCO 34a_100015205895_100000760002 [0,1,0,0,0,0|3,0,0]=4 2417 B15R0.81 CNC(=O)OCCNCCCCCCCO 34a_100011996573_200011997002 [0,1,0,0,0,0|3,0,0]=4 2418 B15R0.81 CNC(=O)OCCSCCCCCCCO 62a_100000760002_200011997002 [0,1,0,0,0,0|3,0,0]=4 2419 B15R0.81 CNC(=O)OCCSCCCCCCCO 62a_200011997002_100000760002 [0,1,0,0,0,0|3,0,0]=4 2420 B15R0.81 CNCCCCCCCCCCC(=O)OC 2230a_106832991635_100009812566 [0,1,0,0,0,0|2,0,0]=3 2421 B15R0.81 CNCCCCCCCCCCC(=O)OC 34a_100102657272_100009812566 [0,1,0,0,0,0|2,0,0]=3 2422 B15R0.81 CNCCCCCCCCCCC(=O)OC 7a_106832991635_100009812566 [0,1,0,0,0,0|2,0,0]=3 2423 B15R0.81 CNCCCCCOCCCCC(=O)OC 34a_100000722520_100000204269 [0,1,0,0,0,0|3,0,0]=4 2424 B15R0.81 CNCCCOCCCCCCC(=O)OC 34a_100000213112_100009815986 [0,1,0,0,0,0|3,0,0]=4 2425 B15R0.81 COC(=O)/C=C/CNCCCCCCCO 2230a_100011996573_100000742655 [0,1,0,0,0,0|1,0,2]=4 2426 B15R0.81 COC(=O)/C=C/CNCCCCCCCO 34a_100011996573_100000742655 [0,1,0,0,0,0|1,0,2]=4 2427 B15R0.81 COC(=O)/C=C/CSCCCCCCCO 62a_100000742655_100000760002 [0,1,0,0,0,0|1,0,2]=4 2428 B15R0.81 COC(=O)/C=C/CSCCCCCCCO 62a_100000760002_100000742655 [0,1,0,0,0,0|1,0,2]=4 2429 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 34a_100011003013_200025704644 [0,1,0,0,0,0|2,0,0]=3 2430 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 7a_100011003013_200025704644 [0,1,0,0,0,0|2,0,0]=3 2431 B15R0.81 COC(=O)CCCCCCCCCCSC 62a_200000210301_100009812566 [0,1,0,0,0,0|2,0,0]=3 2432 B15R0.81 COC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009812566 [0,1,0,0,0,0|2,0,0]=3 2433 B15R0.81 COC(=O)CCCCCCCCCSCF 62a_100015361967_100009813843 [0,1,0,0,0,0|2,0,0]=3 2434 B15R0.81 COC(=O)CCCCCCCCNCCF 34a_100000724931_100010282707 [0,1,0,0,0,0|2,0,0]=3 2435 B15R0.81 COC(=O)CCCCCCCCNCCO 2230a_100016997473_100010282707 [0,1,0,0,0,0|1,0,0]=2 2436 B15R0.81 COC(=O)CCCCCCCCNCCO 34a_100016990907_100010282707 [0,1,0,0,0,0|1,0,0]=2 2437 B15R0.81 COC(=O)CCCCCCCCOCC#N 7a_100000035544_100011215382 [0,1,0,0,0,0|2,0,1]=4 2438 B15R0.81 COC(=O)CCCCCCCCOCC=O 34a_100000035544_200009817547 [0,1,0,0,0,0|1,0,2]=4 2439 B15R0.81 COC(=O)CCCCCCCCOCC=O 7a_100000035544_200015260668 [0,1,0,0,0,0|1,0,2]=4 2440 B15R0.81 COC(=O)CCCCCCCCOCCBr 34a_100000211926_100010282707 [0,1,0,0,0,0|2,0,0]=3 2441 B15R0.81 COC(=O)CCCCCCCCOCCF 34a_100000035544_100011217306 [0,1,0,0,0,0|2,0,0]=3 2442 B15R0.81 COC(=O)CCCCCCCCOCCF 7a_100000035544_100011217306 [0,1,0,0,0,0|2,0,0]=3 2443 B15R0.81 COC(=O)CCCCCCCCOCCN 34a_100000210304_100010282707 [0,1,0,0,0,0|2,0,0]=3 2444 B15R0.81 COC(=O)CCCCCCCCOCCO 34a_100000035544_100000211926 [0,1,0,0,0,0|1,0,0]=2 2445 B15R0.81 COC(=O)CCCCCCCCOCCO 7a_100000035544_100000211926 [0,1,0,0,0,0|1,0,0]=2 2446 B15R0.81 COC(=O)CCCCCCCCOCSC 34a_100000035544_100011218213 [0,1,0,0,0,0|3,0,0]=4 2447 B15R0.81 COC(=O)CCCCCCCCSCC#N 62a_100010282707_100011215382 [0,1,0,0,0,0|2,0,1]=4 2448 B15R0.81 COC(=O)CCCCCCCCSCC#N 62a_100011215382_100010282707 [0,1,0,0,0,0|2,0,1]=4 2449 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_100010282707_200015260668 [0,1,0,0,0,0|1,0,2]=4 2450 B15R0.81 COC(=O)CCCCCCCCSCC=O 62a_200015260668_100010282707 [0,1,0,0,0,0|1,0,2]=4 2451 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100010282707_100011217306 [0,1,0,0,0,0|2,0,0]=3 2452 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100011217306_100010282707 [0,1,0,0,0,0|2,0,0]=3 2453 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100000211926_100010282707 [0,1,0,0,0,0|1,0,0]=2 2454 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100010282707_100000211926 [0,1,0,0,0,0|1,0,0]=2 2455 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100010282707_100011218213 [0,1,0,0,0,0|3,0,0]=4 2456 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100011218213_100010282707 [0,1,0,0,0,0|3,0,0]=4 2457 B15R0.81 COC(=O)CCCCCCCNCCCF 2230a_100015189416_100010004213 [0,1,0,0,0,0|2,0,0]=3 2458 B15R0.81 COC(=O)CCCCCCCNCCCF 34a_100015189416_100010004213 [0,1,0,0,0,0|2,0,0]=3 2459 B15R0.81 COC(=O)CCCCCCCNCCSC 2230a_100020590264_100010004213 [0,1,0,0,0,0|3,0,0]=4 2460 B15R0.81 COC(=O)CCCCCCCOCCC#N 7a_100011022521_100000184422 [0,1,0,0,0,0|2,0,1]=4 2461 B15R0.81 COC(=O)CCCCCCCOCCCBr 34a_100011217188_100010004213 [0,1,0,0,0,0|2,0,0]=3 2462 B15R0.81 COC(=O)CCCCCCCOCCCCl 34a_100000230001_100010004213 [0,1,0,0,0,0|2,0,0]=3 2463 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100000759539_100010004213 [0,1,0,0,0,0|2,0,0]=3 2464 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100011022521_100011934791 [0,1,0,0,0,0|2,0,0]=3 2465 B15R0.81 COC(=O)CCCCCCCOCCCF 7a_100011022521_100011934791 [0,1,0,0,0,0|2,0,0]=3 2466 B15R0.81 COC(=O)CCCCCCCOCCCN 34a_100000182051_100010004213 [0,1,0,0,0,0|2,0,0]=3 2467 B15R0.81 COC(=O)CCCCCCCOCCCO 34a_100011022521_100000230001 [0,1,0,0,0,0|1,0,0]=2 2468 B15R0.81 COC(=O)CCCCCCCOCCCO 7a_100011022521_100011215043 [0,1,0,0,0,0|1,0,0]=2 2469 B15R0.81 COC(=O)CCCCCCCOCCON 34a_100000700252_100010004213 [0,1,0,0,0,0|3,0,0]=4 2470 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100000230434_100010004213 [0,1,0,0,0,0|3,0,0]=4 2471 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100011022521_100000212216 [0,1,0,0,0,0|3,0,0]=4 2472 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100000230434_100010004213 [0,1,0,0,0,0|3,0,0]=4 2473 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100011022521_100000212216 [0,1,0,0,0,0|3,0,0]=4 2474 B15R0.81 COC(=O)CCCCCCCSCCC#N 62a_100010004213_100011215226 [0,1,0,0,0,0|2,0,1]=4 2475 B15R0.81 COC(=O)CCCCCCCSCCC#N 62a_100011215226_100010004213 [0,1,0,0,0,0|2,0,1]=4 2476 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100010004213_100011934791 [0,1,0,0,0,0|2,0,0]=3 2477 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100011934791_100010004213 [0,1,0,0,0,0|2,0,0]=3 2478 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100010004213_100011215043 [0,1,0,0,0,0|1,0,0]=2 2479 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100011215043_100010004213 [0,1,0,0,0,0|1,0,0]=2 2480 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100000212216_100010004213 [0,1,0,0,0,0|3,0,0]=4 2481 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100010004213_100000751147 [0,1,0,0,0,0|3,0,0]=4 2482 B15R0.81 COC(=O)CCCCCCNCCCCO 2230a_100000750430_100009815986 [0,1,0,0,0,0|1,0,0]=2 2483 B15R0.81 COC(=O)CCCCCCNCCCCO 34a_100000750430_100009815986 [0,1,0,0,0,0|1,0,0]=2 2484 B15R0.81 COC(=O)CCCCCCNCCCSC 2230a_100000749238_100009815986 [0,1,0,0,0,0|3,0,0]=4 2485 B15R0.81 COC(=O)CCCCCCOCC#CCO 34a_100009863599_200000047223 [0,1,0,0,0,0|1,0,2]=4 2486 B15R0.81 COC(=O)CCCCCCOCC#CCO 7a_100009863599_200000047223 [0,1,0,0,0,0|1,0,2]=4 2487 B15R0.81 COC(=O)CCCCCCOCCCC#N 7a_100009863599_100000687738 [0,1,0,0,0,0|2,0,1]=4 2488 B15R0.81 COC(=O)CCCCCCOCCCC=O 7a_100009863599_200011292268 [0,1,0,0,0,0|1,0,2]=4 2489 B15R0.81 COC(=O)CCCCCCOCCCCBr 34a_100011216708_100009815986 [0,1,0,0,0,0|2,0,0]=3 2490 B15R0.81 COC(=O)CCCCCCOCCCCCl 34a_100000210776_100009815986 [0,1,0,0,0,0|2,0,0]=3 2491 B15R0.81 COC(=O)CCCCCCOCCCCCl 7a_100000210776_100009815986 [0,1,0,0,0,0|2,0,0]=3 2492 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100009863599_100000729493 [0,1,0,0,0,0|2,0,0]=3 2493 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100011995726_100009815986 [0,1,0,0,0,0|2,0,0]=3 2494 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100009863599_100000729493 [0,1,0,0,0,0|2,0,0]=3 2495 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100011995726_100009815986 [0,1,0,0,0,0|2,0,0]=3 2496 B15R0.81 COC(=O)CCCCCCOCCCCI 34a_200012148704_100009815986 [0,1,0,0,0,0|2,0,0]=3 2497 B15R0.81 COC(=O)CCCCCCOCCCCN 34a_100000750430_100009815986 [0,1,0,0,0,0|2,0,0]=3 2498 B15R0.81 COC(=O)CCCCCCOCCCCO 34a_100009863599_100011216708 [0,1,0,0,0,0|1,0,0]=2 2499 B15R0.81 COC(=O)CCCCCCOCCCCO 7a_100009863599_100000210776 [0,1,0,0,0,0|1,0,0]=2 2500 B15R0.81 COC(=O)CCCCCCOCCCSC 34a_100000690336_100009815986 [0,1,0,0,0,0|3,0,0]=4 2501 B15R0.81 COC(=O)CCCCCCOCCCSC 7a_100000690336_100009815986 [0,1,0,0,0,0|3,0,0]=4 2502 B15R0.81 COC(=O)CCCCCCSCC#CCO 62a_100009815986_200000047223 [0,1,0,0,0,0|1,0,2]=4 2503 B15R0.81 COC(=O)CCCCCCSCC#CCO 62a_200000047223_100009815986 [0,1,0,0,0,0|1,0,2]=4 2504 B15R0.81 COC(=O)CCCCCCSCCCC#N 62a_100000687738_100009815986 [0,1,0,0,0,0|2,0,1]=4 2505 B15R0.81 COC(=O)CCCCCCSCCCC#N 62a_100009815986_100000687738 [0,1,0,0,0,0|2,0,1]=4 2506 B15R0.81 COC(=O)CCCCCCSCCCC=O 62a_100009815986_200011292268 [0,1,0,0,0,0|1,0,2]=4 2507 B15R0.81 COC(=O)CCCCCCSCCCC=O 62a_200011292268_100009815986 [0,1,0,0,0,0|1,0,2]=4 2508 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100000729493_100009815986 [0,1,0,0,0,0|2,0,0]=3 2509 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100009815986_100000729493 [0,1,0,0,0,0|2,0,0]=3 2510 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100000210776_100009815986 [0,1,0,0,0,0|1,0,0]=2 2511 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100009815986_100000210776 [0,1,0,0,0,0|1,0,0]=2 2512 B15R0.81 COC(=O)CCCCCNCCCCCO 2230a_100000762737_100009816466 [0,1,0,0,0,0|1,0,0]=2 2513 B15R0.81 COC(=O)CCCCCNCCCCCO 34a_100000762737_100009816466 [0,1,0,0,0,0|1,0,0]=2 2514 B15R0.81 COC(=O)CCCCCNCCOCCO 2230a_100000211614_100009816466 [0,1,0,0,0,0|2,0,0]=3 2515 B15R0.81 COC(=O)CCCCCNCCOCCO 34a_100000211614_100009816466 [0,1,0,0,0,0|2,0,0]=3 2516 B15R0.81 COC(=O)CCCCCNCCSCCO 2230a_100011219999_100009816466 [0,1,0,0,0,0|2,0,0]=3 2517 B15R0.81 COC(=O)CCCCCOCCCCC#N 7a_100000074720_100000211819 [0,1,0,0,0,0|2,0,1]=4 2518 B15R0.81 COC(=O)CCCCCOCCCCC=O 7a_100000074720_100000139335 [0,1,0,0,0,0|1,0,2]=4 2519 B15R0.81 COC(=O)CCCCCOCCCCCBr 34a_100000746331_100009816466 [0,1,0,0,0,0|2,0,0]=3 2520 B15R0.81 COC(=O)CCCCCOCCCCCBr 7a_100000746331_100009816466 [0,1,0,0,0,0|2,0,0]=3 2521 B15R0.81 COC(=O)CCCCCOCCCCCCl 34a_100000746330_100009816466 [0,1,0,0,0,0|2,0,0]=3 2522 B15R0.81 COC(=O)CCCCCOCCCCCCl 7a_100000746330_100009816466 [0,1,0,0,0,0|2,0,0]=3 2523 B15R0.81 COC(=O)CCCCCOCCCCCF 34a_100000074720_100000729378 [0,1,0,0,0,0|2,0,0]=3 2524 B15R0.81 COC(=O)CCCCCOCCCCCF 7a_100000074720_100000729378 [0,1,0,0,0,0|2,0,0]=3 2525 B15R0.81 COC(=O)CCCCCOCCCCCI 34a_200012148887_100009816466 [0,1,0,0,0,0|2,0,0]=3 2526 B15R0.81 COC(=O)CCCCCOCCCCCI 7a_200012148887_100009816466 [0,1,0,0,0,0|2,0,0]=3 2527 B15R0.81 COC(=O)CCCCCOCCCCCN 34a_100000762737_100009816466 [0,1,0,0,0,0|2,0,0]=3 2528 B15R0.81 COC(=O)CCCCCOCCCCCO 34a_100000074720_100000746330 [0,1,0,0,0,0|1,0,0]=2 2529 B15R0.81 COC(=O)CCCCCOCCCCCO 7a_100000074720_100000746330 [0,1,0,0,0,0|1,0,0]=2 2530 B15R0.81 COC(=O)CCCCCOCCCCSC 34a_100011217163_100009816466 [0,1,0,0,0,0|3,0,0]=4 2531 B15R0.81 COC(=O)CCCCCOCCCCSC 7a_100011217163_100009816466 [0,1,0,0,0,0|3,0,0]=4 2532 B15R0.81 COC(=O)CCCCCOCCOCCBr 34a_100000692535_100009816466 [0,1,0,0,0,0|3,0,0]=4 2533 B15R0.81 COC(=O)CCCCCOCCOCCBr 7a_100000692535_100009816466 [0,1,0,0,0,0|3,0,0]=4 2534 B15R0.81 COC(=O)CCCCCOCCOCCCl 34a_100011215305_100009816466 [0,1,0,0,0,0|3,0,0]=4 2535 B15R0.81 COC(=O)CCCCCOCCOCCCl 7a_100011215305_100009816466 [0,1,0,0,0,0|3,0,0]=4 2536 B15R0.81 COC(=O)CCCCCOCCOCCF 34a_200015357709_100009816466 [0,1,0,0,0,0|3,0,0]=4 2537 B15R0.81 COC(=O)CCCCCOCCOCCF 7a_200015357709_100009816466 [0,1,0,0,0,0|3,0,0]=4 2538 B15R0.81 COC(=O)CCCCCOCCOCCI 34a_100012149058_100009816466 [0,1,0,0,0,0|3,0,0]=4 2539 B15R0.81 COC(=O)CCCCCOCCOCCI 7a_100012149058_100009816466 [0,1,0,0,0,0|3,0,0]=4 2540 B15R0.81 COC(=O)CCCCCOCCOCCN 34a_100000211614_100009816466 [0,1,0,0,0,0|3,0,0]=4 2541 B15R0.81 COC(=O)CCCCCOCCOCCO 34a_100000074720_100000692535 [0,1,0,0,0,0|2,0,0]=3 2542 B15R0.81 COC(=O)CCCCCOCCOCCO 7a_100000074720_100011215305 [0,1,0,0,0,0|2,0,0]=3 2543 B15R0.81 COC(=O)CCCCCSCCCCC#N 62a_100009816466_100000211819 [0,1,0,0,0,0|2,0,1]=4 2544 B15R0.81 COC(=O)CCCCCSCCCCC#N 62a_100011219923_100009816466 [0,1,0,0,0,0|2,0,1]=4 2545 B15R0.81 COC(=O)CCCCCSCCCCC=O 62a_100000139335_100009816466 [0,1,0,0,0,0|1,0,2]=4 2546 B15R0.81 COC(=O)CCCCCSCCCCC=O 62a_100009816466_100000139335 [0,1,0,0,0,0|1,0,2]=4 2547 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100000729378_100009816466 [0,1,0,0,0,0|2,0,0]=3 2548 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100009816466_100000729378 [0,1,0,0,0,0|2,0,0]=3 2549 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100000746330_100009816466 [0,1,0,0,0,0|1,0,0]=2 2550 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100009816466_100000746330 [0,1,0,0,0,0|1,0,0]=2 2551 B15R0.81 COC(=O)CCCCCSCCOCCO 62a_100009816466_100011215305 [0,1,0,0,0,0|2,0,0]=3 2552 B15R0.81 COC(=O)CCCCCSCCOCCO 62a_100011215305_100009816466 [0,1,0,0,0,0|2,0,0]=3 2553 B15R0.81 COC(=O)CCCCNCCCCCCO 2230a_100000686447_100000204269 [0,1,0,0,0,0|1,0,0]=2 2554 B15R0.81 COC(=O)CCCCNCCCCCCO 34a_100000686447_100000204269 [0,1,0,0,0,0|1,0,0]=2 2555 B15R0.81 COC(=O)CCCCOCCCCCC#N 7a_100000059025_100009813376 [0,1,0,0,0,0|2,0,1]=4 2556 B15R0.81 COC(=O)CCCCOCCCCCC=O 7a_100000059025_100000139337 [0,1,0,0,0,0|1,0,2]=4 2557 B15R0.81 COC(=O)CCCCOCCCCCCBr 34a_100011215345_100000204269 [0,1,0,0,0,0|2,0,0]=3 2558 B15R0.81 COC(=O)CCCCOCCCCCCBr 7a_100011215345_100000204269 [0,1,0,0,0,0|2,0,0]=3 2559 B15R0.81 COC(=O)CCCCOCCCCCCCl 34a_100000766143_100000204269 [0,1,0,0,0,0|2,0,0]=3 2560 B15R0.81 COC(=O)CCCCOCCCCCCCl 7a_100000766143_100000204269 [0,1,0,0,0,0|2,0,0]=3 2561 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000059025_100015922095 [0,1,0,0,0,0|2,0,0]=3 2562 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000732779_100000204269 [0,1,0,0,0,0|2,0,0]=3 2563 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000059025_100015922095 [0,1,0,0,0,0|2,0,0]=3 2564 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000732779_100000204269 [0,1,0,0,0,0|2,0,0]=3 2565 B15R0.81 COC(=O)CCCCOCCCCCCN 34a_100000686447_100000204269 [0,1,0,0,0,0|2,0,0]=3 2566 B15R0.81 COC(=O)CCCCOCCCCCCO 34a_100000059025_100000766143 [0,1,0,0,0,0|1,0,0]=2 2567 B15R0.81 COC(=O)CCCCOCCCCCCO 7a_100000059025_100000766143 [0,1,0,0,0,0|1,0,0]=2 2568 B15R0.81 COC(=O)CCCCSCCCCCC#N 62a_100000204269_100009813376 [0,1,0,0,0,0|2,0,1]=4 2569 B15R0.81 COC(=O)CCCCSCCCCCC#N 62a_100009813376_100000204269 [0,1,0,0,0,0|2,0,1]=4 2570 B15R0.81 COC(=O)CCCCSCCCCCC=O 62a_100000139337_100000204269 [0,1,0,0,0,0|1,0,2]=4 2571 B15R0.81 COC(=O)CCCCSCCCCCC=O 62a_100000204269_100000139337 [0,1,0,0,0,0|1,0,2]=4 2572 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100000204269_100015922095 [0,1,0,0,0,0|2,0,0]=3 2573 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100015922095_100000204269 [0,1,0,0,0,0|2,0,0]=3 2574 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000204269_100000766143 [0,1,0,0,0,0|1,0,0]=2 2575 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000766143_100000204269 [0,1,0,0,0,0|1,0,0]=2 2576 B15R0.81 COC(=O)CCCNCCCCCCCO 2230a_100011996573_100011218270 [0,1,0,0,0,0|1,0,0]=2 2577 B15R0.81 COC(=O)CCCNCCCCCCCO 34a_100011996573_100000742333 [0,1,0,0,0,0|1,0,0]=2 2578 B15R0.81 COC(=O)CCCNCCCOCCCO 2230a_100011310245_100011218270 [0,1,0,0,0,0|2,0,0]=3 2579 B15R0.81 COC(=O)CCCNCCCOCCCO 34a_100011310245_100000742333 [0,1,0,0,0,0|2,0,0]=3 2580 B15R0.81 COC(=O)CCCOCCCCCCCBr 34a_100000760002_100000742333 [0,1,0,0,0,0|2,0,0]=3 2581 B15R0.81 COC(=O)CCCOCCCCCCCBr 7a_100000760002_100011218270 [0,1,0,0,0,0|2,0,0]=3 2582 B15R0.81 COC(=O)CCCOCCCCCCCN 34a_100011996573_100000742333 [0,1,0,0,0,0|2,0,0]=3 2583 B15R0.81 COC(=O)CCCOCCCOCCCN 34a_100011310245_100000742333 [0,1,0,0,0,0|3,0,0]=4 2584 B15R0.81 COC(=O)CCCSCCCCCCC#N 62a_100009813337_100011218270 [0,1,0,0,0,0|2,0,1]=4 2585 B15R0.81 COC(=O)CCCSCCCCCCC#N 62a_100011218270_100009813337 [0,1,0,0,0,0|2,0,1]=4 2586 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100000760002_100011218270 [0,1,0,0,0,0|1,0,0]=2 2587 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100011218270_100000760002 [0,1,0,0,0,0|1,0,0]=2 2588 B15R0.81 COC(=O)CCNCCCCCCCCO 2230a_102515433106_100000204255 [0,1,0,0,0,0|1,0,0]=2 2589 B15R0.81 COC(=O)CCNCCCCCCCCO 34a_102515433106_100000742370 [0,1,0,0,0,0|1,0,0]=2 2590 B15R0.81 COC(=O)CCNCCOCCOCCO 2230a_100011998139_100000204255 [0,1,0,0,0,0|3,0,0]=4 2591 B15R0.81 COC(=O)CCNCCOCCOCCO 34a_100011998139_100000742370 [0,1,0,0,0,0|3,0,0]=4 2592 B15R0.81 COC(=O)CCOCCCCCCCCBr 34a_100009813846_100000742370 [0,1,0,0,0,0|2,0,0]=3 2593 B15R0.81 COC(=O)CCOCCCCCCCCBr 7a_100009813846_100000204255 [0,1,0,0,0,0|2,0,0]=3 2594 B15R0.81 COC(=O)CCOCCCCCCCCCl 34a_100000033203_100000742370 [0,1,0,0,0,0|2,0,0]=3 2595 B15R0.81 COC(=O)CCOCCCCCCCCCl 7a_100000033203_100000204255 [0,1,0,0,0,0|2,0,0]=3 2596 B15R0.81 COC(=O)CCOCCCCCCCCN 34a_102515433106_100000742370 [0,1,0,0,0,0|2,0,0]=3 2597 B15R0.81 COC(=O)CCOCCCCCNCCN 34a_103619048469_100000742370 [0,1,0,0,0,0|3,0,0]=4 2598 B15R0.81 COC(=O)CCOCCOCCOCCO 34a_100010982084_100000211926 [0,1,0,0,0,0|3,0,0]=4 2599 B15R0.81 COC(=O)CCOCCOCCOCCO 7a_100010982084_100000211926 [0,1,0,0,0,0|3,0,0]=4 2600 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000033203_100000204255 [0,1,0,0,0,0|1,0,0]=2 2601 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000204255_100000033203 [0,1,0,0,0,0|1,0,0]=2 2602 B15R0.81 COC(=O)CCSCCOCCOCCO 62a_100000032323_100000204255 [0,1,0,0,0,0|3,0,0]=4 2603 B15R0.81 COC(=O)CCSCCOCCOCCO 62a_100000204255_100000032323 [0,1,0,0,0,0|3,0,0]=4 2604 B15R0.81 COC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747449 [0,1,0,0,0,0|1,0,0]=2 2605 B15R0.81 COC(=O)CNCCCCCCCCCO 34a_100000078944_100000747449 [0,1,0,0,0,0|1,0,0]=2 2606 B15R0.81 COC(=O)CNCCCOCCOCCO 2230a_100011996194_100000747449 [0,1,0,0,0,0|3,0,0]=4 2607 B15R0.81 COC(=O)CNCCCOCCOCCO 34a_100011996194_100000747449 [0,1,0,0,0,0|3,0,0]=4 2608 B15R0.81 COC(=O)COCCCCCCCCCBr 34a_100009813782_100000747449 [0,1,0,0,0,0|2,0,0]=3 2609 B15R0.81 COC(=O)COCCCCCCCCCBr 7a_100009813782_100000747449 [0,1,0,0,0,0|2,0,0]=3 2610 B15R0.81 COC(=O)COCCCCCCCCCCl 34a_100009868337_100000747449 [0,1,0,0,0,0|2,0,0]=3 2611 B15R0.81 COC(=O)COCCCCCCCCCCl 7a_100009868337_100000747449 [0,1,0,0,0,0|2,0,0]=3 2612 B15R0.81 COC(=O)COCCCCCCCCCN 34a_100000078944_100000747449 [0,1,0,0,0,0|2,0,0]=3 2613 B15R0.81 COC(=O)COCCNCCCCCCO 2230a_100000686447_100000090808 [0,1,0,0,0,0|2,0,0]=3 2614 B15R0.81 COC(=O)COCCNCCCCCCO 34a_100000686447_100000090808 [0,1,0,0,0,0|2,0,0]=3 2615 B15R0.81 COC(=O)COCCOCCCCCCBr 34a_100011215345_100000090808 [0,1,0,0,0,0|3,0,0]=4 2616 B15R0.81 COC(=O)COCCOCCCCCCBr 7a_100011215345_100000090808 [0,1,0,0,0,0|3,0,0]=4 2617 B15R0.81 COC(=O)COCCOCCCCCCCl 34a_100000766143_100000090808 [0,1,0,0,0,0|3,0,0]=4 2618 B15R0.81 COC(=O)COCCOCCCCCCCl 7a_100000766143_100000090808 [0,1,0,0,0,0|3,0,0]=4 2619 B15R0.81 COC(=O)COCCOCCCCCCF 34a_100000732779_100000090808 [0,1,0,0,0,0|3,0,0]=4 2620 B15R0.81 COC(=O)COCCOCCCCCCF 7a_100000732779_100000090808 [0,1,0,0,0,0|3,0,0]=4 2621 B15R0.81 COC(=O)COCCOCCCCCCN 34a_100000686447_100000090808 [0,1,0,0,0,0|3,0,0]=4 2622 B15R0.81 COC(=O)COCCOCCOCCCO 34a_100011023656_100000230001 [0,1,0,0,0,0|3,0,0]=4 2623 B15R0.81 COC(=O)COCCOCCOCCCO 7a_100011023656_100011215043 [0,1,0,0,0,0|3,0,0]=4 2624 B15R0.81 COC(=O)COCCSCCCCCCF 62a_100000090808_100015922095 [0,1,0,0,0,0|3,0,0]=4 2625 B15R0.81 COC(=O)COCCSCCCCCCF 62a_100015922095_100000090808 [0,1,0,0,0,0|3,0,0]=4 2626 B15R0.81 COC(=O)COCCSCCCCCCO 62a_100000090808_100000766143 [0,1,0,0,0,0|2,0,0]=3 2627 B15R0.81 COC(=O)COCCSCCCCCCO 62a_100000766143_100000090808 [0,1,0,0,0,0|2,0,0]=3 2628 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100000747449_100009813782 [0,1,0,0,0,0|1,0,0]=2 2629 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100009813782_100000747449 [0,1,0,0,0,0|1,0,0]=2 2630 B15R0.81 COC(=O)NCCOCCCCCCCO 34a_100000757965_100000760002 [0,1,0,0,0,0|2,0,0]=3 2631 B15R0.81 COC(=O)OCCOCCCCCCCO 34a_100010262106_100000760002 [0,1,0,0,0,0|2,0,0]=3 2632 B15R0.81 COC(=O)OCSCCCCCCCCO 62a_100000033203_100000139417 [0,1,0,0,0,0|2,0,0]=3 2633 B15R0.81 COC(C)CCOCCCCCCCCO 7a_100000764861_100000033203 [0,1,0,0,0,0|2,0,1]=4 2634 B15R0.81 COC(C)COCCCCCCCCCO 34a_100000690652_100009813782 [0,1,0,0,0,0|2,0,1]=4 2635 B15R0.81 COC(C)SCCCCCCCCCCO 62a_100009813290_100009879195 [0,1,0,0,0,0|2,0,1]=4 2636 B15R0.81 COC(C)SCCCCCCCCCCO 62a_100009879195_200000033068 [0,1,0,0,0,0|2,0,1]=4 2637 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100011003013_200000210301 [0,1,0,0,0,0|2,0,0]=3 2638 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100138415774_100009812566 [0,1,0,0,0,0|2,0,0]=3 2639 B15R0.81 COCCCCCCCCCCC(=O)OC 7a_100011003013_200000210301 [0,1,0,0,0,0|2,0,0]=3 2640 B15R0.81 COCCCCCCOCCCC(=O)OC 34a_200012092642_100000742333 [0,1,0,0,0,0|3,0,0]=4 2641 B15R0.81 COCCCCCCOCCCC(=O)OC 7a_200012092642_100011218270 [0,1,0,0,0,0|3,0,0]=4 2642 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011218270_100011998445 [0,1,0,0,0,0|3,0,0]=4 2643 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011998445_100011218270 [0,1,0,0,0,0|3,0,0]=4 2644 B15R0.81 COCCCCCNCCCCC(=O)OC 2230a_100000747528_100000204269 [0,1,0,0,0,0|3,0,0]=4 2645 B15R0.81 COCCCCCNCCCCC(=O)OC 34a_100000747528_100000204269 [0,1,0,0,0,0|3,0,0]=4 2646 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000074720_100000755781 [0,1,0,0,0,0|3,0,0]=4 2647 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000740925_100009816466 [0,1,0,0,0,0|3,0,0]=4 2648 B15R0.81 COCCCCOCCCCCC(=O)OC 7a_100000074720_100000730899 [0,1,0,0,0,0|3,0,0]=4 2649 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100000730899_100009816466 [0,1,0,0,0,0|3,0,0]=4 2650 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100009816466_100000730899 [0,1,0,0,0,0|3,0,0]=4 2651 B15R0.81 COCCCNCCCCCCC(=O)OC 34a_100150723488_100009815986 [0,1,0,0,0,0|3,0,0]=4 2652 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100000740835_100009815986 [0,1,0,0,0,0|3,0,0]=4 2653 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100009863599_100000740836 [0,1,0,0,0,0|3,0,0]=4 2654 B15R0.81 COCCCOCCCCCCC(=O)OC 7a_100009863599_100000740836 [0,1,0,0,0,0|3,0,0]=4 2655 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100000709357_100009815986 [0,1,0,0,0,0|3,0,0]=4 2656 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100009815986_100000709357 [0,1,0,0,0,0|3,0,0]=4 2657 B15R0.81 COCCNCCCCCCCC(=O)OC 2230a_100000209980_100010004213 [0,1,0,0,0,0|3,0,0]=4 2658 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100000210237_100010004213 [0,1,0,0,0,0|3,0,0]=4 2659 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100011022521_100011201679 [0,1,0,0,0,0|3,0,0]=4 2660 B15R0.81 COCCOCCCCCCCC(=O)OC 7a_100011022521_100000233755 [0,1,0,0,0,0|3,0,0]=4 2661 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100000233755_100010004213 [0,1,0,0,0,0|3,0,0]=4 2662 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100010004213_100000233755 [0,1,0,0,0,0|3,0,0]=4 2663 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100000766300_100010282707 [0,1,0,0,0,0|3,0,0]=4 2664 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100010282707_100000766300 [0,1,0,0,0,0|3,0,0]=4 2665 B15R0.81 CO[C@H](C)CNCCCCCCCCCO 2230a_100020591295_100009813782 [0,1,0,0,0,0|2,0,1]=4 2666 B15R0.81 C[C@@H](CO)CNCCCCCCCCCO 2230a_100000078944_100000059175 [0,1,0,0,0,0|2,0,1]=4 2667 B15R0.81 C[C@@H](CO)CNCCCCCCCCCO 34a_100000078944_100000059175 [0,1,0,0,0,0|2,0,1]=4 2668 B15R0.81 C[C@@H](CO)CSCCCCCCCCCO 62a_100000059175_100009813782 [0,1,0,0,0,0|2,0,1]=4 2669 B15R0.81 C[C@@H](CO)CSCCCCCCCCCO 62a_100009813782_100000059175 [0,1,0,0,0,0|2,0,1]=4 2670 B15R0.81 C[C@H](CO)NCCCCCCCCCCO 2230a_100000737577_100009813290 [0,1,0,0,0,0|2,0,1]=4 2671 B15R0.81 C[C@H](CO)SCCCCCCCCCCO 62a_100009813290_100016084084 [0,1,0,0,0,0|2,0,1]=4 2672 B15R0.81 C[C@H](CO)SCCCCCCCCCCO 62a_100016084084_200000033068 [0,1,0,0,0,0|2,0,1]=4 2673 B15R0.81 NC(=NO)CCOCCCCCCCCO 34a_100000749954_100000033203 [0,1,0,0,0,0|2,0,0]=3 2674 B15R0.81 NNC(=O)CCCOCCCCCCCO 34a_100000211488_100000760002 [0,1,0,0,0,0|2,0,0]=3 2675 B15R0.81 O=C(CO)CCCCCCCCCCCO 1458a_100000210174_100009812471 [0,1,0,0,0,0|0,0,0]=1 2676 B15R0.81 O=C(CO)CCOCCOCCOCCO 1458a_100000210174_100010166562 [0,1,0,0,0,0|3,0,0]=4 2677 B15R0.81 O=C(CO)NCCCCCCCCCCO 240690a_100000066964_100000210174 [0,1,0,0,0,0|1,0,0]=2 2678 B15R0.81 OCCCCCCCCCNCC(O)CO 2230a_100000078944_100011219619 [0,1,0,0,0,0|1,0,2]=4 2679 B15R0.81 OCCCCCCCCCNCC(O)CO 34a_100000078944_100011219619 [0,1,0,0,0,0|1,0,2]=4 2680 B15R0.81 OCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100009813782 [0,1,0,0,0,0|2,0,1]=4 2681 B15R0.81 OCCCCCCCCCNC[C@@H](O)CF 2230a_100000078944_100015614560 [0,1,0,0,0,0|2,0,1]=4 2682 B15R0.81 OCCCCCCCCCNC[C@@H](O)CF 34a_100000078944_100015614560 [0,1,0,0,0,0|2,0,1]=4 2683 B15R0.81 OCCCCCCCCCNC[C@@H](O)CO 2230a_100000078944_100009815848 [0,1,0,0,0,0|1,0,2]=4 2684 B15R0.81 OCCCCCCCCCNC[C@@H](O)CO 34a_100000078944_100009815848 [0,1,0,0,0,0|1,0,2]=4 2685 B15R0.81 OCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100009813782 [0,1,0,0,0,0|1,0,2]=4 2686 B15R0.81 OCCCCCCCCCSCC(O)CO 62a_100009813782_100011219619 [0,1,0,0,0,0|1,0,2]=4 2687 B15R0.81 OCCCCCCCCCSCC(O)CO 62a_100011219619_100009813782 [0,1,0,0,0,0|1,0,2]=4 2688 B15R0.81 OCCCCCCCCCSC[C@@H](O)CF 62a_100009813782_100015614560 [0,1,0,0,0,0|2,0,1]=4 2689 B15R0.81 OCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100009813782 [0,1,0,0,0,0|2,0,1]=4 2690 B15R0.81 OCCCCCCCCCSC[C@@H](O)CO 62a_100009813782_100009815848 [0,1,0,0,0,0|1,0,2]=4 2691 B15R0.81 OCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100009813782 [0,1,0,0,0,0|1,0,2]=4 2692 B15R0.84 C#CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100153394163 [0,1,0,0,0,0|2,0,1]=4 2693 B15R0.84 C#CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100153394163 [0,1,0,0,0,0|2,0,1]=4 2694 B15R0.84 C=C(C)C(=O)CCCCCCCCCCO 1458a_100000185857_100009813290 [0,1,0,0,0,0|2,0,1]=4 2695 B15R0.84 C=C(C)C(C)NCCCCCCCCCO 269862a_100000078944_100011216138 [0,1,0,0,0,0|3,0,0]=4 2696 B15R0.84 C=CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011933949 [0,1,0,0,0,0|2,0,1]=4 2697 B15R0.84 C=CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100012355270 [0,1,0,0,0,0|2,0,1]=4 2698 B15R0.84 C=CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100012355270 [0,1,0,0,0,0|2,0,1]=4 2699 B15R0.84 CC(=O)C(=O)CNCCCCCCCCO 34a_102515433106_100011261029 [0,1,0,0,0,0|2,0,1]=4 2700 B15R0.84 CC(=O)C(=O)CSCCCCCCCCO 62a_100000033203_100011261029 [0,1,0,0,0,0|2,0,1]=4 2701 B15R0.84 CC(=O)C(=O)CSCCCCCCCCO 62a_100011261029_100000033203 [0,1,0,0,0,0|2,0,1]=4 2702 B15R0.84 CC(=O)C(C)COCCCCCCCCO 34a_100000032740_100000033203 [0,1,0,0,0,0|2,0,0]=3 2703 B15R0.84 CC(=O)C(C)COCCCCCCCCO 7a_100000032740_100000033203 [0,1,0,0,0,0|2,0,0]=3 2704 B15R0.84 CC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100009814033 [0,1,0,0,0,0|2,0,0]=3 2705 B15R0.84 CC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000179758 [0,1,0,0,0,0|3,0,0]=4 2706 B15R0.84 CC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000179758 [0,1,0,0,0,0|3,0,0]=4 2707 B15R0.84 CC(=O)C(C)OCCCCCCCCCO 34a_100000212229_100009813782 [0,1,0,0,0,0|2,0,0]=3 2708 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100009814033 [0,1,0,0,0,0|2,0,0]=3 2709 B15R0.84 CC(=O)C(C)SCCCCCCCCCO 62a_100009814033_100009813782 [0,1,0,0,0,0|2,0,0]=3 2710 B15R0.84 CC(CNCCCCCCCCO)C(=O)O 269956a_100000749485_100000033203 [0,1,0,0,0,0|1,0,0]=2 2711 B15R0.84 CC(CNCCOCCOCCO)C(=O)O 269956a_100000749485_100000032323 [0,1,0,0,0,0|3,0,0]=4 2712 B15R0.84 CC(COCCCCCCCCO)[N+](=O)[O-] 34a_100000039676_100000033203 [0,1,0,0,0,0|2,0,1]=4 2713 B15R0.84 CC(COCCCCCCCCO)[N+](=O)[O-] 7a_100000039676_100000033203 [0,1,0,0,0,0|2,0,1]=4 2714 B15R0.84 CC(NCCCCCCCCCO)C(=O)N 2230a_100000078944_100000702099 [0,1,0,0,0,0|2,0,0]=3 2715 B15R0.84 CC(NCCCCCCCCCO)C(=O)N 34a_100000078944_100000702099 [0,1,0,0,0,0|2,0,0]=3 2716 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 34a_100009813782_100000702099 [0,1,0,0,0,0|3,0,0]=4 2717 B15R0.84 CC(OCCCCCCCCCBr)C(=O)N 7a_100009813782_100000702099 [0,1,0,0,0,0|3,0,0]=4 2718 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 34a_100009868337_100000702099 [0,1,0,0,0,0|3,0,0]=4 2719 B15R0.84 CC(OCCCCCCCCCCl)C(=O)N 7a_100009868337_100000702099 [0,1,0,0,0,0|3,0,0]=4 2720 B15R0.84 CC(OCCCCCCCCCN)C(=O)N 34a_100000078944_100000702099 [0,1,0,0,0,0|3,0,0]=4 2721 B15R0.84 CC(SCCCCCCCCCO)C(=O)N 62a_100000702099_100009813782 [0,1,0,0,0,0|2,0,0]=3 2722 B15R0.84 CC(SCCCCCCCCCO)C(=O)N 62a_100009813782_100000702099 [0,1,0,0,0,0|2,0,0]=3 2723 B15R0.84 CCCCCCCCCCNC(C)C(=O)C 2230a_100000684558_100009814033 [0,1,0,0,0,0|3,0,0]=4 2724 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 2230a_100000684558_100000702099 [0,1,0,0,0,0|3,0,0]=4 2725 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 34a_100000684558_100000702099 [0,1,0,0,0,0|3,0,0]=4 2726 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 2230a_100000684558_100009813875 [0,1,0,0,0,0|3,0,0]=4 2727 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 34a_100000684558_100009813875 [0,1,0,0,0,0|3,0,0]=4 2728 B15R0.84 CCCCCCCCCCNC(F)C(=O)[O-] 34a_100000684558_100020610796 [0,1,0,0,0,0|2,0,1]=4 2729 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [0,1,0,0,0,0|2,0,0]=3 2730 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210320 [0,1,0,0,0,0|3,0,0]=4 2731 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210320 [0,1,0,0,0,0|3,0,0]=4 2732 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210320 [0,1,0,0,0,0|3,0,0]=4 2733 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 7a_100000210711_100000179758 [0,1,0,0,0,0|3,0,0]=4 2734 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 34a_100000210711_100000702099 [0,1,0,0,0,0|3,0,0]=4 2735 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 7a_100000210711_100000702099 [0,1,0,0,0,0|3,0,0]=4 2736 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 34a_100000210711_100009813875 [0,1,0,0,0,0|3,0,0]=4 2737 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 7a_100000210711_100009813875 [0,1,0,0,0,0|3,0,0]=4 2738 B15R0.84 CCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210711_100020610796 [0,1,0,0,0,0|2,0,1]=4 2739 B15R0.84 CCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210320 [0,1,0,0,0,0|2,0,1]=4 2740 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210320 [0,1,0,0,0,0|3,0,0]=4 2741 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210320 [0,1,0,0,0,0|3,0,0]=4 2742 B15R0.84 CCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210320 [0,1,0,0,0,0|3,0,0]=4 2743 B15R0.84 CCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210320 [0,1,0,0,0,0|3,0,0]=4 2744 B15R0.84 CCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210320 [0,1,0,0,0,0|3,0,0]=4 2745 B15R0.84 CCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210320 [0,1,0,0,0,0|2,0,1]=4 2746 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [0,1,0,0,0,0|2,0,0]=3 2747 B15R0.84 CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210670 [0,1,0,0,0,0|2,0,0]=3 2748 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011214924 [0,1,0,0,0,0|3,0,0]=4 2749 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210328 [0,1,0,0,0,0|3,0,0]=4 2750 B15R0.84 CCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011214924 [0,1,0,0,0,0|3,0,0]=4 2751 B15R0.84 C[C@@H](NCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813782 [0,1,0,0,0,0|2,0,0]=3 2752 B15R0.84 C[C@@H](NCCCCCCCCCO)C(=O)N 34a_100000119354_100009813782 [0,1,0,0,0,0|2,0,0]=3 2753 B15R0.84 C[C@@H](O)C(=O)CCCCCCCCCCO 1458a_100000717761_100009813290 [0,1,0,0,0,0|1,0,2]=4 2754 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 34a_100000731257_100009813782 [0,1,0,0,0,0|2,0,0]=3 2755 B15R0.84 C[C@@H](OCCCCCCCCCO)C(=O)N 7a_100000731257_100009813782 [0,1,0,0,0,0|2,0,0]=3 2756 B15R0.84 C[C@H](NCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813782 [0,1,0,0,0,0|1,0,0]=2 2757 B15R0.84 C[C@H](O)C(=O)CCCCCCCCCCO 1458a_217856618621_100009813290 [0,1,0,0,0,0|1,0,2]=4 2758 B15R0.84 C[C@H](OCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813782 [0,1,0,0,0,0|1,0,1]=3 2759 B15R0.84 NC(=O)C(=O)NCCCCCCCCCO 240690a_100000078944_100011215815 [0,1,0,0,0,0|2,0,1]=4 2760 B15R0.84 NC(=O)C(F)NCCCCCCCCCO 2230a_100000078944_100009813875 [0,1,0,0,0,0|2,0,0]=3 2761 B15R0.84 NC(=O)C(F)NCCCCCCCCCO 34a_100000078944_100009813875 [0,1,0,0,0,0|2,0,0]=3 2762 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 34a_100009813782_100009813875 [0,1,0,0,0,0|3,0,0]=4 2763 B15R0.84 NC(=O)C(F)OCCCCCCCCCBr 7a_100009813782_100009813875 [0,1,0,0,0,0|3,0,0]=4 2764 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 34a_100009868337_100009813875 [0,1,0,0,0,0|3,0,0]=4 2765 B15R0.84 NC(=O)C(F)OCCCCCCCCCCl 7a_100009868337_100009813875 [0,1,0,0,0,0|3,0,0]=4 2766 B15R0.84 NC(=O)C(F)SCCCCCCCCCO 62a_100009813782_100009813875 [0,1,0,0,0,0|2,0,0]=3 2767 B15R0.84 NC(=O)C(F)SCCCCCCCCCO 62a_100009813875_100009813782 [0,1,0,0,0,0|2,0,0]=3 2768 B15R0.84 NC(=O)[C@@H](N)COCCCCCCCCO 34a_100000729942_100000033203 [0,1,0,0,0,0|2,0,0]=3 2769 B15R0.84 NCCCCCCCCCOC(F)C(=O)N 34a_100000078944_100009813875 [0,1,0,0,0,0|3,0,0]=4 2770 B15R0.84 NCCCCCCCCCOC(F)C(=O)[O-] 34a_100000078944_100020610796 [0,1,0,0,0,0|2,0,1]=4 2771 B15R0.84 O=C(CCCCCCCCCCO)C(O)O 1458a_100000233687_100009813290 [0,1,0,0,0,0|0,0,3]=4 2772 B15R0.84 O=C(O)C(F)CNCCCCCCCCO 269956a_100000084737_100000033203 [0,1,0,0,0,0|1,0,0]=2 2773 B15R0.84 O=C(O)C(F)CNCCOCCOCCO 269956a_100000084737_100000032323 [0,1,0,0,0,0|3,0,0]=4 2774 B15R0.84 O=C([O-])C(F)NCCCCCCCCCO 34a_100000078944_100020610796 [0,1,0,0,0,0|1,0,1]=3 2775 B15R0.84 O=C([O-])C(F)OCCCCCCCCCBr 34a_100009813782_100020610796 [0,1,0,0,0,0|2,0,1]=4 2776 B15R0.84 O=C([O-])C(F)OCCCCCCCCCCl 34a_100009868337_100020610796 [0,1,0,0,0,0|2,0,1]=4 2777 B15R0.84 O=C([O-])C(F)SCCCCCCCCCO 62a_100009813782_100020610796 [0,1,0,0,0,0|1,0,1]=3 2778 B15R0.84 O=C([O-])C(F)SCCCCCCCCCO 62a_100020610796_100009813782 [0,1,0,0,0,0|1,0,1]=3 2779 B15R0.88 C=C(C)CCC(=O)CCCCCCCCO 1458a_200000688413_100000033203 [0,1,0,0,0,0|2,0,1]=4 2780 B15R0.88 C=C(C)CCC(C)NCCCCCCCO 270004a_100011996573_100011215600 [0,1,0,0,0,0|3,0,0]=4 2781 B15R0.88 CC(=O)NCC(=O)CCCCCCCCO 1458a_100000194580_100000033203 [0,1,0,0,0,0|2,0,1]=4 2782 B15R0.88 CC(=O)OCC(=O)CCCCCCCCO 1458a_100000183556_100000033203 [0,1,0,0,0,0|2,0,1]=4 2783 B15R0.88 CC(=O)OCC(C)NCCCCCCCO 270004a_100011996573_100000000629 [0,1,0,0,0,0|3,0,0]=4 2784 B15R0.88 CC(=O)OCC(O)CNCCCCCCO 34a_100000686447_200000139349 [0,1,0,0,0,0|3,0,0]=4 2785 B15R0.88 CC(=O)OCC(O)CSCCCCCCO 62a_100000766143_200000139349 [0,1,0,0,0,0|3,0,0]=4 2786 B15R0.88 CC(=O)OCC(O)CSCCCCCCO 62a_200000139349_100000766143 [0,1,0,0,0,0|3,0,0]=4 2787 B15R0.88 CC(=O)SCC(=O)CCCCCCCCO 1458a_100000049016_100000033203 [0,1,0,0,0,0|2,0,1]=4 2788 B15R0.88 CC(=O)SCC(C)CNCCCCCCO 2230a_100000686447_200000116872 [0,1,0,0,0,0|3,0,0]=4 2789 B15R0.88 CC(=O)SCC(C)CNCCCCCCO 34a_100000686447_200000116872 [0,1,0,0,0,0|3,0,0]=4 2790 B15R0.88 CC(=O)SCC(C)CSCCCCCCO 62a_100000766143_200000116872 [0,1,0,0,0,0|3,0,0]=4 2791 B15R0.88 CC(=O)SCC(C)CSCCCCCCO 62a_200000116872_100000766143 [0,1,0,0,0,0|3,0,0]=4 2792 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [0,1,0,0,0,0|2,0,1]=4 2793 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 34a_100011218016_100000187820 [0,1,0,0,0,0|3,0,0]=4 2794 B15R0.88 CCCCCCCCCC(C)OCC(=O)N 7a_100011218016_100000187820 [0,1,0,0,0,0|3,0,0]=4 2795 B15R0.88 CCCCCCCCCC(C)OCC(=O)[O-] 34a_100011218016_100020667443 [0,1,0,0,0,0|2,0,1]=4 2796 B15R0.88 CCCCCCCCCN(C)CCC(=O)C 269982a_100000232482_100000053229 [0,1,0,0,0,0|3,0,0]=4 2797 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000232482_100000744528 [0,1,0,0,0,0|3,0,0]=4 2798 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011214924 [0,1,0,0,0,0|3,0,0]=4 2799 B15R0.88 CCCCCCCCCN(C)CCC(=O)N 269982a_100000232482_100000744528 [0,1,0,0,0,0|3,0,0]=4 2800 B15R0.88 CN(CCCCCCCCO)CCC(=O)N 2230a_100000730477_100000033203 [0,1,0,0,0,0|2,0,0]=3 2801 B15R0.88 NC(=O)CCC(=O)CCCCCCCCO 1458a_100011215257_100000033203 [0,1,0,0,0,0|1,0,1]=3 2802 B15R0.88 NC(=O)CCC(=O)NCCCCCCCO 240690a_100011996573_100011215257 [0,1,0,0,0,0|2,0,1]=4 2803 B15R0.88 NC(=O)CNC(=O)CCCCCCCCO 240690a_100000711301_100000015970 [0,1,0,0,0,0|2,0,1]=4 2804 B15R0.88 NC(=O)NCC(=O)CCCCCCCCO 1458a_100000184981_100000033203 [0,1,0,0,0,0|2,0,1]=4 2805 B15R0.88 O=C(CCCCCCCCO)CC[N+](=O)[O-] 1458a_200000064761_100000033203 [0,1,0,0,0,0|1,0,2]=4 2806 B15R0.88 O=C(O)CNC(=O)CCNCCCCCO 269956a_100000722369_100000746330 [0,1,0,0,0,0|2,0,1]=4 2807 B15R0.88 O=C(O)CNC(=O)CNCCCCCCO 269956a_100000183575_100000766143 [0,1,0,0,0,0|2,0,1]=4 2808 B15R0.111 CC(=O)NCCCCCCNC(C)CCO 2230a_200011996284_100009893172 [0,1,0,0,0,0|3,0,0]=4 2809 B15R0.111 CC(=O)NCCCCCCNC(C)CCO 34a_200011996284_100009893172 [0,1,0,0,0,0|3,0,0]=4 2810 B15R0.111 CC(CCO)NCCOCCOCC(=O)O 269956a_100009854275_100009893172 [0,1,0,0,0,0|3,0,0]=4 2811 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 34a_100011713154_100009817362 [0,1,0,0,0,0|3,0,0]=4 2812 B15R0.111 CCCC(C)CCCOCCCCC(=O)C 7a_100011713154_100000735457 [0,1,0,0,0,0|3,0,0]=4 2813 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 34a_100011217855_100009817443 [0,1,0,0,0,0|3,0,0]=4 2814 B15R0.111 CCCC(C)CCOCCCCCC(=O)N 7a_100011217855_100009817443 [0,1,0,0,0,0|3,0,0]=4 2815 B15R0.111 CCC[C@H](N)CCOCCCCCC(=O)N 34a_100015193777_100009817443 [0,1,0,0,0,0|3,0,0]=4 2816 B15R0.129 CC(=O)CCCCC(=O)CCCCCCO 1458a_100011996774_100000735457 [0,1,0,0,0,0|1,0,1]=3 2817 B15R0.129 CC(=O)NCCCC(=O)CCCCCCO 1458a_100000194741_100000766143 [0,1,0,0,0,0|2,0,1]=4 2818 B15R0.129 CC(=O)OCCCC(=O)CCCCCCO 1458a_100011996774_100000042594 [0,1,0,0,0,0|2,0,1]=4 2819 B15R0.129 CC(=O)SCCCC(=O)CCCCCCO 1458a_100011996774_100000038929 [0,1,0,0,0,0|2,0,1]=4 2820 B15R0.129 CCCCCCCC(=O)CCCCC(=O)C 1458a_100000211969_100000735457 [0,1,0,0,0,0|2,0,1]=4 2821 B15R0.129 CCCCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218727 [0,1,0,0,0,0|3,0,0]=4 2822 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218727 [0,1,0,0,0,0|3,0,0]=4 2823 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 34a_200011215852_100000685027 [0,1,0,0,0,0|3,0,0]=4 2824 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218727 [0,1,0,0,0,0|3,0,0]=4 2825 B15R0.129 CCCCCCCC(C)OCCCC(=O)C 7a_200011215852_100011215641 [0,1,0,0,0,0|3,0,0]=4 2826 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 34a_200011215852_100102525003 [0,1,0,0,0,0|3,0,0]=4 2827 B15R0.129 CCCCCCCC(C)OCCCC(=O)N 7a_200011215852_100102525003 [0,1,0,0,0,0|3,0,0]=4 2828 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218727 [0,1,0,0,0,0|3,0,0]=4 2829 B15R0.129 CCCCCCCC(C)SCCCC(=O)C 62a_200011218727_100011215641 [0,1,0,0,0,0|3,0,0]=4 2830 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218727 [0,1,0,0,0,0|3,0,0]=4 2831 B15R0.129 CCCCCCCC(C)SCCCC(=O)N 62a_200011218727_100102525003 [0,1,0,0,0,0|3,0,0]=4 2832 B15R0.129 CCCCCCCN(C)CCCCC(=O)C 269982a_100000228206_100000735457 [0,1,0,0,0,0|3,0,0]=4 2833 B15R0.129 NC(=O)CCCNC(=O)CCCCCCO 240690a_100000739312_100011996774 [0,1,0,0,0,0|2,0,1]=4 2834 B15R0.129 NC(=O)COCCC(=O)CCCCCCO 1458a_100011996774_100000076697 [0,1,0,0,0,0|2,0,1]=4 2835 B15R0.129 NC(=O)CSCCC(=O)CCCCCCO 1458a_100000148550_100000766143 [0,1,0,0,0,0|2,0,1]=4 2836 B15R0.129 O=C(CCCCCCO)CCCCB(O)O 1458a_100011996774_200009817182 [0,1,0,0,0,0|1,0,2]=4 2837 B15R0.164 C#CCCCCCCCCCOCC(=O)N 34a_100000034437_100000187820 [0,1,0,0,0,0|2,0,1]=4 2838 B15R0.164 C#CCCCCCCCCCOCC(=O)N 7a_100000034437_100000187820 [0,1,0,0,0,0|2,0,1]=4 2839 B15R0.164 C#CCCCCCCCCCOCC(=O)[O-] 34a_100000034437_100020667443 [0,1,0,0,0,0|1,0,2]=4 2840 B15R0.164 C#CCCCCCCCCOCCC(=O)C 7a_100000065265_100000053229 [0,1,0,0,0,0|2,0,1]=4 2841 B15R0.164 C#CCCCCCCCCOCCC(=O)N 34a_100000065265_100000731001 [0,1,0,0,0,0|2,0,1]=4 2842 B15R0.164 C#CCCCCCCCCOCCC(=O)N 7a_100000065265_100000744528 [0,1,0,0,0,0|2,0,1]=4 2843 B15R0.164 C#CCCCCCCCNCCCC(=O)N 34a_100000739312_100153394163 [0,1,0,0,0,0|2,0,1]=4 2844 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000054614_100000685027 [0,1,0,0,0,0|2,0,1]=4 2845 B15R0.164 C#CCCCCCCCOCCCC(=O)C 34a_100000759063_100153394163 [0,1,0,0,0,0|2,0,1]=4 2846 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000054614_100011215641 [0,1,0,0,0,0|2,0,1]=4 2847 B15R0.164 C#CCCCCCCCOCCCC(=O)C 7a_100000759063_100153394163 [0,1,0,0,0,0|2,0,1]=4 2848 B15R0.164 C#CCCCCCCCOCCCC(=O)N 34a_100000054614_100102525003 [0,1,0,0,0,0|2,0,1]=4 2849 B15R0.164 C#CCCCCCCCOCCCC(=O)N 7a_100000054614_100102525003 [0,1,0,0,0,0|2,0,1]=4 2850 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100011215641_100153394163 [0,1,0,0,0,0|2,0,1]=4 2851 B15R0.164 C#CCCCCCCCSCCCC(=O)C 62a_100153394163_100011215641 [0,1,0,0,0,0|2,0,1]=4 2852 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100102525003_100153394163 [0,1,0,0,0,0|2,0,1]=4 2853 B15R0.164 C#CCCCCCCCSCCCC(=O)N 62a_100153394163_100102525003 [0,1,0,0,0,0|2,0,1]=4 2854 B15R0.164 C#CCCCCCCNCCCCC(=O)N 34a_100000696515_100012276617 [0,1,0,0,0,0|2,0,1]=4 2855 B15R0.164 C#CCCCCCCNCCOCC(=O)O 269956a_100000700818_100012276617 [0,1,0,0,0,0|2,0,1]=4 2856 B15R0.164 C#CCCCCCCOCCCCC(=O)C 34a_100011217361_100009817362 [0,1,0,0,0,0|2,0,1]=4 2857 B15R0.164 C#CCCCCCCOCCCCC(=O)C 7a_100011217361_100000735457 [0,1,0,0,0,0|2,0,1]=4 2858 B15R0.164 C#CCCCCCCOCCCCC(=O)N 34a_100012022536_100012276617 [0,1,0,0,0,0|2,0,1]=4 2859 B15R0.164 C#CCCCCCCOCCCCC(=O)N 7a_100012022536_100012276617 [0,1,0,0,0,0|2,0,1]=4 2860 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100000735457_100012276617 [0,1,0,0,0,0|2,0,1]=4 2861 B15R0.164 C#CCCCCCCSCCCCC(=O)C 62a_100012276617_100000735457 [0,1,0,0,0,0|2,0,1]=4 2862 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000123541_100012094781 [0,1,0,0,0,0|2,0,1]=4 2863 B15R0.164 C#CCCCCCOCCCCCC(=O)N 34a_100000766912_100009817443 [0,1,0,0,0,0|2,0,1]=4 2864 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000123541_100012094781 [0,1,0,0,0,0|2,0,1]=4 2865 B15R0.164 C#CCCCCCOCCCCCC(=O)N 7a_100000766912_100009817443 [0,1,0,0,0,0|2,0,1]=4 2866 B15R0.164 C#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012094781 [0,1,0,0,0,0|1,0,2]=4 2867 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100009817443_100012094781 [0,1,0,0,0,0|2,0,1]=4 2868 B15R0.164 C#CCCCCCSCCCCCC(=O)N 62a_100012094781_100009817443 [0,1,0,0,0,0|2,0,1]=4 2869 B15R0.164 C=C(Br)CCOCCCCCCCCCO 34a_100009813270_100009813782 [0,1,0,0,0,0|2,0,0]=3 2870 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [0,1,0,0,0,0|3,0,0]=4 2871 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [0,1,0,0,0,0|3,0,0]=4 2872 B15R0.164 C=C(C)CCNCCCCCCCCCO 2230a_100000078944_100000730704 [0,1,0,0,0,0|2,0,0]=3 2873 B15R0.164 C=C(C)CCNCCCCCCCCCO 34a_100000078944_100000730704 [0,1,0,0,0,0|2,0,0]=3 2874 B15R0.164 C=C(C)CCOCCCCCCCCCCl 34a_100009868337_100000730704 [0,1,0,0,0,0|3,0,0]=4 2875 B15R0.164 C=C(C)CCOCCCCCCCCCCl 7a_100009868337_100000730704 [0,1,0,0,0,0|3,0,0]=4 2876 B15R0.164 C=C(C)CCOCCCCCCCCCN 34a_100000078944_100000730704 [0,1,0,0,0,0|3,0,0]=4 2877 B15R0.164 C=C(C)CCOCCCCCCCCCO 34a_100000764851_100009813782 [0,1,0,0,0,0|2,0,0]=3 2878 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100000730704_100009813782 [0,1,0,0,0,0|2,0,0]=3 2879 B15R0.164 C=C(C)CCSCCCCCCCCCO 62a_100009813782_100000730704 [0,1,0,0,0,0|2,0,0]=3 2880 B15R0.164 C=C(C)CNCCCCCCCCCCC 2230a_200011215754_100000748629 [0,1,0,0,0,0|3,0,0]=4 2881 B15R0.164 C=C(C)CNCCCCCCCCCCC 34a_200011215754_100000748629 [0,1,0,0,0,0|3,0,0]=4 2882 B15R0.164 C=C(C)CNCCCCCCCCCCO 2230a_100000066964_100000748629 [0,1,0,0,0,0|2,0,0]=3 2883 B15R0.164 C=C(C)CNCCCCCCCCCCO 34a_100000066964_100000748629 [0,1,0,0,0,0|2,0,0]=3 2884 B15R0.164 C=C(C)COCCCCCCCCCCCl 34a_200000033068_100000748629 [0,1,0,0,0,0|3,0,0]=4 2885 B15R0.164 C=C(C)COCCCCCCCCCCCl 7a_200000033068_100000748629 [0,1,0,0,0,0|3,0,0]=4 2886 B15R0.164 C=C(C)COCCCCCCCCCCN 34a_100000066964_100000748629 [0,1,0,0,0,0|3,0,0]=4 2887 B15R0.164 C=C(C)COCCCCCCCCCCO 34a_100000210245_100009813290 [0,1,0,0,0,0|2,0,0]=3 2888 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100000748629_200000033068 [0,1,0,0,0,0|2,0,0]=3 2889 B15R0.164 C=C(C)CSCCCCCCCCCCO 62a_100009813290_100000211660 [0,1,0,0,0,0|2,0,0]=3 2890 B15R0.164 C=C(F)CNCCCCCCCCCCC 2230a_200011215754_100009893438 [0,1,0,0,0,0|3,0,0]=4 2891 B15R0.164 C=C(F)CNCCCCCCCCCCC 34a_200011215754_100009893438 [0,1,0,0,0,0|3,0,0]=4 2892 B15R0.164 C=C(F)CNCCCCCCCCCCO 2230a_100000066964_100009893438 [0,1,0,0,0,0|2,0,0]=3 2893 B15R0.164 C=C(F)CNCCCCCCCCCCO 34a_100000066964_100009893438 [0,1,0,0,0,0|2,0,0]=3 2894 B15R0.164 C=C(F)COCCCCCCCCCCCl 34a_200000033068_100009893438 [0,1,0,0,0,0|3,0,0]=4 2895 B15R0.164 C=C(F)COCCCCCCCCCCCl 7a_200000033068_100000042424 [0,1,0,0,0,0|3,0,0]=4 2896 B15R0.164 C=C(F)COCCCCCCCCCCN 34a_100000066964_100009893438 [0,1,0,0,0,0|3,0,0]=4 2897 B15R0.164 C=C(F)COCCCCCCCCCCO 34a_200010262243_100009813290 [0,1,0,0,0,0|2,0,0]=3 2898 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100000042424_200000033068 [0,1,0,0,0,0|2,0,0]=3 2899 B15R0.164 C=C(F)CSCCCCCCCCCCO 62a_100009813290_100000042424 [0,1,0,0,0,0|2,0,0]=3 2900 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000081888_100000747473 [0,1,0,0,0,0|2,0,1]=4 2901 B15R0.164 C=CCCCCCCCCCNCC(=O)N 2230a_100000711301_100009814027 [0,1,0,0,0,0|2,0,1]=4 2902 B15R0.164 C=CCCCCCCCCCNCC(=O)N 34a_100000081888_100000187820 [0,1,0,0,0,0|2,0,1]=4 2903 B15R0.164 C=CCCCCCCCCCNCC(=O)O 269956a_100016091260_100009814027 [0,1,0,0,0,0|1,0,1]=3 2904 B15R0.164 C=CCCCCCCCCCNCC(=O)[O-] 34a_100000081888_100020667443 [0,1,0,0,0,0|1,0,2]=4 2905 B15R0.164 C=CCCCCCCCCCOCC(=O)C 34a_100000211253_100009814027 [0,1,0,0,0,0|2,0,1]=4 2906 B15R0.164 C=CCCCCCCCCCOCC(=O)N 34a_100000038209_100000187820 [0,1,0,0,0,0|2,0,1]=4 2907 B15R0.164 C=CCCCCCCCCCOCC(=O)N 7a_100000038209_100000187820 [0,1,0,0,0,0|2,0,1]=4 2908 B15R0.164 C=CCCCCCCCCCOCC(=O)[O-] 34a_100000038209_100020667443 [0,1,0,0,0,0|1,0,2]=4 2909 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100000747473_100009814027 [0,1,0,0,0,0|2,0,1]=4 2910 B15R0.164 C=CCCCCCCCCCSCC(=O)N 62a_100009814027_100000747473 [0,1,0,0,0,0|2,0,1]=4 2911 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100009814027_100020667443 [0,1,0,0,0,0|1,0,2]=4 2912 B15R0.164 C=CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100009814027 [0,1,0,0,0,0|1,0,2]=4 2913 B15R0.164 C=CCCCCCCCCNOCC(=O)O 269956a_100000106656_100011933949 [0,1,0,0,0,0|2,0,1]=4 2914 B15R0.164 C=CCCCCCCCCOCCC(=O)C 34a_100000759926_100011933949 [0,1,0,0,0,0|2,0,1]=4 2915 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100000759926_100011933949 [0,1,0,0,0,0|2,0,1]=4 2916 B15R0.164 C=CCCCCCCCCOCCC(=O)C 7a_100011215194_100000053229 [0,1,0,0,0,0|2,0,1]=4 2917 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100000757172_100011933949 [0,1,0,0,0,0|2,0,1]=4 2918 B15R0.164 C=CCCCCCCCCOCCC(=O)N 34a_100011215194_100000731001 [0,1,0,0,0,0|2,0,1]=4 2919 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100000757172_100011933949 [0,1,0,0,0,0|2,0,1]=4 2920 B15R0.164 C=CCCCCCCCCOCCC(=O)N 7a_100011215194_100000744528 [0,1,0,0,0,0|2,0,1]=4 2921 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100000053229_100011933949 [0,1,0,0,0,0|2,0,1]=4 2922 B15R0.164 C=CCCCCCCCCSCCC(=O)C 62a_100011933949_100000053229 [0,1,0,0,0,0|2,0,1]=4 2923 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100000744528_100011933949 [0,1,0,0,0,0|2,0,1]=4 2924 B15R0.164 C=CCCCCCCCCSCCC(=O)N 62a_100011933949_100000744528 [0,1,0,0,0,0|2,0,1]=4 2925 B15R0.164 C=CCCCCCCCNCCCC(=O)N 34a_100000739312_100012355270 [0,1,0,0,0,0|2,0,1]=4 2926 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000730831_100000685027 [0,1,0,0,0,0|2,0,1]=4 2927 B15R0.164 C=CCCCCCCCOCCCC(=O)C 34a_100000759063_100012355270 [0,1,0,0,0,0|2,0,1]=4 2928 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000730831_100011215641 [0,1,0,0,0,0|2,0,1]=4 2929 B15R0.164 C=CCCCCCCCOCCCC(=O)C 7a_100000759063_100012355270 [0,1,0,0,0,0|2,0,1]=4 2930 B15R0.164 C=CCCCCCCCOCCCC(=O)N 34a_100000730831_100102525003 [0,1,0,0,0,0|2,0,1]=4 2931 B15R0.164 C=CCCCCCCCOCCCC(=O)N 7a_100000730831_100102525003 [0,1,0,0,0,0|2,0,1]=4 2932 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100011215641_100012355270 [0,1,0,0,0,0|2,0,1]=4 2933 B15R0.164 C=CCCCCCCCSCCCC(=O)C 62a_100012355270_100011215641 [0,1,0,0,0,0|2,0,1]=4 2934 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100012355270_100102525003 [0,1,0,0,0,0|2,0,1]=4 2935 B15R0.164 C=CCCCCCCCSCCCC(=O)N 62a_100102525003_100012355270 [0,1,0,0,0,0|2,0,1]=4 2936 B15R0.164 C=CCCCCCCNCCCCC(=O)N 34a_100000696515_100011215473 [0,1,0,0,0,0|2,0,1]=4 2937 B15R0.164 C=CCCCCCCNCCOCC(=O)O 269956a_100000700818_100011215473 [0,1,0,0,0,0|2,0,1]=4 2938 B15R0.164 C=CCCCCCCOCCCCC(=O)C 34a_200011216477_100009817362 [0,1,0,0,0,0|2,0,1]=4 2939 B15R0.164 C=CCCCCCCOCCCCC(=O)C 7a_200011216477_100000735457 [0,1,0,0,0,0|2,0,1]=4 2940 B15R0.164 C=CCCCCCCOCCCCC(=O)N 34a_100012022536_100011215473 [0,1,0,0,0,0|2,0,1]=4 2941 B15R0.164 C=CCCCCCCOCCCCC(=O)N 7a_100012022536_100011215473 [0,1,0,0,0,0|2,0,1]=4 2942 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100000735457_100011215473 [0,1,0,0,0,0|2,0,1]=4 2943 B15R0.164 C=CCCCCCCSCCCCC(=O)C 62a_100011215473_100000735457 [0,1,0,0,0,0|2,0,1]=4 2944 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100000123541_100000700193 [0,1,0,0,0,0|2,0,1]=4 2945 B15R0.164 C=CCCCCCOCCCCCC(=O)N 34a_100011216702_100009817443 [0,1,0,0,0,0|2,0,1]=4 2946 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100000123541_100000700193 [0,1,0,0,0,0|2,0,1]=4 2947 B15R0.164 C=CCCCCCOCCCCCC(=O)N 7a_100011216702_100009817443 [0,1,0,0,0,0|2,0,1]=4 2948 B15R0.164 C=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000700193 [0,1,0,0,0,0|1,0,2]=4 2949 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100000700193_100009817443 [0,1,0,0,0,0|2,0,1]=4 2950 B15R0.164 C=CCCCCCSCCCCCC(=O)N 62a_100009817443_100000700193 [0,1,0,0,0,0|2,0,1]=4 2951 B15R0.164 CC(=CCCNCCCCCCCCO)C 2230a_102515433106_100011217483 [0,1,0,0,0,0|2,0,1]=4 2952 B15R0.164 CC(=CCCNCCCCCCCCO)C 34a_102515433106_100011217483 [0,1,0,0,0,0|2,0,1]=4 2953 B15R0.164 CC(=CCCSCCCCCCCCO)C 62a_100000033203_100011217483 [0,1,0,0,0,0|2,0,1]=4 2954 B15R0.164 CC(=CCCSCCCCCCCCO)C 62a_100011217483_100000033203 [0,1,0,0,0,0|2,0,1]=4 2955 B15R0.164 CC(=CCNCCCCCCCCCO)C 2230a_100000078944_100000761012 [0,1,0,0,0,0|2,0,1]=4 2956 B15R0.164 CC(=CCNCCCCCCCCCO)C 34a_100000078944_100000761012 [0,1,0,0,0,0|2,0,1]=4 2957 B15R0.164 CC(=CCNCCCCCCCCCO)C 34a_100000718196_100009813782 [0,1,0,0,0,0|2,0,1]=4 2958 B15R0.164 CC(=CCOCCCCCCCCCO)C 34a_100000753907_100009813782 [0,1,0,0,0,0|2,0,1]=4 2959 B15R0.164 CC(=CCSCCCCCCCCCO)C 62a_100000761012_100009813782 [0,1,0,0,0,0|2,0,1]=4 2960 B15R0.164 CC(=CCSCCCCCCCCCO)C 62a_100009813782_100000761012 [0,1,0,0,0,0|2,0,1]=4 2961 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [0,1,0,0,0,0|1,0,0]=2 2962 B15R0.164 CC(=O)CCCCCCOCCCCCO 1458a_100000070787_200132310570 [0,1,0,0,0,0|1,0,0]=2 2963 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [0,1,0,0,0,0|1,0,0]=2 2964 B15R0.164 CC(=O)CCCCNCCCOCCCO 34a_100011310245_100009817362 [0,1,0,0,0,0|2,0,0]=3 2965 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [0,1,0,0,0,0|2,0,0]=3 2966 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [0,1,0,0,0,0|2,0,0]=3 2967 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [0,1,0,0,0,0|2,0,0]=3 2968 B15R0.164 CC(=O)CCCCOCCCOCCCN 34a_100011310245_100009817362 [0,1,0,0,0,0|3,0,0]=4 2969 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100000735457_100009813337 [0,1,0,0,0,0|2,0,1]=4 2970 B15R0.164 CC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000735457 [0,1,0,0,0,0|2,0,1]=4 2971 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [0,1,0,0,0,0|1,0,0]=2 2972 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [0,1,0,0,0,0|1,0,0]=2 2973 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [0,1,0,0,0,0|1,0,0]=2 2974 B15R0.164 CC(=O)CCCNCCOCCOCCO 34a_100011998139_100000685027 [0,1,0,0,0,0|3,0,0]=4 2975 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [0,1,0,0,0,0|2,0,0]=3 2976 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [0,1,0,0,0,0|2,0,0]=3 2977 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [0,1,0,0,0,0|2,0,0]=3 2978 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [0,1,0,0,0,0|2,0,0]=3 2979 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [0,1,0,0,0,0|2,0,0]=3 2980 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [0,1,0,0,0,0|1,0,0]=2 2981 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [0,1,0,0,0,0|1,0,0]=2 2982 B15R0.164 CC(=O)CCCOCCCCCNCCN 34a_103619048469_100000685027 [0,1,0,0,0,0|3,0,0]=4 2983 B15R0.164 CC(=O)CCCOCCOCCOCCO 34a_100000759063_100000032323 [0,1,0,0,0,0|3,0,0]=4 2984 B15R0.164 CC(=O)CCCOCCOCCOCCO 7a_100000759063_100000032323 [0,1,0,0,0,0|3,0,0]=4 2985 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [0,1,0,0,0,0|1,0,0]=2 2986 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [0,1,0,0,0,0|1,0,0]=2 2987 B15R0.164 CC(=O)CCCSCCOCCOCCO 62a_100000032323_100011215641 [0,1,0,0,0,0|3,0,0]=4 2988 B15R0.164 CC(=O)CCCSCCOCCOCCO 62a_100011215641_100000032323 [0,1,0,0,0,0|3,0,0]=4 2989 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [0,1,0,0,0,0|2,0,0]=3 2990 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [0,1,0,0,0,0|2,0,0]=3 2991 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [0,1,0,0,0,0|1,0,0]=2 2992 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [0,1,0,0,0,0|1,0,0]=2 2993 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [0,1,0,0,0,0|1,0,0]=2 2994 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [0,1,0,0,0,0|1,0,0]=2 2995 B15R0.164 CC(=O)COCCCCCCCCCCO 34a_100000211253_100009813290 [0,1,0,0,0,0|1,0,0]=2 2996 B15R0.164 CC(=O)NCCCCCCNCCCCF 2230a_200011996284_100000729493 [0,1,0,0,0,0|3,0,0]=4 2997 B15R0.164 CC(=O)NCCCCCCNCCCCF 34a_200011996284_100000729493 [0,1,0,0,0,0|3,0,0]=4 2998 B15R0.164 CC(=O)NCCCCCCNCCCCO 2230a_200011996284_100000210776 [0,1,0,0,0,0|2,0,0]=3 2999 B15R0.164 CC(=O)NCCCCCCNCCCCO 34a_200011996284_100011216708 [0,1,0,0,0,0|2,0,0]=3 3000 B15R0.164 CC(=O)NCCCCCNCCCCCF 2230a_200012022750_100000729378 [0,1,0,0,0,0|3,0,0]=4 3001 B15R0.164 CC(=O)NCCCCCNCCCCCF 34a_200012022750_100000729378 [0,1,0,0,0,0|3,0,0]=4 3002 B15R0.164 CC(=O)NCCCCCNCCCCCO 2230a_200012022750_100000746330 [0,1,0,0,0,0|2,0,0]=3 3003 B15R0.164 CC(=O)NCCCCCNCCCCCO 34a_200012022750_100000746330 [0,1,0,0,0,0|2,0,0]=3 3004 B15R0.164 CC(=O)NCCCCCNCCOCCO 2230a_200012022750_100011215305 [0,1,0,0,0,0|3,0,0]=4 3005 B15R0.164 CC(=O)NCCCCCNCCOCCO 34a_200012022750_100000692535 [0,1,0,0,0,0|3,0,0]=4 3006 B15R0.164 CC(=O)NCCCCNCCCCCCF 2230a_200011368371_100015922095 [0,1,0,0,0,0|3,0,0]=4 3007 B15R0.164 CC(=O)NCCCCNCCCCCCF 34a_200011368371_100015922095 [0,1,0,0,0,0|3,0,0]=4 3008 B15R0.164 CC(=O)NCCCCNCCCCCCO 2230a_200011368371_100000766143 [0,1,0,0,0,0|2,0,0]=3 3009 B15R0.164 CC(=O)NCCCCNCCCCCCO 34a_200011368371_100000766143 [0,1,0,0,0,0|2,0,0]=3 3010 B15R0.164 CC(=O)NCCCNCCCCCCCO 34a_100000736810_100000760002 [0,1,0,0,0,0|2,0,0]=3 3011 B15R0.164 CC(=O)NCCCOCCCCCCCO 34a_100000752032_100000760002 [0,1,0,0,0,0|2,0,0]=3 3012 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_100000209853_100000033203 [0,1,0,0,0,0|2,0,0]=3 3013 B15R0.164 CC(=O)NCCNCCCCCCCCO 2230a_102515433106_100000189650 [0,1,0,0,0,0|2,0,0]=3 3014 B15R0.164 CC(=O)NCCOCCCCCCCCBr 7a_100009813846_100000189650 [0,1,0,0,0,0|3,0,0]=4 3015 B15R0.164 CC(=O)NCCOCCCCCCCCCl 7a_100000033203_100000189650 [0,1,0,0,0,0|3,0,0]=4 3016 B15R0.164 CC(=O)NCCOCCCCCCCCO 34a_100000158858_100000033203 [0,1,0,0,0,0|2,0,0]=3 3017 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000033203_100000189650 [0,1,0,0,0,0|2,0,0]=3 3018 B15R0.164 CC(=O)NCCSCCCCCCCCO 62a_100000189650_100000033203 [0,1,0,0,0,0|2,0,0]=3 3019 B15R0.164 CC(=O)OCCCCCNCCCCCO 2230a_100000762737_100009813381 [0,1,0,0,0,0|2,0,0]=3 3020 B15R0.164 CC(=O)OCCCCCNCCCCCO 34a_100000762737_100000033007 [0,1,0,0,0,0|2,0,0]=3 3021 B15R0.164 CC(=O)OCCCCCNCCOCCO 2230a_100000211614_100009813381 [0,1,0,0,0,0|3,0,0]=4 3022 B15R0.164 CC(=O)OCCCCCNCCOCCO 34a_100000211614_100000033007 [0,1,0,0,0,0|3,0,0]=4 3023 B15R0.164 CC(=O)OCCCCCNCCSCCO 2230a_100011219999_100009813381 [0,1,0,0,0,0|3,0,0]=4 3024 B15R0.164 CC(=O)OCCCCCOCCCCCBr 34a_100000746331_100000033007 [0,1,0,0,0,0|3,0,0]=4 3025 B15R0.164 CC(=O)OCCCCCOCCCCCBr 7a_100000746331_100000033007 [0,1,0,0,0,0|3,0,0]=4 3026 B15R0.164 CC(=O)OCCCCCOCCCCCCl 34a_100000746330_100000033007 [0,1,0,0,0,0|3,0,0]=4 3027 B15R0.164 CC(=O)OCCCCCOCCCCCCl 7a_100000746330_100000033007 [0,1,0,0,0,0|3,0,0]=4 3028 B15R0.164 CC(=O)OCCCCCOCCCCCI 34a_200012148887_100000033007 [0,1,0,0,0,0|3,0,0]=4 3029 B15R0.164 CC(=O)OCCCCCOCCCCCI 7a_200012148887_100000033007 [0,1,0,0,0,0|3,0,0]=4 3030 B15R0.164 CC(=O)OCCCCCOCCCCCN 34a_100000762737_100000033007 [0,1,0,0,0,0|3,0,0]=4 3031 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000033007_100000729378 [0,1,0,0,0,0|3,0,0]=4 3032 B15R0.164 CC(=O)OCCCCCSCCCCCF 62a_100000729378_100000033007 [0,1,0,0,0,0|3,0,0]=4 3033 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000033007_100000746330 [0,1,0,0,0,0|2,0,0]=3 3034 B15R0.164 CC(=O)OCCCCCSCCCCCO 62a_100000746330_100000033007 [0,1,0,0,0,0|2,0,0]=3 3035 B15R0.164 CC(=O)OCCCCCSCCOCCO 62a_100000033007_100011215305 [0,1,0,0,0,0|3,0,0]=4 3036 B15R0.164 CC(=O)OCCCCCSCCOCCO 62a_100011215305_100000033007 [0,1,0,0,0,0|3,0,0]=4 3037 B15R0.164 CC(=O)OCCCCNCCCCCCO 34a_100000686447_100000033659 [0,1,0,0,0,0|2,0,0]=3 3038 B15R0.164 CC(=O)OCCCCOCCCCCCBr 34a_100011215345_100000033659 [0,1,0,0,0,0|3,0,0]=4 3039 B15R0.164 CC(=O)OCCCCOCCCCCCBr 7a_100011215345_100000033659 [0,1,0,0,0,0|3,0,0]=4 3040 B15R0.164 CC(=O)OCCCCOCCCCCCCl 34a_100000766143_100000033659 [0,1,0,0,0,0|3,0,0]=4 3041 B15R0.164 CC(=O)OCCCCOCCCCCCCl 7a_100000766143_100000033659 [0,1,0,0,0,0|3,0,0]=4 3042 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000073216_100015922095 [0,1,0,0,0,0|3,0,0]=4 3043 B15R0.164 CC(=O)OCCCCOCCCCCCF 34a_100000732779_100000033659 [0,1,0,0,0,0|3,0,0]=4 3044 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000073216_100015922095 [0,1,0,0,0,0|3,0,0]=4 3045 B15R0.164 CC(=O)OCCCCOCCCCCCF 7a_100000732779_100000033659 [0,1,0,0,0,0|3,0,0]=4 3046 B15R0.164 CC(=O)OCCCCOCCCCCCN 34a_100000686447_100000033659 [0,1,0,0,0,0|3,0,0]=4 3047 B15R0.164 CC(=O)OCCCCOCCCCCCO 34a_100000073216_100000766143 [0,1,0,0,0,0|2,0,0]=3 3048 B15R0.164 CC(=O)OCCCCOCCCCCCO 7a_100000073216_100000766143 [0,1,0,0,0,0|2,0,0]=3 3049 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100000033659_100015922095 [0,1,0,0,0,0|3,0,0]=4 3050 B15R0.164 CC(=O)OCCCCSCCCCCCF 62a_100015922095_100000033659 [0,1,0,0,0,0|3,0,0]=4 3051 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000033659_100000766143 [0,1,0,0,0,0|2,0,0]=3 3052 B15R0.164 CC(=O)OCCCCSCCCCCCO 62a_100000766143_100000033659 [0,1,0,0,0,0|2,0,0]=3 3053 B15R0.164 CC(=O)OCCCNCCCCCCCO 34a_100011996573_100000042594 [0,1,0,0,0,0|2,0,0]=3 3054 B15R0.164 CC(=O)OCCCNCCCOCCCO 34a_100011310245_100000042594 [0,1,0,0,0,0|3,0,0]=4 3055 B15R0.164 CC(=O)OCCCOCCCCCCCBr 34a_100000760002_100000042594 [0,1,0,0,0,0|3,0,0]=4 3056 B15R0.164 CC(=O)OCCCOCCCCCCCBr 7a_100000760002_100000042594 [0,1,0,0,0,0|3,0,0]=4 3057 B15R0.164 CC(=O)OCCCOCCCCCCCN 34a_100011996573_100000042594 [0,1,0,0,0,0|3,0,0]=4 3058 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000042594_100000760002 [0,1,0,0,0,0|2,0,0]=3 3059 B15R0.164 CC(=O)OCCCSCCCCCCCO 62a_100000760002_100000042594 [0,1,0,0,0,0|2,0,0]=3 3060 B15R0.164 CC(=O)OCCNCCCCCCCCO 34a_102515433106_100009814007 [0,1,0,0,0,0|2,0,0]=3 3061 B15R0.164 CC(=O)OCCOCCCCCCCCBr 34a_100009813846_100009814007 [0,1,0,0,0,0|3,0,0]=4 3062 B15R0.164 CC(=O)OCCOCCCCCCCCBr 7a_100009813846_100009814007 [0,1,0,0,0,0|3,0,0]=4 3063 B15R0.164 CC(=O)OCCOCCCCCCCCCl 34a_100000033203_100009814007 [0,1,0,0,0,0|3,0,0]=4 3064 B15R0.164 CC(=O)OCCOCCCCCCCCCl 7a_100000033203_100009814007 [0,1,0,0,0,0|3,0,0]=4 3065 B15R0.164 CC(=O)OCCOCCCCCCCCN 34a_102515433106_100009814007 [0,1,0,0,0,0|3,0,0]=4 3066 B15R0.164 CC(=O)OCCOCCNCCCCCO 2230a_100000762737_200000083610 [0,1,0,0,0,0|3,0,0]=4 3067 B15R0.164 CC(=O)OCCOCCNCCCCCO 34a_100000762737_200000083610 [0,1,0,0,0,0|3,0,0]=4 3068 B15R0.164 CC(=O)OCCOCCSCCCCCO 62a_100000746330_200000083610 [0,1,0,0,0,0|3,0,0]=4 3069 B15R0.164 CC(=O)OCCOCCSCCCCCO 62a_200000083610_100000746330 [0,1,0,0,0,0|3,0,0]=4 3070 B15R0.164 CC(=O)OCCOCNCCCCCCO 34a_100000686447_100000076355 [0,1,0,0,0,0|3,0,0]=4 3071 B15R0.164 CC(=O)OCCOCSCCCCCCO 62a_100000076355_100000766143 [0,1,0,0,0,0|3,0,0]=4 3072 B15R0.164 CC(=O)OCCOCSCCCCCCO 62a_100000766143_100000076355 [0,1,0,0,0,0|3,0,0]=4 3073 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100000033203_100009814007 [0,1,0,0,0,0|2,0,0]=3 3074 B15R0.164 CC(=O)OCCSCCCCCCCCO 62a_100009814007_100000033203 [0,1,0,0,0,0|2,0,0]=3 3075 B15R0.164 CC(=O)OCNCCCCCCCCCO 34a_100000078944_100009813279 [0,1,0,0,0,0|2,0,0]=3 3076 B15R0.164 CC(=O)OCOCCCCCCCCCBr 34a_100009813782_100009813279 [0,1,0,0,0,0|3,0,0]=4 3077 B15R0.164 CC(=O)OCOCCCCCCCCCCl 34a_100009868337_100009813279 [0,1,0,0,0,0|3,0,0]=4 3078 B15R0.164 CC(=O)OCOCCCCCCCCCN 34a_100000078944_100009813279 [0,1,0,0,0,0|3,0,0]=4 3079 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100000076356_100009813782 [0,1,0,0,0,0|2,0,0]=3 3080 B15R0.164 CC(=O)OCSCCCCCCCCCO 62a_100009813782_100000076356 [0,1,0,0,0,0|2,0,0]=3 3081 B15R0.164 CC(=O)SCCCCNCCCCCCO 2230a_100000686447_200010402107 [0,1,0,0,0,0|2,0,0]=3 3082 B15R0.164 CC(=O)SCCCCNCCCCCCO 34a_100000686447_200010402107 [0,1,0,0,0,0|2,0,0]=3 3083 B15R0.164 CC(=O)SCCCCOCCCCCCBr 34a_100011215345_200010402107 [0,1,0,0,0,0|3,0,0]=4 3084 B15R0.164 CC(=O)SCCCCOCCCCCCBr 7a_100011215345_200010402107 [0,1,0,0,0,0|3,0,0]=4 3085 B15R0.164 CC(=O)SCCCCOCCCCCCCl 34a_100000766143_200010402107 [0,1,0,0,0,0|3,0,0]=4 3086 B15R0.164 CC(=O)SCCCCOCCCCCCCl 7a_100000766143_200010402107 [0,1,0,0,0,0|3,0,0]=4 3087 B15R0.164 CC(=O)SCCCCOCCCCCCF 34a_100000732779_200010402107 [0,1,0,0,0,0|3,0,0]=4 3088 B15R0.164 CC(=O)SCCCCOCCCCCCF 7a_100000732779_200010402107 [0,1,0,0,0,0|3,0,0]=4 3089 B15R0.164 CC(=O)SCCCCOCCCCCCN 34a_100000686447_200010402107 [0,1,0,0,0,0|3,0,0]=4 3090 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_100015922095_200010402107 [0,1,0,0,0,0|3,0,0]=4 3091 B15R0.164 CC(=O)SCCCCSCCCCCCF 62a_200010402107_100015922095 [0,1,0,0,0,0|3,0,0]=4 3092 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_100000766143_200010402107 [0,1,0,0,0,0|2,0,0]=3 3093 B15R0.164 CC(=O)SCCCCSCCCCCCO 62a_200010402107_100000766143 [0,1,0,0,0,0|2,0,0]=3 3094 B15R0.164 CC(=O)SCCCNCCCCCCCO 2230a_100011996573_100000038929 [0,1,0,0,0,0|2,0,0]=3 3095 B15R0.164 CC(=O)SCCCNCCCCCCCO 34a_100011996573_100000038929 [0,1,0,0,0,0|2,0,0]=3 3096 B15R0.164 CC(=O)SCCCNCCCOCCCO 2230a_100011310245_100000038929 [0,1,0,0,0,0|3,0,0]=4 3097 B15R0.164 CC(=O)SCCCNCCCOCCCO 34a_100011310245_100000038929 [0,1,0,0,0,0|3,0,0]=4 3098 B15R0.164 CC(=O)SCCCOCCCCCCCBr 34a_100000760002_100000038929 [0,1,0,0,0,0|3,0,0]=4 3099 B15R0.164 CC(=O)SCCCOCCCCCCCBr 7a_100000760002_100000038929 [0,1,0,0,0,0|3,0,0]=4 3100 B15R0.164 CC(=O)SCCCOCCCCCCCN 34a_100011996573_100000038929 [0,1,0,0,0,0|3,0,0]=4 3101 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000038929_100000760002 [0,1,0,0,0,0|2,0,0]=3 3102 B15R0.164 CC(=O)SCCCSCCCCCCCO 62a_100000760002_100000038929 [0,1,0,0,0,0|2,0,0]=3 3103 B15R0.164 CC(=S)OCCCNCCCCCCCO 2230a_100011996573_200135323944 [0,1,0,0,0,0|2,1,0]=4 3104 B15R0.164 CC(=S)OCCCNCCCCCCCO 34a_100011996573_200135323944 [0,1,0,0,0,0|2,1,0]=4 3105 B15R0.164 CC(=S)OCCCSCCCCCCCO 62a_100000760002_200135323944 [0,1,0,0,0,0|2,1,0]=4 3106 B15R0.164 CC(=S)OCCCSCCCCCCCO 62a_200135323944_100000760002 [0,1,0,0,0,0|2,1,0]=4 3107 B15R0.164 CC(Br)CCOCCCCCCCCCO 34a_100009893172_100009813782 [0,1,0,0,0,0|2,0,1]=4 3108 B15R0.164 CC(Br)COCCCCCCCCCCO 34a_100012180447_100009813290 [0,1,0,0,0,0|2,0,1]=4 3109 B15R0.164 CC(C)CCCCCCCOCCCCO 34a_200000210741_100011216708 [0,1,0,0,0,0|2,0,1]=4 3110 B15R0.164 CC(C)CCCCCCCOCCCCO 7a_200000210741_100000210776 [0,1,0,0,0,0|2,0,1]=4 3111 B15R0.164 CC(C)CCCCCCNCCCCCO 2230a_100000211014_100000746330 [0,1,0,0,0,0|2,0,1]=4 3112 B15R0.164 CC(C)CCCCCCNCCCCCO 34a_100000211014_100000746330 [0,1,0,0,0,0|2,0,1]=4 3113 B15R0.164 CC(C)CCCCCNCCCCCCO 2230a_100000686447_100000210682 [0,1,0,0,0,0|2,0,1]=4 3114 B15R0.164 CC(C)CCCCCNCCCCCCO 2230a_100011290863_100000766143 [0,1,0,0,0,0|2,0,1]=4 3115 B15R0.164 CC(C)CCCCCNCCCCCCO 34a_100000686447_100000210682 [0,1,0,0,0,0|2,0,1]=4 3116 B15R0.164 CC(C)CCCCCNCCCCCCO 34a_100011290863_100000766143 [0,1,0,0,0,0|2,0,1]=4 3117 B15R0.164 CC(C)CCCCCOCCCCCCO 34a_100011995859_100000766143 [0,1,0,0,0,0|2,0,1]=4 3118 B15R0.164 CC(C)CCCCCOCCCCCCO 7a_100011995859_100000766143 [0,1,0,0,0,0|2,0,1]=4 3119 B15R0.164 CC(C)CCCCCSCCCCCCO 62a_100000210682_100000766143 [0,1,0,0,0,0|2,0,1]=4 3120 B15R0.164 CC(C)CCCCCSCCCCCCO 62a_100000766143_100000210682 [0,1,0,0,0,0|2,0,1]=4 3121 B15R0.164 CC(C)CCCCNCCCCCCCO 2230a_100011996573_100011216152 [0,1,0,0,0,0|2,0,1]=4 3122 B15R0.164 CC(C)CCCCNCCCCCCCO 34a_100011996573_100011216152 [0,1,0,0,0,0|2,0,1]=4 3123 B15R0.164 CC(C)CCCCOCCCCCCCO 34a_100011214890_100000760002 [0,1,0,0,0,0|2,0,1]=4 3124 B15R0.164 CC(C)CCCCOCCCCCCCO 7a_100011214890_100000760002 [0,1,0,0,0,0|2,0,1]=4 3125 B15R0.164 CC(C)CCCCSCCCCCCCO 62a_100000760002_100011216152 [0,1,0,0,0,0|2,0,1]=4 3126 B15R0.164 CC(C)CCCCSCCCCCCCO 62a_100011216152_100000760002 [0,1,0,0,0,0|2,0,1]=4 3127 B15R0.164 CC(C)CCCNCCCCCCCCO 2230a_102515433106_100011214892 [0,1,0,0,0,0|2,0,1]=4 3128 B15R0.164 CC(C)CCCNCCCCCCCCO 2230a_200000737386_100000033203 [0,1,0,0,0,0|2,0,1]=4 3129 B15R0.164 CC(C)CCCNCCCCCCCCO 34a_102515433106_100011214892 [0,1,0,0,0,0|2,0,1]=4 3130 B15R0.164 CC(C)CCCNCCCCCCCCO 34a_200000737386_100000033203 [0,1,0,0,0,0|2,0,1]=4 3131 B15R0.164 CC(C)CCCOCCCCCCCCO 34a_100000210774_100000033203 [0,1,0,0,0,0|2,0,1]=4 3132 B15R0.164 CC(C)CCCOCCCCCCCCO 7a_100000210774_100000033203 [0,1,0,0,0,0|2,0,1]=4 3133 B15R0.164 CC(C)CCCSCCCCCCCCO 62a_100000033203_100011214892 [0,1,0,0,0,0|2,0,1]=4 3134 B15R0.164 CC(C)CCCSCCCCCCCCO 62a_100011214892_100000033203 [0,1,0,0,0,0|2,0,1]=4 3135 B15R0.164 CC(C)CCNCCCCCCCCCO 2230a_100000078944_100000210312 [0,1,0,0,0,0|2,0,1]=4 3136 B15R0.164 CC(C)CCNCCCCCCCCCO 269862a_100000078944_100000185833 [0,1,0,0,0,0|2,0,1]=4 3137 B15R0.164 CC(C)CCNCCCCCCCCCO 34a_100000078944_100000210312 [0,1,0,0,0,0|2,0,1]=4 3138 B15R0.164 CC(C)CCOCCCCCCCCCO 34a_100000210254_100009813782 [0,1,0,0,0,0|2,0,1]=4 3139 B15R0.164 CC(C)CCOCCCCCCCCCO 7a_100000210254_100009813782 [0,1,0,0,0,0|2,0,1]=4 3140 B15R0.164 CC(C)CCSCCCCCCCCCO 62a_100000210312_100009813782 [0,1,0,0,0,0|2,0,1]=4 3141 B15R0.164 CC(C)CCSCCCCCCCCCO 62a_100009813782_100000210312 [0,1,0,0,0,0|2,0,1]=4 3142 B15R0.164 CC(C)CNCCCCCCCCCCO 2230a_100000066964_100000210760 [0,1,0,0,0,0|2,0,1]=4 3143 B15R0.164 CC(C)CNCCCCCCCCCCO 2230a_100000210953_100009813290 [0,1,0,0,0,0|2,0,1]=4 3144 B15R0.164 CC(C)CNCCCCCCCCCCO 270004a_100000066964_100000210432 [0,1,0,0,0,0|2,0,1]=4 3145 B15R0.164 CC(C)CNCCCCCCCCCCO 34a_100000066964_100000210624 [0,1,0,0,0,0|2,0,1]=4 3146 B15R0.164 CC(C)CNCCCCCCCCCCO 34a_100000210953_100009813290 [0,1,0,0,0,0|2,0,1]=4 3147 B15R0.164 CC(C)COCCCCCCCCCCO 34a_100000210257_100009813290 [0,1,0,0,0,0|2,0,1]=4 3148 B15R0.164 CC(C)CSCCCCCCCCCCO 62a_100000210624_200000033068 [0,1,0,0,0,0|2,0,1]=4 3149 B15R0.164 CC(C)CSCCCCCCCCCCO 62a_100009813290_100000210760 [0,1,0,0,0,0|2,0,1]=4 3150 B15R0.164 CC(C)NCCCCCCCCCCCO 2230a_100138425928_100009812471 [0,1,0,0,0,0|2,0,1]=4 3151 B15R0.164 CC(C)NCCCCCCCCCCCO 34a_100138425928_100009812471 [0,1,0,0,0,0|2,0,1]=4 3152 B15R0.164 CC(C)OCCCCCCCCCCCO 34a_100000212225_100009812471 [0,1,0,0,0,0|2,0,1]=4 3153 B15R0.164 CC(C)SCCCCCCCCCCCO 62a_100009812471_100000210206 [0,1,0,0,0,0|2,0,1]=4 3154 B15R0.164 CC(F)COCCCCCCCCCCO 34a_100015925927_100009813290 [0,1,0,0,0,0|2,0,1]=4 3155 B15R0.164 CC(O)CCCNCCCCCCCCO 2230a_102515433106_200000718107 [0,1,0,0,0,0|1,0,1]=3 3156 B15R0.164 CC(O)CCCNCCCCCCCCO 34a_102515433106_200000718107 [0,1,0,0,0,0|1,0,1]=3 3157 B15R0.164 CC(O)CCCOCCCCCCCCBr 34a_100009813846_200000718107 [0,1,0,0,0,0|2,0,1]=4 3158 B15R0.164 CC(O)CCCOCCCCCCCCBr 7a_100009813846_200000718107 [0,1,0,0,0,0|2,0,1]=4 3159 B15R0.164 CC(O)CCCOCCCCCCCCCl 34a_100000033203_200000718107 [0,1,0,0,0,0|2,0,1]=4 3160 B15R0.164 CC(O)CCCOCCCCCCCCCl 7a_100000033203_200000718107 [0,1,0,0,0,0|2,0,1]=4 3161 B15R0.164 CC(O)CCCOCCCCCCCCN 34a_102515433106_200000718107 [0,1,0,0,0,0|2,0,1]=4 3162 B15R0.164 CC(O)CCCSCCCCCCCCO 62a_100000033203_200000718107 [0,1,0,0,0,0|1,0,1]=3 3163 B15R0.164 CC(O)CCCSCCCCCCCCO 62a_200000718107_100000033203 [0,1,0,0,0,0|1,0,1]=3 3164 B15R0.164 CC(O)CCNCCCCCCCCCO 2230a_100000078944_100012276601 [0,1,0,0,0,0|1,0,1]=3 3165 B15R0.164 CC(O)CCNCCCCCCCCCO 2230a_200000755665_100009813782 [0,1,0,0,0,0|1,0,1]=3 3166 B15R0.164 CC(O)CCNCCCCCCCCCO 34a_100000078944_100012276601 [0,1,0,0,0,0|1,0,1]=3 3167 B15R0.164 CC(O)CCOCCCCCCCCCBr 34a_100009813782_100012276601 [0,1,0,0,0,0|2,0,1]=4 3168 B15R0.164 CC(O)CCOCCCCCCCCCBr 7a_100009813782_100012276601 [0,1,0,0,0,0|2,0,1]=4 3169 B15R0.164 CC(O)CCOCCCCCCCCCCl 34a_100009868337_100012276601 [0,1,0,0,0,0|2,0,1]=4 3170 B15R0.164 CC(O)CCOCCCCCCCCCCl 7a_100009868337_100012276601 [0,1,0,0,0,0|2,0,1]=4 3171 B15R0.164 CC(O)CCOCCCCCCCCCN 34a_100000078944_100012276601 [0,1,0,0,0,0|2,0,1]=4 3172 B15R0.164 CC(O)CCSCCCCCCCCCO 62a_100009813782_100012276601 [0,1,0,0,0,0|1,0,1]=3 3173 B15R0.164 CC(O)CCSCCCCCCCCCO 62a_100012276601_100009813782 [0,1,0,0,0,0|1,0,1]=3 3174 B15R0.164 CC(O)CNCCCCCCCCCCO 2230a_100000066964_100011218427 [0,1,0,0,0,0|1,0,1]=3 3175 B15R0.164 CC(O)CNCCCCCCCCCCO 2230a_100000210904_100009813290 [0,1,0,0,0,0|1,0,1]=3 3176 B15R0.164 CC(O)CNCCCCCCCCCCO 34a_100000066964_100011218427 [0,1,0,0,0,0|1,0,1]=3 3177 B15R0.164 CC(O)CNCCCCCCCCCCO 34a_100000210904_100009813290 [0,1,0,0,0,0|1,0,1]=3 3178 B15R0.164 CC(O)COCCCCCCCCCCBr 34a_100009813290_100011218427 [0,1,0,0,0,0|2,0,1]=4 3179 B15R0.164 CC(O)COCCCCCCCCCCBr 7a_100009813290_100011218427 [0,1,0,0,0,0|2,0,1]=4 3180 B15R0.164 CC(O)COCCCCCCCCCCCl 34a_200000033068_100011218427 [0,1,0,0,0,0|2,0,1]=4 3181 B15R0.164 CC(O)COCCCCCCCCCCCl 7a_200000033068_100011218427 [0,1,0,0,0,0|2,0,1]=4 3182 B15R0.164 CC(O)COCCCCCCCCCCN 34a_100000066964_100011218427 [0,1,0,0,0,0|2,0,1]=4 3183 B15R0.164 CC(O)CSCCCCCCCCCCO 62a_100009813290_100011218427 [0,1,0,0,0,0|1,0,1]=3 3184 B15R0.164 CC(O)CSCCCCCCCCCCO 62a_100011218427_200000033068 [0,1,0,0,0,0|1,0,1]=3 3185 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [0,1,0,0,0,0|2,0,0]=3 3186 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [0,1,0,0,0,0|2,0,0]=3 3187 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [0,1,0,0,0,0|2,0,0]=3 3188 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [0,1,0,0,0,0|2,0,0]=3 3189 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [0,1,0,0,0,0|2,0,0]=3 3190 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [0,1,0,0,0,0|2,0,0]=3 3191 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [0,1,0,0,0,0|2,0,0]=3 3192 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [0,1,0,0,0,0|1,0,0]=2 3193 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [0,1,0,0,0,0|1,0,1]=3 3194 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [0,1,0,0,0,0|2,0,1]=4 3195 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [0,1,0,0,0,0|2,0,1]=4 3196 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [0,1,0,0,0,0|2,0,1]=4 3197 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [0,1,0,0,0,0|2,0,1]=4 3198 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [0,1,0,0,0,0|2,0,1]=4 3199 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [0,1,0,0,0,0|2,0,1]=4 3200 B15R0.164 CCCCCCCCCCCNC[N+](=O)[O-] 34a_200011215754_100000761209 [0,1,0,0,0,0|2,0,1]=4 3201 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [0,1,0,0,0,0|2,0,0]=3 3202 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [0,1,0,0,0,0|2,0,0]=3 3203 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [0,1,0,0,0,0|2,0,0]=3 3204 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [0,1,0,0,0,0|1,0,1]=3 3205 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [0,1,0,0,0,0|2,0,1]=4 3206 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [0,1,0,0,0,0|2,0,1]=4 3207 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [0,1,0,0,0,0|2,0,1]=4 3208 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [0,1,0,0,0,0|2,0,1]=4 3209 B15R0.164 CCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210809_100000761209 [0,1,0,0,0,0|2,0,1]=4 3210 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [0,1,0,0,0,0|2,0,0]=3 3211 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [0,1,0,0,0,0|1,0,1]=3 3212 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [0,1,0,0,0,0|2,0,1]=4 3213 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [0,1,0,0,0,0|2,0,1]=4 3214 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [0,1,0,0,0,0|2,0,0]=3 3215 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [0,1,0,0,0,0|2,0,0]=3 3216 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_100000684558_100012276601 [0,1,0,0,0,0|2,0,1]=4 3217 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_200000755665_100000210320 [0,1,0,0,0,0|2,0,1]=4 3218 B15R0.164 CCCCCCCCCCNCCC(C)O 34a_100000684558_100012276601 [0,1,0,0,0,0|2,0,1]=4 3219 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [0,1,0,0,0,0|3,0,0]=4 3220 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [0,1,0,0,0,0|2,0,0]=3 3221 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [0,1,0,0,0,0|2,0,0]=3 3222 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [0,1,0,0,0,0|2,0,0]=3 3223 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [0,1,0,0,0,0|2,0,0]=3 3224 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [0,1,0,0,0,0|2,0,0]=3 3225 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [0,1,0,0,0,0|2,0,0]=3 3226 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [0,1,0,0,0,0|2,0,0]=3 3227 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [0,1,0,0,0,0|2,0,0]=3 3228 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [0,1,0,0,0,0|2,0,1]=4 3229 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [0,1,0,0,0,0|2,0,1]=4 3230 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [0,1,0,0,0,0|3,0,0]=4 3231 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [0,1,0,0,0,0|2,0,0]=3 3232 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [0,1,0,0,0,0|2,0,0]=3 3233 B15R0.164 CCCCCCCCCCSCCC(C)O 62a_100012276601_100000210320 [0,1,0,0,0,0|2,0,1]=4 3234 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [0,1,0,0,0,0|3,0,0]=4 3235 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [0,1,0,0,0,0|2,0,0]=3 3236 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [0,1,0,0,0,0|2,0,0]=3 3237 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [0,1,0,0,0,0|2,0,0]=3 3238 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [0,1,0,0,0,0|2,0,1]=4 3239 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [0,1,0,0,0,0|2,0,1]=4 3240 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [0,1,0,0,0,0|3,0,0]=4 3241 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [0,1,0,0,0,0|3,0,0]=4 3242 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [0,1,0,0,0,0|3,0,0]=4 3243 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [0,1,0,0,0,0|3,0,0]=4 3244 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [0,1,0,0,0,0|3,0,0]=4 3245 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [0,1,0,0,0,0|3,0,0]=4 3246 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [0,1,0,0,0,0|3,0,0]=4 3247 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [0,1,0,0,0,0|2,0,0]=3 3248 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [0,1,0,0,0,0|2,0,0]=3 3249 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [0,1,0,0,0,0|2,0,0]=3 3250 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [0,1,0,0,0,0|2,0,0]=3 3251 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [0,1,0,0,0,0|2,0,0]=3 3252 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [0,1,0,0,0,0|2,0,0]=3 3253 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [0,1,0,0,0,0|2,0,1]=4 3254 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [0,1,0,0,0,0|2,0,1]=4 3255 B15R0.164 CCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011214924 [0,1,0,0,0,0|2,0,1]=4 3256 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [0,1,0,0,0,0|3,0,0]=4 3257 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [0,1,0,0,0,0|3,0,0]=4 3258 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [0,1,0,0,0,0|3,0,0]=4 3259 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [0,1,0,0,0,0|3,0,0]=4 3260 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [0,1,0,0,0,0|3,0,0]=4 3261 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [0,1,0,0,0,0|3,0,0]=4 3262 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [0,1,0,0,0,0|3,0,0]=4 3263 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [0,1,0,0,0,0|3,0,0]=4 3264 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [0,1,0,0,0,0|3,0,0]=4 3265 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [0,1,0,0,0,0|2,0,0]=3 3266 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [0,1,0,0,0,0|2,0,0]=3 3267 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [0,1,0,0,0,0|2,0,1]=4 3268 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [0,1,0,0,0,0|3,0,0]=4 3269 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [0,1,0,0,0,0|3,0,0]=4 3270 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [0,1,0,0,0,0|3,0,0]=4 3271 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [0,1,0,0,0,0|3,0,0]=4 3272 B15R0.164 CCCCCCCCNCCCCB(O)O 2230a_100000229939_200009817182 [0,1,0,0,0,0|2,0,1]=4 3273 B15R0.164 CCCCCCCCNCCCCB(O)O 34a_100000229939_200009817182 [0,1,0,0,0,0|2,0,1]=4 3274 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [0,1,0,0,0,0|2,0,0]=3 3275 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [0,1,0,0,0,0|2,0,0]=3 3276 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [0,1,0,0,0,0|3,0,0]=4 3277 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [0,1,0,0,0,0|3,0,0]=4 3278 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [0,1,0,0,0,0|3,0,0]=4 3279 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [0,1,0,0,0,0|3,0,0]=4 3280 B15R0.164 CCCCCCCCNCCOCC(=O)N 2230a_100000229939_100000076697 [0,1,0,0,0,0|3,0,0]=4 3281 B15R0.164 CCCCCCCCNCCOCC(=O)N 34a_100000229939_100000076697 [0,1,0,0,0,0|3,0,0]=4 3282 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [0,1,0,0,0,0|2,0,0]=3 3283 B15R0.164 CCCCCCCCOCCCCB(O)O 34a_100000210232_200009817182 [0,1,0,0,0,0|2,0,1]=4 3284 B15R0.164 CCCCCCCCOCCCCB(O)O 7a_100000210232_200009817182 [0,1,0,0,0,0|2,0,1]=4 3285 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [0,1,0,0,0,0|2,0,0]=3 3286 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [0,1,0,0,0,0|2,0,0]=3 3287 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [0,1,0,0,0,0|2,0,0]=3 3288 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [0,1,0,0,0,0|2,0,0]=3 3289 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210759 [0,1,0,0,0,0|2,0,1]=4 3290 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210759 [0,1,0,0,0,0|2,0,1]=4 3291 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [0,1,0,0,0,0|3,0,0]=4 3292 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [0,1,0,0,0,0|3,0,0]=4 3293 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [0,1,0,0,0,0|3,0,0]=4 3294 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [0,1,0,0,0,0|3,0,0]=4 3295 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [0,1,0,0,0,0|3,0,0]=4 3296 B15R0.164 CCCCCCCCOCCOCC(=O)N 34a_100000210232_100000076697 [0,1,0,0,0,0|3,0,0]=4 3297 B15R0.164 CCCCCCCCOCCOCC(=O)N 7a_100000210232_100000076697 [0,1,0,0,0,0|3,0,0]=4 3298 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_100000210759_200009817182 [0,1,0,0,0,0|2,0,1]=4 3299 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_200009817182_100000210317 [0,1,0,0,0,0|2,0,1]=4 3300 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [0,1,0,0,0,0|2,0,0]=3 3301 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [0,1,0,0,0,0|2,0,0]=3 3302 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [0,1,0,0,0,0|3,0,0]=4 3303 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [0,1,0,0,0,0|3,0,0]=4 3304 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [0,1,0,0,0,0|3,0,0]=4 3305 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [0,1,0,0,0,0|3,0,0]=4 3306 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210317 [0,1,0,0,0,0|3,0,0]=4 3307 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000210759_100000076697 [0,1,0,0,0,0|3,0,0]=4 3308 B15R0.164 CCCCCCCNCCCCCB(O)O 2230a_100000229938_200009817188 [0,1,0,0,0,0|2,0,1]=4 3309 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [0,1,0,0,0,0|2,0,0]=3 3310 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [0,1,0,0,0,0|3,0,0]=4 3311 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [0,1,0,0,0,0|3,0,0]=4 3312 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [0,1,0,0,0,0|3,0,0]=4 3313 B15R0.164 CCCCCCCOCCCCCB(O)O 34a_100000210272_200009817188 [0,1,0,0,0,0|2,0,1]=4 3314 B15R0.164 CCCCCCCOCCCCCB(O)O 7a_100000210272_200009817188 [0,1,0,0,0,0|2,0,1]=4 3315 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [0,1,0,0,0,0|2,0,0]=3 3316 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [0,1,0,0,0,0|2,0,0]=3 3317 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [0,1,0,0,0,0|2,0,0]=3 3318 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [0,1,0,0,0,0|2,0,0]=3 3319 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [0,1,0,0,0,0|1,0,1]=3 3320 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [0,1,0,0,0,0|3,0,0]=4 3321 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [0,1,0,0,0,0|3,0,0]=4 3322 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [0,1,0,0,0,0|3,0,0]=4 3323 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [0,1,0,0,0,0|3,0,0]=4 3324 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [0,1,0,0,0,0|3,0,0]=4 3325 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [0,1,0,0,0,0|3,0,0]=4 3326 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_100000210614_200009817188 [0,1,0,0,0,0|2,0,1]=4 3327 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_200009817188_100000210316 [0,1,0,0,0,0|2,0,1]=4 3328 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [0,1,0,0,0,0|2,0,0]=3 3329 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [0,1,0,0,0,0|2,0,0]=3 3330 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [0,1,0,0,0,0|3,0,0]=4 3331 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [0,1,0,0,0,0|3,0,0]=4 3332 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [0,1,0,0,0,0|3,0,0]=4 3333 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [0,1,0,0,0,0|3,0,0]=4 3334 B15R0.164 CCCCCCNCCCCCCB(O)O 2230a_100000210581_100009817187 [0,1,0,0,0,0|2,0,1]=4 3335 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [0,1,0,0,0,0|3,0,0]=4 3336 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [0,1,0,0,0,0|3,0,0]=4 3337 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [0,1,0,0,0,0|3,0,0]=4 3338 B15R0.164 CCCCCCOCCCCCCB(O)O 34a_100000210259_100009817187 [0,1,0,0,0,0|2,0,1]=4 3339 B15R0.164 CCCCCCOCCCCCCB(O)O 7a_100000210259_100009817187 [0,1,0,0,0,0|2,0,1]=4 3340 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [0,1,0,0,0,0|3,0,0]=4 3341 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [0,1,0,0,0,0|3,0,0]=4 3342 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [0,1,0,0,0,0|3,0,0]=4 3343 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [0,1,0,0,0,0|3,0,0]=4 3344 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [0,1,0,0,0,0|3,0,0]=4 3345 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [0,1,0,0,0,0|3,0,0]=4 3346 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100000210314_100009817187 [0,1,0,0,0,0|2,0,1]=4 3347 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100009817187_100000210757 [0,1,0,0,0,0|2,0,1]=4 3348 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [0,1,0,0,0,0|3,0,0]=4 3349 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [0,1,0,0,0,0|3,0,0]=4 3350 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [0,1,0,0,0,0|3,0,0]=4 3351 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [0,1,0,0,0,0|3,0,0]=4 3352 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [0,1,0,0,0,0|3,0,0]=4 3353 B15R0.164 CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210326 [0,1,0,0,0,0|3,0,0]=4 3354 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [0,1,0,0,0,0|3,0,0]=4 3355 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [0,1,0,0,0,0|3,0,0]=4 3356 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [0,1,0,0,0,0|3,0,0]=4 3357 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [0,1,0,0,0,0|3,0,0]=4 3358 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [0,1,0,0,0,0|3,0,0]=4 3359 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [0,1,0,0,0,0|3,0,0]=4 3360 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [0,1,0,0,0,0|3,0,0]=4 3361 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [0,1,0,0,0,0|3,0,0]=4 3362 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [0,1,0,0,0,0|3,0,0]=4 3363 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [0,1,0,0,0,0|3,0,0]=4 3364 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [0,1,0,0,0,0|3,0,0]=4 3365 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000123541_100000743108 [0,1,0,0,0,0|3,0,0]=4 3366 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000210238_100009817443 [0,1,0,0,0,0|3,0,0]=4 3367 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000123541_100000743108 [0,1,0,0,0,0|3,0,0]=4 3368 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000210238_100009817443 [0,1,0,0,0,0|3,0,0]=4 3369 B15R0.164 CCCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000743108 [0,1,0,0,0,0|2,0,1]=4 3370 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100000743108_100009817443 [0,1,0,0,0,0|3,0,0]=4 3371 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100009817443_100000743108 [0,1,0,0,0,0|3,0,0]=4 3372 B15R0.164 CCCCSCCNCCCCCC(=O)N 2230a_100025743550_100009817443 [0,1,0,0,0,0|3,0,0]=4 3373 B15R0.164 CCCCSCCOCCCCCC(=O)N 34a_200000230436_100009817443 [0,1,0,0,0,0|3,0,0]=4 3374 B15R0.164 CCCCSCCOCCCCCC(=O)N 7a_200000230436_100009817443 [0,1,0,0,0,0|3,0,0]=4 3375 B15R0.164 CCCOCCCNCCCCCC(=O)N 2230a_100011217757_100009817443 [0,1,0,0,0,0|3,0,0]=4 3376 B15R0.164 CCCOCCCNCCCCCC(=O)N 34a_100011217757_100009817443 [0,1,0,0,0,0|3,0,0]=4 3377 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [0,1,0,0,0,0|2,0,0]=3 3378 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [0,1,0,0,0,0|2,0,0]=3 3379 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [0,1,0,0,0,0|2,0,0]=3 3380 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [0,1,0,0,0,0|2,0,0]=3 3381 B15R0.164 CN(C)CCCCCCCCCCCCO 2230a_100102631434_100009813331 [0,1,0,0,0,0|3,0,0]=4 3382 B15R0.164 CN(C)CCCCCCCCCCCCO 269982a_100102631434_100009813331 [0,1,0,0,0,0|3,0,0]=4 3383 B15R0.164 CN(C)CCCCCCOCCCCCO 2230a_100102631434_200132310570 [0,1,0,0,0,0|3,0,0]=4 3384 B15R0.164 CN(C)CCCCCCOCCCCCO 269982a_100102631434_200132310570 [0,1,0,0,0,0|3,0,0]=4 3385 B15R0.164 CN(C)CCCCSCCCCCCCO 62a_100000760002_100000690147 [0,1,0,0,0,0|3,0,0]=4 3386 B15R0.164 CN(C)CCCSCCCCCCCCO 62a_100000033203_100000757444 [0,1,0,0,0,0|3,0,0]=4 3387 B15R0.164 CN(C)CCSCCCCCCCCCO 62a_100009813782_100000755713 [0,1,0,0,0,0|3,0,0]=4 3388 B15R0.164 CNCCCCCOCCCCCC(=O)N 34a_100000722520_100009817443 [0,1,0,0,0,0|3,0,0]=4 3389 B15R0.164 COCCCCCCNCCCCC(=O)N 34a_100000696515_100011998445 [0,1,0,0,0,0|2,0,0]=3 3390 B15R0.164 COCCCCCCNCCCNC(=O)C 34a_100000736810_100011998445 [0,1,0,0,0,0|3,0,0]=4 3391 B15R0.164 COCCCCCCNCCOCC(=O)O 269956a_100000700818_100011998445 [0,1,0,0,0,0|2,0,0]=3 3392 B15R0.164 COCCCCCCOCCCCB(O)O 34a_200012092642_200009817182 [0,1,0,0,0,0|2,0,1]=4 3393 B15R0.164 COCCCCCCOCCCCB(O)O 7a_200012092642_200009817182 [0,1,0,0,0,0|2,0,1]=4 3394 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [0,1,0,0,0,0|2,0,0]=3 3395 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [0,1,0,0,0,0|2,0,0]=3 3396 B15R0.164 COCCCCCCOCCCCC(=O)N 34a_100012022536_100011998445 [0,1,0,0,0,0|2,0,0]=3 3397 B15R0.164 COCCCCCCOCCCCC(=O)N 7a_100012022536_100011998445 [0,1,0,0,0,0|2,0,0]=3 3398 B15R0.164 COCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011998445 [0,1,0,0,0,0|2,0,1]=4 3399 B15R0.164 COCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011998445 [0,1,0,0,0,0|2,0,1]=4 3400 B15R0.164 COCCCCCCOCCCNC(=O)C 34a_100000752032_100011998445 [0,1,0,0,0,0|3,0,0]=4 3401 B15R0.164 COCCCCCCOCCCOC(=O)C 34a_200012092642_100000042594 [0,1,0,0,0,0|3,0,0]=4 3402 B15R0.164 COCCCCCCOCCCOC(=O)C 7a_200012092642_100000042594 [0,1,0,0,0,0|3,0,0]=4 3403 B15R0.164 COCCCCCCOCCCSC(=O)C 34a_200012092642_100000038929 [0,1,0,0,0,0|3,0,0]=4 3404 B15R0.164 COCCCCCCOCCCSC(=O)C 7a_200012092642_100000038929 [0,1,0,0,0,0|3,0,0]=4 3405 B15R0.164 COCCCCCCOCCOCC(=O)N 34a_200012092642_100000076697 [0,1,0,0,0,0|3,0,0]=4 3406 B15R0.164 COCCCCCCOCCOCC(=O)N 7a_200012092642_100000076697 [0,1,0,0,0,0|3,0,0]=4 3407 B15R0.164 COCCCCCCSCCCCB(O)O 62a_100011998445_200009817182 [0,1,0,0,0,0|2,0,1]=4 3408 B15R0.164 COCCCCCCSCCCCB(O)O 62a_200009817182_100011998445 [0,1,0,0,0,0|2,0,1]=4 3409 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [0,1,0,0,0,0|2,0,0]=3 3410 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [0,1,0,0,0,0|2,0,0]=3 3411 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100000042594_100011998445 [0,1,0,0,0,0|3,0,0]=4 3412 B15R0.164 COCCCCCCSCCCOC(=O)C 62a_100011998445_100000042594 [0,1,0,0,0,0|3,0,0]=4 3413 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100000038929_100011998445 [0,1,0,0,0,0|3,0,0]=4 3414 B15R0.164 COCCCCCCSCCCSC(=O)C 62a_100011998445_100000038929 [0,1,0,0,0,0|3,0,0]=4 3415 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100000076697_100011998445 [0,1,0,0,0,0|3,0,0]=4 3416 B15R0.164 COCCCCCCSCCOCC(=O)N 62a_100011998445_100000076697 [0,1,0,0,0,0|3,0,0]=4 3417 B15R0.164 COCCCCCNCCCCCB(O)O 2230a_100000747528_200009817188 [0,1,0,0,0,0|2,0,1]=4 3418 B15R0.164 COCCCCCNCCCCCB(O)O 34a_100000747528_200009817188 [0,1,0,0,0,0|2,0,1]=4 3419 B15R0.164 COCCCCCNCCCCCC(=O)N 2230a_100000747528_100009817443 [0,1,0,0,0,0|2,0,0]=3 3420 B15R0.164 COCCCCCNCCCCCC(=O)N 34a_100000747528_100009817443 [0,1,0,0,0,0|2,0,0]=3 3421 B15R0.164 COCCCCCNCCCCOC(=O)C 34a_100000747528_100000033659 [0,1,0,0,0,0|3,0,0]=4 3422 B15R0.164 COCCCCCNCCCCSC(=O)C 2230a_100000747528_200010402107 [0,1,0,0,0,0|3,0,0]=4 3423 B15R0.164 COCCCCCNCCCCSC(=O)C 34a_100000747528_200010402107 [0,1,0,0,0,0|3,0,0]=4 3424 B15R0.164 COCCCCNCCCCCNC(=O)C 2230a_200012022750_100000730899 [0,1,0,0,0,0|3,0,0]=4 3425 B15R0.164 COCCCCNCCCCCNC(=O)C 34a_200012022750_100000755781 [0,1,0,0,0,0|3,0,0]=4 3426 B15R0.164 COCCCCOCCCCCCB(O)O 34a_100000740925_100009817187 [0,1,0,0,0,0|2,0,1]=4 3427 B15R0.164 COCCCCOCCCCCOC(=O)C 34a_100000740925_100000033007 [0,1,0,0,0,0|3,0,0]=4 3428 B15R0.164 COCCCCSCCCCCCB(O)O 62a_100000730899_100009817187 [0,1,0,0,0,0|2,0,1]=4 3429 B15R0.164 COCCCCSCCCCCCB(O)O 62a_100009817187_100000730899 [0,1,0,0,0,0|2,0,1]=4 3430 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000033007_100000730899 [0,1,0,0,0,0|3,0,0]=4 3431 B15R0.164 COCCCCSCCCCCOC(=O)C 62a_100000730899_100000033007 [0,1,0,0,0,0|3,0,0]=4 3432 B15R0.164 COCCCNCCCCCCNC(=O)C 2230a_200011996284_100000740836 [0,1,0,0,0,0|3,0,0]=4 3433 B15R0.164 COCCCNCCCCCCNC(=O)C 34a_200011996284_100000740836 [0,1,0,0,0,0|3,0,0]=4 3434 B15R0.164 COCCCNCCOCCOCC(=O)O 269956a_100009854275_100000740836 [0,1,0,0,0,0|3,0,0]=4 3435 B15R0.164 COCCCOCCCOCCCC(=O)C 34a_200011215475_100000685027 [0,1,0,0,0,0|3,0,0]=4 3436 B15R0.164 COCCCOCCCOCCCC(=O)C 7a_200011215475_100011215641 [0,1,0,0,0,0|3,0,0]=4 3437 B15R0.164 COCCCOCCCOCCCC(=O)N 34a_200011215475_100102525003 [0,1,0,0,0,0|3,0,0]=4 3438 B15R0.164 COCCCOCCCOCCCC(=O)N 7a_200011215475_100102525003 [0,1,0,0,0,0|3,0,0]=4 3439 B15R0.164 COCCOCCCNCCCCC(=O)C 34a_100000206027_100009817362 [0,1,0,0,0,0|3,0,0]=4 3440 B15R0.164 COCCOCCCNCCCCC(=O)N 34a_100000696515_100011216529 [0,1,0,0,0,0|3,0,0]=4 3441 B15R0.164 COCCOCCCNCCOCC(=O)O 269956a_100000700818_100011216529 [0,1,0,0,0,0|3,0,0]=4 3442 B15R0.164 COCCOCCCOCCCCC(=O)N 34a_100012022536_100011216529 [0,1,0,0,0,0|3,0,0]=4 3443 B15R0.164 COCCOCCCOCCCCC(=O)N 7a_100012022536_100011216529 [0,1,0,0,0,0|3,0,0]=4 3444 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100000735457_100011216529 [0,1,0,0,0,0|3,0,0]=4 3445 B15R0.164 COCCOCCCSCCCCC(=O)C 62a_100011216529_100000735457 [0,1,0,0,0,0|3,0,0]=4 3446 B15R0.164 COCCOCCNCCCCCC(=O)N 2230a_100000745349_100009817443 [0,1,0,0,0,0|3,0,0]=4 3447 B15R0.164 COCCOCCNCCCCCC(=O)N 34a_100000745349_100009817443 [0,1,0,0,0,0|3,0,0]=4 3448 B15R0.164 COCCOCCOCCCCCC(=O)N 34a_100000123541_100000695917 [0,1,0,0,0,0|3,0,0]=4 3449 B15R0.164 COCCOCCOCCCCCC(=O)N 34a_100011215163_100009817443 [0,1,0,0,0,0|3,0,0]=4 3450 B15R0.164 COCCOCCOCCCCCC(=O)N 7a_100000123541_100000695917 [0,1,0,0,0,0|3,0,0]=4 3451 B15R0.164 COCCOCCOCCCCCC(=O)N 7a_100011215163_100009817443 [0,1,0,0,0,0|3,0,0]=4 3452 B15R0.164 COCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000695917 [0,1,0,0,0,0|2,0,1]=4 3453 B15R0.164 COCCOCCSCCCCCC(=O)N 62a_100000695917_100009817443 [0,1,0,0,0,0|3,0,0]=4 3454 B15R0.164 COCCOCCSCCCCCC(=O)N 62a_100009817443_100000695917 [0,1,0,0,0,0|3,0,0]=4 3455 B15R0.164 CS(=O)CCCNCCCCCCCCO 2230a_200000753449_100000033203 [0,1,0,0,0,0|2,0,0]=3 3456 B15R0.164 C[C@@H](Cl)COCCCCCCCCCCO 34a_100016084084_100009813290 [0,1,0,0,0,0|2,0,1]=4 3457 B15R0.164 C[C@@H](N)CCOCCCCCCCCCO 34a_100000706166_100009813782 [0,1,0,0,0,0|2,0,1]=4 3458 B15R0.164 C[C@@H](N)COCCCCCCCCCCO 34a_100000737577_100009813290 [0,1,0,0,0,0|2,0,1]=4 3459 B15R0.164 C[C@@H](O)CNCCCCCCCCCCO 2230a_100000066964_100009817552 [0,1,0,0,0,0|1,0,1]=3 3460 B15R0.164 C[C@@H](O)CNCCCCCCCCCCO 34a_100000066964_100009817552 [0,1,0,0,0,0|1,0,1]=3 3461 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 34a_100009813290_100009817552 [0,1,0,0,0,0|2,0,1]=4 3462 B15R0.164 C[C@@H](O)COCCCCCCCCCCBr 7a_100009813290_100009817552 [0,1,0,0,0,0|2,0,1]=4 3463 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 34a_200000033068_100009817552 [0,1,0,0,0,0|2,0,1]=4 3464 B15R0.164 C[C@@H](O)COCCCCCCCCCCCl 7a_200000033068_100009817552 [0,1,0,0,0,0|2,0,1]=4 3465 B15R0.164 C[C@@H](O)COCCCCCCCCCCN 34a_100000066964_100009817552 [0,1,0,0,0,0|2,0,1]=4 3466 B15R0.164 C[C@@H](O)CSCCCCCCCCCCO 62a_100009813290_100009817552 [0,1,0,0,0,0|1,0,1]=3 3467 B15R0.164 C[C@@H](O)CSCCCCCCCCCCO 62a_100009817552_200000033068 [0,1,0,0,0,0|1,0,1]=3 3468 B15R0.164 N#CCCCCCCNCCOCC(=O)O 269956a_100000700818_100009813337 [0,1,0,0,0,0|2,0,1]=4 3469 B15R0.164 N#CCCCCCCOCCCCC(=O)N 7a_100012022536_100009813337 [0,1,0,0,0,0|2,0,1]=4 3470 B15R0.164 N#CCCCCCOCCCCCC(=O)N 7a_100000123541_100009813376 [0,1,0,0,0,0|2,0,1]=4 3471 B15R0.164 N#CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100009813376 [0,1,0,0,0,0|1,0,2]=4 3472 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009813376_100009817443 [0,1,0,0,0,0|2,0,1]=4 3473 B15R0.164 N#CCCCCCSCCCCCC(=O)N 62a_100009817443_100009813376 [0,1,0,0,0,0|2,0,1]=4 3474 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_100015361967_200010167045 [0,1,0,0,0,0|2,0,0]=3 3475 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_200010167045_100015361967 [0,1,0,0,0,0|2,0,0]=3 3476 B15R0.164 NC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009817443 [0,1,0,0,0,0|1,0,0]=2 3477 B15R0.164 NC(=O)CCCCCNCCCCCCO 34a_100000686447_100009817443 [0,1,0,0,0,0|1,0,0]=2 3478 B15R0.164 NC(=O)CCCCCOCCCCCC=O 7a_100000123541_100000139337 [0,1,0,0,0,0|1,0,2]=4 3479 B15R0.164 NC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009817443 [0,1,0,0,0,0|2,0,0]=3 3480 B15R0.164 NC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009817443 [0,1,0,0,0,0|2,0,0]=3 3481 B15R0.164 NC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009817443 [0,1,0,0,0,0|2,0,0]=3 3482 B15R0.164 NC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009817443 [0,1,0,0,0,0|2,0,0]=3 3483 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000123541_100015922095 [0,1,0,0,0,0|2,0,0]=3 3484 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000732779_100009817443 [0,1,0,0,0,0|2,0,0]=3 3485 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000123541_100015922095 [0,1,0,0,0,0|2,0,0]=3 3486 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000732779_100009817443 [0,1,0,0,0,0|2,0,0]=3 3487 B15R0.164 NC(=O)CCCCCOCCCCCCO 34a_100000123541_100000766143 [0,1,0,0,0,0|1,0,0]=2 3488 B15R0.164 NC(=O)CCCCCOCCCCCCO 7a_100000123541_100000766143 [0,1,0,0,0,0|1,0,0]=2 3489 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100000139337_100009817443 [0,1,0,0,0,0|1,0,2]=4 3490 B15R0.164 NC(=O)CCCCCSCCCCCC=O 62a_100009817443_100000139337 [0,1,0,0,0,0|1,0,2]=4 3491 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100009817443_100015922095 [0,1,0,0,0,0|2,0,0]=3 3492 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100015922095_100009817443 [0,1,0,0,0,0|2,0,0]=3 3493 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100000766143_100009817443 [0,1,0,0,0,0|1,0,0]=2 3494 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100009817443_100000766143 [0,1,0,0,0,0|1,0,0]=2 3495 B15R0.164 NC(=O)CCCCNCCCCCCCO 34a_100000696515_100000760002 [0,1,0,0,0,0|1,0,0]=2 3496 B15R0.164 NC(=O)CCCCOCCCCCCCO 34a_100012022536_100000760002 [0,1,0,0,0,0|1,0,0]=2 3497 B15R0.164 NC(=O)CCCCOCCCCCCCO 7a_100012022536_100000760002 [0,1,0,0,0,0|1,0,0]=2 3498 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [0,1,0,0,0,0|1,0,0]=2 3499 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [0,1,0,0,0,0|1,0,0]=2 3500 B15R0.164 NC(=O)CCCNCCOCCOCCO 34a_100000739312_100000032323 [0,1,0,0,0,0|3,0,0]=4 3501 B15R0.164 NC(=O)CCCNCCOCCOCCO 34a_100011998139_100102525003 [0,1,0,0,0,0|3,0,0]=4 3502 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [0,1,0,0,0,0|2,0,0]=3 3503 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [0,1,0,0,0,0|2,0,0]=3 3504 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [0,1,0,0,0,0|2,0,0]=3 3505 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [0,1,0,0,0,0|2,0,0]=3 3506 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [0,1,0,0,0,0|1,0,0]=2 3507 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [0,1,0,0,0,0|1,0,0]=2 3508 B15R0.164 NC(=O)CCCSCCOCCOCCO 62a_100000032323_100102525003 [0,1,0,0,0,0|3,0,0]=4 3509 B15R0.164 NC(=O)CCCSCCOCCOCCO 62a_100102525003_100000032323 [0,1,0,0,0,0|3,0,0]=4 3510 B15R0.164 NC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000744528 [0,1,0,0,0,0|1,0,0]=2 3511 B15R0.164 NC(=O)CCNCCCCCCCCCO 34a_100000078944_100000731001 [0,1,0,0,0,0|1,0,0]=2 3512 B15R0.164 NC(=O)CCNCCCOCCOCCO 2230a_100011996194_100000744528 [0,1,0,0,0,0|3,0,0]=4 3513 B15R0.164 NC(=O)CCNCCCOCCOCCO 34a_100011996194_100000731001 [0,1,0,0,0,0|3,0,0]=4 3514 B15R0.164 NC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731001 [0,1,0,0,0,0|2,0,0]=3 3515 B15R0.164 NC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000744528 [0,1,0,0,0,0|2,0,0]=3 3516 B15R0.164 NC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000731001 [0,1,0,0,0,0|2,0,0]=3 3517 B15R0.164 NC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000744528 [0,1,0,0,0,0|2,0,0]=3 3518 B15R0.164 NC(=O)CCOCCCCCCCCCO 34a_100000757172_100009813782 [0,1,0,0,0,0|1,0,0]=2 3519 B15R0.164 NC(=O)CCOCCCCCCCCCO 7a_100000757172_100009813782 [0,1,0,0,0,0|1,0,0]=2 3520 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100000744528_100009813782 [0,1,0,0,0,0|1,0,0]=2 3521 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100009813782_100000744528 [0,1,0,0,0,0|1,0,0]=2 3522 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747473 [0,1,0,0,0,0|1,0,0]=2 3523 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000711301_100009813290 [0,1,0,0,0,0|1,0,0]=2 3524 B15R0.164 NC(=O)CNCCCCCCCCCCO 34a_100000066964_100000187820 [0,1,0,0,0,0|1,0,0]=2 3525 B15R0.164 NC(=O)COCCCCCCCCCCBr 34a_100009813290_100000187820 [0,1,0,0,0,0|2,0,0]=3 3526 B15R0.164 NC(=O)COCCCCCCCCCCBr 7a_100009813290_100000187820 [0,1,0,0,0,0|2,0,0]=3 3527 B15R0.164 NC(=O)COCCCCCCCCCCCl 34a_200000033068_100000187820 [0,1,0,0,0,0|2,0,0]=3 3528 B15R0.164 NC(=O)COCCCCCCCCCCCl 7a_200000033068_100000187820 [0,1,0,0,0,0|2,0,0]=3 3529 B15R0.164 NC(=O)COCCNCCCCCCCO 2230a_100011996573_100000076697 [0,1,0,0,0,0|2,0,0]=3 3530 B15R0.164 NC(=O)COCCNCCCCCCCO 34a_100011996573_100000076697 [0,1,0,0,0,0|2,0,0]=3 3531 B15R0.164 NC(=O)COCCNCCCOCCCO 2230a_100011310245_100000076697 [0,1,0,0,0,0|3,0,0]=4 3532 B15R0.164 NC(=O)COCCNCCCOCCCO 34a_100011310245_100000076697 [0,1,0,0,0,0|3,0,0]=4 3533 B15R0.164 NC(=O)COCCOCCCCCCCBr 34a_100000760002_100000076697 [0,1,0,0,0,0|3,0,0]=4 3534 B15R0.164 NC(=O)COCCOCCCCCCCBr 7a_100000760002_100000076697 [0,1,0,0,0,0|3,0,0]=4 3535 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000076697_100000760002 [0,1,0,0,0,0|2,0,0]=3 3536 B15R0.164 NC(=O)COCCSCCCCCCCO 62a_100000760002_100000076697 [0,1,0,0,0,0|2,0,0]=3 3537 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100000747473_200000033068 [0,1,0,0,0,0|1,0,0]=2 3538 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747473 [0,1,0,0,0,0|1,0,0]=2 3539 B15R0.164 NC(=O)NCCNCCCCCCCCO 2230a_102515433106_200000034859 [0,1,0,0,0,0|2,0,0]=3 3540 B15R0.164 NC(=O)NCCNCCCCCCCCO 34a_100020590234_100000033203 [0,1,0,0,0,0|2,0,0]=3 3541 B15R0.164 NC(=O)NCCOCCCCCCCCBr 7a_100009813846_200000034859 [0,1,0,0,0,0|3,0,0]=4 3542 B15R0.164 NC(=O)NCCOCCCCCCCCCl 7a_100000033203_200000034859 [0,1,0,0,0,0|3,0,0]=4 3543 B15R0.164 NC(=O)NCCOCCCCCCCCO 34a_100000181757_100000033203 [0,1,0,0,0,0|2,0,0]=3 3544 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_100000033203_200000034859 [0,1,0,0,0,0|2,0,0]=3 3545 B15R0.164 NC(=O)NCCSCCCCCCCCO 62a_200000034859_100000033203 [0,1,0,0,0,0|2,0,0]=3 3546 B15R0.164 NC(=O)OCCNCCCCCCCCO 34a_102515433106_200011214921 [0,1,0,0,0,0|2,0,0]=3 3547 B15R0.164 NC(=O)OCCOCCCCCCCCBr 34a_100009813846_200011214921 [0,1,0,0,0,0|3,0,0]=4 3548 B15R0.164 NC(=O)OCCOCCCCCCCCBr 7a_100009813846_200011214921 [0,1,0,0,0,0|3,0,0]=4 3549 B15R0.164 NC(=O)OCCOCCCCCCCCCl 34a_100000033203_200011214921 [0,1,0,0,0,0|3,0,0]=4 3550 B15R0.164 NC(=O)OCCOCCCCCCCCCl 7a_100000033203_200011214921 [0,1,0,0,0,0|3,0,0]=4 3551 B15R0.164 NC(=O)OCCOCCCCCCCCO 7a_100000766696_100000033203 [0,1,0,0,0,0|2,0,0]=3 3552 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_100000033203_200011214921 [0,1,0,0,0,0|2,0,0]=3 3553 B15R0.164 NC(=O)OCCSCCCCCCCCO 62a_200011214921_100000033203 [0,1,0,0,0,0|2,0,0]=3 3554 B15R0.164 NCCCCCCCCCCOCC(=O)N 34a_100000066964_100000187820 [0,1,0,0,0,0|2,0,0]=3 3555 B15R0.164 NCCCCCCCCCCOCC(=O)[O-] 34a_100000066964_100020667443 [0,1,0,0,0,0|1,0,1]=3 3556 B15R0.164 NCCCCCCCCCCOC[N+](=O)[O-] 34a_100000066964_100000761209 [0,1,0,0,0,0|2,0,1]=4 3557 B15R0.164 NCCCCCCCCCOCCC(=O)N 34a_100000078944_100000731001 [0,1,0,0,0,0|2,0,0]=3 3558 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [0,1,0,0,0,0|2,0,0]=3 3559 B15R0.164 NCCCCCCCCOCCOC(=O)N 34a_102515433106_200011214921 [0,1,0,0,0,0|3,0,0]=4 3560 B15R0.164 NCCCCCCCOCCCCB(O)O 34a_100011996573_200009817182 [0,1,0,0,0,0|2,0,1]=4 3561 B15R0.164 NCCCCCCCOCCOCC(=O)N 34a_100011996573_100000076697 [0,1,0,0,0,0|3,0,0]=4 3562 B15R0.164 NCCCCCCOCCCCCB(O)O 34a_100000686447_200009817188 [0,1,0,0,0,0|2,0,1]=4 3563 B15R0.164 NCCCCCCOCCCCCC(=O)N 34a_100000686447_100009817443 [0,1,0,0,0,0|2,0,0]=3 3564 B15R0.164 NCCCCCOCCCCCCB(O)O 34a_100000762737_100009817187 [0,1,0,0,0,0|2,0,1]=4 3565 B15R0.164 NCCNCCCCCOCCCC(=O)N 34a_103619048469_100102525003 [0,1,0,0,0,0|3,0,0]=4 3566 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [0,1,0,0,0,0|0,0,0]=1 3567 B15R0.164 O=C(O)COCCNCCCCCCCO 269956a_100000700818_100000760002 [0,1,0,0,0,0|1,0,0]=2 3568 B15R0.164 O=C(O)COCCOCCNCCCCF 269956a_100009854275_100000729493 [0,1,0,0,0,0|3,0,0]=4 3569 B15R0.164 O=C(O)COCCOCCNCCCCO 269956a_100009854275_100000210776 [0,1,0,0,0,0|2,0,0]=3 3570 B15R0.164 O=C(O)CONCCCCCCCCCO 269956a_100000106656_100009813782 [0,1,0,0,0,0|1,0,0]=2 3571 B15R0.164 O=C([O-])CCCCCOCCCCCCF 7a_100102619762_100015922095 [0,1,0,0,0,0|1,0,1]=3 3572 B15R0.164 O=C([O-])CCCCCOCCCCCCO 7a_100102619762_100000766143 [0,1,0,0,0,0|0,0,1]=2 3573 B15R0.164 O=C([O-])CNCCCCCCCCCCO 34a_100000066964_100020667443 [0,1,0,0,0,0|0,0,1]=2 3574 B15R0.164 O=C([O-])COCCCCCCCCCCBr 34a_100009813290_100020667443 [0,1,0,0,0,0|1,0,1]=3 3575 B15R0.164 O=C([O-])COCCCCCCCCCCCl 34a_200000033068_100020667443 [0,1,0,0,0,0|1,0,1]=3 3576 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100009813290_100020667443 [0,1,0,0,0,0|0,0,1]=2 3577 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100020667443_200000033068 [0,1,0,0,0,0|0,0,1]=2 3578 B15R0.164 O=CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139337 [0,1,0,0,0,0|0,0,3]=4 3579 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 34a_200015379883_100000760002 [0,1,0,0,0,0|1,0,1]=3 3580 B15R0.164 O=[N+]([O-])CCCCOCCCCCCCO 7a_200015379883_100000760002 [0,1,0,0,0,0|1,0,1]=3 3581 B15R0.164 O=[N+]([O-])CCCOCCCCCCCCO 34a_200000037920_100000033203 [0,1,0,0,0,0|1,0,1]=3 3582 B15R0.164 O=[N+]([O-])CNCCCCCCCCCCO 34a_100000066964_100000761209 [0,1,0,0,0,0|1,0,1]=3 3583 B15R0.164 O=[N+]([O-])COCCCCCCCCCCBr 34a_100009813290_100000761209 [0,1,0,0,0,0|2,0,1]=4 3584 B15R0.164 O=[N+]([O-])COCCCCCCCCCCCl 34a_200000033068_100000761209 [0,1,0,0,0,0|2,0,1]=4 3585 B15R0.164 O=[N+]([O-])CSCCCCCCCCCCO 62a_100009813290_100000761209 [0,1,0,0,0,0|1,0,1]=3 3586 B15R0.164 O=[N+]([O-])OCCCCNCCCCCCO 34a_100000686447_100015694321 [0,1,0,0,0,0|2,0,1]=4 3587 B15R0.164 O=[N+]([O-])OCCCCSCCCCCCO 62a_100000766143_100015694321 [0,1,0,0,0,0|2,0,1]=4 3588 B15R0.164 OB(O)CCCCCCOCCCCCBr 34a_100000746331_100009817187 [0,1,0,0,0,0|2,0,1]=4 3589 B15R0.164 OB(O)CCCCCCOCCCCCBr 7a_100000746331_100009817187 [0,1,0,0,0,0|2,0,1]=4 3590 B15R0.164 OB(O)CCCCCCOCCCCCCl 34a_100000746330_100009817187 [0,1,0,0,0,0|2,0,1]=4 3591 B15R0.164 OB(O)CCCCCCOCCCCCCl 7a_100000746330_100009817187 [0,1,0,0,0,0|2,0,1]=4 3592 B15R0.164 OB(O)CCCCCCOCCCCCI 34a_200012148887_100009817187 [0,1,0,0,0,0|2,0,1]=4 3593 B15R0.164 OB(O)CCCCCCOCCCCCI 7a_200012148887_100009817187 [0,1,0,0,0,0|2,0,1]=4 3594 B15R0.164 OB(O)CCCCCCSCCCCCF 62a_100000729378_100009817187 [0,1,0,0,0,0|2,0,1]=4 3595 B15R0.164 OB(O)CCCCCCSCCCCCF 62a_100009817187_100000729378 [0,1,0,0,0,0|2,0,1]=4 3596 B15R0.164 OB(O)CCCCCOCCCCCCBr 34a_100011215345_200009817188 [0,1,0,0,0,0|2,0,1]=4 3597 B15R0.164 OB(O)CCCCCOCCCCCCBr 7a_100011215345_200009817188 [0,1,0,0,0,0|2,0,1]=4 3598 B15R0.164 OB(O)CCCCCOCCCCCCCl 34a_100000766143_200009817188 [0,1,0,0,0,0|2,0,1]=4 3599 B15R0.164 OB(O)CCCCCOCCCCCCCl 7a_100000766143_200009817188 [0,1,0,0,0,0|2,0,1]=4 3600 B15R0.164 OB(O)CCCCCOCCCCCCF 34a_100000732779_200009817188 [0,1,0,0,0,0|2,0,1]=4 3601 B15R0.164 OB(O)CCCCCOCCCCCCF 7a_100000732779_200009817188 [0,1,0,0,0,0|2,0,1]=4 3602 B15R0.164 OB(O)CCCCCSCCCCCCF 62a_100015922095_200009817188 [0,1,0,0,0,0|2,0,1]=4 3603 B15R0.164 OB(O)CCCCCSCCCCCCF 62a_200009817188_100015922095 [0,1,0,0,0,0|2,0,1]=4 3604 B15R0.164 OB(O)CCCCOCCCCCCCBr 34a_100000760002_200009817182 [0,1,0,0,0,0|2,0,1]=4 3605 B15R0.164 OB(O)CCCCOCCCCCCCBr 7a_100000760002_200009817182 [0,1,0,0,0,0|2,0,1]=4 3606 B15R0.164 OCCCCCCCCCCNCC(F)F 2230a_100000066964_100011934356 [0,1,0,0,0,0|2,0,1]=4 3607 B15R0.164 OCCCCCCCCCCNCC(F)F 34a_100000066964_100011934356 [0,1,0,0,0,0|2,0,1]=4 3608 B15R0.164 OCCCCCCCCCCNCC(F)F 34a_100000765723_100009813290 [0,1,0,0,0,0|2,0,1]=4 3609 B15R0.164 OCCCCCCCCCCOCC(F)F 34a_100000743014_100009813290 [0,1,0,0,0,0|2,0,1]=4 3610 B15R0.164 OCCCCCCCCCCSCC(F)F 62a_100009813290_100011934356 [0,1,0,0,0,0|2,0,1]=4 3611 B15R0.164 OCCCCCCCCCCSCC(F)F 62a_100011934356_200000033068 [0,1,0,0,0,0|2,0,1]=4 3612 B15R0.164 OCCCCCCCCCOCCC(F)F 34a_100103093639_100009813782 [0,1,0,0,0,0|2,0,1]=4 3613 B15R0.164 OCCCCCCCCNCCC=C(F)F 2230a_102515433106_200009816681 [0,1,0,0,0,0|2,0,1]=4 3614 B15R0.164 OCCCCCCCCNCCC=C(F)F 34a_102515433106_200009816681 [0,1,0,0,0,0|2,0,1]=4 3615 B15R0.164 OCCCCCCCCSCCC=C(F)F 62a_100000033203_200009816681 [0,1,0,0,0,0|2,0,1]=4 3616 B15R0.164 OCCCCCCCCSCCC=C(F)F 62a_200009816681_100000033203 [0,1,0,0,0,0|2,0,1]=4 3617 B15R0.164 OCCCCCCCNCCCCB(O)O 2230a_100011996573_200009817182 [0,1,0,0,0,0|1,0,1]=3 3618 B15R0.164 OCCCCCCCNCCCCB(O)O 34a_100011996573_200009817182 [0,1,0,0,0,0|1,0,1]=3 3619 B15R0.164 OCCCCCCCSCCCCB(O)O 62a_100000760002_200009817182 [0,1,0,0,0,0|1,0,1]=3 3620 B15R0.164 OCCCCCCCSCCCCB(O)O 62a_200009817182_100000760002 [0,1,0,0,0,0|1,0,1]=3 3621 B15R0.164 OCCCCCCNCCCCCB(O)O 2230a_100000686447_200009817188 [0,1,0,0,0,0|1,0,1]=3 3622 B15R0.164 OCCCCCCNCCCCCB(O)O 34a_100000686447_200009817188 [0,1,0,0,0,0|1,0,1]=3 3623 B15R0.164 OCCCCCCSCCCCCB(O)O 62a_100000766143_200009817188 [0,1,0,0,0,0|1,0,1]=3 3624 B15R0.164 OCCCCCCSCCCCCB(O)O 62a_200009817188_100000766143 [0,1,0,0,0,0|1,0,1]=3 3625 B15R0.164 OCCCCCNCCCCCCB(O)O 2230a_100000762737_100009817187 [0,1,0,0,0,0|1,0,1]=3 3626 B15R0.164 OCCCCCNCCCCCCB(O)O 34a_100000762737_100009817187 [0,1,0,0,0,0|1,0,1]=3 3627 B15R0.164 OCCCCCSCCCCCCB(O)O 62a_100000746330_100009817187 [0,1,0,0,0,0|1,0,1]=3 3628 B15R0.164 OCCCCCSCCCCCCB(O)O 62a_100009817187_100000746330 [0,1,0,0,0,0|1,0,1]=3 3629 B15R0.164 OCCCOCCCNCCCCB(O)O 2230a_100011310245_200009817182 [0,1,0,0,0,0|2,0,1]=4 3630 B15R0.164 OCCCOCCCNCCCCB(O)O 34a_100011310245_200009817182 [0,1,0,0,0,0|2,0,1]=4 3631 B15R0.164 OCCOCCNCCCCCCB(O)O 2230a_100000211614_100009817187 [0,1,0,0,0,0|2,0,1]=4 3632 B15R0.164 OCCOCCNCCCCCCB(O)O 34a_100000211614_100009817187 [0,1,0,0,0,0|2,0,1]=4 3633 B15R0.164 OCCOCCSCCCCCCB(O)O 62a_100009817187_100011215305 [0,1,0,0,0,0|2,0,1]=4 3634 B15R0.164 OCCOCCSCCCCCCB(O)O 62a_100011215305_100009817187 [0,1,0,0,0,0|2,0,1]=4 3635 B15R0.164 OCCSCCNCCCCCCB(O)O 2230a_100011219999_100009817187 [0,1,0,0,0,0|2,0,1]=4 3636 B15R0.193 CC(=O)OCCCCC(=O)CCCCCO 1458a_100102619762_100000033659 [0,1,0,0,0,0|2,0,1]=4 3637 B15R0.193 CC(=O)OCCCCN(C)CCCCCO 269982a_100000722520_100000033659 [0,1,0,0,0,0|3,0,0]=4 3638 B15R0.193 CC(=O)SCCCCC(=O)CCCCCO 1458a_100102619762_200010402107 [0,1,0,0,0,0|2,0,1]=4 3639 B15R0.193 CC(=O)SCCCCN(C)CCCCCO 2230a_100000722520_200010402107 [0,1,0,0,0,0|3,0,0]=4 3640 B15R0.193 CC(=O)SCCCCN(C)CCCCCO 269982a_100000722520_200010402107 [0,1,0,0,0,0|3,0,0]=4 3641 B15R0.193 CCCCCCC(=O)CCCCCC(=O)N 1458a_100102632555_100009817443 [0,1,0,0,0,0|2,0,1]=4 3642 B15R0.193 CCCCCCC(C)CCOCCC(=O)C 7a_200011024964_100000053229 [0,1,0,0,0,0|3,0,0]=4 3643 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 34a_200011024964_100000731001 [0,1,0,0,0,0|3,0,0]=4 3644 B15R0.193 CCCCCCC(C)CCOCCC(=O)N 7a_200011024964_100000744528 [0,1,0,0,0,0|3,0,0]=4 3645 B15R0.193 CCCCCCC(C)NCCCCC(=O)C 34a_100000210919_100009817362 [0,1,0,0,0,0|3,0,0]=4 3646 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210826 [0,1,0,0,0,0|3,0,0]=4 3647 B15R0.193 CCCCCCC(C)NCCCCC(=O)N 34a_100000696515_100011215978 [0,1,0,0,0,0|3,0,0]=4 3648 B15R0.193 CCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_100011215978 [0,1,0,0,0,0|3,0,0]=4 3649 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 34a_100000210265_100009817362 [0,1,0,0,0,0|3,0,0]=4 3650 B15R0.193 CCCCCCC(C)OCCCCC(=O)C 7a_100000210265_100000735457 [0,1,0,0,0,0|3,0,0]=4 3651 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 34a_100012022536_100011215978 [0,1,0,0,0,0|3,0,0]=4 3652 B15R0.193 CCCCCCC(C)OCCCCC(=O)N 7a_100012022536_100011215978 [0,1,0,0,0,0|3,0,0]=4 3653 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100000735457_100011215978 [0,1,0,0,0,0|3,0,0]=4 3654 B15R0.193 CCCCCCC(C)SCCCCC(=O)C 62a_100011215978_100000735457 [0,1,0,0,0,0|3,0,0]=4 3655 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 2230a_106256046315_100009817443 [0,1,0,0,0,0|3,0,0]=4 3656 B15R0.193 CCCCCCN(C)CCCCCC(=O)N 269982a_106256046315_100009817443 [0,1,0,0,0,0|3,0,0]=4 3657 B15R0.193 CN(CCCCCC(=O)N)CCOCCO 2230a_100000228057_100009817443 [0,1,0,0,0,0|3,0,0]=4 3658 B15R0.193 CN(CCCCCC(=O)N)CCOCCO 269982a_100000228057_100009817443 [0,1,0,0,0,0|3,0,0]=4 3659 B15R0.193 CN(CCCCCO)CCCCCB(O)O 2230a_100000722520_200009817188 [0,1,0,0,0,0|2,0,1]=4 3660 B15R0.193 CN(CCCCCO)CCCCCB(O)O 269982a_100000722520_200009817188 [0,1,0,0,0,0|2,0,1]=4 3661 B15R0.193 CN(CCCCCO)CCCCCC(=O)N 2230a_100000722520_100009817443 [0,1,0,0,0,0|2,0,0]=3 3662 B15R0.193 CN(CCCCCO)CCCCCC(=O)N 269982a_100000722520_100009817443 [0,1,0,0,0,0|2,0,0]=3 3663 B15R0.193 NC(=O)CCCCCC(=O)CCCCCO 1458a_100102619762_100009817443 [0,1,0,0,0,0|1,0,1]=3 3664 B15R0.193 NC(=O)CCCCCC(=O)CCOCCO 1458a_100011229844_100009817443 [0,1,0,0,0,0|2,0,1]=4 3665 B15R0.193 NC(=O)CCCCNC(=O)CCCCCO 240690a_100000696515_100102619762 [0,1,0,0,0,0|2,0,1]=4 3666 B15R0.193 O=C(CCCCCO)CCCCCB(O)O 1458a_100102619762_200009817188 [0,1,0,0,0,0|1,0,2]=4 3667 B15R0.193 O=C(CCCCCO)CCCCC[N+](=O)[O-] 1458a_100000043470_100000746330 [0,1,0,0,0,0|1,0,2]=4 3668 B15R0.210 CC(=O)OCCCCNC[C@H](C)CCCO 34a_100160569302_100000033659 [0,1,0,0,0,0|3,0,0]=4 3669 B15R0.210 CC(=O)SCCCCNC[C@H](C)CCCO 2230a_100160569302_200010402107 [0,1,0,0,0,0|3,0,0]=4 3670 B15R0.210 CC(=O)SCCCCNC[C@H](C)CCCO 34a_100160569302_200010402107 [0,1,0,0,0,0|3,0,0]=4 3671 B15R0.210 CCCCC(C)CCCCOCCC(=O)C 7a_200011021034_100000053229 [0,1,0,0,0,0|3,0,0]=4 3672 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 34a_200011021034_100000731001 [0,1,0,0,0,0|3,0,0]=4 3673 B15R0.210 CCCCC(C)CCCCOCCC(=O)N 7a_200011021034_100000744528 [0,1,0,0,0,0|3,0,0]=4 3674 B15R0.210 CCCCC(C)COCCCCCC(=O)N 34a_100011995851_100009817443 [0,1,0,0,0,0|3,0,0]=4 3675 B15R0.210 CCCCC(C)COCCCCCC(=O)N 7a_100011995851_100009817443 [0,1,0,0,0,0|3,0,0]=4 3676 B15R0.210 CCCC[C@H](N)COCCCCCC(=O)N 34a_100011934283_100009817443 [0,1,0,0,0,0|3,0,0]=4 3677 B15R0.210 C[C@H](CCCO)CNCCCCCB(O)O 2230a_100160569302_200009817188 [0,1,0,0,0,0|2,0,1]=4 3678 B15R0.210 C[C@H](CCCO)CNCCCCCB(O)O 34a_100160569302_200009817188 [0,1,0,0,0,0|2,0,1]=4 3679 B15R0.210 C[C@H](CCCO)CNCCCCCC(=O)N 2230a_100160569302_100009817443 [0,1,0,0,0,0|2,0,0]=3 3680 B15R0.210 C[C@H](CCCO)CNCCCCCC(=O)N 34a_100160569302_100009817443 [0,1,0,0,0,0|2,0,0]=3 3681 B15R0.222 CC(=O)CCCCCCCCCCC(=O)N 1458a_100000070787_200010167045 [0,1,0,0,0,0|1,0,2]=4 3682 B15R0.222 CC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100009817362 [0,1,0,0,0,0|3,0,0]=4 3683 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100009817362 [0,1,0,0,0,0|3,0,0]=4 3684 B15R0.222 CC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000735457 [0,1,0,0,0,0|3,0,0]=4 3685 B15R0.222 CC(=O)CCCCSCCCCCB(O)O 62a_100000735457_200009817188 [0,1,0,0,0,0|3,0,0]=4 3686 B15R0.222 CC(=O)CCCCSCCCCCB(O)O 62a_200009817188_100000735457 [0,1,0,0,0,0|3,0,0]=4 3687 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000735457 [0,1,0,0,0,0|3,0,0]=4 3688 B15R0.222 CC(=O)CCCCSCCCCCC(C)C 62a_100000735457_100000210682 [0,1,0,0,0,0|3,0,0]=4 3689 B15R0.222 CC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000685027 [0,1,0,0,0,0|3,0,0]=4 3690 B15R0.222 CC(=O)CCCOCCCCCCB(O)O 34a_100000759063_100009817187 [0,1,0,0,0,0|3,0,0]=4 3691 B15R0.222 CC(=O)CCCOCCCCCCB(O)O 7a_100000759063_100009817187 [0,1,0,0,0,0|3,0,0]=4 3692 B15R0.222 CC(=O)CCCSCCCCCCB(O)O 62a_100009817187_100011215641 [0,1,0,0,0,0|3,0,0]=4 3693 B15R0.222 CC(=O)CCCSCCCCCCB(O)O 62a_100011215641_100009817187 [0,1,0,0,0,0|3,0,0]=4 3694 B15R0.222 CC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000053229 [0,1,0,0,0,0|3,0,0]=4 3695 B15R0.222 CC(=O)NCCCCCCNCCC(C)O 2230a_200011996284_100012276601 [0,1,0,0,0,0|3,0,0]=4 3696 B15R0.222 CC(=O)NCCCCCCNCCC(C)O 34a_200011996284_100012276601 [0,1,0,0,0,0|3,0,0]=4 3697 B15R0.222 CC(=O)NCCCCCNCCCC(C)O 2230a_200012022750_200000718107 [0,1,0,0,0,0|3,0,0]=4 3698 B15R0.222 CC(=O)NCCCCCNCCCC(C)O 34a_200012022750_200000718107 [0,1,0,0,0,0|3,0,0]=4 3699 B15R0.222 CC(=O)OCCCCCSCCCC(C)O 62a_100000033007_200000718107 [0,1,0,0,0,0|3,0,0]=4 3700 B15R0.222 CC(=O)OCCCCCSCCCC(C)O 62a_200000718107_100000033007 [0,1,0,0,0,0|3,0,0]=4 3701 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 34a_200000210741_100000731001 [0,1,0,0,0,0|3,0,0]=4 3702 B15R0.222 CC(C)CCCCCCCOCCC(=O)N 7a_200000210741_100000744528 [0,1,0,0,0,0|3,0,0]=4 3703 B15R0.222 CC(C)CCCCCCNCCCC(=O)N 34a_100000211014_100102525003 [0,1,0,0,0,0|3,0,0]=4 3704 B15R0.222 CC(C)CCCCCNCCCCC(=O)N 34a_100000696515_100000210682 [0,1,0,0,0,0|3,0,0]=4 3705 B15R0.222 CC(C)CCCCCNCCOCC(=O)O 269956a_100000700818_100000210682 [0,1,0,0,0,0|3,0,0]=4 3706 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 34a_100012022536_100000210682 [0,1,0,0,0,0|3,0,0]=4 3707 B15R0.222 CC(C)CCCCCOCCCCC(=O)N 7a_100012022536_100000210682 [0,1,0,0,0,0|3,0,0]=4 3708 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100000123541_100011216152 [0,1,0,0,0,0|3,0,0]=4 3709 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 34a_100011214890_100009817443 [0,1,0,0,0,0|3,0,0]=4 3710 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100000123541_100011216152 [0,1,0,0,0,0|3,0,0]=4 3711 B15R0.222 CC(C)CCCCOCCCCCC(=O)N 7a_100011214890_100009817443 [0,1,0,0,0,0|3,0,0]=4 3712 B15R0.222 CC(C)CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011216152 [0,1,0,0,0,0|2,0,1]=4 3713 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100009817443_100011216152 [0,1,0,0,0,0|3,0,0]=4 3714 B15R0.222 CC(C)CCCCSCCCCCC(=O)N 62a_100011216152_100009817443 [0,1,0,0,0,0|3,0,0]=4 3715 B15R0.222 CC(O)CCCSCCCCCCB(O)O 62a_100009817187_200000718107 [0,1,0,0,0,0|2,0,1]=4 3716 B15R0.222 CC(O)CCCSCCCCCCB(O)O 62a_200000718107_100009817187 [0,1,0,0,0,0|2,0,1]=4 3717 B15R0.222 CC(O)CCNCCOCCOCC(=O)O 269956a_100009854275_100012276601 [0,1,0,0,0,0|3,0,0]=4 3718 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 2230a_100102631434_200010167045 [0,1,0,0,0,0|3,0,0]=4 3719 B15R0.222 CN(C)CCCCCCCCCCC(=O)N 269982a_100102631434_200010167045 [0,1,0,0,0,0|3,0,0]=4 3720 B15R0.222 NC(=O)CCCCCOCCCCB(O)O 34a_100000123541_200009817182 [0,1,0,0,0,0|3,0,0]=4 3721 B15R0.222 NC(=O)CCCCCOCCCCB(O)O 7a_100000123541_200009817182 [0,1,0,0,0,0|3,0,0]=4 3722 B15R0.222 NC(=O)CCCCCSCCCCB(O)O 62a_100009817443_200009817182 [0,1,0,0,0,0|3,0,0]=4 3723 B15R0.222 NC(=O)CCCCCSCCCCB(O)O 62a_200009817182_100009817443 [0,1,0,0,0,0|3,0,0]=4 3724 B15R0.222 NC(=O)CCCCNCCCCCB(O)O 34a_100000696515_200009817188 [0,1,0,0,0,0|3,0,0]=4 3725 B15R0.222 NC(=O)CCCCOCCCCCB(O)O 34a_100012022536_200009817188 [0,1,0,0,0,0|3,0,0]=4 3726 B15R0.222 NC(=O)CCCCOCCCCCB(O)O 7a_100012022536_200009817188 [0,1,0,0,0,0|3,0,0]=4 3727 B15R0.222 NC(=O)CCCNCCCCCCB(O)O 34a_100000739312_100009817187 [0,1,0,0,0,0|3,0,0]=4 3728 B15R0.222 NC(=O)CCCSCCCCCCB(O)O 62a_100009817187_100102525003 [0,1,0,0,0,0|3,0,0]=4 3729 B15R0.222 NC(=O)CCCSCCCCCCB(O)O 62a_100102525003_100009817187 [0,1,0,0,0,0|3,0,0]=4 3730 B15R0.222 O=C(O)COCCNCCCCCB(O)O 269956a_100000700818_200009817188 [0,1,0,0,0,0|3,0,0]=4 3731 B15R0.222 O=C([O-])CCCCCOCCCCB(O)O 7a_100102619762_200009817182 [0,1,0,0,0,0|2,0,1]=4 3732 B15R0.234 CC(=O)CCCCOC[C@@H](N)CCCCN 34a_100016993712_100009817362 [0,1,0,0,0,0|3,0,0]=4 3733 B15R0.234 CC(=O)NCCCCCC(=O)CCCCO 1458a_100000183861_100000210776 [0,1,0,0,0,0|2,0,1]=4 3734 B15R0.234 CC(=O)OCCCCCC(=O)CCCCO 1458a_100000695505_100000033007 [0,1,0,0,0,0|2,0,1]=4 3735 B15R0.234 CC(=O)OCCCCCN(C)CCCCO 2230a_100000717598_100009813381 [0,1,0,0,0,0|3,0,0]=4 3736 B15R0.234 CC(=O)OCCCCCN(C)CCCCO 269982a_100000717598_100000033007 [0,1,0,0,0,0|3,0,0]=4 3737 B15R0.234 CCCCCC(C)NCCCCCC(=O)N 2230a_100000211957_100009817443 [0,1,0,0,0,0|3,0,0]=4 3738 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011218191 [0,1,0,0,0,0|3,0,0]=4 3739 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 34a_100011215632_100009817443 [0,1,0,0,0,0|3,0,0]=4 3740 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011218191 [0,1,0,0,0,0|3,0,0]=4 3741 B15R0.234 CCCCCC(C)OCCCCCC(=O)N 7a_100011215632_100009817443 [0,1,0,0,0,0|3,0,0]=4 3742 B15R0.234 CCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011218191 [0,1,0,0,0,0|2,0,1]=4 3743 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011218191 [0,1,0,0,0,0|3,0,0]=4 3744 B15R0.234 CCCCCC(C)SCCCCCC(=O)N 62a_200011218191_100009817443 [0,1,0,0,0,0|3,0,0]=4 3745 B15R0.234 CN(CCCCO)CCCCCCB(O)O 2230a_100000717598_100009817187 [0,1,0,0,0,0|2,0,1]=4 3746 B15R0.234 CN(CCCCO)CCCCCCB(O)O 269982a_100000717598_100009817187 [0,1,0,0,0,0|2,0,1]=4 3747 B15R0.234 O=C(CCCCO)CCCCCCB(O)O 1458a_100000695505_100009817187 [0,1,0,0,0,0|1,0,2]=4 3748 B15R0.247 CC(=O)NCCCCCCNCC(O)CO 2230a_200011996284_100011219619 [0,1,0,0,0,0|3,0,0]=4 3749 B15R0.247 CC(=O)NCCCCCCNCC(O)CO 34a_200011996284_100011219619 [0,1,0,0,0,0|3,0,0]=4 3750 B15R0.247 CC(=O)NCCCCCCNC[C@@H](C)CO 2230a_200011996284_100000059175 [0,1,0,0,0,0|3,0,0]=4 3751 B15R0.247 CC(=O)NCCCCCCNC[C@@H](C)CO 34a_200011996284_100000059175 [0,1,0,0,0,0|3,0,0]=4 3752 B15R0.247 CC(=O)NCCCCCCNC[C@@H](O)CO 2230a_200011996284_100009815848 [0,1,0,0,0,0|3,0,0]=4 3753 B15R0.247 CC(=O)NCCCCCCNC[C@@H](O)CO 34a_200011996284_100009815848 [0,1,0,0,0,0|3,0,0]=4 3754 B15R0.247 CC(=O)OCCCCCNCCC(C)CO 2230a_106354213184_100009813381 [0,1,0,0,0,0|3,0,0]=4 3755 B15R0.247 CC(=O)OCCCCCNCCC(C)CO 34a_106354213184_100000033007 [0,1,0,0,0,0|3,0,0]=4 3756 B15R0.247 CC(CO)CCNCCCCCCB(O)O 2230a_106354213184_100009817187 [0,1,0,0,0,0|2,0,1]=4 3757 B15R0.247 CC(CO)CCNCCCCCCB(O)O 34a_106354213184_100009817187 [0,1,0,0,0,0|2,0,1]=4 3758 B15R0.247 CCC(C)CCCCCOCCCC(=O)C 7a_200000035636_100011215641 [0,1,0,0,0,0|3,0,0]=4 3759 B15R0.247 CCC(C)CCCCCOCCCC(=O)N 7a_200000035636_100102525003 [0,1,0,0,0,0|3,0,0]=4 3760 B15R0.247 CCC(C)CCCOCCCCCC(=O)N 7a_100011216074_100009817443 [0,1,0,0,0,0|3,0,0]=4 3761 B15R0.247 C[C@@H](CN)CCCOCCCCCC(=O)N 34a_100160569302_100009817443 [0,1,0,0,0,0|3,0,0]=4 3762 B15R0.247 C[C@@H](CO)CNCCOCCOCC(=O)O 269956a_100009854275_100000059175 [0,1,0,0,0,0|3,0,0]=4 3763 B15R0.247 O=C(O)COCCOCCNCC(O)CO 269956a_100009854275_100011219619 [0,1,0,0,0,0|3,0,0]=4 3764 B15R0.247 O=C(O)COCCOCCNC[C@@H](O)CO 269956a_100009854275_100009815848 [0,1,0,0,0,0|3,0,0]=4 3765 B15R0.252 CC(C)(O)CCCCCNCCCCCO 2230a_100000762737_100010402123 [0,1,0,0,0,0|2,0,1]=4 3766 B15R0.252 CC(C)(O)CCCCCNCCCCCO 34a_100000762737_100010402123 [0,1,0,0,0,0|2,0,1]=4 3767 B15R0.252 CC(C)(O)CCCCCSCCCCCO 62a_100000746330_100010402123 [0,1,0,0,0,0|2,0,1]=4 3768 B15R0.252 CC(C)(O)CCCCCSCCCCCO 62a_100010402123_100000746330 [0,1,0,0,0,0|2,0,1]=4 3769 B15R0.252 CC(C)(O)CCCNCCCCCCCO 2230a_100011996573_100009888830 [0,1,0,0,0,0|2,0,1]=4 3770 B15R0.252 CC(C)(O)CCCNCCCCCCCO 34a_100011996573_100009888830 [0,1,0,0,0,0|2,0,1]=4 3771 B15R0.252 CC(C)(O)CCCSCCCCCCCO 62a_100000760002_100009888830 [0,1,0,0,0,0|2,0,1]=4 3772 B15R0.252 CC(C)(O)CCCSCCCCCCCO 62a_100009888830_100000760002 [0,1,0,0,0,0|2,0,1]=4 3773 B15R0.252 CC(C)(O)CCNCCCCCCCCO 2230a_102515433106_100000702414 [0,1,0,0,0,0|2,0,1]=4 3774 B15R0.252 CC(C)(O)CCNCCCCCCCCO 34a_102515433106_100000702414 [0,1,0,0,0,0|2,0,1]=4 3775 B15R0.252 CC(C)(O)CCSCCCCCCCCO 62a_100000033203_100000702414 [0,1,0,0,0,0|2,0,1]=4 3776 B15R0.252 CC(C)(O)CCSCCCCCCCCO 62a_100000702414_100000033203 [0,1,0,0,0,0|2,0,1]=4 3777 B15R0.252 CC(C)(O)CNCCCCCCCCCO 2230a_100000751335_100009813782 [0,1,0,0,0,0|2,0,1]=4 3778 B15R0.252 CC(C)(O)CNCCCCCCCCCO 34a_100000078944_100000764493 [0,1,0,0,0,0|2,0,1]=4 3779 B15R0.252 CC(C)(O)CSCCCCCCCCCO 62a_100000764493_100009813782 [0,1,0,0,0,0|2,0,1]=4 3780 B15R0.252 CC(C)(O)CSCCCCCCCCCO 62a_100009813782_100000764493 [0,1,0,0,0,0|2,0,1]=4 3781 B15R0.252 CS(=O)(=O)CCCNCCCCCCCO 2230a_100000742409_100000760002 [0,1,0,0,0,0|2,0,1]=4 3782 B15R0.252 CS(=O)(=O)CCCNCCCCCCCO 2230a_100011996573_100000754308 [0,1,0,0,0,0|2,0,1]=4 3783 B15R0.252 CS(=O)(=O)CCCNCCCCCCCO 34a_100000742409_100000760002 [0,1,0,0,0,0|2,0,1]=4 3784 B15R0.252 CS(=O)(=O)CCCNCCCCCCCO 34a_100011996573_100000754308 [0,1,0,0,0,0|2,0,1]=4 3785 B15R0.252 CS(=O)(=O)CCCOCCCCCCCO 34a_100000689940_100000760002 [0,1,0,0,0,0|2,0,1]=4 3786 B15R0.252 CS(=O)(=O)CCCOCCCCCCCO 7a_100000689940_100000760002 [0,1,0,0,0,0|2,0,1]=4 3787 B15R0.252 CS(=O)(=O)CCCSCCCCCCCO 62a_100000754308_100000760002 [0,1,0,0,0,0|2,0,1]=4 3788 B15R0.252 CS(=O)(=O)CCCSCCCCCCCO 62a_100000760002_100000754308 [0,1,0,0,0,0|2,0,1]=4 3789 B15R0.252 CS(=O)(=O)CCNCCCCCCCCO 2230a_100000740961_100000033203 [0,1,0,0,0,0|2,0,1]=4 3790 B15R0.252 CS(=O)(=O)CCNCCCCCCCCO 2230a_102515433106_100000731031 [0,1,0,0,0,0|2,0,1]=4 3791 B15R0.252 CS(=O)(=O)CCNCCCCCCCCO 34a_100000740961_100000033203 [0,1,0,0,0,0|2,0,1]=4 3792 B15R0.252 CS(=O)(=O)CCNCCCCCCCCO 34a_102515433106_100000731031 [0,1,0,0,0,0|2,0,1]=4 3793 B15R0.252 CS(=O)(=O)CCOCCCCCCCCO 34a_100000211924_100000033203 [0,1,0,0,0,0|2,0,1]=4 3794 B15R0.252 CS(=O)(=O)CCOCCCCCCCCO 7a_100000211924_100000033203 [0,1,0,0,0,0|2,0,1]=4 3795 B15R0.252 CS(=O)(=O)CCSCCCCCCCCO 62a_100000033203_100000230027 [0,1,0,0,0,0|2,0,1]=4 3796 B15R0.252 CS(=O)(=O)CCSCCCCCCCCO 62a_100000731031_100000033203 [0,1,0,0,0,0|2,0,1]=4 3797 B15R0.252 CS(=O)(=O)NCCCCCCCCCCO 40a_100000066964_100000738038 [0,1,0,0,0,0|2,0,1]=4 3798 B15R0.252 NS(=O)(=O)CCCNCCCCCCCO 2230a_100011996573_100000750626 [0,1,0,0,0,0|2,0,1]=4 3799 B15R0.252 NS(=O)(=O)CCCNCCCCCCCO 34a_100011996573_100000750626 [0,1,0,0,0,0|2,0,1]=4 3800 B15R0.252 NS(=O)(=O)CCCSCCCCCCCO 62a_100000750626_100000760002 [0,1,0,0,0,0|2,0,1]=4 3801 B15R0.252 NS(=O)(=O)CCCSCCCCCCCO 62a_100000760002_100000750626 [0,1,0,0,0,0|2,0,1]=4 3802 B15R0.252 NS(=O)(=O)CCNCCCCCCCCO 2230a_100000738205_100000033203 [0,1,0,0,0,0|2,0,1]=4 3803 B15R0.252 NS(=O)(=O)CCNCCCCCCCCO 34a_100000738205_100000033203 [0,1,0,0,0,0|2,0,1]=4 3804 B15R0.252 NS(=O)(=O)CCOCCCCCCCCO 34a_100012334274_100000033203 [0,1,0,0,0,0|2,0,1]=4 3805 B15R0.252 NS(=O)(=O)CSCCCCCCCCCO 62a_100000741382_100009813782 [0,1,0,0,0,0|2,0,1]=4 3806 B15R0.252 NS(=O)(=O)CSCCCCCCCCCO 62a_100009813782_100000741382 [0,1,0,0,0,0|2,0,1]=4 3807 B15R0.252 O=S(=O)([O-])CCCNCCCCCCCO 34a_100011996573_100009813499 [0,1,0,0,0,0|2,0,1]=4 3808 B15R0.252 O=S(=O)([O-])CCCSCCCCCCCO 62a_100000760002_100009813499 [0,1,0,0,0,0|2,0,1]=4 3809 B15R0.252 O=S(=O)([O-])CCCSCCCCCCCO 62a_100009813499_100000760002 [0,1,0,0,0,0|2,0,1]=4 3810 B15R0.252 O=S(=O)([O-])CCNCCCCCCCCO 2230a_102515433106_100000737633 [0,1,0,0,0,0|2,0,1]=4 3811 B15R0.252 O=S(=O)([O-])CCNCCCCCCCCO 34a_102515433106_100000762736 [0,1,0,0,0,0|2,0,1]=4 3812 B15R0.252 O=S(=O)([O-])CCSCCCCCCCCO 62a_100000033203_100000762736 [0,1,0,0,0,0|2,0,1]=4 3813 B15R0.252 O=S(=O)([O-])CCSCCCCCCCCO 62a_100000762736_100000033203 [0,1,0,0,0,0|2,0,1]=4 3814 B15R0.252 O=S(=O)([O-])CNCCCCCCCCCO 34a_100000078944_100009817235 [0,1,0,0,0,0|2,0,1]=4 3815 B15R0.252 O=S(=O)([O-])CSCCCCCCCCCO 62a_100009813782_100009817235 [0,1,0,0,0,0|2,0,1]=4 3816 B15R0.252 O=S(=O)([O-])CSCCCCCCCCCO 62a_100009817235_100009813782 [0,1,0,0,0,0|2,0,1]=4 3817 B15R0.367 C#CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100012276617 [0,1,0,0,0,0|2,0,1]=4 3818 B15R0.367 C=CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215473 [0,1,0,0,0,0|2,0,1]=4 3819 B15R0.367 CC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100011215641 [0,1,0,0,0,0|1,0,1]=3 3820 B15R0.367 CC(=O)NCCC(=O)CCCCCCCO 1458a_100000183196_100000760002 [0,1,0,0,0,0|2,0,1]=4 3821 B15R0.367 CC(=O)NCCC(=O)CCCCCCCO 1458a_100011219782_100000189650 [0,1,0,0,0,0|2,0,1]=4 3822 B15R0.367 CC(=O)OCCC(=O)CCCCCCCO 1458a_100011219782_100009814007 [0,1,0,0,0,0|2,0,1]=4 3823 B15R0.367 CC(=O)SCCC(=O)CCCCCCCO 1458a_100000048949_100000760002 [0,1,0,0,0,0|2,0,1]=4 3824 B15R0.367 CC(CCCC(=O)[O-])OCCCCCCF 7a_100000761597_100015922095 [0,1,0,0,0,0|2,0,1]=4 3825 B15R0.367 CC(CCCC(=O)[O-])OCCCCCCO 7a_100000761597_100000766143 [0,1,0,0,0,0|1,0,1]=3 3826 B15R0.367 CC(O)CCCC(=O)CCCCCCCO 1458a_100011219782_200000718107 [0,1,0,0,0,0|1,0,2]=4 3827 B15R0.367 CCCCCCCCC(=O)CCCC(=O)C 1458a_100000210188_100011215641 [0,1,0,0,0,0|2,0,1]=4 3828 B15R0.367 CCCCCCCCC(=O)CCCC(=O)N 1458a_100000210188_100102525003 [0,1,0,0,0,0|2,0,1]=4 3829 B15R0.367 CCCCCCCCC(C)COCC(=O)N 34a_200012125181_100000187820 [0,1,0,0,0,0|3,0,0]=4 3830 B15R0.367 CCCCCCCCC(C)COCC(=O)N 7a_200012125181_100000187820 [0,1,0,0,0,0|3,0,0]=4 3831 B15R0.367 CCCCCCCCC(C)COCC(=O)[O-] 34a_200012125181_100020667443 [0,1,0,0,0,0|2,0,1]=4 3832 B15R0.367 CCCCCCCCC(C)OCCC(=O)C 7a_100000210740_100000053229 [0,1,0,0,0,0|3,0,0]=4 3833 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 34a_100000210740_100000731001 [0,1,0,0,0,0|3,0,0]=4 3834 B15R0.367 CCCCCCCCC(C)OCCC(=O)N 7a_100000210740_100000744528 [0,1,0,0,0,0|3,0,0]=4 3835 B15R0.367 CCCCCCCCN(C)CCCC(=O)C 269982a_100000207567_100011215641 [0,1,0,0,0,0|3,0,0]=4 3836 B15R0.367 CCCCCCCCN(C)CCCC(=O)N 269982a_100000207567_100102525003 [0,1,0,0,0,0|3,0,0]=4 3837 B15R0.367 CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210759 [0,1,0,0,0,0|2,0,0]=3 3838 B15R0.367 CCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210614 [0,1,0,0,0,0|2,0,1]=4 3839 B15R0.367 CN(CCCCCCC#N)CCCC(=O)O 269956a_100000719178_100009813337 [0,1,0,0,0,0|2,0,1]=4 3840 B15R0.367 CN(CCCCCCCO)CCCC(=O)O 269956a_100000719178_100000760002 [0,1,0,0,0,0|1,0,0]=2 3841 B15R0.367 COCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011998445 [0,1,0,0,0,0|3,0,0]=4 3842 B15R0.367 NC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100102525003 [0,1,0,0,0,0|1,0,1]=3 3843 B15R0.367 NC(=O)CCNC(=O)CCCCCCCO 240690a_100000740010_100011219782 [0,1,0,0,0,0|2,0,1]=4 3844 B15R0.367 NC(=O)COCC(=O)CCCCCCCO 1458a_100011219004_100000760002 [0,1,0,0,0,0|2,0,1]=4 3845 B15R0.367 NC(=O)NCCC(=O)CCCCCCCO 1458a_100000181464_100000760002 [0,1,0,0,0,0|2,0,1]=4 3846 B15R0.367 NC(=O)NCCC(=O)CCCCCCCO 1458a_100011219782_200000034859 [0,1,0,0,0,0|2,0,1]=4 3847 B15R0.367 NC(=O)OCCC(=O)CCCCCCCO 1458a_100011219782_200011214921 [0,1,0,0,0,0|2,0,1]=4 3848 B15R0.367 O=C(CCCCCCCO)CCC[N+](=O)[O-] 1458a_100016109205_100000760002 [0,1,0,0,0,0|1,0,2]=4 3849 B15R1.34 CCCCCCCCNC1COC(=O)O1 34a_100000229939_100000032252 [0,0,0,1,0,0|3,0,0]=4 3850 B15R1.34 CCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210759 [0,0,0,1,0,0|3,0,0]=4 3851 B15R1.34 CCCCCCCCOC1COC(=O)O1 34a_100000210232_100000032252 [0,0,0,1,0,0|3,0,0]=4 3852 B15R1.34 CCCCCCCCSC1COC(=O)O1 62a_100000210759_100000032252 [0,0,0,1,0,0|3,0,0]=4 3853 B15R1.34 CCCCCCCNCC1CNC(=O)O1 2230a_100000229938_100000181169 [0,0,0,1,0,0|3,0,0]=4 3854 B15R1.34 CCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229938_100015189358 [0,0,0,1,0,0|3,0,0]=4 3855 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210681 [0,0,0,1,0,0|3,0,0]=4 3856 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210614 [0,0,0,1,0,0|3,0,0]=4 3857 B15R1.34 CCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210614 [0,0,0,1,0,0|3,0,0]=4 3858 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100000210272_100000181169 [0,0,0,1,0,0|3,0,0]=4 3859 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210614 [0,0,0,1,0,0|3,0,0]=4 3860 B15R1.34 CCCCCCCOCC1CNC(=O)O1 7a_100000210272_100000181169 [0,0,0,1,0,0|3,0,0]=4 3861 B15R1.34 CCCCCCCOCC1COC(=O)O1 34a_100000210272_100000073702 [0,0,0,1,0,0|3,0,0]=4 3862 B15R1.34 CCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210272_100015189358 [0,0,0,1,0,0|3,0,0]=4 3863 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210316 [0,0,0,1,0,0|3,0,0]=4 3864 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000210614_100000181169 [0,0,0,1,0,0|3,0,0]=4 3865 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210316 [0,0,0,1,0,0|3,0,0]=4 3866 B15R1.34 CCCCCCCSCC1COC(=O)O1 62a_100000210614_100000073702 [0,0,0,1,0,0|3,0,0]=4 3867 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210614_100015189358 [0,0,0,1,0,0|3,0,0]=4 3868 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210316 [0,0,0,1,0,0|3,0,0]=4 3869 B15R1.34 NCCCCCCCOC1COC(=O)O1 34a_100011996573_100000032252 [0,0,0,1,0,0|3,0,0]=4 3870 B15R1.34 NCCCCCCOCC1CNC(=O)O1 34a_100000686447_100000181169 [0,0,0,1,0,0|3,0,0]=4 3871 B15R1.34 NCCCCCCOCC1COC(=O)O1 34a_100000686447_100000073702 [0,0,0,1,0,0|3,0,0]=4 3872 B15R1.34 O=C1CC(CN1)CNCCCCCCO 2230a_100016993742_100000766143 [0,0,0,1,0,0|3,0,0]=4 3873 B15R1.34 O=C1CC(CN1)CNCCCCCCO 34a_100016993742_100000766143 [0,0,0,1,0,0|3,0,0]=4 3874 B15R1.34 O=C1CC(CN1)COCCCCCCO 34a_100016041077_100000766143 [0,0,0,1,0,0|3,0,0]=4 3875 B15R1.34 O=C1CC(CN1)NCCCCCCCO 2230a_100000697751_100000760002 [0,0,0,1,0,0|3,0,0]=4 3876 B15R1.34 O=C1CC(CN1)OCCCCCCCO 34a_100000690082_100000760002 [0,0,0,1,0,0|3,0,0]=4 3877 B15R1.34 O=C1CCC(C1)OCCCCCCCO 34a_100012614533_100000760002 [0,0,0,1,0,0|2,0,0]=3 3878 B15R1.34 O=C1CCC(N1)COCCCCCCF 34a_100000737831_100015922095 [0,0,0,1,0,0|3,0,0]=4 3879 B15R1.34 O=C1CCC(N1)COCCCCCCO 34a_100000737831_100000766143 [0,0,0,1,0,0|2,0,0]=3 3880 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 2230a_100015423886_100015922095 [0,0,0,1,0,0|3,0,0]=4 3881 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCF 34a_100015423886_100015922095 [0,0,0,1,0,0|3,0,0]=4 3882 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 2230a_100015423886_100000766143 [0,0,0,1,0,0|2,0,0]=3 3883 B15R1.34 O=C1CC[C@@H](N1)CNCCCCCCO 34a_100015423886_100000766143 [0,0,0,1,0,0|2,0,0]=3 3884 B15R1.34 O=C1CC[C@H](N1)CNCCCCCCO 2230a_100000686447_100015189358 [0,0,0,1,0,0|2,0,0]=3 3885 B15R1.34 O=C1CC[C@H](N1)COCCCCCCBr 7a_100011215345_100015189358 [0,0,0,1,0,0|3,0,0]=4 3886 B15R1.34 O=C1CC[C@H](N1)COCCCCCCCl 7a_100000766143_100015189358 [0,0,0,1,0,0|3,0,0]=4 3887 B15R1.34 O=C1CC[C@H](N1)COCCCCCCF 7a_100000732779_100015189358 [0,0,0,1,0,0|3,0,0]=4 3888 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015189358_100015922095 [0,0,0,1,0,0|3,0,0]=4 3889 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCF 62a_100015922095_100015189358 [0,0,0,1,0,0|3,0,0]=4 3890 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100000766143_100015189358 [0,0,0,1,0,0|2,0,0]=3 3891 B15R1.34 O=C1CC[C@H](N1)CSCCCCCCO 62a_100015189358_100000766143 [0,0,0,1,0,0|2,0,0]=3 3892 B15R1.34 O=C1CN(CN1)CCCCCCCCO 2230a_200000708111_100000033203 [0,0,0,1,0,0|3,0,0]=4 3893 B15R1.34 O=C1NCC(O1)CNCCCCCCO 2230a_100000686447_100000181169 [0,0,0,1,0,0|2,0,0]=3 3894 B15R1.34 O=C1NCC(O1)CNCCCCCCO 34a_100000686447_100000181169 [0,0,0,1,0,0|2,0,0]=3 3895 B15R1.34 O=C1NCC(O1)COCCCCCCBr 34a_100011215345_100000181169 [0,0,0,1,0,0|3,0,0]=4 3896 B15R1.34 O=C1NCC(O1)COCCCCCCBr 7a_100011215345_100000181169 [0,0,0,1,0,0|3,0,0]=4 3897 B15R1.34 O=C1NCC(O1)COCCCCCCCl 34a_100000766143_100000181169 [0,0,0,1,0,0|3,0,0]=4 3898 B15R1.34 O=C1NCC(O1)COCCCCCCCl 7a_100000766143_100000181169 [0,0,0,1,0,0|3,0,0]=4 3899 B15R1.34 O=C1NCC(O1)COCCCCCCF 34a_100000732779_100000181169 [0,0,0,1,0,0|3,0,0]=4 3900 B15R1.34 O=C1NCC(O1)COCCCCCCF 34a_100011315639_100015922095 [0,0,0,1,0,0|3,0,0]=4 3901 B15R1.34 O=C1NCC(O1)COCCCCCCF 7a_100000732779_100000181169 [0,0,0,1,0,0|3,0,0]=4 3902 B15R1.34 O=C1NCC(O1)COCCCCCCO 34a_100011315639_100000766143 [0,0,0,1,0,0|2,0,0]=3 3903 B15R1.34 O=C1NCC(O1)CSCCCCCCF 62a_100000181169_100015922095 [0,0,0,1,0,0|3,0,0]=4 3904 B15R1.34 O=C1NCC(O1)CSCCCCCCF 62a_100015922095_100000181169 [0,0,0,1,0,0|3,0,0]=4 3905 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000181169_100000766143 [0,0,0,1,0,0|2,0,0]=3 3906 B15R1.34 O=C1NCC(O1)CSCCCCCCO 62a_100000766143_100000181169 [0,0,0,1,0,0|2,0,0]=3 3907 B15R1.34 O=C1N[C@H](CO1)CNCCCCCCO 2230a_100000686447_100015307671 [0,0,0,1,0,0|3,0,0]=4 3908 B15R1.34 O=C1N[C@H](CO1)CNCCCCCCO 34a_100000686447_100015307671 [0,0,0,1,0,0|3,0,0]=4 3909 B15R1.34 O=C1N[C@H](CO1)CSCCCCCCO 62a_100000766143_100015307671 [0,0,0,1,0,0|3,0,0]=4 3910 B15R1.34 O=C1N[C@H](CO1)CSCCCCCCO 62a_100015307671_100000766143 [0,0,0,1,0,0|3,0,0]=4 3911 B15R1.34 O=C1OCC(O1)CNCCCCCCO 34a_100000686447_100000073702 [0,0,0,1,0,0|2,0,0]=3 3912 B15R1.34 O=C1OCC(O1)COCCCCCCBr 34a_100011215345_100000073702 [0,0,0,1,0,0|3,0,0]=4 3913 B15R1.34 O=C1OCC(O1)COCCCCCCCl 34a_100000766143_100000073702 [0,0,0,1,0,0|3,0,0]=4 3914 B15R1.34 O=C1OCC(O1)COCCCCCCF 34a_100000732779_100000073702 [0,0,0,1,0,0|3,0,0]=4 3915 B15R1.34 O=C1OCC(O1)CSCCCCCCF 62a_100000073702_100015922095 [0,0,0,1,0,0|3,0,0]=4 3916 B15R1.34 O=C1OCC(O1)CSCCCCCCF 62a_100015922095_100000073702 [0,0,0,1,0,0|3,0,0]=4 3917 B15R1.34 O=C1OCC(O1)CSCCCCCCO 62a_100000073702_100000766143 [0,0,0,1,0,0|2,0,0]=3 3918 B15R1.34 O=C1OCC(O1)CSCCCCCCO 62a_100000766143_100000073702 [0,0,0,1,0,0|2,0,0]=3 3919 B15R1.34 O=C1OCC(O1)NCCCCCCCO 34a_100011996573_100000032252 [0,0,0,1,0,0|2,0,0]=3 3920 B15R1.34 O=C1OCC(O1)NCCCOCCCO 34a_100011310245_100000032252 [0,0,0,1,0,0|3,0,0]=4 3921 B15R1.34 O=C1OCC(O1)OCCCCCCCBr 34a_100000760002_100000032252 [0,0,0,1,0,0|3,0,0]=4 3922 B15R1.34 O=C1OCC(O1)SCCCCCCCO 62a_100000760002_100000032252 [0,0,0,1,0,0|2,0,0]=3 3923 B15R1.34 O=S1OCC(O1)CCSCCCCCO 62a_100000746330_100009840081 [0,0,0,1,0,0|3,0,0]=4 3924 B15R1.34 OCCCCCCCCN1CCC(C1)O 2230a_100011215560_100000033203 [0,0,0,1,0,0|2,0,1]=4 3925 B15R1.34 OCCCCCCCCN1CCC(C1)O 269982a_100011215560_100000033203 [0,0,0,1,0,0|2,0,1]=4 3926 B15R1.34 OCCCCCCCNC1CCC(C1)O 270004a_100011996573_100012614533 [0,0,0,1,0,0|2,0,1]=4 3927 B15R1.34 OCCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000760002 [0,0,0,1,0,0|2,0,1]=4 3928 B15R1.84 CC(=O)CCCCN1CCCCC1CO 269982a_100000210821_100000735457 [0,0,0,1,0,0|2,0,0]=3 3929 B15R1.84 CC(=O)CCCCN1CCCCC1CO 34a_100000210821_100009817362 [0,0,0,1,0,0|2,0,0]=3 3930 B15R1.84 CC(=O)CCCCN1CCOC[C@H]1CO 269982a_100000717676_100000735457 [0,0,0,1,0,0|3,0,0]=4 3931 B15R1.84 CC(=O)CCCCN1CCOC[C@H]1CO 34a_100000717676_100009817362 [0,0,0,1,0,0|3,0,0]=4 3932 B15R1.84 CC(=O)CCCNC1CCOCC1CO 34a_214813039666_100000685027 [0,0,0,1,0,0|3,0,0]=4 3933 B15R1.84 CC(=O)CCCOC1CCCCC1CN 34a_100011216029_100000685027 [0,0,0,1,0,0|3,0,0]=4 3934 B15R1.84 CC(=O)NCCCN1CCCCC1CO 240690a_200011473794_100015343762 [0,0,0,1,0,0|3,0,0]=4 3935 B15R1.84 CC(=O)OCCCN1CCCCC1CO 269982a_100000210821_100000042594 [0,0,0,1,0,0|3,0,0]=4 3936 B15R1.84 CC(=O)OCCCN1CCCCC1CO 34a_100000210821_100000042594 [0,0,0,1,0,0|3,0,0]=4 3937 B15R1.84 CC(=O)SCCCN1CCCCC1CO 2230a_100000210821_100000038929 [0,0,0,1,0,0|3,0,0]=4 3938 B15R1.84 CC(=O)SCCCN1CCCCC1CO 269982a_100000210821_100000038929 [0,0,0,1,0,0|3,0,0]=4 3939 B15R1.84 CC(=O)SCCCN1CCCCC1CO 34a_100000210821_100000038929 [0,0,0,1,0,0|3,0,0]=4 3940 B15R1.84 CCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000757040 [0,0,0,1,0,0|3,0,0]=4 3941 B15R1.84 CCC1CCCCC1OCCCC(=O)C 34a_100000210738_100000685027 [0,0,0,1,0,0|3,0,0]=4 3942 B15R1.84 CCC1CCCCC1OCCCC(=O)C 7a_100000210738_100011215641 [0,0,0,1,0,0|3,0,0]=4 3943 B15R1.84 CCC1CCCCC1OCCCC(=O)N 34a_100000210738_100102525003 [0,0,0,1,0,0|3,0,0]=4 3944 B15R1.84 CCC1CCCCC1OCCCC(=O)N 7a_100000210738_100102525003 [0,0,0,1,0,0|3,0,0]=4 3945 B15R1.84 CCC1CCCCN1CCCCC(=O)C 269982a_100000210034_100000735457 [0,0,0,1,0,0|3,0,0]=4 3946 B15R1.84 CCC1CCCCN1CCCCC(=O)C 34a_100000210034_100009817362 [0,0,0,1,0,0|3,0,0]=4 3947 B15R1.84 CS(=O)CCCNC1CCCCC1CO 270004a_200000753449_100009861125 [0,0,0,1,0,0|3,0,0]=4 3948 B15R1.84 NC(=O)CCCNC1CCOCC1CO 34a_214813039666_100102525003 [0,0,0,1,0,0|3,0,0]=4 3949 B15R1.84 NC(=O)CNCCN1CCCCC1CO 2230a_100011473795_100000747473 [0,0,0,1,0,0|3,0,0]=4 3950 B15R1.84 NC(=O)CNCCN1CCCCC1CO 34a_100011473795_100000187820 [0,0,0,1,0,0|3,0,0]=4 3951 B15R1.84 NC(=O)COCCN1CCCCC1CO 2230a_100000210821_100000076697 [0,0,0,1,0,0|3,0,0]=4 3952 B15R1.84 NC(=O)COCCN1CCCCC1CO 269982a_100000210821_100000076697 [0,0,0,1,0,0|3,0,0]=4 3953 B15R1.84 NC(=O)COCCN1CCCCC1CO 34a_100000210821_100000076697 [0,0,0,1,0,0|3,0,0]=4 3954 B15R1.84 NCC1CCCCC1OCCCC(=O)N 34a_100011216029_100102525003 [0,0,0,1,0,0|3,0,0]=4 3955 B15R1.84 O=C([O-])CNCCN1CCCCC1CO 34a_100011473795_100020667443 [0,0,0,1,0,0|2,0,1]=4 3956 B15R1.84 OCC1CCCCN1CCCCB(O)O 2230a_100000210821_200009817182 [0,0,0,1,0,0|2,0,1]=4 3957 B15R1.84 OCC1CCCCN1CCCCB(O)O 269982a_100000210821_200009817182 [0,0,0,1,0,0|2,0,1]=4 3958 B15R1.84 OCC1CCCCN1CCCCB(O)O 34a_100000210821_200009817182 [0,0,0,1,0,0|2,0,1]=4 3959 B15R1.95 CC(=O)OCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000033659 [0,0,0,1,0,0|3,0,0]=4 3960 B15R1.95 CC(=O)OCCCCN1CCC[C@@H]1CO 34a_100000745186_100000033659 [0,0,0,1,0,0|3,0,0]=4 3961 B15R1.95 CC(=O)SCCCCN1CCC[C@@H]1CO 2230a_100000745186_200010402107 [0,0,0,1,0,0|3,0,0]=4 3962 B15R1.95 CC(=O)SCCCCN1CCC[C@@H]1CO 269982a_100000745186_200010402107 [0,0,0,1,0,0|3,0,0]=4 3963 B15R1.95 CC(=O)SCCCCN1CCC[C@@H]1CO 34a_100000745186_200010402107 [0,0,0,1,0,0|3,0,0]=4 3964 B15R1.95 CCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000749056 [0,0,0,1,0,0|3,0,0]=4 3965 B15R1.95 CCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000749056 [0,0,0,1,0,0|3,0,0]=4 3966 B15R1.95 CCC1CCCN1CCCCCC(=O)N 2230a_100000754278_100009817443 [0,0,0,1,0,0|3,0,0]=4 3967 B15R1.95 CCC1CCCN1CCCCCC(=O)N 269982a_100000754278_100009817443 [0,0,0,1,0,0|3,0,0]=4 3968 B15R1.95 CCC1CCCN1CCCCCC(=O)N 34a_100000754278_100009817443 [0,0,0,1,0,0|3,0,0]=4 3969 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009817443 [0,0,0,1,0,0|2,0,0]=3 3970 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009817443 [0,0,0,1,0,0|2,0,0]=3 3971 B15R1.95 NC(=O)CCCCCN1CCC[C@@H]1CO 34a_100000745186_100009817443 [0,0,0,1,0,0|2,0,0]=3 3972 B15R1.95 OC[C@H]1CCCN1CCCCCB(O)O 2230a_100000745186_200009817188 [0,0,0,1,0,0|2,0,1]=4 3973 B15R1.95 OC[C@H]1CCCN1CCCCCB(O)O 269982a_100000745186_200009817188 [0,0,0,1,0,0|2,0,1]=4 3974 B15R1.95 OC[C@H]1CCCN1CCCCCB(O)O 34a_100000745186_200009817188 [0,0,0,1,0,0|2,0,1]=4 3975 B15R1.106 CC1=CC(CCC1)OCCCCCCO 34a_100011218613_100000766143 [0,0,0,1,0,0|3,0,0]=4 3976 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [0,0,0,1,0,0|3,0,0]=4 3977 B15R1.106 CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210314 [0,0,0,1,0,0|3,0,0]=4 3978 B15R1.106 O=C1CC(CCN1)COCCCCCO 34a_100009886756_100000746330 [0,0,0,1,0,0|3,0,0]=4 3979 B15R1.106 O=C1CC(CCN1)NCCCCCCO 2230a_100016994916_100000766143 [0,0,0,1,0,0|3,0,0]=4 3980 B15R1.106 O=C1CC(CCN1)NCCCCCCO 34a_100016994916_100000766143 [0,0,0,1,0,0|3,0,0]=4 3981 B15R1.106 O=C1CCCC(C1)OCCCCCCF 34a_100012613340_100015922095 [0,0,0,1,0,0|3,0,0]=4 3982 B15R1.106 O=C1CCCC(C1)OCCCCCCO 34a_100012613340_100000766143 [0,0,0,1,0,0|2,0,0]=3 3983 B15R1.106 O=C1CCCC(N1)COCCCCCF 34a_200000102386_100000729378 [0,0,0,1,0,0|3,0,0]=4 3984 B15R1.106 O=C1CCCC(N1)COCCCCCO 34a_200000102386_100000746330 [0,0,0,1,0,0|2,0,0]=3 3985 B15R1.106 O=C1CCCC(N1)COCCOCCO 34a_200000102386_100000692535 [0,0,0,1,0,0|3,0,0]=4 3986 B15R1.106 O=C1CN(CCN1)CCCCCCCO 2230a_100000184651_100000760002 [0,0,0,1,0,0|3,0,0]=4 3987 B15R1.106 O=C1CN(CCO1)CCCCCCCO 2230a_100000131268_100000760002 [0,0,0,1,0,0|3,0,0]=4 3988 B15R1.106 O=C1COCC(N1)COCCCCCO 34a_200000101122_100000746330 [0,0,0,1,0,0|3,0,0]=4 3989 B15R1.106 O=C1C[C@@H](CCN1)OCCCCCCO 34a_100015189427_100000766143 [0,0,0,1,0,0|3,0,0]=4 3990 B15R1.106 OCCCCCCCN1CCCC(C1)O 2230a_100000211013_100000760002 [0,0,0,1,0,0|2,0,1]=4 3991 B15R1.106 OCCCCCCCN1CCCC(C1)O 269982a_100000211013_100000760002 [0,0,0,1,0,0|2,0,1]=4 3992 B15R1.106 OCCCCCCNC1CCCC(C1)O 2230a_100015190357_100000766143 [0,0,0,1,0,0|2,0,1]=4 3993 B15R1.106 OCCCCCCNC1CCCC(C1)O 270004a_100000686447_100012613340 [0,0,0,1,0,0|2,0,1]=4 3994 B15R1.106 OCCCCCNCC1CCCC(C1)O 2230a_100011254705_100000746330 [0,0,0,1,0,0|2,0,1]=4 3995 B15R1.131 CC(=O)CCCCNC1CCCCC1C 34a_100000211402_100009817362 [0,0,0,1,0,0|3,0,0]=4 3996 B15R1.131 CC(=O)CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817362 [0,0,0,1,0,0|3,0,0]=4 3997 B15R1.131 CC(=O)CCCCOC1CCCCC1C 34a_100000211207_100009817362 [0,0,0,1,0,0|3,0,0]=4 3998 B15R1.131 CC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000735457 [0,0,0,1,0,0|3,0,0]=4 3999 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 34a_100000038908_100009817362 [0,0,0,1,0,0|3,0,0]=4 4000 B15R1.131 CC(=O)CCCCOC1CCCCC1Cl 7a_100000038908_100000735457 [0,0,0,1,0,0|3,0,0]=4 4001 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817362 [0,0,0,1,0,0|3,0,0]=4 4002 B15R1.131 CC(=O)CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000735457 [0,0,0,1,0,0|3,0,0]=4 4003 B15R1.131 CC(=O)CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817362 [0,0,0,1,0,0|3,0,0]=4 4004 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100000735457_100015423560 [0,0,0,1,0,0|3,0,0]=4 4005 B15R1.131 CC(=O)CCCCSC1CCCCC1F 62a_100015423560_100000735457 [0,0,0,1,0,0|3,0,0]=4 4006 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000038908_100000735457 [0,0,0,1,0,0|2,0,0]=3 4007 B15R1.131 CC(=O)CCCCSC1CCCCC1O 62a_100000735457_100000038908 [0,0,0,1,0,0|2,0,0]=3 4008 B15R1.131 CC(=O)CCCNCC1CCCCC1O 34a_100011216029_100000685027 [0,0,0,1,0,0|2,0,0]=3 4009 B15R1.131 CC(=O)NCCCNC1CCCCC1O 34a_100000736810_100000038908 [0,0,0,1,0,0|3,0,0]=4 4010 B15R1.131 CC(=O)NCCCOC1CCCCC1O 34a_100000752032_100000038908 [0,0,0,1,0,0|3,0,0]=4 4011 B15R1.131 CC(=O)OCCCSC1CCCCC1O 62a_100000038908_100000042594 [0,0,0,1,0,0|3,0,0]=4 4012 B15R1.131 CC(=O)OCCCSC1CCCCC1O 62a_100000042594_100000038908 [0,0,0,1,0,0|3,0,0]=4 4013 B15R1.131 CC(=O)OCCNCC1CCCCC1O 34a_100011216029_100009814007 [0,0,0,1,0,0|3,0,0]=4 4014 B15R1.131 CC(=O)SCCCSC1CCCCC1O 62a_100000038908_100000038929 [0,0,0,1,0,0|3,0,0]=4 4015 B15R1.131 CC(=O)SCCCSC1CCCCC1O 62a_100000038929_100000038908 [0,0,0,1,0,0|3,0,0]=4 4016 B15R1.131 CC(O)CCCNCC1CCCCC1O 34a_100011216029_200000718107 [0,0,0,1,0,0|2,0,1]=4 4017 B15R1.131 CC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000210921 [0,0,0,1,0,0|3,0,0]=4 4018 B15R1.131 CC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000210921 [0,0,0,1,0,0|3,0,0]=4 4019 B15R1.131 CC1CCCCN1CCCCCC(=O)N 2230a_100000211376_100009817443 [0,0,0,1,0,0|3,0,0]=4 4020 B15R1.131 CC1CCCCN1CCCCCC(=O)N 269982a_100000211376_100009817443 [0,0,0,1,0,0|3,0,0]=4 4021 B15R1.131 CC1CCCCN1CCCCCC(=O)N 34a_100000211376_100009817443 [0,0,0,1,0,0|3,0,0]=4 4022 B15R1.131 NC(=O)CCCCNC1CCCCC1F 34a_100000696515_100015423560 [0,0,0,1,0,0|3,0,0]=4 4023 B15R1.131 NC(=O)CCCCNC1CCCCC1O 34a_100000696515_100000038908 [0,0,0,1,0,0|2,0,0]=3 4024 B15R1.131 NC(=O)CCCCOC1CCCCC1F 34a_100012022536_100015423560 [0,0,0,1,0,0|3,0,0]=4 4025 B15R1.131 NC(=O)CCCCOC1CCCCC1O 34a_100012022536_100000038908 [0,0,0,1,0,0|2,0,0]=3 4026 B15R1.131 NC(=O)CCCNCC1CCCCC1O 34a_100011216029_100102525003 [0,0,0,1,0,0|2,0,0]=3 4027 B15R1.131 NC(=O)COCCSC1CCCCC1O 62a_100000038908_100000076697 [0,0,0,1,0,0|3,0,0]=4 4028 B15R1.131 NC(=O)COCCSC1CCCCC1O 62a_100000076697_100000038908 [0,0,0,1,0,0|3,0,0]=4 4029 B15R1.131 NC(=O)OCCNCC1CCCCC1O 34a_100011216029_200011214921 [0,0,0,1,0,0|3,0,0]=4 4030 B15R1.131 O=C(O)COCCNC1CCCCC1F 269956a_100000700818_100015423560 [0,0,0,1,0,0|3,0,0]=4 4031 B15R1.131 O=C(O)COCCNC1CCCCC1O 269956a_100000700818_100000038908 [0,0,0,1,0,0|2,0,0]=3 4032 B15R1.131 O=[N+]([O-])CCCCOC1CCCCC1O 34a_200015379883_100000038908 [0,0,0,1,0,0|2,0,1]=4 4033 B15R1.131 OB(O)CCCCSC1CCCCC1O 62a_100000038908_200009817182 [0,0,0,1,0,0|2,0,1]=4 4034 B15R1.131 OB(O)CCCCSC1CCCCC1O 62a_200009817182_100000038908 [0,0,0,1,0,0|2,0,1]=4 4035 B15R1.241 C#CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100010269958 [0,0,0,1,0,0|2,0,1]=4 4036 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 4037 B15R1.241 C=CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215482 [0,0,0,1,0,0|2,0,1]=4 4038 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 4039 B15R1.241 CCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210314 [0,0,0,1,0,0|3,0,0]=4 4040 B15R1.241 CCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210757 [0,0,0,1,0,0|3,0,0]=4 4041 B15R1.241 CCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210314 [0,0,0,1,0,0|3,0,0]=4 4042 B15R1.241 CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210757 [0,0,0,1,0,0|2,0,0]=3 4043 B15R1.241 CCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210757 [0,0,0,1,0,0|3,0,0]=4 4044 B15R1.241 CCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210757 [0,0,0,1,0,0|3,0,0]=4 4045 B15R1.241 CCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210757 [0,0,0,1,0,0|3,0,0]=4 4046 B15R1.241 CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210326 [0,0,0,1,0,0|2,0,0]=3 4047 B15R1.241 CCCCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011995733 [0,0,0,1,0,0|3,0,0]=4 4048 B15R1.241 CCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215938 [0,0,0,1,0,0|3,0,0]=4 4049 B15R1.241 CCOCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012232248 [0,0,0,1,0,0|3,0,0]=4 4050 B15R1.241 CCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210147 [0,0,0,1,0,0|3,0,0]=4 4051 B15R1.241 CCSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000757381 [0,0,0,1,0,0|3,0,0]=4 4052 B15R1.241 COCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000730899 [0,0,0,1,0,0|3,0,0]=4 4053 B15R1.241 COCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000740836 [0,0,0,1,0,0|3,0,0]=4 4054 B15R1.241 N#CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011219923 [0,0,0,1,0,0|2,0,1]=4 4055 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 4056 B15R1.241 NC(=O)C1CCCCN1CCCCCF 2230a_100000181395_100000729378 [0,0,0,1,0,0|3,0,0]=4 4057 B15R1.241 NC(=O)C1CCCCN1CCCCCF 269982a_100000181395_100000729378 [0,0,0,1,0,0|3,0,0]=4 4058 B15R1.241 NC(=O)C1CCCCN1CCCCCF 34a_100000181395_100000729378 [0,0,0,1,0,0|3,0,0]=4 4059 B15R1.241 NC(=O)C1CCCCN1CCCCCO 2230a_100000181395_100000746330 [0,0,0,1,0,0|2,0,0]=3 4060 B15R1.241 NC(=O)C1CCCCN1CCCCCO 269982a_100000181395_100000746330 [0,0,0,1,0,0|2,0,0]=3 4061 B15R1.241 NC(=O)C1CCCCN1CCCCCO 34a_100000181395_100000746330 [0,0,0,1,0,0|2,0,0]=3 4062 B15R1.241 NC(=O)C1CCCCN1CCOCCO 2230a_100000181395_100011215305 [0,0,0,1,0,0|3,0,0]=4 4063 B15R1.241 NC(=O)C1CCCCN1CCOCCO 269982a_100000181395_100011215305 [0,0,0,1,0,0|3,0,0]=4 4064 B15R1.241 NC(=O)C1CCCCN1CCOCCO 34a_100000181395_100000692535 [0,0,0,1,0,0|3,0,0]=4 4065 B15R1.241 O=C(O)C1CCSCN1CCCCCF 269956a_100015185162_100000729378 [0,0,0,1,0,0|3,0,0]=4 4066 B15R1.241 O=C(O)C1CCSCN1CCCCCO 269956a_100015185162_100000746330 [0,0,0,1,0,0|2,0,0]=3 4067 B15R1.241 O=C(O)C1CCSCN1CCOCCO 269956a_100015185162_100011215305 [0,0,0,1,0,0|3,0,0]=4 4068 B15R1.241 O=C(O)C1CSCCN1CCCCCF 269956a_100011346106_100000729378 [0,0,0,1,0,0|3,0,0]=4 4069 B15R1.241 O=C(O)C1CSCCN1CCCCCO 269956a_100011346106_100000746330 [0,0,0,1,0,0|2,0,0]=3 4070 B15R1.241 O=C(O)C1CSCCN1CCOCCO 269956a_100011346106_100011215305 [0,0,0,1,0,0|3,0,0]=4 4071 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCC#CCO 269956a_100009816435_200000047223 [0,0,0,1,0,0|1,0,2]=4 4072 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCF 269956a_100009816435_100000729493 [0,0,0,1,0,0|2,0,0]=3 4073 B15R1.241 O=C(O)[C@@H]1CCCC[C@H]1NCCCCO 269956a_100009816435_100000210776 [0,0,0,1,0,0|1,0,0]=2 4074 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCF 269956a_100000763471_100000729378 [0,0,0,1,0,0|2,0,0]=3 4075 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCO 269956a_100000763471_100000746330 [0,0,0,1,0,0|1,0,0]=2 4076 B15R1.241 O=C(O)[C@H]1CCCCN1CCOCCO 269956a_100000763471_100011215305 [0,0,0,1,0,0|2,0,0]=3 4077 B15R1.241 O=C(O)[C@H]1COCCN1CCCCCF 269956a_100016993156_100000729378 [0,0,0,1,0,0|3,0,0]=4 4078 B15R1.241 O=C(O)[C@H]1COCCN1CCCCCO 269956a_100016993156_100000746330 [0,0,0,1,0,0|2,0,0]=3 4079 B15R1.241 O=C(O)[C@H]1COCCN1CCOCCO 269956a_100016993156_100011215305 [0,0,0,1,0,0|3,0,0]=4 4080 B15R1.241 O=CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000139335 [0,0,0,1,0,0|1,0,2]=4 4081 B15R1.241 O=CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200011292268 [0,0,0,1,0,0|1,0,2]=4 4082 B15R1.255 CC(=O)OCCCCS[C@@H]1CCC[C@H]1O 62a_100000033659_200016002552 [0,0,0,1,0,0|3,0,0]=4 4083 B15R1.255 CC(=O)OCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000033659 [0,0,0,1,0,0|3,0,0]=4 4084 B15R1.255 CC(=O)SCCCCS[C@@H]1CCC[C@H]1O 62a_200010402107_200016002552 [0,0,0,1,0,0|3,0,0]=4 4085 B15R1.255 CC(=O)SCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_200010402107 [0,0,0,1,0,0|3,0,0]=4 4086 B15R1.255 CC1CCCC1OCCCCCC(=O)N 34a_100011216460_100009817443 [0,0,0,1,0,0|3,0,0]=4 4087 B15R1.255 CC1CCCC1OCCCCCC(=O)N 7a_100011216460_100009817443 [0,0,0,1,0,0|3,0,0]=4 4088 B15R1.255 NC(=O)CCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100009817443 [0,0,0,1,0,0|3,0,0]=4 4089 B15R1.255 NC(=O)CCCCCOC1COCC1O 34a_100000123541_200000725654 [0,0,0,1,0,0|3,0,0]=4 4090 B15R1.255 NC(=O)CCCCCOC1COCC1O 7a_100000123541_200000725654 [0,0,0,1,0,0|3,0,0]=4 4091 B15R1.255 NC(=O)CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817443 [0,0,0,1,0,0|3,0,0]=4 4092 B15R1.255 NC(=O)CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817443 [0,0,0,1,0,0|3,0,0]=4 4093 B15R1.255 NC(=O)CCCCCSC1COCC1O 62a_100009817443_200000725654 [0,0,0,1,0,0|3,0,0]=4 4094 B15R1.255 NC(=O)CCCCCSC1COCC1O 62a_200000725654_100009817443 [0,0,0,1,0,0|3,0,0]=4 4095 B15R1.255 NC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_100009817443_200016002552 [0,0,0,1,0,0|2,0,0]=3 4096 B15R1.255 NC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009817443 [0,0,0,1,0,0|2,0,0]=3 4097 B15R1.255 O=C([O-])CCCCCOC1COCC1O 7a_100102619762_200000725654 [0,0,0,1,0,0|2,0,1]=4 4098 B15R1.255 OB(O)CCCCCS[C@@H]1CCC[C@H]1O 62a_200009817188_200016002552 [0,0,0,1,0,0|2,0,1]=4 4099 B15R1.255 OB(O)CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_200009817188 [0,0,0,1,0,0|2,0,1]=4 4100 B15R1.489 CC(=O)CCCCNCCC1CCCC1 34a_100000739158_100009817362 [0,0,0,1,0,0|3,0,0]=4 4101 B15R1.489 CC(=O)CCCCNCCC1OCCO1 34a_100000034215_100009817362 [0,0,0,1,0,0|3,0,0]=4 4102 B15R1.489 CC(=O)CCCCOCCC1CCCC1 34a_100000749090_100009817362 [0,0,0,1,0,0|3,0,0]=4 4103 B15R1.489 CC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000735457 [0,0,0,1,0,0|3,0,0]=4 4104 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000735457_100000760354 [0,0,0,1,0,0|3,0,0]=4 4105 B15R1.489 CC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000735457 [0,0,0,1,0,0|3,0,0]=4 4106 B15R1.489 CC(=O)CCCCSCCC1OCCO1 62a_100000735457_100000740749 [0,0,0,1,0,0|3,0,0]=4 4107 B15R1.489 CC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000685027 [0,0,0,1,0,0|3,0,0]=4 4108 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100000759063_100011713738 [0,0,0,1,0,0|3,0,0]=4 4109 B15R1.489 CC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000685027 [0,0,0,1,0,0|3,0,0]=4 4110 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100000759063_100011713738 [0,0,0,1,0,0|3,0,0]=4 4111 B15R1.489 CC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011215641 [0,0,0,1,0,0|3,0,0]=4 4112 B15R1.489 CC(=O)CCCOCCCC1OCCO1 34a_100000759063_100009861162 [0,0,0,1,0,0|3,0,0]=4 4113 B15R1.489 CC(=O)CCCOCCCC1OCCO1 34a_100009871617_100000685027 [0,0,0,1,0,0|3,0,0]=4 4114 B15R1.489 CC(=O)CCCOCCCC1OCCO1 7a_100000759063_100000042513 [0,0,0,1,0,0|3,0,0]=4 4115 B15R1.489 CC(=O)CCCOCCCC1OCCO1 7a_100009871617_100011215641 [0,0,0,1,0,0|3,0,0]=4 4116 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011215641_100011713738 [0,0,0,1,0,0|3,0,0]=4 4117 B15R1.489 CC(=O)CCCSCCCC1CCCC1 62a_100011713738_100011215641 [0,0,0,1,0,0|3,0,0]=4 4118 B15R1.489 CC(=O)CCCSCCCC1OCCO1 62a_100011215641_100000042513 [0,0,0,1,0,0|3,0,0]=4 4119 B15R1.489 CC(=O)CCOCCCCC1OCCO1 34a_100000759926_200009813554 [0,0,0,1,0,0|3,0,0]=4 4120 B15R1.489 CC(=O)CCOCCCCC1OCCO1 7a_100000759926_100000034956 [0,0,0,1,0,0|3,0,0]=4 4121 B15R1.489 CC(=O)CCSCCCCC1OCCO1 62a_100000053229_100000034956 [0,0,0,1,0,0|3,0,0]=4 4122 B15R1.489 CC(=O)NCCCCNCC1CCCO1 2230a_200011368371_100000203698 [0,0,0,1,0,0|3,0,0]=4 4123 B15R1.489 CC(=O)OCCCCCOC1CCCO1 34a_100000085407_100000033007 [0,0,0,1,0,0|3,0,0]=4 4124 B15R1.489 CC(=O)OCCCCNC[C@@H]1CCCO1 34a_100020590478_100000033659 [0,0,0,1,0,0|3,0,0]=4 4125 B15R1.489 CC(=O)OCCCCOCC1CCCO1 34a_100000210270_100000033659 [0,0,0,1,0,0|3,0,0]=4 4126 B15R1.489 CC(=O)OCCCCOCC1CCCO1 7a_100000073216_100000203698 [0,0,0,1,0,0|3,0,0]=4 4127 B15R1.489 CC(=O)OCCCCOCC1CCCO1 7a_100000210270_100000033659 [0,0,0,1,0,0|3,0,0]=4 4128 B15R1.489 CC(=O)OCCCCSCC1CCCO1 62a_100000033659_100000203698 [0,0,0,1,0,0|3,0,0]=4 4129 B15R1.489 CC(=O)OCCCCSCC1CCCO1 62a_100000203698_100000033659 [0,0,0,1,0,0|3,0,0]=4 4130 B15R1.489 CC(=O)SCCCCNC[C@@H]1CCCO1 2230a_100020590478_200010402107 [0,0,0,1,0,0|3,0,0]=4 4131 B15R1.489 CC(=O)SCCCCNC[C@@H]1CCCO1 34a_100020590478_200010402107 [0,0,0,1,0,0|3,0,0]=4 4132 B15R1.489 CC(=O)SCCCCOCC1CCCO1 34a_100000210270_200010402107 [0,0,0,1,0,0|3,0,0]=4 4133 B15R1.489 CC(=O)SCCCCOCC1CCCO1 7a_100000210270_200010402107 [0,0,0,1,0,0|3,0,0]=4 4134 B15R1.489 CC(=O)SCCCCSCC1CCCO1 62a_100000203698_200010402107 [0,0,0,1,0,0|3,0,0]=4 4135 B15R1.489 CC(=O)SCCCCSCC1CCCO1 62a_200010402107_100000203698 [0,0,0,1,0,0|3,0,0]=4 4136 B15R1.489 NC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100009817443 [0,0,0,1,0,0|3,0,0]=4 4137 B15R1.489 NC(=O)CCCCCNCC1CCCC1 34a_100000737975_100009817443 [0,0,0,1,0,0|3,0,0]=4 4138 B15R1.489 NC(=O)CCCCCNCC1OCCO1 2230a_100000036311_100009817443 [0,0,0,1,0,0|3,0,0]=4 4139 B15R1.489 NC(=O)CCCCCNCC1OCCO1 34a_100000036311_100009817443 [0,0,0,1,0,0|3,0,0]=4 4140 B15R1.489 NC(=O)CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009817443 [0,0,0,1,0,0|2,0,0]=3 4141 B15R1.489 NC(=O)CCCCCNC[C@@H]1CCCO1 34a_100020590478_100009817443 [0,0,0,1,0,0|2,0,0]=3 4142 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000123541_100000740388 [0,0,0,1,0,0|3,0,0]=4 4143 B15R1.489 NC(=O)CCCCCOCC1CCCC1 34a_100000742336_100009817443 [0,0,0,1,0,0|3,0,0]=4 4144 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000123541_100000740388 [0,0,0,1,0,0|3,0,0]=4 4145 B15R1.489 NC(=O)CCCCCOCC1CCCC1 7a_100000742336_100009817443 [0,0,0,1,0,0|3,0,0]=4 4146 B15R1.489 NC(=O)CCCCCOCC1CCCO1 34a_100000210270_100009817443 [0,0,0,1,0,0|2,0,0]=3 4147 B15R1.489 NC(=O)CCCCCOCC1CCCO1 7a_100000123541_100000203698 [0,0,0,1,0,0|2,0,0]=3 4148 B15R1.489 NC(=O)CCCCCOCC1CCCO1 7a_100000210270_100009817443 [0,0,0,1,0,0|2,0,0]=3 4149 B15R1.489 NC(=O)CCCCCOCC1COCO1 34a_100011216627_100009817443 [0,0,0,1,0,0|3,0,0]=4 4150 B15R1.489 NC(=O)CCCCCOCC1OCCO1 34a_100000087154_100009817443 [0,0,0,1,0,0|3,0,0]=4 4151 B15R1.489 NC(=O)CCCCCOCC1OCCO1 34a_100000123541_100000755774 [0,0,0,1,0,0|3,0,0]=4 4152 B15R1.489 NC(=O)CCCCCOCC1OCCO1 7a_100000123541_100000755774 [0,0,0,1,0,0|3,0,0]=4 4153 B15R1.489 NC(=O)CCCCCOC[C@H]1CCCN1 34a_100000745186_100009817443 [0,0,0,1,0,0|3,0,0]=4 4154 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100000740388_100009817443 [0,0,0,1,0,0|3,0,0]=4 4155 B15R1.489 NC(=O)CCCCCSCC1CCCC1 62a_100009817443_100000740388 [0,0,0,1,0,0|3,0,0]=4 4156 B15R1.489 NC(=O)CCCCCSCC1CCCO1 62a_100000203698_100009817443 [0,0,0,1,0,0|2,0,0]=3 4157 B15R1.489 NC(=O)CCCCCSCC1CCCO1 62a_100009817443_100000203698 [0,0,0,1,0,0|2,0,0]=3 4158 B15R1.489 NC(=O)CCCCCSCC1OCCO1 62a_100000755774_100009817443 [0,0,0,1,0,0|3,0,0]=4 4159 B15R1.489 NC(=O)CCCCCSCC1OCCO1 62a_100009817443_100000755774 [0,0,0,1,0,0|3,0,0]=4 4160 B15R1.489 NC(=O)CCCCNCCC1CCCC1 34a_100000696515_100000760354 [0,0,0,1,0,0|3,0,0]=4 4161 B15R1.489 NC(=O)CCCCNCCC1OCCO1 34a_100000696515_100000740749 [0,0,0,1,0,0|3,0,0]=4 4162 B15R1.489 NC(=O)CCCCOCCC1CCCC1 34a_100012022536_100000760354 [0,0,0,1,0,0|3,0,0]=4 4163 B15R1.489 NC(=O)CCCCOCCC1CCCC1 7a_100012022536_100000760354 [0,0,0,1,0,0|3,0,0]=4 4164 B15R1.489 NC(=O)CCCCOCCC1OCCO1 34a_100012022536_100000740749 [0,0,0,1,0,0|3,0,0]=4 4165 B15R1.489 NC(=O)CCCCOCCC1OCCO1 7a_100012022536_100000740749 [0,0,0,1,0,0|3,0,0]=4 4166 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000736752_100102525003 [0,0,0,1,0,0|3,0,0]=4 4167 B15R1.489 NC(=O)CCCNCCCC1CCCC1 34a_100000739312_100011713738 [0,0,0,1,0,0|3,0,0]=4 4168 B15R1.489 NC(=O)CCCNCCCC1OCCO1 34a_100000739312_100009861162 [0,0,0,1,0,0|3,0,0]=4 4169 B15R1.489 NC(=O)CCCOCCCC1CCCC1 34a_100011215328_100102525003 [0,0,0,1,0,0|3,0,0]=4 4170 B15R1.489 NC(=O)CCCOCCCC1CCCC1 7a_100011215328_100102525003 [0,0,0,1,0,0|3,0,0]=4 4171 B15R1.489 NC(=O)CCCOCCCC1OCCO1 34a_100009871617_100102525003 [0,0,0,1,0,0|3,0,0]=4 4172 B15R1.489 NC(=O)CCCOCCCC1OCCO1 7a_100009871617_100102525003 [0,0,0,1,0,0|3,0,0]=4 4173 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100011713738_100102525003 [0,0,0,1,0,0|3,0,0]=4 4174 B15R1.489 NC(=O)CCCSCCCC1CCCC1 62a_100102525003_100011713738 [0,0,0,1,0,0|3,0,0]=4 4175 B15R1.489 NC(=O)CCCSCCCC1OCCO1 62a_100102525003_100000042513 [0,0,0,1,0,0|3,0,0]=4 4176 B15R1.489 NC(=O)CCOCCCCC1OCCO1 34a_100000757172_200009813554 [0,0,0,1,0,0|3,0,0]=4 4177 B15R1.489 NC(=O)CCOCCCCC1OCCO1 7a_100000757172_100000034956 [0,0,0,1,0,0|3,0,0]=4 4178 B15R1.489 NC(=O)CCSCCCCC1OCCO1 62a_100000744528_100000034956 [0,0,0,1,0,0|3,0,0]=4 4179 B15R1.489 NC(=O)COCCCCOC1CCCO1 34a_100011018183_100000187820 [0,0,0,1,0,0|3,0,0]=4 4180 B15R1.489 NC(=O)COCCCCOC1CCCO1 7a_100011018183_100000187820 [0,0,0,1,0,0|3,0,0]=4 4181 B15R1.489 O=C(O)COCCNCCC1CCCC1 269956a_100000700818_100000760354 [0,0,0,1,0,0|3,0,0]=4 4182 B15R1.489 O=C(O)COCCNCCC1OCCO1 269956a_100000700818_100000740749 [0,0,0,1,0,0|3,0,0]=4 4183 B15R1.489 O=C(O)CONCCCCC1OCCO1 269956a_100000106656_100000034956 [0,0,0,1,0,0|3,0,0]=4 4184 B15R1.489 O=C([O-])CCCCCOCC1CCCC1 7a_100102619762_100000740388 [0,0,0,1,0,0|2,0,1]=4 4185 B15R1.489 O=C([O-])CCCCCOCC1CCCO1 7a_100102619762_100000203698 [0,0,0,1,0,0|1,0,1]=3 4186 B15R1.489 O=C([O-])CCCCCOCC1OCCO1 7a_100102619762_100000755774 [0,0,0,1,0,0|2,0,1]=4 4187 B15R1.489 O=C([O-])COCCCCOC1CCCO1 34a_100011018183_100020667443 [0,0,0,1,0,0|2,0,1]=4 4188 B15R1.489 OB(O)CCCCCCOC1CCCO1 34a_100000085407_100009817187 [0,0,0,1,0,0|2,0,1]=4 4189 B15R1.489 OB(O)CCCCCNC[C@@H]1CCCO1 2230a_100020590478_200009817188 [0,0,0,1,0,0|2,0,1]=4 4190 B15R1.489 OB(O)CCCCCNC[C@@H]1CCCO1 34a_100020590478_200009817188 [0,0,0,1,0,0|2,0,1]=4 4191 B15R1.489 OB(O)CCCCCOCC1CCCO1 34a_100000210270_200009817188 [0,0,0,1,0,0|2,0,1]=4 4192 B15R1.489 OB(O)CCCCCOCC1CCCO1 7a_100000210270_200009817188 [0,0,0,1,0,0|2,0,1]=4 4193 B15R1.489 OB(O)CCCCCSCC1CCCO1 62a_100000203698_200009817188 [0,0,0,1,0,0|2,0,1]=4 4194 B15R1.489 OB(O)CCCCCSCC1CCCO1 62a_200009817188_100000203698 [0,0,0,1,0,0|2,0,1]=4 4195 B15R1.504 CC(=O)CCCCNCC1CCCCC1 34a_100000210473_100009817362 [0,0,0,1,0,0|3,0,0]=4 4196 B15R1.504 CC(=O)CCCCNCC1CCCCO1 34a_100000174945_100009817362 [0,0,0,1,0,0|2,0,0]=3 4197 B15R1.504 CC(=O)CCCCNC[C@H]1COCCO1 34a_100010981119_100009817362 [0,0,0,1,0,0|3,0,0]=4 4198 B15R1.504 CC(=O)CCCCOCC1CCCCC1 34a_100000212181_100009817362 [0,0,0,1,0,0|3,0,0]=4 4199 B15R1.504 CC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000735457 [0,0,0,1,0,0|3,0,0]=4 4200 B15R1.504 CC(=O)CCCCOCC1CCCCN1 34a_100000210821_100009817362 [0,0,0,1,0,0|3,0,0]=4 4201 B15R1.504 CC(=O)CCCCOCC1CCCCO1 34a_100000211370_100009817362 [0,0,0,1,0,0|2,0,0]=3 4202 B15R1.504 CC(=O)CCCCOCC1CCCCO1 7a_100000211370_100000735457 [0,0,0,1,0,0|2,0,0]=3 4203 B15R1.504 CC(=O)CCCCOC[C@@H]1CNCCO1 34a_100015189573_100009817362 [0,0,0,1,0,0|3,0,0]=4 4204 B15R1.504 CC(=O)CCCCOC[C@H]1COCCO1 34a_100009875890_100009817362 [0,0,0,1,0,0|3,0,0]=4 4205 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000735457 [0,0,0,1,0,0|3,0,0]=4 4206 B15R1.504 CC(=O)CCCCSCC1CCCCC1 62a_100000735457_100000211423 [0,0,0,1,0,0|3,0,0]=4 4207 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000211543_100000735457 [0,0,0,1,0,0|2,0,0]=3 4208 B15R1.504 CC(=O)CCCCSCC1CCCCO1 62a_100000735457_100000211543 [0,0,0,1,0,0|2,0,0]=3 4209 B15R1.504 CC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000685027 [0,0,0,1,0,0|3,0,0]=4 4210 B15R1.504 CC(=O)CCCNCCC1CCCCO1 34a_100015183643_100000685027 [0,0,0,1,0,0|2,0,0]=3 4211 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100000759063_100011209188 [0,0,0,1,0,0|3,0,0]=4 4212 B15R1.504 CC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000685027 [0,0,0,1,0,0|3,0,0]=4 4213 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100000759063_100011273959 [0,0,0,1,0,0|3,0,0]=4 4214 B15R1.504 CC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011215641 [0,0,0,1,0,0|3,0,0]=4 4215 B15R1.504 CC(=O)CCCOCCC1CCCCN1 34a_100000211664_100000685027 [0,0,0,1,0,0|3,0,0]=4 4216 B15R1.504 CC(=O)CCCOCCC1OCCCO1 34a_100000759063_100000764188 [0,0,0,1,0,0|3,0,0]=4 4217 B15R1.504 CC(=O)CCCOCCC1OCCCO1 7a_100000759063_100000764188 [0,0,0,1,0,0|3,0,0]=4 4218 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100011215641_100012355289 [0,0,0,1,0,0|3,0,0]=4 4219 B15R1.504 CC(=O)CCCSCCC1CCCCC1 62a_100012355289_100011215641 [0,0,0,1,0,0|3,0,0]=4 4220 B15R1.504 CC(=O)CCCSCCC1OCCCO1 62a_100000764188_100011215641 [0,0,0,1,0,0|3,0,0]=4 4221 B15R1.504 CC(=O)CCCSCCC1OCCCO1 62a_100011215641_100000764188 [0,0,0,1,0,0|3,0,0]=4 4222 B15R1.504 CC(=O)CCOCCCC1CCCCC1 34a_100000759926_100011713725 [0,0,0,1,0,0|3,0,0]=4 4223 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000053229 [0,0,0,1,0,0|3,0,0]=4 4224 B15R1.504 CC(=O)CCOCCCC1CCCCC1 7a_100000759926_100011713725 [0,0,0,1,0,0|3,0,0]=4 4225 B15R1.504 CC(=O)CCOCCOC1CCCCO1 34a_100000759926_100000744793 [0,0,0,1,0,0|3,0,0]=4 4226 B15R1.504 CC(=O)CCOCCOC1CCCCO1 7a_100000034223_100000053229 [0,0,0,1,0,0|3,0,0]=4 4227 B15R1.504 CC(=O)CCOCCOC1CCCCO1 7a_100000759926_100000744793 [0,0,0,1,0,0|3,0,0]=4 4228 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100000053229_100011713725 [0,0,0,1,0,0|3,0,0]=4 4229 B15R1.504 CC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000053229 [0,0,0,1,0,0|3,0,0]=4 4230 B15R1.504 CC(=O)CCSCCOC1CCCCO1 62a_100000053229_100000744793 [0,0,0,1,0,0|3,0,0]=4 4231 B15R1.504 CC(=O)CCSCCOC1CCCCO1 62a_100000744793_100000053229 [0,0,0,1,0,0|3,0,0]=4 4232 B15R1.504 CC(=O)COCCCOC1CCCCO1 34a_100000211253_100000700653 [0,0,0,1,0,0|3,0,0]=4 4233 B15R1.504 CC(=O)NCCCNCC1CCCCO1 34a_100000736810_100000211543 [0,0,0,1,0,0|3,0,0]=4 4234 B15R1.504 CC(=O)NCCCOCC1CCCCO1 34a_100000752032_100000211543 [0,0,0,1,0,0|3,0,0]=4 4235 B15R1.504 CC(=O)NCCNCCC1CCCCO1 2230a_100015183643_100000189650 [0,0,0,1,0,0|3,0,0]=4 4236 B15R1.504 CC(=O)OCCCCOC1CCCCO1 34a_100000033831_100000033659 [0,0,0,1,0,0|3,0,0]=4 4237 B15R1.504 CC(=O)OCCCNCC1CCCCO1 34a_100000174945_100000042594 [0,0,0,1,0,0|3,0,0]=4 4238 B15R1.504 CC(=O)OCCCOCC1CCCCO1 34a_100000211370_100000042594 [0,0,0,1,0,0|3,0,0]=4 4239 B15R1.504 CC(=O)OCCCOCC1CCCCO1 7a_100000211370_100000042594 [0,0,0,1,0,0|3,0,0]=4 4240 B15R1.504 CC(=O)OCCCSCC1CCCCO1 62a_100000042594_100000211543 [0,0,0,1,0,0|3,0,0]=4 4241 B15R1.504 CC(=O)OCCCSCC1CCCCO1 62a_100000211543_100000042594 [0,0,0,1,0,0|3,0,0]=4 4242 B15R1.504 CC(=O)OCCNCCC1CCCCO1 34a_100015183643_100009814007 [0,0,0,1,0,0|3,0,0]=4 4243 B15R1.504 CC(=O)SCCCCOC1CCCCO1 34a_100000033831_200010402107 [0,0,0,1,0,0|3,0,0]=4 4244 B15R1.504 CC(=O)SCCCNCC1CCCCO1 2230a_100000174945_100000038929 [0,0,0,1,0,0|3,0,0]=4 4245 B15R1.504 CC(=O)SCCCNCC1CCCCO1 34a_100000174945_100000038929 [0,0,0,1,0,0|3,0,0]=4 4246 B15R1.504 CC(=O)SCCCOCC1CCCCO1 34a_100000211370_100000038929 [0,0,0,1,0,0|3,0,0]=4 4247 B15R1.504 CC(=O)SCCCOCC1CCCCO1 7a_100000211370_100000038929 [0,0,0,1,0,0|3,0,0]=4 4248 B15R1.504 CC(=O)SCCCSCC1CCCCO1 62a_100000038929_100000211543 [0,0,0,1,0,0|3,0,0]=4 4249 B15R1.504 CC(=O)SCCCSCC1CCCCO1 62a_100000211543_100000038929 [0,0,0,1,0,0|3,0,0]=4 4250 B15R1.504 CC(O)CCCNCCC1CCCCO1 2230a_100015183643_200000718107 [0,0,0,1,0,0|2,0,1]=4 4251 B15R1.504 CC(O)CCCNCCC1CCCCO1 34a_100015183643_200000718107 [0,0,0,1,0,0|2,0,1]=4 4252 B15R1.504 NC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100009817443 [0,0,0,1,0,0|3,0,0]=4 4253 B15R1.504 NC(=O)CCCCCNC1CCCCC1 34a_100000182618_100009817443 [0,0,0,1,0,0|3,0,0]=4 4254 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000123541_100000210327 [0,0,0,1,0,0|3,0,0]=4 4255 B15R1.504 NC(=O)CCCCCOC1CCCCC1 34a_100000210231_100009817443 [0,0,0,1,0,0|3,0,0]=4 4256 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000123541_100000210327 [0,0,0,1,0,0|3,0,0]=4 4257 B15R1.504 NC(=O)CCCCCOC1CCCCC1 7a_100000210231_100009817443 [0,0,0,1,0,0|3,0,0]=4 4258 B15R1.504 NC(=O)CCCCCOC1CCCCO1 34a_100000033831_100009817443 [0,0,0,1,0,0|2,0,0]=3 4259 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100000210327_100009817443 [0,0,0,1,0,0|3,0,0]=4 4260 B15R1.504 NC(=O)CCCCCSC1CCCCC1 62a_100009817443_100000210327 [0,0,0,1,0,0|3,0,0]=4 4261 B15R1.504 NC(=O)CCCCNCC1CCCCC1 269862a_100000696515_100000211278 [0,0,0,1,0,0|3,0,0]=4 4262 B15R1.504 NC(=O)CCCCNCC1CCCCC1 34a_100000696515_100000211423 [0,0,0,1,0,0|3,0,0]=4 4263 B15R1.504 NC(=O)CCCCNCC1CCCCO1 34a_100000696515_100000211543 [0,0,0,1,0,0|2,0,0]=3 4264 B15R1.504 NC(=O)CCCCOCC1CCCCC1 34a_100012022536_100000211423 [0,0,0,1,0,0|3,0,0]=4 4265 B15R1.504 NC(=O)CCCCOCC1CCCCC1 7a_100012022536_100000211423 [0,0,0,1,0,0|3,0,0]=4 4266 B15R1.504 NC(=O)CCCCOCC1CCCCO1 34a_100012022536_100000211543 [0,0,0,1,0,0|2,0,0]=3 4267 B15R1.504 NC(=O)CCCCOCC1CCCCO1 7a_100012022536_100000211543 [0,0,0,1,0,0|2,0,0]=3 4268 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000738074_100102525003 [0,0,0,1,0,0|3,0,0]=4 4269 B15R1.504 NC(=O)CCCNCCC1CCCCC1 34a_100000739312_100011209188 [0,0,0,1,0,0|3,0,0]=4 4270 B15R1.504 NC(=O)CCCNCCC1CCCCO1 34a_100015183643_100102525003 [0,0,0,1,0,0|2,0,0]=3 4271 B15R1.504 NC(=O)CCCNCCC1OCCCO1 34a_100000739312_100000764188 [0,0,0,1,0,0|3,0,0]=4 4272 B15R1.504 NC(=O)CCCOCCC1CCCCC1 34a_100011217863_100102525003 [0,0,0,1,0,0|3,0,0]=4 4273 B15R1.504 NC(=O)CCCOCCC1CCCCC1 7a_100011217863_100102525003 [0,0,0,1,0,0|3,0,0]=4 4274 B15R1.504 NC(=O)CCCOCCC1CCCCN1 34a_100000211664_100102525003 [0,0,0,1,0,0|3,0,0]=4 4275 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100012355289_100102525003 [0,0,0,1,0,0|3,0,0]=4 4276 B15R1.504 NC(=O)CCCSCCC1CCCCC1 62a_100102525003_100012355289 [0,0,0,1,0,0|3,0,0]=4 4277 B15R1.504 NC(=O)CCCSCCC1OCCCO1 62a_100000764188_100102525003 [0,0,0,1,0,0|3,0,0]=4 4278 B15R1.504 NC(=O)CCCSCCC1OCCCO1 62a_100102525003_100000764188 [0,0,0,1,0,0|3,0,0]=4 4279 B15R1.504 NC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000744528 [0,0,0,1,0,0|3,0,0]=4 4280 B15R1.504 NC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000731001 [0,0,0,1,0,0|3,0,0]=4 4281 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000731001 [0,0,0,1,0,0|3,0,0]=4 4282 B15R1.504 NC(=O)CCOCCCC1CCCCC1 34a_100000757172_100011713725 [0,0,0,1,0,0|3,0,0]=4 4283 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000744528 [0,0,0,1,0,0|3,0,0]=4 4284 B15R1.504 NC(=O)CCOCCCC1CCCCC1 7a_100000757172_100011713725 [0,0,0,1,0,0|3,0,0]=4 4285 B15R1.504 NC(=O)CCOCCCC1CCCCN1 34a_100011934581_100000731001 [0,0,0,1,0,0|3,0,0]=4 4286 B15R1.504 NC(=O)CCOCCOC1CCCCO1 34a_100000034223_100000731001 [0,0,0,1,0,0|3,0,0]=4 4287 B15R1.504 NC(=O)CCOCCOC1CCCCO1 34a_100000757172_100000744793 [0,0,0,1,0,0|3,0,0]=4 4288 B15R1.504 NC(=O)CCOCCOC1CCCCO1 7a_100000034223_100000744528 [0,0,0,1,0,0|3,0,0]=4 4289 B15R1.504 NC(=O)CCOCCOC1CCCCO1 7a_100000757172_100000744793 [0,0,0,1,0,0|3,0,0]=4 4290 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100000744528_100011713725 [0,0,0,1,0,0|3,0,0]=4 4291 B15R1.504 NC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000744528 [0,0,0,1,0,0|3,0,0]=4 4292 B15R1.504 NC(=O)CCSCCOC1CCCCO1 62a_100000744528_100000744793 [0,0,0,1,0,0|3,0,0]=4 4293 B15R1.504 NC(=O)CCSCCOC1CCCCO1 62a_100000744793_100000744528 [0,0,0,1,0,0|3,0,0]=4 4294 B15R1.504 NC(=O)CNCCCOC1CCCCO1 2230a_100000711301_100000700653 [0,0,0,1,0,0|3,0,0]=4 4295 B15R1.504 NC(=O)COCCCCC1CCCCC1 34a_100011215267_100000187820 [0,0,0,1,0,0|3,0,0]=4 4296 B15R1.504 NC(=O)COCCCCC1CCCCC1 7a_100011215267_100000187820 [0,0,0,1,0,0|3,0,0]=4 4297 B15R1.504 NC(=O)COCCNCC1CCCCO1 2230a_100000174945_100000076697 [0,0,0,1,0,0|3,0,0]=4 4298 B15R1.504 NC(=O)COCCNCC1CCCCO1 34a_100000174945_100000076697 [0,0,0,1,0,0|3,0,0]=4 4299 B15R1.504 NC(=O)COCCOCC1CCCCO1 34a_100000211370_100000076697 [0,0,0,1,0,0|3,0,0]=4 4300 B15R1.504 NC(=O)COCCOCC1CCCCO1 7a_100000211370_100000076697 [0,0,0,1,0,0|3,0,0]=4 4301 B15R1.504 NC(=O)COCCSCC1CCCCO1 62a_100000076697_100000211543 [0,0,0,1,0,0|3,0,0]=4 4302 B15R1.504 NC(=O)COCCSCC1CCCCO1 62a_100000211543_100000076697 [0,0,0,1,0,0|3,0,0]=4 4303 B15R1.504 NC(=O)CSCCCOC1CCCCO1 62a_100000700653_100000747473 [0,0,0,1,0,0|3,0,0]=4 4304 B15R1.504 NC(=O)CSCCCOC1CCCCO1 62a_100000747473_100000700653 [0,0,0,1,0,0|3,0,0]=4 4305 B15R1.504 NC(=O)NCCNCCC1CCCCO1 2230a_100015183643_200000034859 [0,0,0,1,0,0|3,0,0]=4 4306 B15R1.504 NC(=O)OCCNCCC1CCCCO1 34a_100015183643_200011214921 [0,0,0,1,0,0|3,0,0]=4 4307 B15R1.504 O=C(O)CNCCCOC1CCCCO1 269956a_100016091260_100000700653 [0,0,0,1,0,0|2,0,0]=3 4308 B15R1.504 O=C(O)COCCNCC1CCCCC1 269956a_100000700818_100000211423 [0,0,0,1,0,0|3,0,0]=4 4309 B15R1.504 O=C(O)COCCNCC1CCCCO1 269956a_100000700818_100000211543 [0,0,0,1,0,0|2,0,0]=3 4310 B15R1.504 O=C(O)CONCCCC1CCCCC1 269956a_100000106656_100011713725 [0,0,0,1,0,0|3,0,0]=4 4311 B15R1.504 O=C(O)CONCCOC1CCCCO1 269956a_100000106656_100000744793 [0,0,0,1,0,0|3,0,0]=4 4312 B15R1.504 O=C([O-])CCCCCOC1CCCCC1 7a_100102619762_100000210327 [0,0,0,1,0,0|2,0,1]=4 4313 B15R1.504 O=C([O-])COCCCCC1CCCCC1 34a_100011215267_100020667443 [0,0,0,1,0,0|2,0,1]=4 4314 B15R1.504 O=C([O-])CSCCCOC1CCCCO1 62a_100000700653_100020667443 [0,0,0,1,0,0|2,0,1]=4 4315 B15R1.504 O=C([O-])CSCCCOC1CCCCO1 62a_100020667443_100000700653 [0,0,0,1,0,0|2,0,1]=4 4316 B15R1.504 O=[N+]([O-])CCCCOCC1CCCCO1 34a_200015379883_100000211543 [0,0,0,1,0,0|2,0,1]=4 4317 B15R1.504 O=[N+]([O-])CCCCOCC1CCCCO1 7a_200015379883_100000211543 [0,0,0,1,0,0|2,0,1]=4 4318 B15R1.504 OB(O)CCCCCOC1CCCCO1 34a_100000033831_200009817188 [0,0,0,1,0,0|2,0,1]=4 4319 B15R1.504 OB(O)CCCCNCC1CCCCO1 2230a_100000174945_200009817182 [0,0,0,1,0,0|2,0,1]=4 4320 B15R1.504 OB(O)CCCCNCC1CCCCO1 34a_100000174945_200009817182 [0,0,0,1,0,0|2,0,1]=4 4321 B15R1.504 OB(O)CCCCOCC1CCCCO1 34a_100000211370_200009817182 [0,0,0,1,0,0|2,0,1]=4 4322 B15R1.504 OB(O)CCCCOCC1CCCCO1 7a_100000211370_200009817182 [0,0,0,1,0,0|2,0,1]=4 4323 B15R1.504 OB(O)CCCCSCC1CCCCO1 62a_100000211543_200009817182 [0,0,0,1,0,0|2,0,1]=4 4324 B15R1.504 OB(O)CCCCSCC1CCCCO1 62a_200009817182_100000211543 [0,0,0,1,0,0|2,0,1]=4 4325 B15R1.589 CC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100011215641 [0,0,0,1,0,0|2,0,0]=3 4326 B15R1.589 CC(=O)CCCN1CCCCC1CCO 34a_100000211664_100000685027 [0,0,0,1,0,0|2,0,0]=3 4327 B15R1.589 CC(=O)NCCC1CCCCN1CCO 2230a_200011221479_100000211926 [0,0,0,1,0,0|3,0,0]=4 4328 B15R1.589 CC(=O)NCCC1CCCCN1CCO 269982a_200011221479_100000211926 [0,0,0,1,0,0|3,0,0]=4 4329 B15R1.589 CC(=O)NCCC1CCCCN1CCO 34a_200011221479_100000211926 [0,0,0,1,0,0|3,0,0]=4 4330 B15R1.589 CC(=O)NCCN1CCCCC1CCO 2230a_100000211664_100000189650 [0,0,0,1,0,0|3,0,0]=4 4331 B15R1.589 CC(=O)NCCN1CCCCC1CCO 269982a_100000211664_100000189650 [0,0,0,1,0,0|3,0,0]=4 4332 B15R1.589 CC(=O)OCCN1CCCCC1CCO 269982a_100000211664_100009814007 [0,0,0,1,0,0|3,0,0]=4 4333 B15R1.589 CC(=O)OCCN1CCCCC1CCO 34a_100000211664_100009814007 [0,0,0,1,0,0|3,0,0]=4 4334 B15R1.589 CC(O)CCCN1CCCCC1CCO 2230a_100000211664_200000718107 [0,0,0,1,0,0|2,0,1]=4 4335 B15R1.589 CC(O)CCCN1CCCCC1CCO 269982a_100000211664_200000718107 [0,0,0,1,0,0|2,0,1]=4 4336 B15R1.589 CC(O)CCCN1CCCCC1CCO 34a_100000211664_200000718107 [0,0,0,1,0,0|2,0,1]=4 4337 B15R1.589 CCCC1CCCCC1NCCC(=O)N 269862a_100000740010_100011218038 [0,0,0,1,0,0|3,0,0]=4 4338 B15R1.589 CCCC1CCCCC1OCCC(=O)C 7a_100011217265_100000053229 [0,0,0,1,0,0|3,0,0]=4 4339 B15R1.589 CCCC1CCCCC1OCCC(=O)N 34a_100011217265_100000731001 [0,0,0,1,0,0|3,0,0]=4 4340 B15R1.589 CCCC1CCCCC1OCCC(=O)N 7a_100011217265_100000744528 [0,0,0,1,0,0|3,0,0]=4 4341 B15R1.589 CCCC1CCCCN1CCCC(=O)C 269982a_100000701414_100011215641 [0,0,0,1,0,0|3,0,0]=4 4342 B15R1.589 CCCC1CCCCN1CCCC(=O)C 34a_100000701414_100000685027 [0,0,0,1,0,0|3,0,0]=4 4343 B15R1.589 CCCC1CCCCN1CCCC(=O)N 269982a_100000701414_100102525003 [0,0,0,1,0,0|3,0,0]=4 4344 B15R1.589 CCCC1CCCCN1CCCC(=O)N 34a_100000701414_100102525003 [0,0,0,1,0,0|3,0,0]=4 4345 B15R1.589 NC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100102525003 [0,0,0,1,0,0|2,0,0]=3 4346 B15R1.589 NC(=O)CCCN1CCCCC1CCO 34a_100000211664_100102525003 [0,0,0,1,0,0|2,0,0]=3 4347 B15R1.589 NC(=O)NCCN1CCCCC1CCO 2230a_100000211664_200000034859 [0,0,0,1,0,0|3,0,0]=4 4348 B15R1.589 NC(=O)NCCN1CCCCC1CCO 269982a_100000211664_200000034859 [0,0,0,1,0,0|3,0,0]=4 4349 B15R1.589 NC(=O)OCCN1CCCCC1CCO 269982a_100000211664_200011214921 [0,0,0,1,0,0|3,0,0]=4 4350 B15R1.589 NC(=O)OCCN1CCCCC1CCO 34a_100000211664_200011214921 [0,0,0,1,0,0|3,0,0]=4 4351 B15R1.604 CCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000723119 [0,0,0,1,0,0|3,0,0]=4 4352 B15R1.1051 C#CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000688953 [0,0,0,1,0,0|2,0,1]=4 4353 B15R1.1051 C=C(C)CCN1CCCCC1CCCO 2230a_100011934581_100000730704 [0,0,0,1,0,0|3,0,0]=4 4354 B15R1.1051 C=C(C)CCN1CCCCC1CCCO 269982a_100011934581_100000730704 [0,0,0,1,0,0|3,0,0]=4 4355 B15R1.1051 C=C(C)CCN1CCCCC1CCCO 34a_100011934581_100000730704 [0,0,0,1,0,0|3,0,0]=4 4356 B15R1.1051 C=CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000754431 [0,0,0,1,0,0|2,0,1]=4 4357 B15R1.1051 CC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000053229 [0,0,0,1,0,0|2,0,0]=3 4358 B15R1.1051 CC(=O)OCN1CCCCC1CCCO 269982a_100011934581_100000076356 [0,0,0,1,0,0|3,0,0]=4 4359 B15R1.1051 CC(=O)OCN1CCCCC1CCCO 34a_100011934581_100009813279 [0,0,0,1,0,0|3,0,0]=4 4360 B15R1.1051 CC(O)CCN1CCCCC1CCCO 2230a_100011934581_100012276601 [0,0,0,1,0,0|2,0,1]=4 4361 B15R1.1051 CC(O)CCN1CCCCC1CCCO 269982a_100011934581_100012276601 [0,0,0,1,0,0|2,0,1]=4 4362 B15R1.1051 CC(O)CCN1CCCCC1CCCO 34a_100011934581_100012276601 [0,0,0,1,0,0|2,0,1]=4 4363 B15R1.1051 CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210211 [0,0,0,1,0,0|2,0,0]=3 4364 B15R1.1051 CCOCN1CCCCC1CCC(=O)O 269956a_100000694054_100000739092 [0,0,0,1,0,0|3,0,0]=4 4365 B15R1.1051 COCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000233755 [0,0,0,1,0,0|3,0,0]=4 4366 B15R1.1051 CSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000212216 [0,0,0,1,0,0|3,0,0]=4 4367 B15R1.1051 N#CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215226 [0,0,0,1,0,0|2,0,1]=4 4368 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 2230a_100011934581_100000744528 [0,0,0,1,0,0|2,0,0]=3 4369 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000744528 [0,0,0,1,0,0|2,0,0]=3 4370 B15R1.1051 NC(=O)CCN1CCCCC1CCCO 34a_100011934581_100000731001 [0,0,0,1,0,0|2,0,0]=3 4371 B15R1.1051 O=C(O)CCC1CCCCN1CCCF 269956a_100000694054_100011934791 [0,0,0,1,0,0|2,0,0]=3 4372 B15R1.1051 O=C(O)CCC1CCCCN1CCCO 269956a_100000694054_100011215043 [0,0,0,1,0,0|1,0,0]=2 4373 B15R1.1068 CCCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000750825 [0,0,0,1,0,0|3,0,0]=4 4374 B15R1.1168 C=C1CC(C1)CNCCCCCCCO 2230a_100102567296_100000760002 [0,0,0,1,0,0|3,0,0]=4 4375 B15R1.1168 C=C1CC(C1)CNCCCCCCCO 34a_100102567296_100000760002 [0,0,0,1,0,0|3,0,0]=4 4376 B15R1.1168 C=C1CC(C1)COCCCCCCCO 34a_100011011225_100000760002 [0,0,0,1,0,0|3,0,0]=4 4377 B15R1.1168 C=C1CC(C1)NCCCCCCCCO 2230a_100132301982_100000033203 [0,0,0,1,0,0|3,0,0]=4 4378 B15R1.1168 CCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210670 [0,0,0,1,0,0|3,0,0]=4 4379 B15R1.1168 CCCCCCCCNCC1CC(=O)C1 2230a_100000229939_100009874392 [0,0,0,1,0,0|3,0,0]=4 4380 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210759 [0,0,0,1,0,0|3,0,0]=4 4381 B15R1.1168 CCCCCCCCOCC1CC(=O)C1 7a_100000210232_100009874392 [0,0,0,1,0,0|3,0,0]=4 4382 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100000210759_100009874392 [0,0,0,1,0,0|3,0,0]=4 4383 B15R1.1168 CCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210317 [0,0,0,1,0,0|3,0,0]=4 4384 B15R1.1168 O=C1CC(C1)CNCCCCCCCO 2230a_100011996573_100009874392 [0,0,0,1,0,0|2,0,0]=3 4385 B15R1.1168 O=C1CC(C1)CNCCCOCCCO 2230a_100011310245_100009874392 [0,0,0,1,0,0|3,0,0]=4 4386 B15R1.1168 O=C1CC(C1)COCCCCCCCBr 7a_100000760002_100009874392 [0,0,0,1,0,0|3,0,0]=4 4387 B15R1.1168 O=C1CC(C1)COCCCCCCCO 34a_100000101936_100000760002 [0,0,0,1,0,0|2,0,0]=3 4388 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100000760002_100009874392 [0,0,0,1,0,0|2,0,0]=3 4389 B15R1.1168 O=C1CC(C1)CSCCCCCCCO 62a_100009874392_100000760002 [0,0,0,1,0,0|2,0,0]=3 4390 B15R1.1168 O=C1CC(C1)SCCCCCCCCO 62a_100009894365_100000033203 [0,0,0,1,0,0|2,0,0]=3 4391 B15R1.1168 OCCCCCCCCCN1CC(C1)O 269982a_100000749847_100009813782 [0,0,0,1,0,0|2,0,1]=4 4392 B15R1.1168 OCCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000033203 [0,0,0,1,0,0|2,0,1]=4 4393 B15R1.1168 OCCCCCCCNCC1CC(C1)O 2230a_100016992100_100000760002 [0,0,0,1,0,0|2,0,1]=4 4394 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210326 [0,0,0,1,0,0|3,0,0]=4 4395 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210215 [0,0,0,1,0,0|3,0,0]=4 4396 B15R1.1188 CCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000718602 [0,0,0,1,0,0|3,0,0]=4 4397 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 2230a_100015184752_100000729493 [0,0,0,1,0,0|3,0,0]=4 4398 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 269982a_100015184752_100000729493 [0,0,0,1,0,0|3,0,0]=4 4399 B15R1.1188 NC(=O)CC1CCCCN1CCCCF 34a_100015184752_100000729493 [0,0,0,1,0,0|3,0,0]=4 4400 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 2230a_100015184752_100000210776 [0,0,0,1,0,0|2,0,0]=3 4401 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 269982a_100015184752_100000210776 [0,0,0,1,0,0|2,0,0]=3 4402 B15R1.1188 NC(=O)CC1CCCCN1CCCCO 34a_100015184752_100011216708 [0,0,0,1,0,0|2,0,0]=3 4403 B15R1.1949 O=C1CN(CCCN1)CCCCCCO 2230a_100015190381_100000766143 [0,0,0,1,0,0|3,0,0]=4 4404 B15R1.1949 OCCCCCCN1CCCCC(C1)O 2230a_100025706797_100000766143 [0,0,0,1,0,0|2,0,1]=4 4405 B15R1.1949 OCCCCCCN1CCCCC(C1)O 269982a_100025706797_100000766143 [0,0,0,1,0,0|2,0,1]=4 4406 B15R1.3525 C#CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012094781 [0,0,0,1,0,0|2,0,1]=4 4407 B15R1.3525 C=CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000700193 [0,0,0,1,0,0|2,0,1]=4 4408 B15R1.3525 CC(=O)N1CCC[C@@H]1COCCCCO 34a_100012242843_100011216708 [0,0,0,1,0,0|3,0,0]=4 4409 B15R1.3525 CC(=O)N1CCC[C@@H]1COCCCCO 7a_100012242843_100000210776 [0,0,0,1,0,0|3,0,0]=4 4410 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210681 [0,0,0,1,0,0|3,0,0]=4 4411 B15R1.3525 CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210614 [0,0,0,1,0,0|2,0,0]=3 4412 B15R1.3525 CCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210614 [0,0,0,1,0,0|3,0,0]=4 4413 B15R1.3525 CCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210614 [0,0,0,1,0,0|3,0,0]=4 4414 B15R1.3525 CCCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000743108 [0,0,0,1,0,0|3,0,0]=4 4415 B15R1.3525 N#CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009813376 [0,0,0,1,0,0|2,0,1]=4 4416 B15R1.3525 NC(=O)N1CCC[C@H]1COCCCCO 34a_100012022907_100011216708 [0,0,0,1,0,0|3,0,0]=4 4417 B15R1.3525 NC(=O)N1CCC[C@H]1COCCCCO 7a_100012022907_100000210776 [0,0,0,1,0,0|3,0,0]=4 4418 B15R1.3525 NC(=O)[C@@H]1CCCN1CCCCCCF 2230a_100000003125_100015922095 [0,0,0,1,0,0|3,0,0]=4 4419 B15R1.3525 NC(=O)[C@@H]1CCCN1CCCCCCO 2230a_100000003125_100000766143 [0,0,0,1,0,0|2,0,0]=3 4420 B15R1.3525 O=C(O)C1SCCN1CCCCCCF 269956a_100000035718_100015922095 [0,0,0,1,0,0|3,0,0]=4 4421 B15R1.3525 O=C(O)C1SCCN1CCCCCCO 269956a_100000035718_100000766143 [0,0,0,1,0,0|2,0,0]=3 4422 B15R1.3525 O=C(O)[C@@H]1C=CCN1CCCCCCO 269956a_100000057196_100000766143 [0,0,0,1,0,0|1,0,2]=4 4423 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCF 269956a_100000743916_100015922095 [0,0,0,1,0,0|2,0,0]=3 4424 B15R1.3525 O=C(O)[C@@H]1CCCN1CCCCCCO 269956a_100000743916_100000766143 [0,0,0,1,0,0|1,0,0]=2 4425 B15R1.3525 O=C(O)[C@@H]1CSCN1CCCCCCF 269956a_100000743924_100015922095 [0,0,0,1,0,0|3,0,0]=4 4426 B15R1.3525 O=C(O)[C@@H]1CSCN1CCCCCCO 269956a_100000743924_100000766143 [0,0,0,1,0,0|2,0,0]=3 4427 B15R1.3525 O=CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000139337 [0,0,0,1,0,0|1,0,2]=4 4428 B15R1.3745 C#CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215417 [0,0,0,1,0,0|2,0,1]=4 4429 B15R1.3745 C=CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011713584 [0,0,0,1,0,0|2,0,1]=4 4430 B15R1.3745 CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210326 [0,0,0,1,0,0|2,0,0]=3 4431 B15R1.3745 CCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210147 [0,0,0,1,0,0|3,0,0]=4 4432 B15R1.3745 CCSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000757381 [0,0,0,1,0,0|3,0,0]=4 4433 B15R1.3745 COCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000740836 [0,0,0,1,0,0|3,0,0]=4 4434 B15R1.3745 N#CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000687738 [0,0,0,1,0,0|2,0,1]=4 4435 B15R1.3745 O=C(O)C1CCCCCN1CC#CCO 269956a_100000758484_200000047223 [0,0,0,1,0,0|1,0,2]=4 4436 B15R1.3745 O=C(O)C1CCCCCN1CCCCF 269956a_100000758484_100000729493 [0,0,0,1,0,0|2,0,0]=3 4437 B15R1.3745 O=C(O)C1CCCCCN1CCCCO 269956a_100000758484_100000210776 [0,0,0,1,0,0|1,0,0]=2 4438 B15R1.3745 O=CCCCN1CCCCCC1C(=O)O 269956a_100000758484_200011292268 [0,0,0,1,0,0|1,0,2]=4 4439 B15R1.5368 C[C@]1(CCC[C@H]1NCCCCCCO)O 2230a_100015977457_100000766143 [0,0,0,1,0,0|2,0,1]=4 4440 B15R1.5368 C[C@]1(CCC[C@H]1NCCCCCCO)O 34a_100015977457_100000766143 [0,0,0,1,0,0|2,0,1]=4 4441 B15R1.8881 CC(=O)NCCCCCNCC1CCO1 2230a_200012022750_100000103362 [0,0,0,1,0,0|3,0,0]=4 4442 B15R1.8881 CC(=O)NCCCCCNCC1CCO1 34a_200012022750_100000103362 [0,0,0,1,0,0|3,0,0]=4 4443 B15R1.8881 CC(=O)OCCCCCNC[C@@H]1CCO1 2230a_100020831831_100009813381 [0,0,0,1,0,0|3,0,0]=4 4444 B15R1.8881 CC(=O)OCCCCCNC[C@@H]1CCO1 34a_100020831831_100000033007 [0,0,0,1,0,0|3,0,0]=4 4445 B15R1.8881 CC(=O)OCCCCCOCC1CCO1 34a_100000039022_100000033007 [0,0,0,1,0,0|3,0,0]=4 4446 B15R1.8881 CC(=O)OCCCCCSCC1CCO1 62a_100000033007_100000103362 [0,0,0,1,0,0|3,0,0]=4 4447 B15R1.8881 CC(=O)OCCCCCSCC1CCO1 62a_100000103362_100000033007 [0,0,0,1,0,0|3,0,0]=4 4448 B15R1.8881 OB(O)CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100009817187 [0,0,0,1,0,0|2,0,1]=4 4449 B15R1.8881 OB(O)CCCCCCNC[C@@H]1CCO1 34a_100020831831_100009817187 [0,0,0,1,0,0|2,0,1]=4 4450 B15R1.8881 OB(O)CCCCCCOCC1CCO1 34a_100000039022_100009817187 [0,0,0,1,0,0|2,0,1]=4 4451 B15R1.8881 OB(O)CCCCCCSCC1CCO1 62a_100000103362_100009817187 [0,0,0,1,0,0|2,0,1]=4 4452 B15R1.8881 OB(O)CCCCCCSCC1CCO1 62a_100009817187_100000103362 [0,0,0,1,0,0|2,0,1]=4 4453 B15R1.8900 CC(=O)CCOCCCCOCC1CO1 7a_100010889290_100000053229 [0,0,0,1,0,0|3,0,0]=4 4454 B15R1.8900 CC(=O)NCCCCCCNCC1CO1 2230a_200011996284_100011216344 [0,0,0,1,0,0|3,0,0]=4 4455 B15R1.8900 CC(=O)NCCCCCCNCC1CO1 34a_200011996284_102125554688 [0,0,0,1,0,0|3,0,0]=4 4456 B15R1.8900 CC(=O)NCCCCCNCCC1CO1 2230a_200012022750_100000732470 [0,0,0,1,0,0|3,0,0]=4 4457 B15R1.8900 CC(=O)NCCCCCNCCC1CO1 34a_200012022750_100000732470 [0,0,0,1,0,0|3,0,0]=4 4458 B15R1.8900 CC(=O)NCCCCNCCCC1CO1 2230a_200011368371_100000733510 [0,0,0,1,0,0|3,0,0]=4 4459 B15R1.8900 CC(=O)NCCCCNCCCC1CO1 34a_200011368371_100000733510 [0,0,0,1,0,0|3,0,0]=4 4460 B15R1.8900 CC(=O)OCCCCCOCC[C@@H]1CO1 34a_100009820653_100000033007 [0,0,0,1,0,0|3,0,0]=4 4461 B15R1.8900 CC(=O)OCCCCCSCCC1CO1 62a_100000033007_100000732470 [0,0,0,1,0,0|3,0,0]=4 4462 B15R1.8900 CC(=O)OCCCCCSCCC1CO1 62a_100000732470_100000033007 [0,0,0,1,0,0|3,0,0]=4 4463 B15R1.8900 CC(=O)OCCCCOCCCC1CO1 34a_100000073216_100000733510 [0,0,0,1,0,0|3,0,0]=4 4464 B15R1.8900 CC(=O)OCCCCOCCCC1CO1 7a_100000073216_100000733510 [0,0,0,1,0,0|3,0,0]=4 4465 B15R1.8900 CC(=O)OCCCCSCCCC1CO1 62a_100000033659_100000733510 [0,0,0,1,0,0|3,0,0]=4 4466 B15R1.8900 CC(=O)OCCCCSCCCC1CO1 62a_100000733510_100000033659 [0,0,0,1,0,0|3,0,0]=4 4467 B15R1.8900 CC(=O)SCCCCSCCCC1CO1 62a_100000733510_200010402107 [0,0,0,1,0,0|3,0,0]=4 4468 B15R1.8900 CC(=O)SCCCCSCCCC1CO1 62a_200010402107_100000733510 [0,0,0,1,0,0|3,0,0]=4 4469 B15R1.8900 NC(=O)CCCCCOCCCC1CO1 34a_100000123541_100000733510 [0,0,0,1,0,0|2,0,0]=3 4470 B15R1.8900 NC(=O)CCCCCOCCCC1CO1 7a_100000123541_100000733510 [0,0,0,1,0,0|2,0,0]=3 4471 B15R1.8900 NC(=O)CCCCCSCCCC1CO1 62a_100000733510_100009817443 [0,0,0,1,0,0|2,0,0]=3 4472 B15R1.8900 NC(=O)CCCCCSCCCC1CO1 62a_100009817443_100000733510 [0,0,0,1,0,0|2,0,0]=3 4473 B15R1.8900 NC(=O)CCOCCCCOCC1CO1 34a_100010889290_100000731001 [0,0,0,1,0,0|3,0,0]=4 4474 B15R1.8900 NC(=O)CCOCCCCOCC1CO1 7a_100010889290_100000744528 [0,0,0,1,0,0|3,0,0]=4 4475 B15R1.8900 O=C(O)COCCOCCNCC1CO1 269956a_100009854275_102125554688 [0,0,0,1,0,0|3,0,0]=4 4476 B15R1.8900 O=C(O)COCCOCCNC[C@@H]1CO1 269956a_100009854275_100000745022 [0,0,0,1,0,0|3,0,0]=4 4477 B15R1.8900 O=C([O-])CCCCCOCCCC1CO1 7a_100102619762_100000733510 [0,0,0,1,0,0|1,0,1]=3 4478 B15R1.8900 OB(O)CCCCCCOCC[C@@H]1CO1 34a_100009820653_100009817187 [0,0,0,1,0,0|2,0,1]=4 4479 B15R1.8900 OB(O)CCCCCCSCCC1CO1 62a_100000732470_100009817187 [0,0,0,1,0,0|2,0,1]=4 4480 B15R1.8900 OB(O)CCCCCCSCCC1CO1 62a_100009817187_100000732470 [0,0,0,1,0,0|2,0,1]=4 4481 B15R1.8900 OB(O)CCCCCSCCCC1CO1 62a_100000733510_200009817188 [0,0,0,1,0,0|2,0,1]=4 4482 B15R1.8900 OB(O)CCCCCSCCCC1CO1 62a_200009817188_100000733510 [0,0,0,1,0,0|2,0,1]=4 4483 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000735457 [0,0,0,1,0,0|3,0,0]=4 4484 B15R1.8920 CC(=O)CCCCN1CCCCCCC1 34a_100000211400_100009817362 [0,0,0,1,0,0|3,0,0]=4 4485 B15R1.8920 CC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000685027 [0,0,0,1,0,0|3,0,0]=4 4486 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000685027 [0,0,0,1,0,0|3,0,0]=4 4487 B15R1.8920 CC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011215641 [0,0,0,1,0,0|3,0,0]=4 4488 B15R1.8920 CC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000053229 [0,0,0,1,0,0|3,0,0]=4 4489 B15R1.8920 NC(=O)CCCNC1CCCCCCC1 34a_100000211152_100102525003 [0,0,0,1,0,0|3,0,0]=4 4490 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 34a_100000210054_100102525003 [0,0,0,1,0,0|3,0,0]=4 4491 B15R1.8920 NC(=O)CCCOC1CCCCCCC1 7a_100000210054_100102525003 [0,0,0,1,0,0|3,0,0]=4 4492 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000731001 [0,0,0,1,0,0|3,0,0]=4 4493 B15R1.8920 NC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000744528 [0,0,0,1,0,0|3,0,0]=4 4494 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747473 [0,0,0,1,0,0|3,0,0]=4 4495 B15R1.8920 NC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000187820 [0,0,0,1,0,0|3,0,0]=4 4496 B15R1.8920 O=C([O-])CNCCC1CCCCCCC1 34a_100011532352_100020667443 [0,0,0,1,0,0|2,0,1]=4 4497 B15R1.8958 CC(=O)CCCCNC1CCCCCC1 34a_100000210984_100009817362 [0,0,0,1,0,0|3,0,0]=4 4498 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 34a_100000210887_100009817362 [0,0,0,1,0,0|3,0,0]=4 4499 B15R1.8958 CC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000735457 [0,0,0,1,0,0|3,0,0]=4 4500 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100000735457_100011217769 [0,0,0,1,0,0|3,0,0]=4 4501 B15R1.8958 CC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000735457 [0,0,0,1,0,0|3,0,0]=4 4502 B15R1.8958 CC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000685027 [0,0,0,1,0,0|3,0,0]=4 4503 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000685027 [0,0,0,1,0,0|3,0,0]=4 4504 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 34a_100000759063_200000696569 [0,0,0,1,0,0|3,0,0]=4 4505 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011215641 [0,0,0,1,0,0|3,0,0]=4 4506 B15R1.8958 CC(=O)CCCOCC1CCCCCC1 7a_100000759063_200000696569 [0,0,0,1,0,0|3,0,0]=4 4507 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_100011215641_200000696569 [0,0,0,1,0,0|3,0,0]=4 4508 B15R1.8958 CC(=O)CCCSCC1CCCCCC1 62a_200000696569_100011215641 [0,0,0,1,0,0|3,0,0]=4 4509 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100009817443 [0,0,0,1,0,0|3,0,0]=4 4510 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100009817443 [0,0,0,1,0,0|3,0,0]=4 4511 B15R1.8958 NC(=O)CCCCCN1CCCCCC1 34a_100000185865_100009817443 [0,0,0,1,0,0|3,0,0]=4 4512 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 270004a_100000696515_100000210131 [0,0,0,1,0,0|3,0,0]=4 4513 B15R1.8958 NC(=O)CCCCNC1CCCCCC1 34a_100000696515_100011217769 [0,0,0,1,0,0|3,0,0]=4 4514 B15R1.8958 NC(=O)CCCCOC1CCCCCC1 34a_100012022536_100011217769 [0,0,0,1,0,0|3,0,0]=4 4515 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 269862a_100000739312_200000763224 [0,0,0,1,0,0|3,0,0]=4 4516 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100000739312_200000696569 [0,0,0,1,0,0|3,0,0]=4 4517 B15R1.8958 NC(=O)CCCNCC1CCCCCC1 34a_100015204231_100102525003 [0,0,0,1,0,0|3,0,0]=4 4518 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 34a_100000699130_100102525003 [0,0,0,1,0,0|3,0,0]=4 4519 B15R1.8958 NC(=O)CCCOCC1CCCCCC1 7a_100000699130_100102525003 [0,0,0,1,0,0|3,0,0]=4 4520 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_100102525003_200000696569 [0,0,0,1,0,0|3,0,0]=4 4521 B15R1.8958 NC(=O)CCCSCC1CCCCCC1 62a_200000696569_100102525003 [0,0,0,1,0,0|3,0,0]=4 4522 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000744528 [0,0,0,1,0,0|3,0,0]=4 4523 B15R1.8958 NC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000731001 [0,0,0,1,0,0|3,0,0]=4 4524 B15R1.8958 O=C(O)COCCNC1CCCCCC1 269956a_100000700818_100011217769 [0,0,0,1,0,0|3,0,0]=4 4525 B15R1.9199 OCCCCCCCCCNCC1CO1 2230a_100000078944_100011216344 [0,0,0,1,0,0|2,0,1]=4 4526 B15R1.9199 OCCCCCCCCCNCC1CO1 34a_100000078944_102125554688 [0,0,0,1,0,0|2,0,1]=4 4527 B15R1.9199 OCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100009813782 [0,0,0,1,0,0|2,0,1]=4 4528 B15R1.9199 OCCCCCCCCCSCC1CO1 62a_100009813782_102125554688 [0,0,0,1,0,0|2,0,1]=4 4529 B15R1.9199 OCCCCCCCCCSCC1CO1 62a_102125554688_100009813782 [0,0,0,1,0,0|2,0,1]=4 4530 B15R1.9199 OCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100009813782 [0,0,0,1,0,0|2,0,1]=4 4531 B15R1.9199 OCCCCCCCCCSC[C@@H]1CO1 62a_100009813782_100000745022 [0,0,0,1,0,0|2,0,1]=4 4532 B15R1.9199 OCCCCCCCCNCCC1CO1 2230a_102515433106_100000732470 [0,0,0,1,0,0|2,0,1]=4 4533 B15R1.9199 OCCCCCCCCNCCC1CO1 34a_102515433106_100000732470 [0,0,0,1,0,0|2,0,1]=4 4534 B15R1.9199 OCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000033203 [0,0,0,1,0,0|2,0,1]=4 4535 B15R1.9199 OCCCCCCCCSCCC1CO1 62a_100000033203_100000732470 [0,0,0,1,0,0|2,0,1]=4 4536 B15R1.9199 OCCCCCCCCSCCC1CO1 62a_100000732470_100000033203 [0,0,0,1,0,0|2,0,1]=4 4537 B15R1.9199 OCCCCCCCNCCCC1CO1 2230a_100011996573_100000733510 [0,0,0,1,0,0|2,0,1]=4 4538 B15R1.9199 OCCCCCCCNCCCC1CO1 34a_100011996573_100000733510 [0,0,0,1,0,0|2,0,1]=4 4539 B15R1.9199 OCCCCCCCSCCCC1CO1 62a_100000733510_100000760002 [0,0,0,1,0,0|2,0,1]=4 4540 B15R1.9199 OCCCCCCCSCCCC1CO1 62a_100000760002_100000733510 [0,0,0,1,0,0|2,0,1]=4 4541 B15R1.9274 C#CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100012276617 [0,0,0,1,0,0|2,0,1]=4 4542 B15R1.9274 C=CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011215473 [0,0,0,1,0,0|2,0,1]=4 4543 B15R1.9274 CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210759 [0,0,0,1,0,0|2,0,0]=3 4544 B15R1.9274 COCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011998445 [0,0,0,1,0,0|3,0,0]=4 4545 B15R1.9274 N#CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100009813337 [0,0,0,1,0,0|2,0,1]=4 4546 B15R1.9274 O=C(O)C1CCN1CCCCCCCO 269956a_100000021838_100000760002 [0,0,0,1,0,0|1,0,0]=2 4547 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 4548 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 4549 B15R1.10901 CCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210207 [0,0,0,1,0,0|2,0,0]=3 4550 B15R1.10901 COCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000766300 [0,0,0,1,0,0|3,0,0]=4 4551 B15R1.10901 CSCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011218213 [0,0,0,1,0,0|3,0,0]=4 4552 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 4553 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCF 269956a_200049070474_100011217306 [0,0,0,1,0,0|2,0,0]=3 4554 B15R1.10901 O=C(O)[C@H]1CCCCCC[C@H]1NCCO 269956a_200049070474_100000211926 [0,0,0,1,0,0|1,0,0]=2 4555 B15R1.10901 O=CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200015260668 [0,0,0,1,0,0|1,0,2]=4 4556 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100011215641 [0,0,0,1,0,0|3,0,0]=4 4557 B15R1.12194 CC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000685027 [0,0,0,1,0,0|3,0,0]=4 4558 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100102525003 [0,0,0,1,0,0|3,0,0]=4 4559 B15R1.12194 NC(=O)CCCN1CCCCCCCC1 34a_100000039187_100102525003 [0,0,0,1,0,0|3,0,0]=4 4560 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [2,0,0,0,0,0|2,0,0]=4 4561 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [2,0,0,0,0,0|2,0,0]=4 4562 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [2,0,0,0,0,0|2,0,0]=4 4563 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [2,0,0,0,0,0|2,0,0]=4 4564 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [2,0,0,0,0,0|2,0,0]=4 4565 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [2,0,0,0,0,0|2,0,0]=4 4566 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [2,0,0,0,0,0|2,0,0]=4 4567 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [2,0,0,0,0,0|2,0,0]=4 4568 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [2,0,0,0,0,0|2,0,0]=4 4569 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [2,0,0,0,0,0|2,0,0]=4 4570 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [2,0,0,0,0,0|2,0,0]=4 4571 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [2,0,0,0,0,0|2,0,0]=4 4572 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [2,0,0,0,0,0|2,0,0]=4 4573 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [2,0,0,0,0,0|2,0,0]=4 4574 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [2,0,0,0,0,0|2,0,0]=4 4575 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [2,0,0,0,0,0|2,0,0]=4 4576 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [2,0,0,0,0,0|2,0,0]=4 4577 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [2,0,0,0,0,0|2,0,0]=4 4578 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [2,0,0,0,0,0|2,0,0]=4 4579 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [2,0,0,0,0,0|2,0,0]=4 4580 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [2,0,0,0,0,0|2,0,0]=4 4581 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [2,0,0,0,0,0|2,0,0]=4 4582 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [2,0,0,0,0,0|1,0,1]=4 4583 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [2,0,0,0,0,0|1,0,1]=4 4584 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [2,0,0,0,0,0|2,0,0]=4 4585 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [2,0,0,0,0,0|2,0,0]=4 4586 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [2,0,0,0,0,0|2,0,0]=4 4587 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [2,0,0,0,0,0|1,0,1]=4 4588 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [2,0,0,0,0,0|1,0,1]=4 4589 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [2,0,0,0,0,0|2,0,0]=4 4590 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [2,0,0,0,0,0|2,0,0]=4 4591 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [2,0,0,0,0,0|1,0,1]=4 4592 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [2,0,0,0,0,0|1,0,1]=4 4593 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [2,0,0,0,0,0|2,0,0]=4 4594 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [2,0,0,0,0,0|2,0,0]=4 4595 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [2,0,0,0,0,0|2,0,0]=4 4596 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [2,0,0,0,0,0|2,0,0]=4 4597 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [2,0,0,0,0,0|2,0,0]=4 4598 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [2,0,0,0,0,0|2,0,0]=4 4599 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [2,0,0,0,0,0|1,0,1]=4 4600 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [2,0,0,0,0,0|1,0,1]=4 4601 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [2,0,0,0,0,0|2,0,0]=4 4602 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [2,0,0,0,0,0|2,0,0]=4 4603 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [2,0,0,0,0,0|1,0,1]=4 4604 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [2,0,0,0,0,0|1,0,1]=4 4605 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [2,0,0,0,0,0|2,0,0]=4 4606 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [2,0,0,0,0,0|1,0,1]=4 4607 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [2,0,0,0,0,0|1,0,1]=4 4608 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [2,0,0,0,0,0|2,0,0]=4 4609 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [2,0,0,0,0,0|2,0,0]=4 4610 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [2,0,0,0,0,0|2,0,0]=4 4611 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [2,0,0,0,0,0|2,0,0]=4 4612 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [2,0,0,0,0,0|1,0,1]=4 4613 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [2,0,0,0,0,0|1,0,1]=4 4614 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [2,0,0,0,0,0|2,0,0]=4 4615 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [2,0,0,0,0,0|2,0,0]=4 4616 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [2,0,0,0,0,0|1,0,1]=4 4617 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [2,0,0,0,0,0|1,0,1]=4 4618 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [2,0,0,0,0,0|2,0,0]=4 4619 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [2,0,0,0,0,0|2,0,0]=4 4620 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [2,0,0,0,0,0|2,0,0]=4 4621 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [2,0,0,0,0,0|1,0,1]=4 4622 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [2,0,0,0,0,0|1,0,1]=4 4623 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [2,0,0,0,0,0|1,0,1]=4 4624 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [2,0,0,0,0,0|1,0,1]=4 4625 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [2,0,0,0,0,0|2,0,0]=4 4626 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [2,0,0,0,0,0|2,0,0]=4 4627 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [2,0,0,0,0,0|2,0,0]=4 4628 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [2,0,0,0,0,0|2,0,0]=4 4629 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [2,0,0,0,0,0|1,0,1]=4 4630 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [2,0,0,0,0,0|1,0,1]=4 4631 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [2,0,0,0,0,0|2,0,0]=4 4632 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [2,0,0,0,0,0|2,0,0]=4 4633 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [2,0,0,0,0,0|1,0,1]=4 4634 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [2,0,0,0,0,0|1,0,1]=4 4635 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [2,0,0,0,0,0|2,0,0]=4 4636 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [2,0,0,0,0,0|2,0,0]=4 4637 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [2,0,0,0,0,0|2,0,0]=4 4638 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [2,0,0,0,0,0|1,0,1]=4 4639 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [2,0,0,0,0,0|1,0,1]=4 4640 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [2,0,0,0,0,0|1,0,1]=4 4641 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [2,0,0,0,0,0|1,0,1]=4 4642 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [2,0,0,0,0,0|2,0,0]=4 4643 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [2,0,0,0,0,0|2,0,0]=4 4644 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [2,0,0,0,0,0|2,0,0]=4 4645 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [2,0,0,0,0,0|2,0,0]=4 4646 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [2,0,0,0,0,0|1,0,1]=4 4647 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [2,0,0,0,0,0|1,0,1]=4 4648 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [2,0,0,0,0,0|2,0,0]=4 4649 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [2,0,0,0,0,0|2,0,0]=4 4650 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [2,0,0,0,0,0|1,0,1]=4 4651 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [2,0,0,0,0,0|1,0,1]=4 4652 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [2,0,0,0,0,0|2,0,0]=4 4653 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [2,0,0,0,0,0|2,0,0]=4 4654 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [2,0,0,0,0,0|2,0,0]=4 4655 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [2,0,0,0,0,0|1,0,1]=4 4656 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [2,0,0,0,0,0|1,0,1]=4 4657 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [2,0,0,0,0,0|1,0,1]=4 4658 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [2,0,0,0,0,0|2,0,0]=4 4659 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [2,0,0,0,0,0|2,0,0]=4 4660 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [2,0,0,0,0,0|2,0,0]=4 4661 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [2,0,0,0,0,0|1,0,1]=4 4662 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [2,0,0,0,0,0|2,0,0]=4 4663 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [2,0,0,0,0,0|2,0,0]=4 4664 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [2,0,0,0,0,0|1,0,1]=4 4665 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [2,0,0,0,0,0|1,0,1]=4 4666 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [2,0,0,0,0,0|2,0,0]=4 4667 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [2,0,0,0,0,0|2,0,0]=4 4668 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [2,0,0,0,0,0|2,0,0]=4 4669 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [2,0,0,0,0,0|1,0,1]=4 4670 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [2,0,0,0,0,0|1,0,1]=4 4671 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [2,0,0,0,0,0|1,0,1]=4 4672 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [2,0,0,0,0,0|2,0,0]=4 4673 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [2,0,0,0,0,0|2,0,0]=4 4674 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [2,0,0,0,0,0|2,0,0]=4 4675 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [2,0,0,0,0,0|1,0,1]=4 4676 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [2,0,0,0,0,0|2,0,0]=4 4677 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [2,0,0,0,0,0|1,0,1]=4 4678 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [2,0,0,0,0,0|1,0,1]=4 4679 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [2,0,0,0,0,0|2,0,0]=4 4680 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [2,0,0,0,0,0|2,0,0]=4 4681 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [2,0,0,0,0,0|2,0,0]=4 4682 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [2,0,0,0,0,0|2,0,0]=4 4683 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [2,0,0,0,0,0|2,0,0]=4 4684 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [2,0,0,0,0,0|2,0,0]=4 4685 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [2,0,0,0,0,0|2,0,0]=4 4686 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [2,0,0,0,0,0|2,0,0]=4 4687 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [2,0,0,0,0,0|2,0,0]=4 4688 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [2,0,0,0,0,0|2,0,0]=4 4689 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [2,0,0,0,0,0|2,0,0]=4 4690 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [2,0,0,0,0,0|2,0,0]=4 4691 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [2,0,0,0,0,0|2,0,0]=4 4692 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [2,0,0,0,0,0|2,0,0]=4 4693 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [2,0,0,0,0,0|1,0,0]=3 4694 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [2,0,0,0,0,0|1,0,0]=3 4695 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [2,0,0,0,0,0|1,0,1]=4 4696 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [2,0,0,0,0,0|1,0,1]=4 4697 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [2,0,0,0,0,0|1,0,1]=4 4698 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [2,0,0,0,0,0|1,0,1]=4 4699 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [2,0,0,0,0,0|1,0,0]=3 4700 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [2,0,0,0,0,0|1,0,0]=3 4701 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [2,0,0,0,0,0|1,0,1]=4 4702 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [2,0,0,0,0,0|1,0,1]=4 4703 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [2,0,0,0,0,0|1,0,0]=3 4704 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [2,0,0,0,0,0|1,0,1]=4 4705 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [2,0,0,0,0,0|1,0,1]=4 4706 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [2,0,0,0,0,0|1,0,1]=4 4707 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [2,0,0,0,0,0|1,0,1]=4 4708 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [2,0,0,0,0,0|1,0,1]=4 4709 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [2,0,0,0,0,0|1,0,1]=4 4710 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [2,0,0,0,0,0|1,0,1]=4 4711 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [2,0,0,0,0,0|1,0,0]=3 4712 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [2,0,0,0,0,0|1,0,1]=4 4713 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [2,0,0,0,0,0|1,0,1]=4 4714 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [2,0,0,0,0,0|1,0,1]=4 4715 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [2,0,0,0,0,0|1,0,0]=3 4716 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [2,0,0,0,0,0|1,0,1]=4 4717 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [2,0,0,0,0,0|1,0,1]=4 4718 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [2,0,0,0,0,0|1,0,0]=3 4719 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [2,0,0,0,0,0|1,0,0]=3 4720 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [2,0,0,0,0,0|1,0,1]=4 4721 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [2,0,0,0,0,0|1,0,1]=4 4722 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [2,0,0,0,0,0|1,0,0]=3 4723 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [2,0,0,0,0,0|1,0,1]=4 4724 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [2,0,0,0,0,0|1,0,1]=4 4725 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [2,0,0,0,0,0|1,0,1]=4 4726 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [2,0,0,0,0,0|1,0,0]=3 4727 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [2,0,0,0,0,0|1,0,1]=4 4728 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [2,0,0,0,0,0|1,0,1]=4 4729 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [2,0,0,0,0,0|2,0,0]=4 4730 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [2,0,0,0,0,0|2,0,0]=4 4731 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [2,0,0,0,0,0|1,0,0]=3 4732 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [2,0,0,0,0,0|1,0,0]=3 4733 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [2,0,0,0,0,0|1,0,1]=4 4734 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [2,0,0,0,0,0|1,0,1]=4 4735 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [2,0,0,0,0,0|1,0,0]=3 4736 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [2,0,0,0,0,0|1,0,1]=4 4737 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [2,0,0,0,0,0|1,0,1]=4 4738 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [2,0,0,0,0,0|1,0,1]=4 4739 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [2,0,0,0,0,0|1,0,0]=3 4740 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [2,0,0,0,0,0|1,0,1]=4 4741 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [2,0,0,0,0,0|1,0,1]=4 4742 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [2,0,0,0,0,0|1,0,0]=3 4743 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [2,0,0,0,0,0|1,0,0]=3 4744 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [2,0,0,0,0,0|1,0,1]=4 4745 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [2,0,0,0,0,0|1,0,1]=4 4746 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [2,0,0,0,0,0|1,0,1]=4 4747 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [2,0,0,0,0,0|1,0,1]=4 4748 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [2,0,0,0,0,0|1,0,1]=4 4749 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [2,0,0,0,0,0|1,0,1]=4 4750 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [2,0,0,0,0,0|2,0,0]=4 4751 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [2,0,0,0,0,0|1,0,1]=4 4752 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [2,0,0,0,0,0|1,0,1]=4 4753 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [2,0,0,0,0,0|2,0,0]=4 4754 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [2,0,0,0,0,0|2,0,0]=4 4755 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [2,0,0,0,0,0|2,0,0]=4 4756 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [2,0,0,0,0,0|2,0,0]=4 4757 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [2,0,0,0,0,0|2,0,0]=4 4758 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [2,0,0,0,0,0|2,0,0]=4 4759 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [2,0,0,0,0,0|2,0,0]=4 4760 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [2,0,0,0,0,0|1,0,1]=4 4761 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [2,0,0,0,0,0|1,0,1]=4 4762 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [2,0,0,0,0,0|2,0,0]=4 4763 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [2,0,0,0,0,0|2,0,0]=4 4764 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [2,0,0,0,0,0|1,0,1]=4 4765 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [2,0,0,0,0,0|1,0,1]=4 4766 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [2,0,0,0,0,0|1,0,1]=4 4767 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [2,0,0,0,0,0|2,0,0]=4 4768 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [2,0,0,0,0,0|2,0,0]=4 4769 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [2,0,0,0,0,0|2,0,0]=4 4770 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [2,0,0,0,0,0|2,0,0]=4 4771 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [2,0,0,0,0,0|2,0,0]=4 4772 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [2,0,0,0,0,0|1,0,1]=4 4773 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [2,0,0,0,0,0|1,0,1]=4 4774 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [2,0,0,0,0,0|2,0,0]=4 4775 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [2,0,0,0,0,0|2,0,0]=4 4776 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [2,0,0,0,0,0|1,0,1]=4 4777 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [2,0,0,0,0,0|1,0,1]=4 4778 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [2,0,0,0,0,0|1,0,1]=4 4779 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [2,0,0,0,0,0|1,0,1]=4 4780 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [2,0,0,0,0,0|2,0,0]=4 4781 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [2,0,0,0,0,0|2,0,0]=4 4782 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [2,0,0,0,0,0|2,0,0]=4 4783 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [2,0,0,0,0,0|2,0,0]=4 4784 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [2,0,0,0,0,0|2,0,0]=4 4785 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [2,0,0,0,0,0|2,0,0]=4 4786 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [2,0,0,0,0,0|2,0,0]=4 4787 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [2,0,0,0,0,0|2,0,0]=4 4788 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [2,0,0,0,0,0|1,0,1]=4 4789 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [2,0,0,0,0,0|1,0,1]=4 4790 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [2,0,0,0,0,0|2,0,0]=4 4791 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [2,0,0,0,0,0|2,0,0]=4 4792 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [2,0,0,0,0,0|2,0,0]=4 4793 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [2,0,0,0,0,0|2,0,0]=4 4794 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [2,0,0,0,0,0|2,0,0]=4 4795 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [2,0,0,0,0,0|1,0,1]=4 4796 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [2,0,0,0,0,0|1,0,1]=4 4797 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [2,0,0,0,0,0|1,0,1]=4 4798 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [2,0,0,0,0,0|1,0,1]=4 4799 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [2,0,0,0,0,0|1,0,1]=4 4800 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [2,0,0,0,0,0|1,0,1]=4 4801 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [2,0,0,0,0,0|2,0,0]=4 4802 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [2,0,0,0,0,0|2,0,0]=4 4803 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [2,0,0,0,0,0|2,0,0]=4 4804 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [2,0,0,0,0,0|2,0,0]=4 4805 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [2,0,0,0,0,0|2,0,0]=4 4806 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [2,0,0,0,0,0|1,0,1]=4 4807 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [2,0,0,0,0,0|1,0,1]=4 4808 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [2,0,0,0,0,0|2,0,0]=4 4809 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [2,0,0,0,0,0|2,0,0]=4 4810 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [2,0,0,0,0,0|2,0,0]=4 4811 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [2,0,0,0,0,0|2,0,0]=4 4812 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [2,0,0,0,0,0|2,0,0]=4 4813 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [2,0,0,0,0,0|2,0,0]=4 4814 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [2,0,0,0,0,0|2,0,0]=4 4815 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [2,0,0,0,0,0|2,0,0]=4 4816 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [2,0,0,0,0,0|2,0,0]=4 4817 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [2,0,0,0,0,0|2,0,0]=4 4818 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [2,0,0,0,0,0|2,0,0]=4 4819 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [2,0,0,0,0,0|1,0,0]=3 4820 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [2,0,0,0,0,0|2,0,0]=4 4821 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [2,0,0,0,0,0|2,0,0]=4 4822 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [2,0,0,0,0,0|2,0,0]=4 4823 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [2,0,0,0,0,0|2,0,0]=4 4824 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [2,0,0,0,0,0|1,0,0]=3 4825 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [2,0,0,0,0,0|1,0,0]=3 4826 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [2,0,0,0,0,0|1,0,0]=3 4827 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [2,0,0,0,0,0|2,0,0]=4 4828 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [2,0,0,0,0,0|2,0,0]=4 4829 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [2,0,0,0,0,0|2,0,0]=4 4830 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [2,0,0,0,0,0|2,0,0]=4 4831 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [2,0,0,0,0,0|2,0,0]=4 4832 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [2,0,0,0,0,0|2,0,0]=4 4833 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [2,0,0,0,0,0|2,0,0]=4 4834 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [2,0,0,0,0,0|1,0,0]=3 4835 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [2,0,0,0,0,0|1,0,0]=3 4836 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [2,0,0,0,0,0|2,0,0]=4 4837 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [2,0,0,0,0,0|2,0,0]=4 4838 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [2,0,0,0,0,0|1,0,0]=3 4839 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [2,0,0,0,0,0|2,0,0]=4 4840 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [2,0,0,0,0,0|2,0,0]=4 4841 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [2,0,0,0,0,0|2,0,0]=4 4842 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [2,0,0,0,0,0|2,0,0]=4 4843 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [2,0,0,0,0,0|2,0,0]=4 4844 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [2,0,0,0,0,0|1,0,0]=3 4845 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [2,0,0,0,0,0|1,0,0]=3 4846 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [2,0,0,0,0,0|1,0,0]=3 4847 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [2,0,0,0,0,0|1,0,0]=3 4848 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [2,0,0,0,0,0|2,0,0]=4 4849 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [2,0,0,0,0,0|2,0,0]=4 4850 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [2,0,0,0,0,0|2,0,0]=4 4851 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [2,0,0,0,0,0|2,0,0]=4 4852 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [2,0,0,0,0,0|1,0,0]=3 4853 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [2,0,0,0,0,0|1,0,0]=3 4854 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [2,0,0,0,0,0|2,0,0]=4 4855 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [2,0,0,0,0,0|2,0,0]=4 4856 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [2,0,0,0,0,0|2,0,0]=4 4857 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [2,0,0,0,0,0|2,0,0]=4 4858 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [2,0,0,0,0,0|2,0,0]=4 4859 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [2,0,0,0,0,0|2,0,0]=4 4860 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [2,0,0,0,0,0|1,0,0]=3 4861 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [2,0,0,0,0,0|1,0,0]=3 4862 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [2,0,0,0,0,0|1,0,0]=3 4863 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [2,0,0,0,0,0|1,0,0]=3 4864 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [2,0,0,0,0,0|2,0,0]=4 4865 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [2,0,0,0,0,0|2,0,0]=4 4866 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [2,0,0,0,0,0|2,0,0]=4 4867 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [2,0,0,0,0,0|1,0,0]=3 4868 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [2,0,0,0,0,0|1,0,0]=3 4869 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [2,0,0,0,0,0|2,0,0]=4 4870 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [2,0,0,0,0,0|2,0,0]=4 4871 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [2,0,0,0,0,0|2,0,0]=4 4872 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [2,0,0,0,0,0|2,0,0]=4 4873 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [2,0,0,0,0,0|1,0,0]=3 4874 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [2,0,0,0,0,0|1,0,0]=3 4875 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [2,0,0,0,0,0|2,0,0]=4 4876 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [2,0,0,0,0,0|2,0,0]=4 4877 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [2,0,0,0,0,0|2,0,0]=4 4878 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [2,0,0,0,0,0|2,0,0]=4 4879 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [2,0,0,0,0,0|2,0,0]=4 4880 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [2,0,0,0,0,0|1,0,0]=3 4881 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [2,0,0,0,0,0|1,0,0]=3 4882 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [2,0,0,0,0,0|2,0,0]=4 4883 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [2,0,0,0,0,0|2,0,0]=4 4884 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [2,0,0,0,0,0|1,0,0]=3 4885 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [2,0,0,0,0,0|1,0,0]=3 4886 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [2,0,0,0,0,0|1,0,0]=3 4887 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [2,0,0,0,0,0|1,0,0]=3 4888 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [2,0,0,0,0,0|2,0,0]=4 4889 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [2,0,0,0,0,0|2,0,0]=4 4890 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [2,0,0,0,0,0|2,0,0]=4 4891 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [2,0,0,0,0,0|2,0,0]=4 4892 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [2,0,0,0,0,0|2,0,0]=4 4893 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [2,0,0,0,0,0|2,0,0]=4 4894 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [2,0,0,0,0,0|2,0,0]=4 4895 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [2,0,0,0,0,0|2,0,0]=4 4896 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [2,0,0,0,0,0|1,0,0]=3 4897 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [2,0,0,0,0,0|1,0,0]=3 4898 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [2,0,0,0,0,0|2,0,0]=4 4899 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [2,0,0,0,0,0|2,0,0]=4 4900 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [2,0,0,0,0,0|1,0,0]=3 4901 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [2,0,0,0,0,0|1,0,0]=3 4902 B12R0.5 OCCCCCNCCOCCO 2230a_100000211614_100000746330 [2,0,0,0,0,0|2,0,0]=4 4903 B12R0.5 OCCCCCNCCOCCO 2230a_100000762737_100011215305 [2,0,0,0,0,0|2,0,0]=4 4904 B12R0.5 OCCCCCNCCOCCO 34a_100000211614_100000746330 [2,0,0,0,0,0|2,0,0]=4 4905 B12R0.5 OCCCCCNCCOCCO 34a_100000762737_100000692535 [2,0,0,0,0,0|2,0,0]=4 4906 B12R0.5 OCCCCCNCCSCCO 2230a_100011219999_100000746330 [2,0,0,0,0,0|2,0,0]=4 4907 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [2,0,0,0,0,0|2,0,0]=4 4908 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [2,0,0,0,0,0|2,0,0]=4 4909 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [2,0,0,0,0,0|2,0,0]=4 4910 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [2,0,0,0,0,0|2,0,0]=4 4911 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [2,0,0,0,0,0|2,0,0]=4 4912 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [2,0,0,0,0,0|2,0,0]=4 4913 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [2,0,0,0,0,0|2,0,0]=4 4914 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [2,0,0,0,0,0|2,0,0]=4 4915 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [2,0,0,0,0,0|1,0,0]=3 4916 B12R0.5 OCCCCCSCCOCCO 62a_100000746330_100011215305 [2,0,0,0,0,0|2,0,0]=4 4917 B12R0.5 OCCCCCSCCOCCO 62a_100011215305_100000746330 [2,0,0,0,0,0|2,0,0]=4 4918 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [2,0,0,0,0,0|2,0,0]=4 4919 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [2,0,0,0,0,0|2,0,0]=4 4920 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [2,0,0,0,0,0|2,0,0]=4 4921 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [2,0,0,0,0,0|2,0,0]=4 4922 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [2,0,0,0,0,0|2,0,0]=4 4923 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [2,0,0,0,0,0|2,0,0]=4 4924 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [2,0,0,0,0,0|2,0,0]=4 4925 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [2,0,0,0,0,0|2,0,0]=4 4926 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [2,0,0,0,0,0|2,0,0]=4 4927 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [2,0,0,0,0,0|2,0,0]=4 4928 B12R0.5 OCCCNCCCOCCCO 2230a_100011310245_100000230001 [2,0,0,0,0,0|2,0,0]=4 4929 B12R0.5 OCCCNCCCOCCCO 34a_100011310245_100000230001 [2,0,0,0,0,0|2,0,0]=4 4930 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [2,0,0,0,0,0|2,0,0]=4 4931 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [2,0,0,0,0,0|2,0,0]=4 4932 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [2,0,0,0,0,0|2,0,0]=4 4933 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [2,0,0,0,0,0|2,0,0]=4 4934 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [2,0,0,0,0,0|2,0,0]=4 4935 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [2,0,0,0,0,0|2,0,0]=4 4936 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [2,0,0,0,0,0|1,0,1]=4 4937 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [2,0,0,0,0,0|1,0,1]=4 4938 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [2,0,0,0,0,0|1,0,1]=4 4939 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [2,0,0,0,0,0|1,0,1]=4 4940 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [2,0,0,0,0,0|2,0,0]=4 4941 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [2,0,0,0,0,0|1,0,0]=3 4942 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [2,0,0,0,0,0|2,0,0]=4 4943 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [2,0,0,0,0,0|2,0,0]=4 4944 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [2,0,0,0,0,0|2,0,0]=4 4945 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [2,0,0,0,0,0|2,0,0]=4 4946 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [2,0,0,0,0,0|2,0,0]=4 4947 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [2,0,0,0,0,0|2,0,0]=4 4948 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [2,0,0,0,0,0|2,0,0]=4 4949 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [2,0,0,0,0,0|2,0,0]=4 4950 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [2,0,0,0,0,0|2,0,0]=4 4951 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [2,0,0,0,0,0|2,0,0]=4 4952 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [2,0,0,0,0,0|2,0,0]=4 4953 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [2,0,0,0,0,0|2,0,0]=4 4954 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [2,0,0,0,0,0|2,0,0]=4 4955 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [2,0,0,0,0,0|2,0,0]=4 4956 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [2,0,0,0,0,0|1,0,0]=3 4957 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [2,0,0,0,0,0|1,0,0]=3 4958 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [2,0,0,0,0,0|1,0,0]=3 4959 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [2,0,0,0,0,0|2,0,0]=4 4960 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [2,0,0,0,0,0|2,0,0]=4 4961 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [2,0,0,0,0,0|2,0,0]=4 4962 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [2,0,0,0,0,0|2,0,0]=4 4963 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [2,0,0,0,0,0|2,0,0]=4 4964 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [2,0,0,0,0,0|2,0,0]=4 4965 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [2,0,0,0,0,0|2,0,0]=4 4966 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [2,0,0,0,0,0|1,0,0]=3 4967 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [2,0,0,0,0,0|1,0,1]=4 4968 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [2,0,0,0,0,0|2,0,0]=4 4969 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [2,0,0,0,0,0|2,0,0]=4 4970 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [2,0,0,0,0,0|2,0,0]=4 4971 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [2,0,0,0,0,0|2,0,0]=4 4972 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [2,0,0,0,0,0|2,0,0]=4 4973 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [2,0,0,0,0,0|1,0,1]=4 4974 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [2,0,0,0,0,0|2,0,0]=4 4975 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [2,0,0,0,0,0|2,0,0]=4 4976 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [2,0,0,0,0,0|1,0,1]=4 4977 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [2,0,0,0,0,0|1,0,1]=4 4978 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [2,0,0,0,0,0|2,0,0]=4 4979 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [2,0,0,0,0,0|2,0,0]=4 4980 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [2,0,0,0,0,0|2,0,0]=4 4981 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [2,0,0,0,0,0|2,0,0]=4 4982 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [2,0,0,0,0,0|2,0,0]=4 4983 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [2,0,0,0,0,0|2,0,0]=4 4984 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [2,0,0,0,0,0|2,0,0]=4 4985 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [2,0,0,0,0,0|2,0,0]=4 4986 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [2,0,0,0,0,0|2,0,0]=4 4987 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [2,0,0,0,0,0|2,0,0]=4 4988 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [2,0,0,0,0,0|2,0,0]=4 4989 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [2,0,0,0,0,0|2,0,0]=4 4990 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [2,0,0,0,0,0|2,0,0]=4 4991 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [2,0,0,0,0,0|2,0,0]=4 4992 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [2,0,0,0,0,0|2,0,0]=4 4993 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [2,0,0,0,0,0|2,0,0]=4 4994 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [2,0,0,0,0,0|2,0,0]=4 4995 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [2,0,0,0,0,0|2,0,0]=4 4996 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [2,0,0,0,0,0|2,0,0]=4 4997 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [2,0,0,0,0,0|2,0,0]=4 4998 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [2,0,0,0,0,0|2,0,0]=4 4999 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [2,0,0,0,0,0|2,0,0]=4 5000 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [2,0,0,0,0,0|2,0,0]=4 5001 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [2,0,0,0,0,0|2,0,0]=4 5002 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [2,0,0,0,0,0|2,0,0]=4 5003 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [2,0,0,0,0,0|2,0,0]=4 5004 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [2,0,0,0,0,0|2,0,0]=4 5005 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [2,0,0,0,0,0|2,0,0]=4 5006 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [2,0,0,0,0,0|2,0,0]=4 5007 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [2,0,0,0,0,0|2,0,0]=4 5008 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [2,0,0,0,0,0|2,0,0]=4 5009 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [2,0,0,0,0,0|2,0,0]=4 5010 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [2,0,0,0,0,0|2,0,0]=4 5011 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [2,0,0,0,0,0|2,0,0]=4 5012 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [2,0,0,0,0,0|2,0,0]=4 5013 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [2,0,0,0,0,0|2,0,0]=4 5014 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [2,0,0,0,0,0|2,0,0]=4 5015 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [2,0,0,0,0,0|2,0,0]=4 5016 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [2,0,0,0,0,0|1,0,1]=4 5017 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [2,0,0,0,0,0|2,0,0]=4 5018 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [2,0,0,0,0,0|2,0,0]=4 5019 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [2,0,0,0,0,0|2,0,0]=4 5020 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [2,0,0,0,0,0|2,0,0]=4 5021 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [2,0,0,0,0,0|2,0,0]=4 5022 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [2,0,0,0,0,0|2,0,0]=4 5023 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [2,0,0,0,0,0|2,0,0]=4 5024 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [2,0,0,0,0,0|2,0,0]=4 5025 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [2,0,0,0,0,0|2,0,0]=4 5026 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [2,0,0,0,0,0|2,0,0]=4 5027 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [2,0,0,0,0,0|2,0,0]=4 5028 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [2,0,0,0,0,0|2,0,0]=4 5029 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [2,0,0,0,0,0|2,0,0]=4 5030 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [2,0,0,0,0,0|2,0,0]=4 5031 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [2,0,0,0,0,0|2,0,0]=4 5032 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [2,0,0,0,0,0|2,0,0]=4 5033 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [2,0,0,0,0,0|2,0,0]=4 5034 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [2,0,0,0,0,0|2,0,0]=4 5035 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [2,0,0,0,0,0|2,0,0]=4 5036 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [2,0,0,0,0,0|2,0,0]=4 5037 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [2,0,0,0,0,0|2,0,0]=4 5038 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [2,0,0,0,0,0|2,0,0]=4 5039 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [2,0,0,0,0,0|2,0,0]=4 5040 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [2,0,0,0,0,0|2,0,0]=4 5041 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [2,0,0,0,0,0|2,0,0]=4 5042 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [2,0,0,0,0,0|1,0,0]=3 5043 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [2,0,0,0,0,0|2,0,0]=4 5044 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [2,0,0,0,0,0|2,0,0]=4 5045 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [2,0,0,0,0,0|1,0,1]=4 5046 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [2,0,0,0,0,0|1,0,1]=4 5047 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [2,0,0,0,0,0|1,0,1]=4 5048 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [2,0,0,0,0,0|1,0,1]=4 5049 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [2,0,0,0,0,0|2,0,0]=4 5050 B14R0.2 CC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100011215641 [1,1,0,0,0,0|1,0,1]=4 5051 B14R0.2 CC(CCCC(=O)[O-])OCCCCCO 7a_100000761597_100000746330 [1,1,0,0,0,0|1,0,1]=4 5052 B14R0.2 CCCCCCCC(=O)CCCC(=O)C 1458a_100000211969_100011215641 [1,1,0,0,0,0|1,0,1]=4 5053 B14R0.2 CCCCCCCC(=O)CCCC(=O)N 1458a_100000211969_100102525003 [1,1,0,0,0,0|1,0,1]=4 5054 B14R0.2 CCCCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218727 [1,1,0,0,0,0|2,0,0]=4 5055 B14R0.2 CCCCCCCC(C)OCCC(=O)C 34a_100000759926_200011218727 [1,1,0,0,0,0|2,0,0]=4 5056 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_100000759926_200011218727 [1,1,0,0,0,0|2,0,0]=4 5057 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_200011215852_100000053229 [1,1,0,0,0,0|2,0,0]=4 5058 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_100000757172_200011218727 [1,1,0,0,0,0|2,0,0]=4 5059 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_200011215852_100000731001 [1,1,0,0,0,0|2,0,0]=4 5060 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_100000757172_200011218727 [1,1,0,0,0,0|2,0,0]=4 5061 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_200011215852_100000744528 [1,1,0,0,0,0|2,0,0]=4 5062 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_100000053229_200011218727 [1,1,0,0,0,0|2,0,0]=4 5063 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_200011218727_100000053229 [1,1,0,0,0,0|2,0,0]=4 5064 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_100000744528_200011218727 [1,1,0,0,0,0|2,0,0]=4 5065 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_200011218727_100000744528 [1,1,0,0,0,0|2,0,0]=4 5066 B14R0.2 CCCCCCCN(C)CCCC(=O)C 269982a_100000228206_100011215641 [1,1,0,0,0,0|2,0,0]=4 5067 B14R0.2 CCCCCCCN(C)CCCC(=O)N 269982a_100000228206_100102525003 [1,1,0,0,0,0|2,0,0]=4 5068 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [1,1,0,0,0,0|1,0,0]=3 5069 B14R0.2 CCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210314 [1,1,0,0,0,0|1,0,1]=4 5070 B14R0.2 CCCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000743108 [1,1,0,0,0,0|2,0,0]=4 5071 B14R0.2 CN(CCCCCCF)CCCC(=O)O 269956a_100000719178_100015922095 [1,1,0,0,0,0|2,0,0]=4 5072 B14R0.2 CN(CCCCCCO)CCCC(=O)O 269956a_100000719178_100000766143 [1,1,0,0,0,0|1,0,0]=3 5073 B14R0.2 NC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100102525003 [1,1,0,0,0,0|1,0,1]=4 5074 B14R0.68 CC(=O)CCCCOCCCCC(C)C 34a_100011214890_100009817362 [1,1,0,0,0,0|2,0,0]=4 5075 B14R0.68 CC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000735457 [1,1,0,0,0,0|2,0,0]=4 5076 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100000735457_100011216152 [1,1,0,0,0,0|2,0,0]=4 5077 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000735457 [1,1,0,0,0,0|2,0,0]=4 5078 B14R0.68 CC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000685027 [1,1,0,0,0,0|2,0,0]=4 5079 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100000759063_100000210682 [1,1,0,0,0,0|2,0,0]=4 5080 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000685027 [1,1,0,0,0,0|2,0,0]=4 5081 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100000759063_100000210682 [1,1,0,0,0,0|2,0,0]=4 5082 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011215641 [1,1,0,0,0,0|2,0,0]=4 5083 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011215641 [1,1,0,0,0,0|2,0,0]=4 5084 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100011215641_100000210682 [1,1,0,0,0,0|2,0,0]=4 5085 B14R0.68 CC(C)CCCCCCCOCC(=O)N 34a_200000210741_100000187820 [1,1,0,0,0,0|2,0,0]=4 5086 B14R0.68 CC(C)CCCCCCCOCC(=O)N 7a_200000210741_100000187820 [1,1,0,0,0,0|2,0,0]=4 5087 B14R0.68 CC(C)CCCCCCCOCC(=O)[O-] 34a_200000210741_100020667443 [1,1,0,0,0,0|1,0,1]=4 5088 B14R0.68 CC(C)CCCCCCNCCC(=O)N 2230a_100000211014_100000744528 [1,1,0,0,0,0|2,0,0]=4 5089 B14R0.68 CC(C)CCCCCCNCCC(=O)N 34a_100000211014_100000731001 [1,1,0,0,0,0|2,0,0]=4 5090 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100000739312_100000210682 [1,1,0,0,0,0|2,0,0]=4 5091 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100011290863_100102525003 [1,1,0,0,0,0|2,0,0]=4 5092 B14R0.68 CC(C)CCCCCOCCCC(=O)N 34a_100011995859_100102525003 [1,1,0,0,0,0|2,0,0]=4 5093 B14R0.68 CC(C)CCCCCOCCCC(=O)N 7a_100011995859_100102525003 [1,1,0,0,0,0|2,0,0]=4 5094 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100000210682_100102525003 [1,1,0,0,0,0|2,0,0]=4 5095 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100102525003_100000210682 [1,1,0,0,0,0|2,0,0]=4 5096 B14R0.68 CC(C)CCCCNCCCCC(=O)N 34a_100000696515_100011216152 [1,1,0,0,0,0|2,0,0]=4 5097 B14R0.68 CC(C)CCCCNCCOCC(=O)O 269956a_100000700818_100011216152 [1,1,0,0,0,0|2,0,0]=4 5098 B14R0.68 CC(C)CCCCOCCCCC(=O)N 34a_100012022536_100011216152 [1,1,0,0,0,0|2,0,0]=4 5099 B14R0.68 CC(C)CCCCOCCCCC(=O)N 7a_100012022536_100011216152 [1,1,0,0,0,0|2,0,0]=4 5100 B14R0.68 CC(C)CCCNCCCCCC(=O)N 2230a_200000737386_100009817443 [1,1,0,0,0,0|2,0,0]=4 5101 B14R0.68 CC(C)CCCNCCCCCC(=O)N 34a_200000737386_100009817443 [1,1,0,0,0,0|2,0,0]=4 5102 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000123541_100011214892 [1,1,0,0,0,0|2,0,0]=4 5103 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000210774_100009817443 [1,1,0,0,0,0|2,0,0]=4 5104 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000123541_100011214892 [1,1,0,0,0,0|2,0,0]=4 5105 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000210774_100009817443 [1,1,0,0,0,0|2,0,0]=4 5106 B14R0.68 CC(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011214892 [1,1,0,0,0,0|1,0,1]=4 5107 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100009817443_100011214892 [1,1,0,0,0,0|2,0,0]=4 5108 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100011214892_100009817443 [1,1,0,0,0,0|2,0,0]=4 5109 B14R0.68 CC(O)CCCOCCCCCC(=O)N 34a_100000123541_200000718107 [1,1,0,0,0,0|2,0,0]=4 5110 B14R0.68 CC(O)CCCOCCCCCC(=O)N 7a_100000123541_200000718107 [1,1,0,0,0,0|2,0,0]=4 5111 B14R0.68 CC(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_200000718107 [1,1,0,0,0,0|1,0,1]=4 5112 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_100009817443_200000718107 [1,1,0,0,0,0|2,0,0]=4 5113 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_200000718107_100009817443 [1,1,0,0,0,0|2,0,0]=4 5114 B14R0.153 CC(=O)CCCCNC[C@H](C)CCCO 34a_100160569302_100009817362 [1,1,0,0,0,0|2,0,0]=4 5115 B14R0.153 CCCCC(C)CCCCOCC(=O)N 34a_200011021034_100000187820 [1,1,0,0,0,0|2,0,0]=4 5116 B14R0.153 CCCCC(C)CCCCOCC(=O)N 7a_200011021034_100000187820 [1,1,0,0,0,0|2,0,0]=4 5117 B14R0.153 CCCCC(C)CCCCOCC(=O)[O-] 34a_200011021034_100020667443 [1,1,0,0,0,0|1,0,1]=4 5118 B14R0.153 CCCCC(C)COCCCCC(=O)C 34a_100011995851_100009817362 [1,1,0,0,0,0|2,0,0]=4 5119 B14R0.153 CCCCC(C)COCCCCC(=O)C 7a_100011995851_100000735457 [1,1,0,0,0,0|2,0,0]=4 5120 B14R0.153 CCCCC(C)NCCCCCC(=O)N 2230a_100000126638_100009817443 [1,1,0,0,0,0|2,0,0]=4 5121 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011215066 [1,1,0,0,0,0|2,0,0]=4 5122 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000687866_100009817443 [1,1,0,0,0,0|2,0,0]=4 5123 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011215066 [1,1,0,0,0,0|2,0,0]=4 5124 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000687866_100009817443 [1,1,0,0,0,0|2,0,0]=4 5125 B14R0.153 CCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011215066 [1,1,0,0,0,0|1,0,1]=4 5126 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011215066 [1,1,0,0,0,0|2,0,0]=4 5127 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_200011215066_100009817443 [1,1,0,0,0,0|2,0,0]=4 5128 B14R0.153 CCCC[C@H](N)COCCCCC(=O)C 34a_100011934283_100009817362 [1,1,0,0,0,0|2,0,0]=4 5129 B14R0.231 CCCCCC(=O)CCCCCC(=O)N 1458a_100000212188_100009817443 [1,1,0,0,0,0|1,0,1]=4 5130 B14R0.231 CCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211708 [1,1,0,0,0,0|2,0,0]=4 5131 B14R0.231 CCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218191 [1,1,0,0,0,0|2,0,0]=4 5132 B14R0.231 CCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218191 [1,1,0,0,0,0|2,0,0]=4 5133 B14R0.231 CCCCCC(C)OCCCCC(=O)C 34a_100011215632_100009817362 [1,1,0,0,0,0|2,0,0]=4 5134 B14R0.231 CCCCCC(C)OCCCCC(=O)C 7a_100011215632_100000735457 [1,1,0,0,0,0|2,0,0]=4 5135 B14R0.231 CCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218191 [1,1,0,0,0,0|2,0,0]=4 5136 B14R0.231 CCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218191 [1,1,0,0,0,0|2,0,0]=4 5137 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218191 [1,1,0,0,0,0|2,0,0]=4 5138 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_200011218191_100000735457 [1,1,0,0,0,0|2,0,0]=4 5139 B14R0.231 CCCCCN(C)CCCCCC(=O)N 2230a_100000223495_100009817443 [1,1,0,0,0,0|2,0,0]=4 5140 B14R0.231 CCCCCN(C)CCCCCC(=O)N 269982a_100000223495_100009817443 [1,1,0,0,0,0|2,0,0]=4 5141 B14R0.231 CN(CCCCO)CCCCCC(=O)N 2230a_100000717598_100009817443 [1,1,0,0,0,0|2,0,0]=4 5142 B14R0.231 CN(CCCCO)CCCCCC(=O)N 269982a_100000717598_100009817443 [1,1,0,0,0,0|2,0,0]=4 5143 B14R0.231 NC(=O)CCCCCC(=O)CCCCO 1458a_100000695505_100009817443 [1,1,0,0,0,0|1,0,1]=4 5144 B14R0.305 CC(CO)CCNCCCCCC(=O)N 2230a_106354213184_100009817443 [1,1,0,0,0,0|2,0,0]=4 5145 B14R0.305 CC(CO)CCNCCCCCC(=O)N 34a_106354213184_100009817443 [1,1,0,0,0,0|2,0,0]=4 5146 B14R0.305 CCC(C)CCCCCOCCC(=O)C 7a_200000035636_100000053229 [1,1,0,0,0,0|2,0,0]=4 5147 B14R0.305 CCC(C)CCCCCOCCC(=O)N 7a_200000035636_100000744528 [1,1,0,0,0,0|2,0,0]=4 5148 B14R0.305 CCC(C)CCCOCCCCC(=O)C 7a_100011216074_100000735457 [1,1,0,0,0,0|2,0,0]=4 5149 B14R0.305 CCC(C)CCNCCCCCC(=O)N 2230a_100020591266_100009817443 [1,1,0,0,0,0|2,0,0]=4 5150 B14R0.305 CCC(C)CCOCCCCCC(=O)N 7a_100011215188_100009817443 [1,1,0,0,0,0|2,0,0]=4 5151 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [1,1,0,0,0,0|1,0,0]=3 5152 B14R0.337 C#CC(=O)CCCCCCCCCCO 1458a_100000211873_100009813290 [1,1,0,0,0,0|1,0,0]=3 5153 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [1,1,0,0,0,0|1,0,0]=3 5154 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [1,1,0,0,0,0|1,0,0]=3 5155 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [1,1,0,0,0,0|2,0,0]=4 5156 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [1,1,0,0,0,0|2,0,0]=4 5157 B14R0.337 C=CC(=O)NCCCCCCCCCO 240690a_100000078944_200121576911 [1,1,0,0,0,0|2,0,0]=4 5158 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [1,1,0,0,0,0|0,0,2]=4 5159 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [1,1,0,0,0,0|1,0,0]=3 5160 B14R0.337 CCC(=O)COCCCCCCCCO 34a_100000725409_100000033203 [1,1,0,0,0,0|2,0,0]=4 5161 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000033203_100000747405 [1,1,0,0,0,0|2,0,0]=4 5162 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000747405_100000033203 [1,1,0,0,0,0|2,0,0]=4 5163 B14R0.337 CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210414 [1,1,0,0,0,0|2,0,0]=4 5164 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [1,1,0,0,0,0|1,0,0]=3 5165 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [1,1,0,0,0,0|1,0,0]=3 5166 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [1,1,0,0,0,0|1,0,0]=3 5167 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [1,1,0,0,0,0|0,0,0]=2 5168 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [1,1,0,0,0,0|1,0,0]=3 5169 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [1,1,0,0,0,0|1,0,0]=3 5170 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [1,1,0,0,0,0|1,0,0]=3 5171 B14R0.337 CCCCCCCCCCCC(C)OC 34a_100011217895_200000210301 [1,1,0,0,0,0|1,0,1]=4 5172 B14R0.337 CCCCCCCCCCCC(C)OC 7a_100011217895_200000210301 [1,1,0,0,0,0|1,0,1]=4 5173 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 34a_100011217895_200025704644 [1,1,0,0,0,0|1,0,1]=4 5174 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 7a_100011217895_200025704644 [1,1,0,0,0,0|1,0,1]=4 5175 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 5176 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 5177 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 5178 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [1,1,0,0,0,0|2,0,0]=4 5179 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [1,1,0,0,0,0|1,0,0]=3 5180 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [1,1,0,0,0,0|1,0,0]=3 5181 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [1,1,0,0,0,0|2,0,0]=4 5182 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [1,1,0,0,0,0|2,0,0]=4 5183 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [1,1,0,0,0,0|2,0,0]=4 5184 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [1,1,0,0,0,0|2,0,0]=4 5185 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [1,1,0,0,0,0|2,0,0]=4 5186 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [1,1,0,0,0,0|2,0,0]=4 5187 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [1,1,0,0,0,0|2,0,0]=4 5188 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [1,1,0,0,0,0|2,0,0]=4 5189 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [1,1,0,0,0,0|2,0,0]=4 5190 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [1,1,0,0,0,0|1,0,0]=3 5191 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [1,1,0,0,0,0|1,0,0]=3 5192 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [1,1,0,0,0,0|2,0,0]=4 5193 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [1,1,0,0,0,0|2,0,0]=4 5194 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [1,1,0,0,0,0|2,0,0]=4 5195 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [1,1,0,0,0,0|2,0,0]=4 5196 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [1,1,0,0,0,0|2,0,0]=4 5197 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [1,1,0,0,0,0|1,0,0]=3 5198 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [1,1,0,0,0,0|1,0,0]=3 5199 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [1,1,0,0,0,0|2,0,0]=4 5200 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [1,1,0,0,0,0|2,0,0]=4 5201 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [1,1,0,0,0,0|1,0,0]=3 5202 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [1,1,0,0,0,0|2,0,0]=4 5203 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [1,1,0,0,0,0|2,0,0]=4 5204 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [1,1,0,0,0,0|2,0,0]=4 5205 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [1,1,0,0,0,0|2,0,0]=4 5206 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [1,1,0,0,0,0|1,0,0]=3 5207 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [1,1,0,0,0,0|1,0,0]=3 5208 B14R0.337 CCCCCCCCOCCC(=NO)N 34a_100000749954_100000210759 [1,1,0,0,0,0|2,0,0]=4 5209 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [1,1,0,0,0,0|2,0,0]=4 5210 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [1,1,0,0,0,0|2,0,0]=4 5211 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [1,1,0,0,0,0|2,0,0]=4 5212 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [1,1,0,0,0,0|1,0,0]=3 5213 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [1,1,0,0,0,0|1,0,0]=3 5214 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [1,1,0,0,0,0|2,0,0]=4 5215 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [1,1,0,0,0,0|2,0,0]=4 5216 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [1,1,0,0,0,0|1,0,0]=3 5217 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [1,1,0,0,0,0|1,0,0]=3 5218 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [1,1,0,0,0,0|2,0,0]=4 5219 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [1,1,0,0,0,0|2,0,0]=4 5220 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [1,1,0,0,0,0|2,0,0]=4 5221 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [1,1,0,0,0,0|2,0,0]=4 5222 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [1,1,0,0,0,0|1,0,0]=3 5223 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [1,1,0,0,0,0|2,0,0]=4 5224 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [1,1,0,0,0,0|2,0,0]=4 5225 B14R0.337 CCCCCCCOCCCC(=O)NN 34a_100000211488_100000210614 [1,1,0,0,0,0|2,0,0]=4 5226 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [1,1,0,0,0,0|1,0,0]=3 5227 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [1,1,0,0,0,0|1,0,0]=3 5228 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [1,1,0,0,0,0|2,0,0]=4 5229 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [1,1,0,0,0,0|2,0,0]=4 5230 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [1,1,0,0,0,0|2,0,0]=4 5231 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [1,1,0,0,0,0|2,0,0]=4 5232 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [1,1,0,0,0,0|1,0,0]=3 5233 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [1,1,0,0,0,0|1,0,0]=3 5234 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [1,1,0,0,0,0|1,0,0]=3 5235 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [1,1,0,0,0,0|2,0,0]=4 5236 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [1,1,0,0,0,0|1,0,0]=3 5237 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [1,1,0,0,0,0|1,0,0]=3 5238 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [1,1,0,0,0,0|1,0,0]=3 5239 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [1,1,0,0,0,0|1,0,0]=3 5240 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [1,1,0,0,0,0|2,0,0]=4 5241 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [1,1,0,0,0,0|2,0,0]=4 5242 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [1,1,0,0,0,0|2,0,0]=4 5243 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [1,1,0,0,0,0|2,0,0]=4 5244 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [1,1,0,0,0,0|1,0,0]=3 5245 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [1,1,0,0,0,0|1,0,0]=3 5246 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [1,1,0,0,0,0|2,0,0]=4 5247 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [1,1,0,0,0,0|2,0,0]=4 5248 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [1,1,0,0,0,0|1,0,0]=3 5249 B14R0.337 CCCCCNCCOCCC(=O)OC 34a_100000224656_100000742370 [1,1,0,0,0,0|2,0,0]=4 5250 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [1,1,0,0,0,0|1,0,0]=3 5251 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [1,1,0,0,0,0|1,0,0]=3 5252 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [1,1,0,0,0,0|1,0,0]=3 5253 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [1,1,0,0,0,0|1,0,0]=3 5254 B14R0.337 CCCCCOCCOCCC(=O)OC 34a_100011215259_100000742370 [1,1,0,0,0,0|2,0,0]=4 5255 B14R0.337 CCCCCOCCOCCC(=O)OC 7a_100011215259_100000204255 [1,1,0,0,0,0|2,0,0]=4 5256 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [1,1,0,0,0,0|1,0,0]=3 5257 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [1,1,0,0,0,0|1,0,0]=3 5258 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [1,1,0,0,0,0|1,0,0]=3 5259 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [1,1,0,0,0,0|1,0,0]=3 5260 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [1,1,0,0,0,0|2,0,0]=4 5261 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [1,1,0,0,0,0|1,0,0]=3 5262 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [1,1,0,0,0,0|1,0,0]=3 5263 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [1,1,0,0,0,0|1,0,0]=3 5264 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [1,1,0,0,0,0|1,0,0]=3 5265 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [1,1,0,0,0,0|2,0,0]=4 5266 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [1,1,0,0,0,0|2,0,0]=4 5267 B14R0.337 CCCCOCCCNCCC(=O)OC 2230a_200000211371_100000204255 [1,1,0,0,0,0|2,0,0]=4 5268 B14R0.337 CCCCOCCCNCCC(=O)OC 34a_200000211371_100000742370 [1,1,0,0,0,0|2,0,0]=4 5269 B14R0.337 CCCCOCCCOCCC(=O)OC 34a_200011215613_100000742370 [1,1,0,0,0,0|2,0,0]=4 5270 B14R0.337 CCCCOCCCOCCC(=O)OC 7a_200011215613_100000204255 [1,1,0,0,0,0|2,0,0]=4 5271 B14R0.337 CCCCOCCOCCCC(=O)OC 34a_100000210238_100000742333 [1,1,0,0,0,0|2,0,0]=4 5272 B14R0.337 CCCCOCCOCCCC(=O)OC 7a_100000210238_100011218270 [1,1,0,0,0,0|2,0,0]=4 5273 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100000743108_100011218270 [1,1,0,0,0,0|2,0,0]=4 5274 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100011218270_100000743108 [1,1,0,0,0,0|2,0,0]=4 5275 B14R0.337 CCCCOCOCCCCC(=O)OC 34a_100000059025_100011995733 [1,1,0,0,0,0|2,0,0]=4 5276 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100000204269_100011995733 [1,1,0,0,0,0|2,0,0]=4 5277 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100011995733_100000204269 [1,1,0,0,0,0|2,0,0]=4 5278 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [1,1,0,0,0,0|1,0,0]=3 5279 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [1,1,0,0,0,0|1,0,0]=3 5280 B14R0.337 CCCCSCCNCCCC(=O)OC 2230a_100025743550_100011218270 [1,1,0,0,0,0|2,0,0]=4 5281 B14R0.337 CCCCSCCOCCCC(=O)OC 34a_200000230436_100000742333 [1,1,0,0,0,0|2,0,0]=4 5282 B14R0.337 CCCCSCCOCCCC(=O)OC 7a_200000230436_100011218270 [1,1,0,0,0,0|2,0,0]=4 5283 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [1,1,0,0,0,0|1,0,0]=3 5284 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [1,1,0,0,0,0|1,0,0]=3 5285 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [1,1,0,0,0,0|1,0,0]=3 5286 B14R0.337 CCCOCCCNCCCC(=O)OC 2230a_100011217757_100011218270 [1,1,0,0,0,0|2,0,0]=4 5287 B14R0.337 CCCOCCCNCCCC(=O)OC 34a_100011217757_100000742333 [1,1,0,0,0,0|2,0,0]=4 5288 B14R0.337 CCCOCCNCCCCC(=O)OC 2230a_100161115042_100000204269 [1,1,0,0,0,0|2,0,0]=4 5289 B14R0.337 CCCOCCNCCCCC(=O)OC 34a_100161115042_100000204269 [1,1,0,0,0,0|2,0,0]=4 5290 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000059025_100011215938 [1,1,0,0,0,0|2,0,0]=4 5291 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000752267_100000204269 [1,1,0,0,0,0|2,0,0]=4 5292 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000059025_100011215938 [1,1,0,0,0,0|2,0,0]=4 5293 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000752267_100000204269 [1,1,0,0,0,0|2,0,0]=4 5294 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100000204269_100011215938 [1,1,0,0,0,0|2,0,0]=4 5295 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100011215938_100000204269 [1,1,0,0,0,0|2,0,0]=4 5296 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [1,1,0,0,0,0|1,0,0]=3 5297 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [1,1,0,0,0,0|1,0,0]=3 5298 B14R0.337 CCCSCCNCCCCC(=O)OC 2230a_100020603323_100000204269 [1,1,0,0,0,0|2,0,0]=4 5299 B14R0.337 CCCSCCOCCCCC(=O)OC 34a_200000230433_100000204269 [1,1,0,0,0,0|2,0,0]=4 5300 B14R0.337 CCCSCCOCCCCC(=O)OC 7a_200000230433_100000204269 [1,1,0,0,0,0|2,0,0]=4 5301 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [1,1,0,0,0,0|1,0,0]=3 5302 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [1,1,0,0,0,0|1,0,0]=3 5303 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [1,1,0,0,0,0|1,0,0]=3 5304 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [1,1,0,0,0,0|1,0,0]=3 5305 B14R0.337 CCOCCCNCCCCC(=O)OC 2230a_100000210961_100000204269 [1,1,0,0,0,0|2,0,0]=4 5306 B14R0.337 CCOCCCNCCCCC(=O)OC 34a_100000210961_100000204269 [1,1,0,0,0,0|2,0,0]=4 5307 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000059025_100012232248 [1,1,0,0,0,0|2,0,0]=4 5308 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000757476_100000204269 [1,1,0,0,0,0|2,0,0]=4 5309 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000059025_100012232248 [1,1,0,0,0,0|2,0,0]=4 5310 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000757476_100000204269 [1,1,0,0,0,0|2,0,0]=4 5311 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100000204269_100012232248 [1,1,0,0,0,0|2,0,0]=4 5312 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100012232248_100000204269 [1,1,0,0,0,0|2,0,0]=4 5313 B14R0.337 CCOCCNCCCCCC(=O)OC 2230a_102516460346_100009816466 [1,1,0,0,0,0|2,0,0]=4 5314 B14R0.337 CCOCCNCCCCCC(=O)OC 34a_102516460346_100009816466 [1,1,0,0,0,0|2,0,0]=4 5315 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000074720_100000210147 [1,1,0,0,0,0|2,0,0]=4 5316 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000210136_100009816466 [1,1,0,0,0,0|2,0,0]=4 5317 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000074720_100011215890 [1,1,0,0,0,0|2,0,0]=4 5318 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000210136_100009816466 [1,1,0,0,0,0|2,0,0]=4 5319 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100000210147_100009816466 [1,1,0,0,0,0|2,0,0]=4 5320 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100009816466_100011215890 [1,1,0,0,0,0|2,0,0]=4 5321 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100000739092_100009815986 [1,1,0,0,0,0|2,0,0]=4 5322 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100009815986_100000739092 [1,1,0,0,0,0|2,0,0]=4 5323 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [1,1,0,0,0,0|1,0,0]=3 5324 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [1,1,0,0,0,0|1,0,0]=3 5325 B14R0.337 CCSCCCOCCCCC(=O)OC 34a_100011216438_100000204269 [1,1,0,0,0,0|2,0,0]=4 5326 B14R0.337 CCSCCCOCCCCC(=O)OC 7a_100011216438_100000204269 [1,1,0,0,0,0|2,0,0]=4 5327 B14R0.337 CCSCCNCCCCCC(=O)OC 2230a_100000106463_100009816466 [1,1,0,0,0,0|2,0,0]=4 5328 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000074720_100000757381 [1,1,0,0,0,0|2,0,0]=4 5329 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000212035_100009816466 [1,1,0,0,0,0|2,0,0]=4 5330 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000074720_100000757381 [1,1,0,0,0,0|2,0,0]=4 5331 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000212035_100009816466 [1,1,0,0,0,0|2,0,0]=4 5332 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100000757381_100009816466 [1,1,0,0,0,0|2,0,0]=4 5333 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100009816466_100000757381 [1,1,0,0,0,0|2,0,0]=4 5334 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [1,1,0,0,0,0|1,0,0]=3 5335 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000686447_100000741757 [1,1,0,0,0,0|2,0,0]=4 5336 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000740002_100000766143 [1,1,0,0,0,0|2,0,0]=4 5337 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000686447_100000741757 [1,1,0,0,0,0|2,0,0]=4 5338 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000740002_100000766143 [1,1,0,0,0,0|2,0,0]=4 5339 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000741757_100000766143 [1,1,0,0,0,0|2,0,0]=4 5340 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000766143_100000741757 [1,1,0,0,0,0|2,0,0]=4 5341 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100000738227_100000760002 [1,1,0,0,0,0|2,0,0]=4 5342 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100011996573_100000737683 [1,1,0,0,0,0|2,0,0]=4 5343 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100000738227_100000760002 [1,1,0,0,0,0|2,0,0]=4 5344 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100011996573_100012179268 [1,1,0,0,0,0|2,0,0]=4 5345 B14R0.337 CNC(=O)CCOCCCCCCCO 34a_100000754576_100000760002 [1,1,0,0,0,0|2,0,0]=4 5346 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000737683_100000760002 [1,1,0,0,0,0|2,0,0]=4 5347 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000760002_100000737683 [1,1,0,0,0,0|2,0,0]=4 5348 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_100000693194_100000033203 [1,1,0,0,0,0|2,0,0]=4 5349 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183359 [1,1,0,0,0,0|2,0,0]=4 5350 B14R0.337 CNC(=O)CNCCCCCCCCO 34a_102515433106_100000183359 [1,1,0,0,0,0|2,0,0]=4 5351 B14R0.337 CNC(=O)COCCCCCCCCO 34a_100000750040_100000033203 [1,1,0,0,0,0|2,0,0]=4 5352 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000033203_100000183359 [1,1,0,0,0,0|2,0,0]=4 5353 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000183359_100000033203 [1,1,0,0,0,0|2,0,0]=4 5354 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100000078944_106832991635 [1,1,0,0,0,0|2,0,0]=4 5355 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100102657272_100000078944 [1,1,0,0,0,0|2,0,0]=4 5356 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100000078944_100102657272 [1,1,0,0,0,0|2,0,0]=4 5357 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100102657272_100000078944 [1,1,0,0,0,0|2,0,0]=4 5358 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_100000078944_100102657272 [1,1,0,0,0,0|2,0,0]=4 5359 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_106832991638_100000078944 [1,1,0,0,0,0|2,0,0]=4 5360 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [1,1,0,0,0,0|1,0,0]=3 5361 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [1,1,0,0,0,0|1,0,0]=3 5362 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [1,1,0,0,0,0|1,0,0]=3 5363 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [1,1,0,0,0,0|2,0,0]=4 5364 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [1,1,0,0,0,0|2,0,0]=4 5365 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [1,1,0,0,0,0|1,0,0]=3 5366 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [1,1,0,0,0,0|1,0,0]=3 5367 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [1,1,0,0,0,0|2,0,0]=4 5368 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [1,1,0,0,0,0|2,0,0]=4 5369 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [1,1,0,0,0,0|2,0,0]=4 5370 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [1,1,0,0,0,0|2,0,0]=4 5371 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [1,1,0,0,0,0|2,0,0]=4 5372 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [1,1,0,0,0,0|1,0,0]=3 5373 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [1,1,0,0,0,0|1,0,0]=3 5374 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [1,1,0,0,0,0|2,0,0]=4 5375 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [1,1,0,0,0,0|2,0,0]=4 5376 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [1,1,0,0,0,0|2,0,0]=4 5377 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [1,1,0,0,0,0|2,0,0]=4 5378 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [1,1,0,0,0,0|1,0,0]=3 5379 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [1,1,0,0,0,0|1,0,0]=3 5380 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [1,1,0,0,0,0|2,0,0]=4 5381 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [1,1,0,0,0,0|2,0,0]=4 5382 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [1,1,0,0,0,0|2,0,0]=4 5383 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [1,1,0,0,0,0|1,0,0]=3 5384 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [1,1,0,0,0,0|1,0,0]=3 5385 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [1,1,0,0,0,0|2,0,0]=4 5386 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [1,1,0,0,0,0|2,0,0]=4 5387 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [1,1,0,0,0,0|2,0,0]=4 5388 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [1,1,0,0,0,0|2,0,0]=4 5389 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [1,1,0,0,0,0|2,0,0]=4 5390 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [1,1,0,0,0,0|2,0,0]=4 5391 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [1,1,0,0,0,0|2,0,0]=4 5392 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [1,1,0,0,0,0|2,0,0]=4 5393 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [1,1,0,0,0,0|2,0,0]=4 5394 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [1,1,0,0,0,0|2,0,0]=4 5395 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [1,1,0,0,0,0|2,0,0]=4 5396 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [1,1,0,0,0,0|1,0,0]=3 5397 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [1,1,0,0,0,0|1,0,0]=3 5398 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [1,1,0,0,0,0|2,0,0]=4 5399 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [1,1,0,0,0,0|2,0,0]=4 5400 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [1,1,0,0,0,0|2,0,0]=4 5401 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [1,1,0,0,0,0|2,0,0]=4 5402 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [1,1,0,0,0,0|2,0,0]=4 5403 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [1,1,0,0,0,0|2,0,0]=4 5404 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [1,1,0,0,0,0|1,0,0]=3 5405 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [1,1,0,0,0,0|1,0,0]=3 5406 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [1,1,0,0,0,0|2,0,0]=4 5407 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [1,1,0,0,0,0|2,0,0]=4 5408 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [1,1,0,0,0,0|1,0,0]=3 5409 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [1,1,0,0,0,0|1,0,0]=3 5410 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [1,1,0,0,0,0|2,0,0]=4 5411 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [1,1,0,0,0,0|2,0,0]=4 5412 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [1,1,0,0,0,0|2,0,0]=4 5413 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [1,1,0,0,0,0|2,0,0]=4 5414 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [1,1,0,0,0,0|2,0,0]=4 5415 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [1,1,0,0,0,0|2,0,0]=4 5416 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [1,1,0,0,0,0|2,0,0]=4 5417 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [1,1,0,0,0,0|2,0,0]=4 5418 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [1,1,0,0,0,0|2,0,0]=4 5419 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [1,1,0,0,0,0|2,0,0]=4 5420 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [1,1,0,0,0,0|1,0,0]=3 5421 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [1,1,0,0,0,0|1,0,0]=3 5422 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [1,1,0,0,0,0|2,0,0]=4 5423 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [1,1,0,0,0,0|2,0,0]=4 5424 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [1,1,0,0,0,0|2,0,0]=4 5425 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [1,1,0,0,0,0|2,0,0]=4 5426 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [1,1,0,0,0,0|1,0,0]=3 5427 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [1,1,0,0,0,0|1,0,0]=3 5428 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [1,1,0,0,0,0|1,0,0]=3 5429 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [1,1,0,0,0,0|1,0,0]=3 5430 B14R0.337 COC(=O)CCCCNCCOCCO 2230a_100000211614_100000204269 [1,1,0,0,0,0|2,0,0]=4 5431 B14R0.337 COC(=O)CCCCNCCOCCO 34a_100000211614_100000204269 [1,1,0,0,0,0|2,0,0]=4 5432 B14R0.337 COC(=O)CCCCNCCSCCO 2230a_100011219999_100000204269 [1,1,0,0,0,0|2,0,0]=4 5433 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [1,1,0,0,0,0|2,0,0]=4 5434 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [1,1,0,0,0,0|2,0,0]=4 5435 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [1,1,0,0,0,0|2,0,0]=4 5436 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [1,1,0,0,0,0|2,0,0]=4 5437 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [1,1,0,0,0,0|2,0,0]=4 5438 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [1,1,0,0,0,0|2,0,0]=4 5439 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [1,1,0,0,0,0|2,0,0]=4 5440 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [1,1,0,0,0,0|2,0,0]=4 5441 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [1,1,0,0,0,0|2,0,0]=4 5442 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [1,1,0,0,0,0|1,0,0]=3 5443 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [1,1,0,0,0,0|1,0,0]=3 5444 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [1,1,0,0,0,0|2,0,0]=4 5445 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [1,1,0,0,0,0|2,0,0]=4 5446 B14R0.337 COC(=O)CCCCOCCOCCO 34a_100000059025_100000692535 [1,1,0,0,0,0|2,0,0]=4 5447 B14R0.337 COC(=O)CCCCOCCOCCO 7a_100000059025_100011215305 [1,1,0,0,0,0|2,0,0]=4 5448 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [1,1,0,0,0,0|2,0,0]=4 5449 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [1,1,0,0,0,0|2,0,0]=4 5450 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [1,1,0,0,0,0|1,0,0]=3 5451 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [1,1,0,0,0,0|1,0,0]=3 5452 B14R0.337 COC(=O)CCCCSCCOCCO 62a_100000204269_100011215305 [1,1,0,0,0,0|2,0,0]=4 5453 B14R0.337 COC(=O)CCCCSCCOCCO 62a_100011215305_100000204269 [1,1,0,0,0,0|2,0,0]=4 5454 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [1,1,0,0,0,0|1,0,0]=3 5455 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [1,1,0,0,0,0|1,0,0]=3 5456 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [1,1,0,0,0,0|2,0,0]=4 5457 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [1,1,0,0,0,0|2,0,0]=4 5458 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [1,1,0,0,0,0|2,0,0]=4 5459 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [1,1,0,0,0,0|2,0,0]=4 5460 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [1,1,0,0,0,0|2,0,0]=4 5461 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [1,1,0,0,0,0|2,0,0]=4 5462 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [1,1,0,0,0,0|2,0,0]=4 5463 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [1,1,0,0,0,0|2,0,0]=4 5464 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [1,1,0,0,0,0|2,0,0]=4 5465 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [1,1,0,0,0,0|1,0,0]=3 5466 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [1,1,0,0,0,0|1,0,0]=3 5467 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [1,1,0,0,0,0|1,0,0]=3 5468 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [1,1,0,0,0,0|1,0,0]=3 5469 B14R0.337 COC(=O)CCNCCCOCCCO 2230a_100011310245_100000204255 [1,1,0,0,0,0|2,0,0]=4 5470 B14R0.337 COC(=O)CCNCCCOCCCO 34a_100011310245_100000742370 [1,1,0,0,0,0|2,0,0]=4 5471 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [1,1,0,0,0,0|2,0,0]=4 5472 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [1,1,0,0,0,0|2,0,0]=4 5473 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [1,1,0,0,0,0|2,0,0]=4 5474 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [1,1,0,0,0,0|1,0,0]=3 5475 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [1,1,0,0,0,0|1,0,0]=3 5476 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [1,1,0,0,0,0|1,0,0]=3 5477 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [1,1,0,0,0,0|1,0,0]=3 5478 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [1,1,0,0,0,0|2,0,0]=4 5479 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [1,1,0,0,0,0|2,0,0]=4 5480 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [1,1,0,0,0,0|2,0,0]=4 5481 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [1,1,0,0,0,0|2,0,0]=4 5482 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [1,1,0,0,0,0|2,0,0]=4 5483 B14R0.337 COC(=O)COCCNCCCCCO 2230a_100000762737_100000090808 [1,1,0,0,0,0|2,0,0]=4 5484 B14R0.337 COC(=O)COCCNCCCCCO 34a_100000762737_100000090808 [1,1,0,0,0,0|2,0,0]=4 5485 B14R0.337 COC(=O)COCCSCCCCCO 62a_100000090808_100000746330 [1,1,0,0,0,0|2,0,0]=4 5486 B14R0.337 COC(=O)COCCSCCCCCO 62a_100000746330_100000090808 [1,1,0,0,0,0|2,0,0]=4 5487 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [1,1,0,0,0,0|1,0,0]=3 5488 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [1,1,0,0,0,0|1,0,0]=3 5489 B14R0.337 COC(=O)NCCOCCCCCCO 34a_100000757965_100000766143 [1,1,0,0,0,0|2,0,0]=4 5490 B14R0.337 COC(=O)OCCOCCCCCCO 34a_100010262106_100000766143 [1,1,0,0,0,0|2,0,0]=4 5491 B14R0.337 COC(=O)OCSCCCCCCCO 62a_100000760002_100000139417 [1,1,0,0,0,0|2,0,0]=4 5492 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [1,1,0,0,0,0|1,0,0]=3 5493 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [1,1,0,0,0,0|2,0,0]=4 5494 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [1,1,0,0,0,0|2,0,0]=4 5495 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [1,1,0,0,0,0|2,0,0]=4 5496 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [1,1,0,0,0,0|2,0,0]=4 5497 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [1,1,0,0,0,0|2,0,0]=4 5498 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [1,1,0,0,0,0|2,0,0]=4 5499 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [1,1,0,0,0,0|2,0,0]=4 5500 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [1,1,0,0,0,0|2,0,0]=4 5501 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [1,1,0,0,0,0|2,0,0]=4 5502 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [1,1,0,0,0,0|2,0,0]=4 5503 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [1,1,0,0,0,0|2,0,0]=4 5504 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [1,1,0,0,0,0|2,0,0]=4 5505 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [1,1,0,0,0,0|2,0,0]=4 5506 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [1,1,0,0,0,0|2,0,0]=4 5507 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [1,1,0,0,0,0|2,0,0]=4 5508 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [1,1,0,0,0,0|2,0,0]=4 5509 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [1,1,0,0,0,0|2,0,0]=4 5510 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [1,1,0,0,0,0|2,0,0]=4 5511 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [1,1,0,0,0,0|2,0,0]=4 5512 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [1,1,0,0,0,0|2,0,0]=4 5513 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [1,1,0,0,0,0|2,0,0]=4 5514 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [1,1,0,0,0,0|2,0,0]=4 5515 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [1,1,0,0,0,0|2,0,0]=4 5516 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [1,1,0,0,0,0|2,0,0]=4 5517 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [1,1,0,0,0,0|2,0,0]=4 5518 B14R0.337 NC(=NO)CCOCCCCCCCO 34a_100000749954_100000760002 [1,1,0,0,0,0|2,0,0]=4 5519 B14R0.337 NNC(=O)CCCOCCCCCCO 34a_100000211488_100000766143 [1,1,0,0,0,0|2,0,0]=4 5520 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [1,1,0,0,0,0|0,0,0]=2 5521 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [1,1,0,0,0,0|1,0,0]=3 5522 B14R0.340 CC(=O)C(C)COCCCCCCCO 34a_100000032740_100000760002 [1,1,0,0,0,0|2,0,0]=4 5523 B14R0.340 CC(=O)C(C)COCCCCCCCO 7a_100000032740_100000760002 [1,1,0,0,0,0|2,0,0]=4 5524 B14R0.340 CC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100009814033 [1,1,0,0,0,0|2,0,0]=4 5525 B14R0.340 CC(=O)C(C)OCCCCCCCCO 34a_100000212229_100000033203 [1,1,0,0,0,0|2,0,0]=4 5526 B14R0.340 CC(=O)C(C)SCCCCCCCCO 62a_100000033203_100009814033 [1,1,0,0,0,0|2,0,0]=4 5527 B14R0.340 CC(=O)C(C)SCCCCCCCCO 62a_100009814033_100000033203 [1,1,0,0,0,0|2,0,0]=4 5528 B14R0.340 CC(CNCCCCCCCO)C(=O)O 269956a_100000749485_100000760002 [1,1,0,0,0,0|1,0,0]=3 5529 B14R0.340 CC(NCCCCCCCCO)C(=O)N 2230a_102515433106_100000702099 [1,1,0,0,0,0|2,0,0]=4 5530 B14R0.340 CC(NCCCCCCCCO)C(=O)N 34a_102515433106_100000702099 [1,1,0,0,0,0|2,0,0]=4 5531 B14R0.340 CC(SCCCCCCCCO)C(=O)N 62a_100000033203_100000702099 [1,1,0,0,0,0|2,0,0]=4 5532 B14R0.340 CC(SCCCCCCCCO)C(=O)N 62a_100000702099_100000033203 [1,1,0,0,0,0|2,0,0]=4 5533 B14R0.340 CCCCCCCCCCN(C)C(=O)C 11a_100000207566_100015343762 [1,1,0,0,0,0|2,0,0]=4 5534 B14R0.340 CCCCCCCCCCN(C)C(=O)C 1626a_100000207566_100015343762 [1,1,0,0,0,0|2,0,0]=4 5535 B14R0.340 CCCCCCCCCCN(C)C(=O)C 240690a_100000207566_100015343762 [1,1,0,0,0,0|2,0,0]=4 5536 B14R0.340 CCCCCCCCCCN(C)C(=O)C 527a_100000207566_100103153847 [1,1,0,0,0,0|2,0,0]=4 5537 B14R0.340 CCCCCCCCCNC(C)C(=O)C 2230a_100000212291_100009814033 [1,1,0,0,0,0|2,0,0]=4 5538 B14R0.340 CCCCCCCCCNC(C)C(=O)N 2230a_100000212291_100000702099 [1,1,0,0,0,0|2,0,0]=4 5539 B14R0.340 CCCCCCCCCNC(C)C(=O)N 34a_100000212291_100000702099 [1,1,0,0,0,0|2,0,0]=4 5540 B14R0.340 CCCCCCCCCNC(F)C(=O)N 2230a_100000212291_100009813875 [1,1,0,0,0,0|2,0,0]=4 5541 B14R0.340 CCCCCCCCCNC(F)C(=O)N 34a_100000212291_100009813875 [1,1,0,0,0,0|2,0,0]=4 5542 B14R0.340 CCCCCCCCCNC(F)C(=O)[O-] 34a_100000212291_100020610796 [1,1,0,0,0,0|1,0,1]=4 5543 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [1,1,0,0,0,0|1,0,0]=3 5544 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011214924 [1,1,0,0,0,0|2,0,0]=4 5545 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011214924 [1,1,0,0,0,0|2,0,0]=4 5546 B14R0.340 CCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011214924 [1,1,0,0,0,0|2,0,0]=4 5547 B14R0.340 CCCCCCCCCOC(C)C(=O)C 7a_100000210712_100000179758 [1,1,0,0,0,0|2,0,0]=4 5548 B14R0.340 CCCCCCCCCOC(C)C(=O)N 34a_100000210712_100000702099 [1,1,0,0,0,0|2,0,0]=4 5549 B14R0.340 CCCCCCCCCOC(C)C(=O)N 7a_100000210712_100000702099 [1,1,0,0,0,0|2,0,0]=4 5550 B14R0.340 CCCCCCCCCOC(F)C(=O)N 34a_100000210712_100009813875 [1,1,0,0,0,0|2,0,0]=4 5551 B14R0.340 CCCCCCCCCOC(F)C(=O)N 7a_100000210712_100009813875 [1,1,0,0,0,0|2,0,0]=4 5552 B14R0.340 CCCCCCCCCOC(F)C(=O)[O-] 34a_100000210712_100020610796 [1,1,0,0,0,0|1,0,1]=4 5553 B14R0.340 CCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210328 [1,1,0,0,0,0|1,0,1]=4 5554 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011214924 [1,1,0,0,0,0|2,0,0]=4 5555 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210328 [1,1,0,0,0,0|2,0,0]=4 5556 B14R0.340 CCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210670 [1,1,0,0,0,0|2,0,0]=4 5557 B14R0.340 CCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210670 [1,1,0,0,0,0|2,0,0]=4 5558 B14R0.340 CCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210670 [1,1,0,0,0,0|2,0,0]=4 5559 B14R0.340 CCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210670 [1,1,0,0,0,0|1,0,1]=4 5560 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [1,1,0,0,0,0|1,0,0]=3 5561 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [1,1,0,0,0,0|1,0,0]=3 5562 B14R0.340 CCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210759 [1,1,0,0,0,0|2,0,0]=4 5563 B14R0.340 CCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210759 [1,1,0,0,0,0|2,0,0]=4 5564 B14R0.340 CCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210759 [1,1,0,0,0,0|2,0,0]=4 5565 B14R0.340 COCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011998445 [1,1,0,0,0,0|2,0,0]=4 5566 B14R0.340 COCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011998445 [1,1,0,0,0,0|2,0,0]=4 5567 B14R0.340 C[C@@H](NCCCCCCCCO)C(=O)N 2230a_100000119354_100000033203 [1,1,0,0,0,0|2,0,0]=4 5568 B14R0.340 C[C@@H](NCCCCCCCCO)C(=O)N 34a_100000119354_100000033203 [1,1,0,0,0,0|2,0,0]=4 5569 B14R0.340 C[C@@H](OCCCCCCCCO)C(=O)N 34a_100000731257_100000033203 [1,1,0,0,0,0|2,0,0]=4 5570 B14R0.340 C[C@@H](OCCCCCCCCO)C(=O)N 7a_100000731257_100000033203 [1,1,0,0,0,0|2,0,0]=4 5571 B14R0.340 C[C@H](NCCCCCCCCO)C(=O)O 269956a_100000743915_100000033203 [1,1,0,0,0,0|1,0,0]=3 5572 B14R0.340 C[C@H](OCCCCCCCCO)C(=O)[O-] 7a_217856618621_100000033203 [1,1,0,0,0,0|1,0,1]=4 5573 B14R0.340 NC(=O)C(F)NCCCCCCCCO 2230a_102515433106_100009813875 [1,1,0,0,0,0|2,0,0]=4 5574 B14R0.340 NC(=O)C(F)NCCCCCCCCO 34a_102515433106_100009813875 [1,1,0,0,0,0|2,0,0]=4 5575 B14R0.340 NC(=O)C(F)SCCCCCCCCO 62a_100000033203_100009813875 [1,1,0,0,0,0|2,0,0]=4 5576 B14R0.340 NC(=O)C(F)SCCCCCCCCO 62a_100009813875_100000033203 [1,1,0,0,0,0|2,0,0]=4 5577 B14R0.340 NC(=O)[C@@H](N)COCCCCCCCO 34a_100000729942_100000760002 [1,1,0,0,0,0|2,0,0]=4 5578 B14R0.340 O=C(O)C(F)CNCCCCCCCO 269956a_100000084737_100000760002 [1,1,0,0,0,0|1,0,0]=3 5579 B14R0.340 O=C([O-])C(F)NCCCCCCCCO 34a_102515433106_100020610796 [1,1,0,0,0,0|1,0,1]=4 5580 B14R0.340 O=C([O-])C(F)SCCCCCCCCO 62a_100000033203_100020610796 [1,1,0,0,0,0|1,0,1]=4 5581 B14R0.340 O=C([O-])C(F)SCCCCCCCCO 62a_100020610796_100000033203 [1,1,0,0,0,0|1,0,1]=4 5582 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [1,1,0,0,0,0|1,0,1]=4 5583 B14R0.344 CCCCCCCCC(C)OCC(=O)N 34a_100000210740_100000187820 [1,1,0,0,0,0|2,0,0]=4 5584 B14R0.344 CCCCCCCCC(C)OCC(=O)N 7a_100000210740_100000187820 [1,1,0,0,0,0|2,0,0]=4 5585 B14R0.344 CCCCCCCCC(C)OCC(=O)[O-] 34a_100000210740_100020667443 [1,1,0,0,0,0|1,0,1]=4 5586 B14R0.344 CCCCCCCCN(C)CCC(=O)C 269982a_100000207567_100000053229 [1,1,0,0,0,0|2,0,0]=4 5587 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000207567_100000744528 [1,1,0,0,0,0|2,0,0]=4 5588 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210759 [1,1,0,0,0,0|2,0,0]=4 5589 B14R0.344 CCCCCCCCN(C)CCC(=O)N 269982a_100000207567_100000744528 [1,1,0,0,0,0|2,0,0]=4 5590 B14R0.344 CN(CCCCCCCO)CCC(=O)N 2230a_100000730477_100000760002 [1,1,0,0,0,0|2,0,0]=4 5591 B14R0.344 NC(=O)CCC(=O)CCCCCCCO 1458a_100011215257_100000760002 [1,1,0,0,0,0|1,0,1]=4 5592 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [1,1,0,0,0,0|1,0,1]=4 5593 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [1,1,0,0,0,0|1,0,1]=4 5594 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [1,1,0,0,0,0|0,0,2]=4 5595 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000232482_100000747473 [1,1,0,0,0,0|2,0,0]=4 5596 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011214924 [1,1,0,0,0,0|2,0,0]=4 5597 B14R0.391 CCCCCCCCCN(C)CC(=O)N 269982a_100000232482_100000187820 [1,1,0,0,0,0|2,0,0]=4 5598 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [1,1,0,0,0,0|1,0,0]=3 5599 B14R0.391 CCCCCCCCCN(C)CC(=O)[O-] 269982a_100000232482_100020667443 [1,1,0,0,0,0|1,0,1]=4 5600 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [1,1,0,0,0,0|1,0,0]=3 5601 B14R0.391 CCCCOCCNCC(O)CC(=O)O 269956a_100011218706_100000743108 [1,1,0,0,0,0|2,0,0]=4 5602 B14R0.391 CN(CCCCCCCCO)CC(=O)N 2230a_100000739694_100000033203 [1,1,0,0,0,0|2,0,0]=4 5603 B14R0.391 CN(CCCCCCCCO)CC(=O)O 269956a_100000746989_100000033203 [1,1,0,0,0,0|1,0,0]=3 5604 B14R0.391 NC(=O)CC(=O)CCCCCCCCO 1458a_100134613110_100000033203 [1,1,0,0,0,0|1,0,1]=4 5605 B14R0.391 O=C(O)CC(O)CNCCCCCCF 269956a_100011218706_100015922095 [1,1,0,0,0,0|2,0,0]=4 5606 B14R0.391 O=C(O)CC(O)CNCCCCCCO 269956a_100011218706_100000766143 [1,1,0,0,0,0|1,0,0]=3 5607 B14R0.432 CCCC(C)CCCOCCCC(=O)C 34a_100011713154_100000685027 [1,1,0,0,0,0|2,0,0]=4 5608 B14R0.432 CCCC(C)CCCOCCCC(=O)C 7a_100011713154_100011215641 [1,1,0,0,0,0|2,0,0]=4 5609 B14R0.432 CCCC(C)CCCOCCCC(=O)N 34a_100011713154_100102525003 [1,1,0,0,0,0|2,0,0]=4 5610 B14R0.432 CCCC(C)CCCOCCCC(=O)N 7a_100011713154_100102525003 [1,1,0,0,0,0|2,0,0]=4 5611 B14R0.432 CCCC(C)CCOCCCCC(=O)C 34a_100011217855_100009817362 [1,1,0,0,0,0|2,0,0]=4 5612 B14R0.432 CCCC(C)CCOCCCCC(=O)C 7a_100011217855_100000735457 [1,1,0,0,0,0|2,0,0]=4 5613 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000123541_100011216630 [1,1,0,0,0,0|2,0,0]=4 5614 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000688023_100009817443 [1,1,0,0,0,0|2,0,0]=4 5615 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000123541_100011216630 [1,1,0,0,0,0|2,0,0]=4 5616 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000688023_100009817443 [1,1,0,0,0,0|2,0,0]=4 5617 B14R0.432 CCCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100011216630 [1,1,0,0,0,0|1,0,1]=4 5618 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100009817443_100011216630 [1,1,0,0,0,0|2,0,0]=4 5619 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100011216630_100009817443 [1,1,0,0,0,0|2,0,0]=4 5620 B14R0.432 CCC[C@H](N)CCOCCCCC(=O)C 34a_100015193777_100009817362 [1,1,0,0,0,0|2,0,0]=4 5621 B14R0.432 CCC[C@H](N)COCCCCCC(=O)N 34a_100000732646_100009817443 [1,1,0,0,0,0|2,0,0]=4 5622 B14R0.2224 CC(=O)CCCCC(=O)CCCCCO 1458a_100102619762_100000735457 [1,1,0,0,0,0|1,0,1]=4 5623 B14R0.2224 CC(=O)CCCCN(C)CCCCCO 269982a_100000722520_100000735457 [1,1,0,0,0,0|2,0,0]=4 5624 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [1,1,0,0,0,0|1,0,1]=4 5625 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 34a_200011024964_100000187820 [1,1,0,0,0,0|2,0,0]=4 5626 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 7a_200011024964_100000187820 [1,1,0,0,0,0|2,0,0]=4 5627 B14R0.2224 CCCCCCC(C)CCOCC(=O)[O-] 34a_200011024964_100020667443 [1,1,0,0,0,0|1,0,1]=4 5628 B14R0.2224 CCCCCCC(C)NCCCC(=O)C 34a_100000210919_100000685027 [1,1,0,0,0,0|2,0,0]=4 5629 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000210919_100102525003 [1,1,0,0,0,0|2,0,0]=4 5630 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000739312_100011215978 [1,1,0,0,0,0|2,0,0]=4 5631 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000210265_100000685027 [1,1,0,0,0,0|2,0,0]=4 5632 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000759063_100011215978 [1,1,0,0,0,0|2,0,0]=4 5633 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000210265_100011215641 [1,1,0,0,0,0|2,0,0]=4 5634 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000759063_100011215978 [1,1,0,0,0,0|2,0,0]=4 5635 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 34a_100000210265_100102525003 [1,1,0,0,0,0|2,0,0]=4 5636 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 7a_100000210265_100102525003 [1,1,0,0,0,0|2,0,0]=4 5637 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215641_100011215978 [1,1,0,0,0,0|2,0,0]=4 5638 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215978_100011215641 [1,1,0,0,0,0|2,0,0]=4 5639 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100011215978_100102525003 [1,1,0,0,0,0|2,0,0]=4 5640 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100102525003_100011215978 [1,1,0,0,0,0|2,0,0]=4 5641 B14R0.2224 CCCCCCN(C)CCCCC(=O)C 269982a_106256046315_100000735457 [1,1,0,0,0,0|2,0,0]=4 5642 B14R0.145 C=CCCCCC(=O)CCCCCCO 1458a_100011215552_100000766143 [1,1,0,0,0,0|1,0,1]=4 5643 B14R0.145 C=CCCCCC(=O)CCCCCCO 1458a_100011996774_100011215482 [1,1,0,0,0,0|1,0,1]=4 5644 B14R0.145 C=CCCCCCC(=O)CCCCCO 1458a_100011934241_100000746330 [1,1,0,0,0,0|1,0,1]=4 5645 B14R0.145 C=CCCCCCC(=O)CCCCCO 1458a_100102619762_100000700193 [1,1,0,0,0,0|1,0,1]=4 5646 B14R0.145 C=CCCCCCN(C)CCCCCO 2230a_100000722520_100000700193 [1,1,0,0,0,0|2,0,0]=4 5647 B14R0.145 C=CCCCCCN(C)CCCCCO 269982a_100000722520_100000700193 [1,1,0,0,0,0|2,0,0]=4 5648 B14R0.145 C=CCCCCN(C)CCCCCCO 2230a_100012000471_100000766143 [1,1,0,0,0,0|2,0,0]=4 5649 B14R0.145 C=CCCCCN(C)CCCCCCO 269982a_100012000471_100000766143 [1,1,0,0,0,0|2,0,0]=4 5650 B14R0.145 CCCCCCC(C)NCCCCC=O 2230a_100000210919_100000139335 [1,1,0,0,0,0|2,0,0]=4 5651 B14R0.145 CCCCCCC(C)OCCCCC=O 7a_100000210265_100000139335 [1,1,0,0,0,0|2,0,0]=4 5652 B14R0.145 CCCCCCC(C)SCCCCC=O 62a_100000139335_100011215978 [1,1,0,0,0,0|2,0,0]=4 5653 B14R0.145 CCCCCCC(C)SCCCCC=O 62a_100011215978_100000139335 [1,1,0,0,0,0|2,0,0]=4 5654 B14R0.145 CCCCCCCC(C)OCCCC=O 7a_200011215852_200011292268 [1,1,0,0,0,0|2,0,0]=4 5655 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011218727_200011292268 [1,1,0,0,0,0|2,0,0]=4 5656 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011292268_200011218727 [1,1,0,0,0,0|2,0,0]=4 5657 B14R0.145 CCCCCCCN(C)CCCCC=O 2230a_100000228206_100000139335 [1,1,0,0,0,0|2,0,0]=4 5658 B14R0.145 CCCCCCCN(C)CCCCC=O 269982a_100000228206_100000139335 [1,1,0,0,0,0|2,0,0]=4 5659 B14R0.145 CCCCCCN(C)CCCCCC=O 2230a_106256046315_100000139337 [1,1,0,0,0,0|2,0,0]=4 5660 B14R0.145 CCCCCCN(C)CCCCCC=O 269982a_106256046315_100000139337 [1,1,0,0,0,0|2,0,0]=4 5661 B14R0.145 CN(CCCCCC=O)CCOCCO 2230a_100000228057_100000139337 [1,1,0,0,0,0|2,0,0]=4 5662 B14R0.145 CN(CCCCCC=O)CCOCCO 269982a_100000228057_100000139337 [1,1,0,0,0,0|2,0,0]=4 5663 B14R0.145 CN(CCCCCO)CCCCCC=O 2230a_100000722520_100000139337 [1,1,0,0,0,0|1,0,0]=3 5664 B14R0.145 CN(CCCCCO)CCCCCC=O 269982a_100000722520_100000139337 [1,1,0,0,0,0|1,0,0]=3 5665 B14R0.145 CN(CCCCCO)CCCCCCO 2230a_100000722520_100000766143 [1,1,0,0,0,0|1,0,1]=4 5666 B14R0.145 CN(CCCCCO)CCCCCCO 269982a_100000722520_100000766143 [1,1,0,0,0,0|1,0,1]=4 5667 B14R0.145 O=C(CCCCCO)CCCCCCO 1458a_100011996774_100000746330 [1,1,0,0,0,0|0,0,2]=4 5668 B14R0.145 O=C(CCCCCO)CCCCCCO 1458a_100102619762_100000766143 [1,1,0,0,0,0|0,0,2]=4 5669 B14R0.179 C=CCCCC(=O)CCCCCCCO 1458a_100000766728_100000760002 [1,1,0,0,0,0|1,0,1]=4 5670 B14R0.179 C=CCCCC(=O)CCCCCCCO 1458a_100011219782_100000757094 [1,1,0,0,0,0|1,0,1]=4 5671 B14R0.179 C=CCCCCCCC(=O)CCCCO 1458a_100000695505_100011215473 [1,1,0,0,0,0|1,0,1]=4 5672 B14R0.179 C=CCCCCCCC(=O)CCCCO 1458a_100011809334_100000210776 [1,1,0,0,0,0|1,0,1]=4 5673 B14R0.179 C=CCCCCCCN(C)CCCCO 2230a_100000717598_100011215473 [1,1,0,0,0,0|2,0,0]=4 5674 B14R0.179 C=CCCCCCCN(C)CCCCO 269982a_100000717598_100011215473 [1,1,0,0,0,0|2,0,0]=4 5675 B14R0.179 CCCCCC(C)NCCCCCC=O 2230a_100000211957_100000139337 [1,1,0,0,0,0|2,0,0]=4 5676 B14R0.179 CCCCCC(C)OCCCCCC=O 7a_100011215632_100000139337 [1,1,0,0,0,0|2,0,0]=4 5677 B14R0.179 CCCCCC(C)SCCCCCC=O 62a_100000139337_200011218191 [1,1,0,0,0,0|2,0,0]=4 5678 B14R0.179 CCCCCC(C)SCCCCCC=O 62a_200011218191_100000139337 [1,1,0,0,0,0|2,0,0]=4 5679 B14R0.179 CCCCCCCCC(C)COCC=O 34a_200012125181_200009817547 [1,1,0,0,0,0|2,0,0]=4 5680 B14R0.179 CCCCCCCCC(C)COCC=O 7a_200012125181_200015260668 [1,1,0,0,0,0|2,0,0]=4 5681 B14R0.179 CCCCCCCCN(C)CCCC=O 2230a_100000207567_200011292268 [1,1,0,0,0,0|2,0,0]=4 5682 B14R0.179 CCCCCCCCN(C)CCCC=O 269982a_100000207567_200011292268 [1,1,0,0,0,0|2,0,0]=4 5683 B14R0.179 CN(CCCCO)CCCCCCCO 2230a_100000717598_100000760002 [1,1,0,0,0,0|1,0,1]=4 5684 B14R0.179 CN(CCCCO)CCCCCCCO 269982a_100000717598_100000760002 [1,1,0,0,0,0|1,0,1]=4 5685 B14R0.179 O=C(CCCCO)CCCCCCCO 1458a_100000695505_100000760002 [1,1,0,0,0,0|0,0,2]=4 5686 B14R0.179 O=C(CCCCO)CCCCCCCO 1458a_100011219782_100000210776 [1,1,0,0,0,0|0,0,2]=4 5687 B14R0.392 C#CCCCCCCCCCOCC=O 34a_100000034437_200009817547 [1,1,0,0,0,0|1,0,1]=4 5688 B14R0.392 C#CCCCCCCCCCOCC=O 7a_100000034437_200015260668 [1,1,0,0,0,0|1,0,1]=4 5689 B14R0.392 C#CCCCCCCCCCOCCO 34a_100000034437_100000211926 [1,1,0,0,0,0|1,0,1]=4 5690 B14R0.392 C#CCCCCCCCCCOCCO 7a_100000034437_100000211926 [1,1,0,0,0,0|1,0,1]=4 5691 B14R0.392 C#CCCCCCCCCOCCCO 34a_100000065265_100000230001 [1,1,0,0,0,0|1,0,1]=4 5692 B14R0.392 C#CCCCCCCCCOCCCO 7a_100000065265_100011215043 [1,1,0,0,0,0|1,0,1]=4 5693 B14R0.392 C#CCCCCCCCNCCCCO 2230a_100000750430_100153394163 [1,1,0,0,0,0|1,0,1]=4 5694 B14R0.392 C#CCCCCCCCNCCCCO 34a_100000750430_100153394163 [1,1,0,0,0,0|1,0,1]=4 5695 B14R0.392 C#CCCCCCCCOCCCC=O 7a_100000054614_200011292268 [1,1,0,0,0,0|1,0,1]=4 5696 B14R0.392 C#CCCCCCCCOCCCCO 34a_100000054614_100011216708 [1,1,0,0,0,0|1,0,1]=4 5697 B14R0.392 C#CCCCCCCCOCCCCO 7a_100000054614_100000210776 [1,1,0,0,0,0|1,0,1]=4 5698 B14R0.392 C#CCCCCCCCSCCCC=O 62a_100153394163_200011292268 [1,1,0,0,0,0|1,0,1]=4 5699 B14R0.392 C#CCCCCCCCSCCCC=O 62a_200011292268_100153394163 [1,1,0,0,0,0|1,0,1]=4 5700 B14R0.392 C#CCCCCCCCSCCCCO 62a_100000210776_100153394163 [1,1,0,0,0,0|1,0,1]=4 5701 B14R0.392 C#CCCCCCCCSCCCCO 62a_100153394163_100000210776 [1,1,0,0,0,0|1,0,1]=4 5702 B14R0.392 C#CCCCCCCNCCCCCO 2230a_100000762737_100012276617 [1,1,0,0,0,0|1,0,1]=4 5703 B14R0.392 C#CCCCCCCNCCCCCO 34a_100000762737_100012276617 [1,1,0,0,0,0|1,0,1]=4 5704 B14R0.392 C#CCCCCCCOCCCCC=O 7a_100011217361_100000139335 [1,1,0,0,0,0|1,0,1]=4 5705 B14R0.392 C#CCCCCCCOCCCCCO 34a_100011217361_100000746330 [1,1,0,0,0,0|1,0,1]=4 5706 B14R0.392 C#CCCCCCCOCCCCCO 7a_100011217361_100000746330 [1,1,0,0,0,0|1,0,1]=4 5707 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100000139335_100012276617 [1,1,0,0,0,0|1,0,1]=4 5708 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100012276617_100000139335 [1,1,0,0,0,0|1,0,1]=4 5709 B14R0.392 C#CCCCCCCSCCCCCO 62a_100000746330_100012276617 [1,1,0,0,0,0|1,0,1]=4 5710 B14R0.392 C#CCCCCCCSCCCCCO 62a_100012276617_100000746330 [1,1,0,0,0,0|1,0,1]=4 5711 B14R0.392 C#CCCCCCNCCCCCCO 2230a_100000686447_100012094781 [1,1,0,0,0,0|1,0,1]=4 5712 B14R0.392 C#CCCCCCNCCCCCCO 34a_100000686447_100012094781 [1,1,0,0,0,0|1,0,1]=4 5713 B14R0.392 C#CCCCCCOCCCCCC=O 7a_100000766912_100000139337 [1,1,0,0,0,0|1,0,1]=4 5714 B14R0.392 C#CCCCCCOCCCCCCO 34a_100000766912_100000766143 [1,1,0,0,0,0|1,0,1]=4 5715 B14R0.392 C#CCCCCCOCCCCCCO 7a_100000766912_100000766143 [1,1,0,0,0,0|1,0,1]=4 5716 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100000139337_100012094781 [1,1,0,0,0,0|1,0,1]=4 5717 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100012094781_100000139337 [1,1,0,0,0,0|1,0,1]=4 5718 B14R0.392 C#CCCCCCSCCCCCCO 62a_100000766143_100012094781 [1,1,0,0,0,0|1,0,1]=4 5719 B14R0.392 C#CCCCCCSCCCCCCO 62a_100012094781_100000766143 [1,1,0,0,0,0|1,0,1]=4 5720 B14R0.392 C#CCCCCNCCCCCCCO 2230a_100000706060_100000760002 [1,1,0,0,0,0|1,0,1]=4 5721 B14R0.392 C#CCCCCNCCCCCCCO 2230a_100011996573_100010269958 [1,1,0,0,0,0|1,0,1]=4 5722 B14R0.392 C#CCCCCNCCCCCCCO 34a_100000706060_100000760002 [1,1,0,0,0,0|1,0,1]=4 5723 B14R0.392 C#CCCCCNCCCCCCCO 34a_100011996573_100010269958 [1,1,0,0,0,0|1,0,1]=4 5724 B14R0.392 C#CCCCCOCCCCCCCO 34a_100000766709_100000760002 [1,1,0,0,0,0|1,0,1]=4 5725 B14R0.392 C#CCCCCOCCCCCCCO 7a_100000766709_100000760002 [1,1,0,0,0,0|1,0,1]=4 5726 B14R0.392 C#CCCCCSCCCCCCCO 62a_100000760002_100010269958 [1,1,0,0,0,0|1,0,1]=4 5727 B14R0.392 C#CCCCCSCCCCCCCO 62a_100010269958_100000760002 [1,1,0,0,0,0|1,0,1]=4 5728 B14R0.392 C#CCCCNCCCCCCCCO 2230a_102515433106_100000731252 [1,1,0,0,0,0|1,0,1]=4 5729 B14R0.392 C#CCCCNCCCCCCCCO 34a_100000718082_100000033203 [1,1,0,0,0,0|1,0,1]=4 5730 B14R0.392 C#CCCCNCCCCCCCCO 34a_102515433106_100000695029 [1,1,0,0,0,0|1,0,1]=4 5731 B14R0.392 C#CCCCOCCCCCCCCO 34a_100000215630_100000033203 [1,1,0,0,0,0|1,0,1]=4 5732 B14R0.392 C#CCCCOCCCCCCCCO 7a_100000215630_100000033203 [1,1,0,0,0,0|1,0,1]=4 5733 B14R0.392 C#CCCCSCCCCCCCCO 62a_100000033203_100011215417 [1,1,0,0,0,0|1,0,1]=4 5734 B14R0.392 C#CCCCSCCCCCCCCO 62a_100011215417_100000033203 [1,1,0,0,0,0|1,0,1]=4 5735 B14R0.392 C#CCCNCCCCCCCCCO 2230a_100000078944_100000688953 [1,1,0,0,0,0|1,0,1]=4 5736 B14R0.392 C#CCCNCCCCCCCCCO 34a_100000078944_100000688953 [1,1,0,0,0,0|1,0,1]=4 5737 B14R0.392 C#CCCNCCCCCCCCCO 34a_100000755551_100009813782 [1,1,0,0,0,0|1,0,1]=4 5738 B14R0.392 C#CCCOCCCCCCCCCO 34a_100011215631_100009813782 [1,1,0,0,0,0|1,0,1]=4 5739 B14R0.392 C#CCCSCCCCCCCCCO 62a_100000688953_100009813782 [1,1,0,0,0,0|1,0,1]=4 5740 B14R0.392 C#CCCSCCCCCCCCCO 62a_100009813782_100000688953 [1,1,0,0,0,0|1,0,1]=4 5741 B14R0.392 C#CCNCCCCCCCCCCO 2230a_100000066964_100000038162 [1,1,0,0,0,0|1,0,1]=4 5742 B14R0.392 C#CCNCCCCCCCCCCO 34a_100000066964_100000184674 [1,1,0,0,0,0|1,0,1]=4 5743 B14R0.392 C#CCNCCCCCCCCCCO 34a_100000212058_100009813290 [1,1,0,0,0,0|1,0,1]=4 5744 B14R0.392 C#CCOCCCCCCCCCCO 34a_100000210247_100009813290 [1,1,0,0,0,0|1,0,1]=4 5745 B14R0.392 C#CCSCCCCCCCCCCO 62a_100000038162_200000033068 [1,1,0,0,0,0|1,0,1]=4 5746 B14R0.392 C/C=C/CCOCCCCCCCCO 34a_100016278192_100000033203 [1,1,0,0,0,0|1,0,1]=4 5747 B14R0.392 C/C=C/CNCCCCCCCCCO 34a_100000078944_100102629194 [1,1,0,0,0,0|1,0,1]=4 5748 B14R0.392 C/C=C/COCCCCCCCCCO 34a_100016270725_100009813782 [1,1,0,0,0,0|1,0,1]=4 5749 B14R0.392 C/C=C/CSCCCCCCCCCO 62a_100009813782_100102629194 [1,1,0,0,0,0|1,0,1]=4 5750 B14R0.392 C/C=C/CSCCCCCCCCCO 62a_100102629194_100009813782 [1,1,0,0,0,0|1,0,1]=4 5751 B14R0.392 C=CCCCCCCCCCCCNC 2230a_106832991635_102130925996 [1,1,0,0,0,0|2,0,0]=4 5752 B14R0.392 C=CCCCCCCCCCCCNC 34a_100102657272_102130925996 [1,1,0,0,0,0|2,0,0]=4 5753 B14R0.392 C=CCCCCCCCCCCCNC 7a_106832991635_102130925996 [1,1,0,0,0,0|2,0,0]=4 5754 B14R0.392 C=CCCCCCCCCCCCOC 34a_100138415774_102130925996 [1,1,0,0,0,0|1,0,0]=3 5755 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [1,1,0,0,0,0|2,0,0]=4 5756 B14R0.392 C=CCCCCCCCCCCOCC 34a_100121572206_100011093070 [1,1,0,0,0,0|2,0,0]=4 5757 B14R0.392 C=CCCCCCCCCCNCC=O 2230a_100000081888_200015260668 [1,1,0,0,0,0|1,0,1]=4 5758 B14R0.392 C=CCCCCCCCCCNCC=O 34a_100000081888_200009817547 [1,1,0,0,0,0|1,0,1]=4 5759 B14R0.392 C=CCCCCCCCCCNCCC 2230a_100000081888_100000210303 [1,1,0,0,0,0|2,0,0]=4 5760 B14R0.392 C=CCCCCCCCCCNCCC 34a_100000081888_100000210303 [1,1,0,0,0,0|2,0,0]=4 5761 B14R0.392 C=CCCCCCCCCCNCCF 2230a_100000081888_100011217306 [1,1,0,0,0,0|2,0,0]=4 5762 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000081888_100011217306 [1,1,0,0,0,0|2,0,0]=4 5763 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000724931_100009814027 [1,1,0,0,0,0|2,0,0]=4 5764 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100000081888_100000211926 [1,1,0,0,0,0|1,0,0]=3 5765 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100016997473_100009814027 [1,1,0,0,0,0|1,0,0]=3 5766 B14R0.392 C=CCCCCCCCCCNCCO 34a_100000081888_100000211926 [1,1,0,0,0,0|1,0,0]=3 5767 B14R0.392 C=CCCCCCCCCCNCCO 34a_100016990907_100009814027 [1,1,0,0,0,0|1,0,0]=3 5768 B14R0.392 C=CCCCCCCCCCNCOC 2230a_100000081888_100000766300 [1,1,0,0,0,0|2,0,0]=4 5769 B14R0.392 C=CCCCCCCCCCOCC=O 34a_100000038209_200009817547 [1,1,0,0,0,0|1,0,1]=4 5770 B14R0.392 C=CCCCCCCCCCOCC=O 7a_100000038209_200015260668 [1,1,0,0,0,0|1,0,1]=4 5771 B14R0.392 C=CCCCCCCCCCOCCBr 34a_100000211926_100009814027 [1,1,0,0,0,0|2,0,0]=4 5772 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000038209_100000210303 [1,1,0,0,0,0|2,0,0]=4 5773 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000210258_100009814027 [1,1,0,0,0,0|2,0,0]=4 5774 B14R0.392 C=CCCCCCCCCCOCCC 7a_100000038209_100000210303 [1,1,0,0,0,0|2,0,0]=4 5775 B14R0.392 C=CCCCCCCCCCOCCF 34a_100000038209_100011217306 [1,1,0,0,0,0|2,0,0]=4 5776 B14R0.392 C=CCCCCCCCCCOCCF 7a_100000038209_100011217306 [1,1,0,0,0,0|2,0,0]=4 5777 B14R0.392 C=CCCCCCCCCCOCCN 34a_100000210304_100009814027 [1,1,0,0,0,0|2,0,0]=4 5778 B14R0.392 C=CCCCCCCCCCOCCO 34a_100000038209_100000211926 [1,1,0,0,0,0|1,0,0]=3 5779 B14R0.392 C=CCCCCCCCCCOCCO 7a_100000038209_100000211926 [1,1,0,0,0,0|1,0,0]=3 5780 B14R0.392 C=CCCCCCCCCCSCC=O 62a_100009814027_200015260668 [1,1,0,0,0,0|1,0,1]=4 5781 B14R0.392 C=CCCCCCCCCCSCC=O 62a_200015260668_100009814027 [1,1,0,0,0,0|1,0,1]=4 5782 B14R0.392 C=CCCCCCCCCCSCCO 62a_100000211926_100009814027 [1,1,0,0,0,0|1,0,0]=3 5783 B14R0.392 C=CCCCCCCCCCSCCO 62a_100009814027_100000211926 [1,1,0,0,0,0|1,0,0]=3 5784 B14R0.392 C=CCCCCCCCCCSCOC 62a_100000766300_100009814027 [1,1,0,0,0,0|2,0,0]=4 5785 B14R0.392 C=CCCCCCCCCCSCOC 62a_100009814027_100000766300 [1,1,0,0,0,0|2,0,0]=4 5786 B14R0.392 C=CCCCCCCCCNCCCC 2230a_100000102301_100011933949 [1,1,0,0,0,0|2,0,0]=4 5787 B14R0.392 C=CCCCCCCCCNCCCC 7a_106832991798_100011933949 [1,1,0,0,0,0|2,0,0]=4 5788 B14R0.392 C=CCCCCCCCCNCCCF 2230a_100015189416_100011933949 [1,1,0,0,0,0|2,0,0]=4 5789 B14R0.392 C=CCCCCCCCCNCCCF 34a_100015189416_100011933949 [1,1,0,0,0,0|2,0,0]=4 5790 B14R0.392 C=CCCCCCCCCNCCOC 2230a_100000209980_100011933949 [1,1,0,0,0,0|2,0,0]=4 5791 B14R0.392 C=CCCCCCCCCOCCCBr 34a_100011217188_100011933949 [1,1,0,0,0,0|2,0,0]=4 5792 B14R0.392 C=CCCCCCCCCOCCCC 34a_100000210227_100011933949 [1,1,0,0,0,0|2,0,0]=4 5793 B14R0.392 C=CCCCCCCCCOCCCC 34a_100011215194_100000210210 [1,1,0,0,0,0|2,0,0]=4 5794 B14R0.392 C=CCCCCCCCCOCCCC 7a_100000210227_100011933949 [1,1,0,0,0,0|2,0,0]=4 5795 B14R0.392 C=CCCCCCCCCOCCCC 7a_100011215194_100000210211 [1,1,0,0,0,0|2,0,0]=4 5796 B14R0.392 C=CCCCCCCCCOCCCCl 34a_100000230001_100011933949 [1,1,0,0,0,0|2,0,0]=4 5797 B14R0.392 C=CCCCCCCCCOCCCF 34a_100000759539_100011933949 [1,1,0,0,0,0|2,0,0]=4 5798 B14R0.392 C=CCCCCCCCCOCCCF 34a_100011215194_100011934791 [1,1,0,0,0,0|2,0,0]=4 5799 B14R0.392 C=CCCCCCCCCOCCCF 7a_100011215194_100011934791 [1,1,0,0,0,0|2,0,0]=4 5800 B14R0.392 C=CCCCCCCCCOCCCN 34a_100000182051_100011933949 [1,1,0,0,0,0|2,0,0]=4 5801 B14R0.392 C=CCCCCCCCCOCCCO 34a_100011215194_100000230001 [1,1,0,0,0,0|1,0,0]=3 5802 B14R0.392 C=CCCCCCCCCOCCCO 7a_100011215194_100011215043 [1,1,0,0,0,0|1,0,0]=3 5803 B14R0.392 C=CCCCCCCCCOCCOC 34a_100000210237_100011933949 [1,1,0,0,0,0|2,0,0]=4 5804 B14R0.392 C=CCCCCCCCCOCCOC 34a_100011215194_100011201679 [1,1,0,0,0,0|2,0,0]=4 5805 B14R0.392 C=CCCCCCCCCOCCOC 7a_100011215194_100000233755 [1,1,0,0,0,0|2,0,0]=4 5806 B14R0.392 C=CCCCCCCCCOCCON 34a_100000700252_100011933949 [1,1,0,0,0,0|2,0,0]=4 5807 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011215043_100011933949 [1,1,0,0,0,0|1,0,0]=3 5808 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011933949_100011215043 [1,1,0,0,0,0|1,0,0]=3 5809 B14R0.392 C=CCCCCCCCCSCCOC 62a_100000233755_100011933949 [1,1,0,0,0,0|2,0,0]=4 5810 B14R0.392 C=CCCCCCCCCSCCOC 62a_100011933949_100000233755 [1,1,0,0,0,0|2,0,0]=4 5811 B14R0.392 C=CCCCCCCCNCCCCC 2230a_100000209983_100012355270 [1,1,0,0,0,0|2,0,0]=4 5812 B14R0.392 C=CCCCCCCCNCCCCO 2230a_100000750430_100012355270 [1,1,0,0,0,0|1,0,0]=3 5813 B14R0.392 C=CCCCCCCCNCCCCO 34a_100000750430_100012355270 [1,1,0,0,0,0|1,0,0]=3 5814 B14R0.392 C=CCCCCCCCNCCCOC 34a_100150723488_100012355270 [1,1,0,0,0,0|2,0,0]=4 5815 B14R0.392 C=CCCCCCCCOCCCC=O 7a_100000730831_200011292268 [1,1,0,0,0,0|1,0,1]=4 5816 B14R0.392 C=CCCCCCCCOCCCCBr 34a_100011216708_100012355270 [1,1,0,0,0,0|2,0,0]=4 5817 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000210253_100012355270 [1,1,0,0,0,0|2,0,0]=4 5818 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000730831_100000718602 [1,1,0,0,0,0|2,0,0]=4 5819 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000210253_100012355270 [1,1,0,0,0,0|2,0,0]=4 5820 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000730831_100000210326 [1,1,0,0,0,0|2,0,0]=4 5821 B14R0.392 C=CCCCCCCCOCCCCCl 34a_100000210776_100012355270 [1,1,0,0,0,0|2,0,0]=4 5822 B14R0.392 C=CCCCCCCCOCCCCCl 7a_100000210776_100012355270 [1,1,0,0,0,0|2,0,0]=4 5823 B14R0.392 C=CCCCCCCCOCCCCF 34a_100000730831_100000729493 [1,1,0,0,0,0|2,0,0]=4 5824 B14R0.392 C=CCCCCCCCOCCCCF 34a_100011995726_100012355270 [1,1,0,0,0,0|2,0,0]=4 5825 B14R0.392 C=CCCCCCCCOCCCCF 7a_100000730831_100000729493 [1,1,0,0,0,0|2,0,0]=4 5826 B14R0.392 C=CCCCCCCCOCCCCF 7a_100011995726_100012355270 [1,1,0,0,0,0|2,0,0]=4 5827 B14R0.392 C=CCCCCCCCOCCCCI 34a_200012148704_100012355270 [1,1,0,0,0,0|2,0,0]=4 5828 B14R0.392 C=CCCCCCCCOCCCCN 34a_100000750430_100012355270 [1,1,0,0,0,0|2,0,0]=4 5829 B14R0.392 C=CCCCCCCCOCCCCO 34a_100000730831_100011216708 [1,1,0,0,0,0|1,0,0]=3 5830 B14R0.392 C=CCCCCCCCOCCCCO 7a_100000730831_100000210776 [1,1,0,0,0,0|1,0,0]=3 5831 B14R0.392 C=CCCCCCCCOCCCOC 34a_100000730831_100000740836 [1,1,0,0,0,0|2,0,0]=4 5832 B14R0.392 C=CCCCCCCCOCCCOC 34a_100000740835_100012355270 [1,1,0,0,0,0|2,0,0]=4 5833 B14R0.392 C=CCCCCCCCOCCCOC 7a_100000730831_100000740836 [1,1,0,0,0,0|2,0,0]=4 5834 B14R0.392 C=CCCCCCCCSCCCC=O 62a_100012355270_200011292268 [1,1,0,0,0,0|1,0,1]=4 5835 B14R0.392 C=CCCCCCCCSCCCC=O 62a_200011292268_100012355270 [1,1,0,0,0,0|1,0,1]=4 5836 B14R0.392 C=CCCCCCCCSCCCCO 62a_100000210776_100012355270 [1,1,0,0,0,0|1,0,0]=3 5837 B14R0.392 C=CCCCCCCCSCCCCO 62a_100012355270_100000210776 [1,1,0,0,0,0|1,0,0]=3 5838 B14R0.392 C=CCCCCCCCSCCCOC 62a_100000709357_100012355270 [1,1,0,0,0,0|2,0,0]=4 5839 B14R0.392 C=CCCCCCCCSCCCOC 62a_100012355270_100000709357 [1,1,0,0,0,0|2,0,0]=4 5840 B14R0.392 C=CCCCCCCNCCCCCC 2230a_100000210581_100011215473 [1,1,0,0,0,0|2,0,0]=4 5841 B14R0.392 C=CCCCCCCNCCCCCO 2230a_100000762737_100011215473 [1,1,0,0,0,0|1,0,0]=3 5842 B14R0.392 C=CCCCCCCNCCCCCO 34a_100000762737_100011215473 [1,1,0,0,0,0|1,0,0]=3 5843 B14R0.392 C=CCCCCCCNCCOCCO 2230a_100000211614_100011215473 [1,1,0,0,0,0|2,0,0]=4 5844 B14R0.392 C=CCCCCCCNCCOCCO 34a_100000211614_100011215473 [1,1,0,0,0,0|2,0,0]=4 5845 B14R0.392 C=CCCCCCCNCCSCCO 2230a_100011219999_100011215473 [1,1,0,0,0,0|2,0,0]=4 5846 B14R0.392 C=CCCCCCCOCCCCC=O 7a_200011216477_100000139335 [1,1,0,0,0,0|1,0,1]=4 5847 B14R0.392 C=CCCCCCCOCCCCCBr 34a_100000746331_100011215473 [1,1,0,0,0,0|2,0,0]=4 5848 B14R0.392 C=CCCCCCCOCCCCCBr 7a_100000746331_100011215473 [1,1,0,0,0,0|2,0,0]=4 5849 B14R0.392 C=CCCCCCCOCCCCCC 34a_100000210259_100011215473 [1,1,0,0,0,0|2,0,0]=4 5850 B14R0.392 C=CCCCCCCOCCCCCC 34a_200011216477_100000210314 [1,1,0,0,0,0|2,0,0]=4 5851 B14R0.392 C=CCCCCCCOCCCCCC 7a_100000210259_100011215473 [1,1,0,0,0,0|2,0,0]=4 5852 B14R0.392 C=CCCCCCCOCCCCCC 7a_200011216477_100000210314 [1,1,0,0,0,0|2,0,0]=4 5853 B14R0.392 C=CCCCCCCOCCCCCCl 34a_100000746330_100011215473 [1,1,0,0,0,0|2,0,0]=4 5854 B14R0.392 C=CCCCCCCOCCCCCCl 7a_100000746330_100011215473 [1,1,0,0,0,0|2,0,0]=4 5855 B14R0.392 C=CCCCCCCOCCCCCF 34a_200011216477_100000729378 [1,1,0,0,0,0|2,0,0]=4 5856 B14R0.392 C=CCCCCCCOCCCCCF 7a_200011216477_100000729378 [1,1,0,0,0,0|2,0,0]=4 5857 B14R0.392 C=CCCCCCCOCCCCCI 34a_200012148887_100011215473 [1,1,0,0,0,0|2,0,0]=4 5858 B14R0.392 C=CCCCCCCOCCCCCI 7a_200012148887_100011215473 [1,1,0,0,0,0|2,0,0]=4 5859 B14R0.392 C=CCCCCCCOCCCCCN 34a_100000762737_100011215473 [1,1,0,0,0,0|2,0,0]=4 5860 B14R0.392 C=CCCCCCCOCCCCCO 34a_200011216477_100000746330 [1,1,0,0,0,0|1,0,0]=3 5861 B14R0.392 C=CCCCCCCOCCCCCO 7a_200011216477_100000746330 [1,1,0,0,0,0|1,0,0]=3 5862 B14R0.392 C=CCCCCCCOCCCCOC 34a_100000740925_100011215473 [1,1,0,0,0,0|2,0,0]=4 5863 B14R0.392 C=CCCCCCCOCCCCOC 34a_200011216477_100000755781 [1,1,0,0,0,0|2,0,0]=4 5864 B14R0.392 C=CCCCCCCOCCCCOC 7a_200011216477_100000730899 [1,1,0,0,0,0|2,0,0]=4 5865 B14R0.392 C=CCCCCCCOCCOCCO 34a_200011216477_100000692535 [1,1,0,0,0,0|2,0,0]=4 5866 B14R0.392 C=CCCCCCCOCCOCCO 7a_200011216477_100011215305 [1,1,0,0,0,0|2,0,0]=4 5867 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100000139335_100011215473 [1,1,0,0,0,0|1,0,1]=4 5868 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100011215473_100000139335 [1,1,0,0,0,0|1,0,1]=4 5869 B14R0.392 C=CCCCCCCSCCCCCO 62a_100000746330_100011215473 [1,1,0,0,0,0|1,0,0]=3 5870 B14R0.392 C=CCCCCCCSCCCCCO 62a_100011215473_100000746330 [1,1,0,0,0,0|1,0,0]=3 5871 B14R0.392 C=CCCCCCCSCCCCOC 62a_100000730899_100011215473 [1,1,0,0,0,0|2,0,0]=4 5872 B14R0.392 C=CCCCCCCSCCCCOC 62a_100011215473_100000730899 [1,1,0,0,0,0|2,0,0]=4 5873 B14R0.392 C=CCCCCCCSCCOCCO 62a_100011215305_100011215473 [1,1,0,0,0,0|2,0,0]=4 5874 B14R0.392 C=CCCCCCCSCCOCCO 62a_100011215473_100011215305 [1,1,0,0,0,0|2,0,0]=4 5875 B14R0.392 C=CCCCCCNCCCCCCC 2230a_100000229938_100000700193 [1,1,0,0,0,0|2,0,0]=4 5876 B14R0.392 C=CCCCCCNCCCCCCO 2230a_100000686447_100000700193 [1,1,0,0,0,0|1,0,0]=3 5877 B14R0.392 C=CCCCCCNCCCCCCO 34a_100000686447_100000700193 [1,1,0,0,0,0|1,0,0]=3 5878 B14R0.392 C=CCCCCCNCCCCCOC 2230a_100000747528_100000700193 [1,1,0,0,0,0|2,0,0]=4 5879 B14R0.392 C=CCCCCCNCCCCCOC 34a_100000747528_100000700193 [1,1,0,0,0,0|2,0,0]=4 5880 B14R0.392 C=CCCCCCOCCCCCC=O 7a_100011216702_100000139337 [1,1,0,0,0,0|1,0,1]=4 5881 B14R0.392 C=CCCCCCOCCCCCCBr 34a_100011215345_100000700193 [1,1,0,0,0,0|2,0,0]=4 5882 B14R0.392 C=CCCCCCOCCCCCCBr 7a_100011215345_100000700193 [1,1,0,0,0,0|2,0,0]=4 5883 B14R0.392 C=CCCCCCOCCCCCCC 34a_100000210272_100000700193 [1,1,0,0,0,0|2,0,0]=4 5884 B14R0.392 C=CCCCCCOCCCCCCC 34a_100011216702_100000210614 [1,1,0,0,0,0|2,0,0]=4 5885 B14R0.392 C=CCCCCCOCCCCCCC 7a_100000210272_100000700193 [1,1,0,0,0,0|2,0,0]=4 5886 B14R0.392 C=CCCCCCOCCCCCCC 7a_100011216702_100000210614 [1,1,0,0,0,0|2,0,0]=4 5887 B14R0.392 C=CCCCCCOCCCCCCCl 34a_100000766143_100000700193 [1,1,0,0,0,0|2,0,0]=4 5888 B14R0.392 C=CCCCCCOCCCCCCCl 7a_100000766143_100000700193 [1,1,0,0,0,0|2,0,0]=4 5889 B14R0.392 C=CCCCCCOCCCCCCF 34a_100000732779_100000700193 [1,1,0,0,0,0|2,0,0]=4 5890 B14R0.392 C=CCCCCCOCCCCCCF 34a_100011216702_100015922095 [1,1,0,0,0,0|2,0,0]=4 5891 B14R0.392 C=CCCCCCOCCCCCCF 7a_100000732779_100000700193 [1,1,0,0,0,0|2,0,0]=4 5892 B14R0.392 C=CCCCCCOCCCCCCF 7a_100011216702_100015922095 [1,1,0,0,0,0|2,0,0]=4 5893 B14R0.392 C=CCCCCCOCCCCCCN 34a_100000686447_100000700193 [1,1,0,0,0,0|2,0,0]=4 5894 B14R0.392 C=CCCCCCOCCCCCCO 34a_100011216702_100000766143 [1,1,0,0,0,0|1,0,0]=3 5895 B14R0.392 C=CCCCCCOCCCCCCO 7a_100011216702_100000766143 [1,1,0,0,0,0|1,0,0]=3 5896 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000139337_100000700193 [1,1,0,0,0,0|1,0,1]=4 5897 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000700193_100000139337 [1,1,0,0,0,0|1,0,1]=4 5898 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000700193_100000766143 [1,1,0,0,0,0|1,0,0]=3 5899 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000766143_100000700193 [1,1,0,0,0,0|1,0,0]=3 5900 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [1,1,0,0,0,0|2,0,0]=4 5901 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [1,1,0,0,0,0|2,0,0]=4 5902 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [1,1,0,0,0,0|2,0,0]=4 5903 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [1,1,0,0,0,0|2,0,0]=4 5904 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100000703577_100000760002 [1,1,0,0,0,0|1,0,0]=3 5905 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100011996573_100011215482 [1,1,0,0,0,0|1,0,0]=3 5906 B14R0.392 C=CCCCCNCCCCCCCO 34a_100000703577_100000760002 [1,1,0,0,0,0|1,0,0]=3 5907 B14R0.392 C=CCCCCNCCCCCCCO 34a_100011996573_100011215482 [1,1,0,0,0,0|1,0,0]=3 5908 B14R0.392 C=CCCCCNCCCCCCOC 2230a_100000703577_100011998445 [1,1,0,0,0,0|2,0,0]=4 5909 B14R0.392 C=CCCCCNCCCCCCOC 34a_100000703577_100011998445 [1,1,0,0,0,0|2,0,0]=4 5910 B14R0.392 C=CCCCCNCCCOCCCO 2230a_100011310245_100011215482 [1,1,0,0,0,0|2,0,0]=4 5911 B14R0.392 C=CCCCCNCCCOCCCO 34a_100011310245_100011215482 [1,1,0,0,0,0|2,0,0]=4 5912 B14R0.392 C=CCCCCOCCCCCCCBr 34a_100000760002_100011215482 [1,1,0,0,0,0|2,0,0]=4 5913 B14R0.392 C=CCCCCOCCCCCCCBr 7a_100000760002_100011215482 [1,1,0,0,0,0|2,0,0]=4 5914 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [1,1,0,0,0,0|2,0,0]=4 5915 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [1,1,0,0,0,0|2,0,0]=4 5916 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [1,1,0,0,0,0|2,0,0]=4 5917 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [1,1,0,0,0,0|2,0,0]=4 5918 B14R0.392 C=CCCCCOCCCCCCCN 34a_100011996573_100011215482 [1,1,0,0,0,0|2,0,0]=4 5919 B14R0.392 C=CCCCCOCCCCCCCO 34a_100000766645_100000760002 [1,1,0,0,0,0|1,0,0]=3 5920 B14R0.392 C=CCCCCOCCCCCCCO 7a_100000766645_100000760002 [1,1,0,0,0,0|1,0,0]=3 5921 B14R0.392 C=CCCCCOCCCCCCOC 34a_100000766645_100011998445 [1,1,0,0,0,0|2,0,0]=4 5922 B14R0.392 C=CCCCCOCCCCCCOC 34a_200012092642_100011215482 [1,1,0,0,0,0|2,0,0]=4 5923 B14R0.392 C=CCCCCOCCCCCCOC 7a_100000766645_100011998445 [1,1,0,0,0,0|2,0,0]=4 5924 B14R0.392 C=CCCCCOCCCCCCOC 7a_200012092642_100011215482 [1,1,0,0,0,0|2,0,0]=4 5925 B14R0.392 C=CCCCCSCCCCCCCO 62a_100000760002_100011215482 [1,1,0,0,0,0|1,0,0]=3 5926 B14R0.392 C=CCCCCSCCCCCCCO 62a_100011215482_100000760002 [1,1,0,0,0,0|1,0,0]=3 5927 B14R0.392 C=CCCCCSCCCCCCOC 62a_100011215482_100011998445 [1,1,0,0,0,0|2,0,0]=4 5928 B14R0.392 C=CCCCCSCCCCCCOC 62a_100011998445_100011215482 [1,1,0,0,0,0|2,0,0]=4 5929 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [1,1,0,0,0,0|2,0,0]=4 5930 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [1,1,0,0,0,0|2,0,0]=4 5931 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [1,1,0,0,0,0|2,0,0]=4 5932 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [1,1,0,0,0,0|2,0,0]=4 5933 B14R0.392 C=CCCCNCCCCCCCCO 2230a_100000700776_100000033203 [1,1,0,0,0,0|1,0,0]=3 5934 B14R0.392 C=CCCCNCCCCCCCCO 2230a_102515433106_100011713584 [1,1,0,0,0,0|1,0,0]=3 5935 B14R0.392 C=CCCCNCCCCCCCCO 34a_100000700776_100000033203 [1,1,0,0,0,0|1,0,0]=3 5936 B14R0.392 C=CCCCNCCCCCCCCO 34a_102515433106_100000757094 [1,1,0,0,0,0|1,0,0]=3 5937 B14R0.392 C=CCCCOCCCCCCCCBr 34a_100009813846_100000757094 [1,1,0,0,0,0|2,0,0]=4 5938 B14R0.392 C=CCCCOCCCCCCCCBr 7a_100009813846_100000757094 [1,1,0,0,0,0|2,0,0]=4 5939 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [1,1,0,0,0,0|2,0,0]=4 5940 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [1,1,0,0,0,0|2,0,0]=4 5941 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [1,1,0,0,0,0|2,0,0]=4 5942 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [1,1,0,0,0,0|2,0,0]=4 5943 B14R0.392 C=CCCCOCCCCCCCCCl 34a_100000033203_100000757094 [1,1,0,0,0,0|2,0,0]=4 5944 B14R0.392 C=CCCCOCCCCCCCCCl 7a_100000033203_100000757094 [1,1,0,0,0,0|2,0,0]=4 5945 B14R0.392 C=CCCCOCCCCCCCCN 34a_102515433106_100000757094 [1,1,0,0,0,0|2,0,0]=4 5946 B14R0.392 C=CCCCOCCCCCCCCO 34a_100000758997_100000033203 [1,1,0,0,0,0|1,0,0]=3 5947 B14R0.392 C=CCCCOCCCCCCCCO 7a_100000758997_100000033203 [1,1,0,0,0,0|1,0,0]=3 5948 B14R0.392 C=CCCCSCCCCCCCCO 62a_100000033203_100000757094 [1,1,0,0,0,0|1,0,0]=3 5949 B14R0.392 C=CCCCSCCCCCCCCO 62a_100011713584_100000033203 [1,1,0,0,0,0|1,0,0]=3 5950 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [1,1,0,0,0,0|2,0,0]=4 5951 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [1,1,0,0,0,0|2,0,0]=4 5952 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [1,1,0,0,0,0|2,0,0]=4 5953 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100000078944_100000754431 [1,1,0,0,0,0|1,0,0]=3 5954 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100015191253_100009813782 [1,1,0,0,0,0|1,0,0]=3 5955 B14R0.392 C=CCCNCCCCCCCCCO 34a_100000078944_100000754431 [1,1,0,0,0,0|1,0,0]=3 5956 B14R0.392 C=CCCOCCCCCCCCCBr 34a_100009813782_100000754431 [1,1,0,0,0,0|2,0,0]=4 5957 B14R0.392 C=CCCOCCCCCCCCCBr 7a_100009813782_100000754431 [1,1,0,0,0,0|2,0,0]=4 5958 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [1,1,0,0,0,0|2,0,0]=4 5959 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [1,1,0,0,0,0|2,0,0]=4 5960 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [1,1,0,0,0,0|2,0,0]=4 5961 B14R0.392 C=CCCOCCCCCCCCCCl 34a_100009868337_100000754431 [1,1,0,0,0,0|2,0,0]=4 5962 B14R0.392 C=CCCOCCCCCCCCCCl 7a_100009868337_100000754431 [1,1,0,0,0,0|2,0,0]=4 5963 B14R0.392 C=CCCOCCCCCCCCCN 34a_100000078944_100000754431 [1,1,0,0,0,0|2,0,0]=4 5964 B14R0.392 C=CCCOCCCCCCCCCO 34a_100011205117_100009813782 [1,1,0,0,0,0|1,0,0]=3 5965 B14R0.392 C=CCCSCCCCCCCCCO 62a_100000754431_100009813782 [1,1,0,0,0,0|1,0,0]=3 5966 B14R0.392 C=CCCSCCCCCCCCCO 62a_100009813782_100000754431 [1,1,0,0,0,0|1,0,0]=3 5967 B14R0.392 C=CCNCCCCCCCCCCC 2230a_100020586998_100011215454 [1,1,0,0,0,0|2,0,0]=4 5968 B14R0.392 C=CCNCCCCCCCCCCC 2230a_200011215754_100000210623 [1,1,0,0,0,0|2,0,0]=4 5969 B14R0.392 C=CCNCCCCCCCCCCC 34a_200011215754_100015514636 [1,1,0,0,0,0|2,0,0]=4 5970 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100000066964_100000210623 [1,1,0,0,0,0|1,0,0]=3 5971 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100020586998_100009813290 [1,1,0,0,0,0|1,0,0]=3 5972 B14R0.392 C=CCNCCCCCCCCCCO 34a_100000066964_100015514636 [1,1,0,0,0,0|1,0,0]=3 5973 B14R0.392 C=CCOCCCCCCCCCCBr 34a_100009813290_100015514636 [1,1,0,0,0,0|2,0,0]=4 5974 B14R0.392 C=CCOCCCCCCCCCCBr 7a_100009813290_100015514636 [1,1,0,0,0,0|2,0,0]=4 5975 B14R0.392 C=CCOCCCCCCCCCCC 34a_100000210809_100015514636 [1,1,0,0,0,0|2,0,0]=4 5976 B14R0.392 C=CCOCCCCCCCCCCC 34a_200000210373_100011215454 [1,1,0,0,0,0|2,0,0]=4 5977 B14R0.392 C=CCOCCCCCCCCCCC 7a_100000210809_100015514636 [1,1,0,0,0,0|2,0,0]=4 5978 B14R0.392 C=CCOCCCCCCCCCCCl 34a_200000033068_100015514636 [1,1,0,0,0,0|2,0,0]=4 5979 B14R0.392 C=CCOCCCCCCCCCCCl 7a_200000033068_100015514636 [1,1,0,0,0,0|2,0,0]=4 5980 B14R0.392 C=CCOCCCCCCCCCCN 34a_100000066964_100015514636 [1,1,0,0,0,0|2,0,0]=4 5981 B14R0.392 C=CCOCCCCCCCCCCO 34a_200000210373_100009813290 [1,1,0,0,0,0|1,0,0]=3 5982 B14R0.392 C=CCOCCOCCCCCCCO 34a_100000037705_100000760002 [1,1,0,0,0,0|2,0,0]=4 5983 B14R0.392 C=CCOCCOCCCCCCCO 7a_100000037705_100000760002 [1,1,0,0,0,0|2,0,0]=4 5984 B14R0.392 C=CCSCCCCCCCCCCO 62a_100000210623_200000033068 [1,1,0,0,0,0|1,0,0]=3 5985 B14R0.392 C=CCSCCCCCCCCCCO 62a_100009813290_100000210623 [1,1,0,0,0,0|1,0,0]=3 5986 B14R0.392 C=COCCCCOCCCCCCO 34a_100000031558_100000766143 [1,1,0,0,0,0|2,0,0]=4 5987 B14R0.392 C=COCCCCOCCCCCCO 7a_100000031558_100000766143 [1,1,0,0,0,0|2,0,0]=4 5988 B14R0.392 C=COCCCNCCCCCCCO 2230a_100000210767_100000760002 [1,1,0,0,0,0|2,0,0]=4 5989 B14R0.392 C=COCCCNCCCCCCCO 34a_100000210767_100000760002 [1,1,0,0,0,0|2,0,0]=4 5990 B14R0.392 C=COCCNCCCCCCCCO 2230a_102515433106_100000039644 [1,1,0,0,0,0|2,0,0]=4 5991 B14R0.392 C=COCCNCCCCCCCCO 34a_102515433106_100000039644 [1,1,0,0,0,0|2,0,0]=4 5992 B14R0.392 C=COCCOCCCCCCCCO 34a_100000033082_100000033203 [1,1,0,0,0,0|2,0,0]=4 5993 B14R0.392 C=COCCSCCCCCCCCO 62a_100000033203_100000039644 [1,1,0,0,0,0|2,0,0]=4 5994 B14R0.392 C=COCCSCCCCCCCCO 62a_100000039644_100000033203 [1,1,0,0,0,0|2,0,0]=4 5995 B14R0.392 CC=CCCCOCCCCCCCO 34a_100020645299_100000760002 [1,1,0,0,0,0|1,0,1]=4 5996 B14R0.392 CC=CCNCCCCCCCCCO 2230a_100000078944_100000070051 [1,1,0,0,0,0|1,0,1]=4 5997 B14R0.392 CC=CCNCCCCCCCCCO 34a_100000078944_100000070051 [1,1,0,0,0,0|1,0,1]=4 5998 B14R0.392 CC=CCSCCCCCCCCCO 62a_100000070051_100009813782 [1,1,0,0,0,0|1,0,1]=4 5999 B14R0.392 CC=CCSCCCCCCCCCO 62a_100009813782_100000070051 [1,1,0,0,0,0|1,0,1]=4 6000 B14R0.392 CCCCCCCCCCCCCOC 34a_100000185773_200000210301 [1,1,0,0,0,0|1,0,1]=4 6001 B14R0.392 CCCCCCCCCCCCCOC 34a_100138415774_100000210684 [1,1,0,0,0,0|1,0,1]=4 6002 B14R0.392 CCCCCCCCCCCCCOC 7a_100000185773_200000210301 [1,1,0,0,0,0|1,0,1]=4 6003 B14R0.392 CCCCCCCCCCCCCO[13CH3] 34a_100000185773_200025704644 [1,1,0,0,0,0|1,0,1]=4 6004 B14R0.392 CCCCCCCCCCCCCO[13CH3] 7a_100000185773_200025704644 [1,1,0,0,0,0|1,0,1]=4 6005 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [1,1,0,0,0,0|1,0,0]=3 6006 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [1,1,0,0,0,0|1,0,0]=3 6007 B14R0.392 CCCCCCCCCCCNCCO 2230a_100016997473_100011215454 [1,1,0,0,0,0|1,0,1]=4 6008 B14R0.392 CCCCCCCCCCCNCCO 2230a_200011215754_100000211926 [1,1,0,0,0,0|1,0,1]=4 6009 B14R0.392 CCCCCCCCCCCNCCO 34a_100016990907_100011215454 [1,1,0,0,0,0|1,0,1]=4 6010 B14R0.392 CCCCCCCCCCCNCCO 34a_200011215754_100000211926 [1,1,0,0,0,0|1,0,1]=4 6011 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [1,1,0,0,0,0|1,0,0]=3 6012 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [1,1,0,0,0,0|1,0,0]=3 6013 B14R0.392 CCCCCCCCCCCOCCO 34a_100000210809_100000211926 [1,1,0,0,0,0|1,0,1]=4 6014 B14R0.392 CCCCCCCCCCCOCCO 7a_100000210809_100000211926 [1,1,0,0,0,0|1,0,1]=4 6015 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [1,1,0,0,0,0|1,0,0]=3 6016 B14R0.392 CCCCCCCCCCCSCCO 62a_100000211926_100011215454 [1,1,0,0,0,0|1,0,1]=4 6017 B14R0.392 CCCCCCCCCCNCCCO 2230a_100000684558_100000230001 [1,1,0,0,0,0|1,0,1]=4 6018 B14R0.392 CCCCCCCCCCNCCCO 34a_100000684558_100000230001 [1,1,0,0,0,0|1,0,1]=4 6019 B14R0.392 CCCCCCCCCCOCCCO 34a_100000210711_100000230001 [1,1,0,0,0,0|1,0,1]=4 6020 B14R0.392 CCCCCCCCCCOCCCO 7a_100000210711_100011215043 [1,1,0,0,0,0|1,0,1]=4 6021 B14R0.392 CCCCCCCCCCSCCCO 62a_100011215043_100000210320 [1,1,0,0,0,0|1,0,1]=4 6022 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [1,1,0,0,0,0|1,0,0]=3 6023 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000212291_100000210776 [1,1,0,0,0,0|1,0,1]=4 6024 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000750430_100011214924 [1,1,0,0,0,0|1,0,1]=4 6025 B14R0.392 CCCCCCCCCNCCCCO 34a_100000212291_100011216708 [1,1,0,0,0,0|1,0,1]=4 6026 B14R0.392 CCCCCCCCCNCCCCO 34a_100000750430_100011214924 [1,1,0,0,0,0|1,0,1]=4 6027 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [1,1,0,0,0,0|1,0,0]=3 6028 B14R0.392 CCCCCCCCCOCCCCO 34a_100000210712_100011216708 [1,1,0,0,0,0|1,0,1]=4 6029 B14R0.392 CCCCCCCCCOCCCCO 7a_100000210712_100000210776 [1,1,0,0,0,0|1,0,1]=4 6030 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [1,1,0,0,0,0|1,0,0]=3 6031 B14R0.392 CCCCCCCCCSCCCCO 62a_100000210776_100000210670 [1,1,0,0,0,0|1,0,1]=4 6032 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [1,1,0,0,0,0|1,0,0]=3 6033 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000229939_100000746330 [1,1,0,0,0,0|1,0,1]=4 6034 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000762737_100000210759 [1,1,0,0,0,0|1,0,1]=4 6035 B14R0.392 CCCCCCCCNCCCCCO 34a_100000229939_100000746330 [1,1,0,0,0,0|1,0,1]=4 6036 B14R0.392 CCCCCCCCNCCCCCO 34a_100000762737_100000210759 [1,1,0,0,0,0|1,0,1]=4 6037 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [1,1,0,0,0,0|1,0,0]=3 6038 B14R0.392 CCCCCCCCOCCCCCO 34a_100000210232_100000746330 [1,1,0,0,0,0|1,0,1]=4 6039 B14R0.392 CCCCCCCCOCCCCCO 7a_100000210232_100000746330 [1,1,0,0,0,0|1,0,1]=4 6040 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [1,1,0,0,0,0|1,0,0]=3 6041 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [1,1,0,0,0,0|1,0,0]=3 6042 B14R0.392 CCCCCCCCSCCCCCO 62a_100000210759_100000746330 [1,1,0,0,0,0|1,0,1]=4 6043 B14R0.392 CCCCCCCCSCCCCCO 62a_100000746330_100000210317 [1,1,0,0,0,0|1,0,1]=4 6044 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [1,1,0,0,0,0|1,0,0]=3 6045 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000229938_100000766143 [1,1,0,0,0,0|1,0,1]=4 6046 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000686447_100000210681 [1,1,0,0,0,0|1,0,1]=4 6047 B14R0.392 CCCCCCCNCCCCCCO 34a_100000686447_100000210614 [1,1,0,0,0,0|1,0,1]=4 6048 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [1,1,0,0,0,0|1,0,0]=3 6049 B14R0.392 CCCCCCCOCCCCCCO 34a_100000210272_100000766143 [1,1,0,0,0,0|1,0,1]=4 6050 B14R0.392 CCCCCCCOCCCCCCO 7a_100000210272_100000766143 [1,1,0,0,0,0|1,0,1]=4 6051 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [1,1,0,0,0,0|1,0,0]=3 6052 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [1,1,0,0,0,0|1,0,0]=3 6053 B14R0.392 CCCCCCCSCCCCCCO 62a_100000210614_100000766143 [1,1,0,0,0,0|1,0,1]=4 6054 B14R0.392 CCCCCCCSCCCCCCO 62a_100000766143_100000210316 [1,1,0,0,0,0|1,0,1]=4 6055 B14R0.392 CCCCCCNCCCCCCCO 2230a_100000210581_100000760002 [1,1,0,0,0,0|1,0,1]=4 6056 B14R0.392 CCCCCCNCCCCCCCO 2230a_100011996573_100000210314 [1,1,0,0,0,0|1,0,1]=4 6057 B14R0.392 CCCCCCNCCCCCCCO 34a_100011996573_100000210314 [1,1,0,0,0,0|1,0,1]=4 6058 B14R0.392 CCCCCCOCCCCCCCO 34a_100000210259_100000760002 [1,1,0,0,0,0|1,0,1]=4 6059 B14R0.392 CCCCCCOCCCCCCCO 7a_100000210259_100000760002 [1,1,0,0,0,0|1,0,1]=4 6060 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [1,1,0,0,0,0|2,0,0]=4 6061 B14R0.392 CCCCCCSCCCCCCCO 62a_100000210314_100000760002 [1,1,0,0,0,0|1,0,1]=4 6062 B14R0.392 CCCCCCSCCCCCCCO 62a_100000760002_100000210757 [1,1,0,0,0,0|1,0,1]=4 6063 B14R0.392 CCCCCNCCCCCCCCO 2230a_100000209983_100000033203 [1,1,0,0,0,0|1,0,1]=4 6064 B14R0.392 CCCCCNCCCCCCCCO 2230a_102515433106_100000210326 [1,1,0,0,0,0|1,0,1]=4 6065 B14R0.392 CCCCCNCCCCCCCCO 34a_102515433106_100000718602 [1,1,0,0,0,0|1,0,1]=4 6066 B14R0.392 CCCCCOCCCCCCCCO 34a_100000210253_100000033203 [1,1,0,0,0,0|1,0,1]=4 6067 B14R0.392 CCCCCOCCCCCCCCO 7a_100000210253_100000033203 [1,1,0,0,0,0|1,0,1]=4 6068 B14R0.392 CCCCCOCCOCCCCC=O 7a_100011215259_100000139335 [1,1,0,0,0,0|2,0,0]=4 6069 B14R0.392 CCCCCSCCCCCCCCO 62a_100000033203_100000210326 [1,1,0,0,0,0|1,0,1]=4 6070 B14R0.392 CCCCCSCCCCCCCCO 62a_100000210326_100000033203 [1,1,0,0,0,0|1,0,1]=4 6071 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000078944_100000210211 [1,1,0,0,0,0|1,0,1]=4 6072 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000102301_100009813782 [1,1,0,0,0,0|1,0,1]=4 6073 B14R0.392 CCCCNCCCCCCCCCO 34a_100000078944_100000210210 [1,1,0,0,0,0|1,0,1]=4 6074 B14R0.392 CCCCNCCCCCCCCCO 7a_106832991798_100009813782 [1,1,0,0,0,0|1,0,1]=4 6075 B14R0.392 CCCCOCCCCCCCCCO 34a_100000210227_100009813782 [1,1,0,0,0,0|1,0,1]=4 6076 B14R0.392 CCCCOCCCCCCCCCO 7a_100000210227_100009813782 [1,1,0,0,0,0|1,0,1]=4 6077 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [1,1,0,0,0,0|2,0,0]=4 6078 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [1,1,0,0,0,0|2,0,0]=4 6079 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [1,1,0,0,0,0|2,0,0]=4 6080 B14R0.392 CCCCOCCOCCCCCC=O 7a_100000210238_100000139337 [1,1,0,0,0,0|2,0,0]=4 6081 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000139337_100000743108 [1,1,0,0,0,0|2,0,0]=4 6082 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000743108_100000139337 [1,1,0,0,0,0|2,0,0]=4 6083 B14R0.392 CCCCSCCCCCCCCCO 62a_100000210211_100009813782 [1,1,0,0,0,0|1,0,1]=4 6084 B14R0.392 CCCCSCCCCCCCCCO 62a_100009813782_100000210210 [1,1,0,0,0,0|1,0,1]=4 6085 B14R0.392 CCCCSCCNCCCCCC=O 2230a_100025743550_100000139337 [1,1,0,0,0,0|2,0,0]=4 6086 B14R0.392 CCCCSCCOCCCCCC=O 7a_200000230436_100000139337 [1,1,0,0,0,0|2,0,0]=4 6087 B14R0.392 CCCNCCCCCCCCCCO 2230a_100000066964_100000210303 [1,1,0,0,0,0|1,0,1]=4 6088 B14R0.392 CCCNCCCCCCCCCCO 34a_100000066964_100000210303 [1,1,0,0,0,0|1,0,1]=4 6089 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [1,1,0,0,0,0|1,0,1]=4 6090 B14R0.392 CCCOCCCNCCCCCC=O 2230a_100011217757_100000139337 [1,1,0,0,0,0|2,0,0]=4 6091 B14R0.392 CCCSCCCCCCCCCCO 62a_100000210303_200000033068 [1,1,0,0,0,0|1,0,1]=4 6092 B14R0.392 CCCSCCCCCCCCCCO 62a_100009813290_100000210303 [1,1,0,0,0,0|1,0,1]=4 6093 B14R0.392 CCNCCCCCCCCCCCO 2230a_100015525214_100009812471 [1,1,0,0,0,0|1,0,1]=4 6094 B14R0.392 CCOCCCCCCCCCCCO 34a_100121572206_100009812471 [1,1,0,0,0,0|1,0,1]=4 6095 B14R0.392 CCSCCCCCCCCCCCO 62a_100009812471_100000210202 [1,1,0,0,0,0|1,0,1]=4 6096 B14R0.392 CNCCCCCCCCCCCCO 2230a_100000066677_200000210301 [1,1,0,0,0,0|1,0,1]=4 6097 B14R0.392 CNCCCCCCCCCCCCO 2230a_106832991635_100009813331 [1,1,0,0,0,0|1,0,1]=4 6098 B14R0.392 CNCCCCCCCCCCCCO 34a_100000066677_200000210301 [1,1,0,0,0,0|1,0,1]=4 6099 B14R0.392 CNCCCCCCCCCCCCO 34a_100102657272_100009813331 [1,1,0,0,0,0|1,0,1]=4 6100 B14R0.392 CNCCCCCCCCCCCCO 7a_106832991635_100009813331 [1,1,0,0,0,0|1,0,1]=4 6101 B14R0.392 CNCCCCCCOCCCCCO 2230a_106832991635_200132310570 [1,1,0,0,0,0|2,0,0]=4 6102 B14R0.392 CNCCCCCCOCCCCCO 34a_100102657272_200132310570 [1,1,0,0,0,0|2,0,0]=4 6103 B14R0.392 CNCCCCCCOCCCCCO 7a_106832991635_200132310570 [1,1,0,0,0,0|2,0,0]=4 6104 B14R0.392 CNCCCCCOCCCCCCO 34a_100000722520_100000766143 [1,1,0,0,0,0|2,0,0]=4 6105 B14R0.392 CNCCCOCCCCCCCCO 34a_100000213112_100000033203 [1,1,0,0,0,0|2,0,0]=4 6106 B14R0.392 COCCCCCCCCCCCCBr 34a_100009813331_200000210301 [1,1,0,0,0,0|1,0,1]=4 6107 B14R0.392 COCCCCCCCCCCCCBr 7a_100009813331_200000210301 [1,1,0,0,0,0|1,0,1]=4 6108 B14R0.392 COCCCCCCCCCCCCN 34a_100000066677_200000210301 [1,1,0,0,0,0|1,0,1]=4 6109 B14R0.392 COCCCCCCCCCCCCO 34a_100138415774_100009813331 [1,1,0,0,0,0|0,0,1]=3 6110 B14R0.392 COCCCCCCNCCCCCO 2230a_100000762737_100011998445 [1,1,0,0,0,0|1,0,1]=4 6111 B14R0.392 COCCCCCCNCCCCCO 34a_100000762737_100011998445 [1,1,0,0,0,0|1,0,1]=4 6112 B14R0.392 COCCCCCCOCCCCC=O 7a_200012092642_100000139335 [1,1,0,0,0,0|1,0,0]=3 6113 B14R0.392 COCCCCCCOCCCCCO 34a_100138415774_200132310570 [1,1,0,0,0,0|1,0,1]=4 6114 B14R0.392 COCCCCCCOCCCCCO 34a_200012092642_100000746330 [1,1,0,0,0,0|1,0,1]=4 6115 B14R0.392 COCCCCCCOCCCCCO 7a_200012092642_100000746330 [1,1,0,0,0,0|1,0,1]=4 6116 B14R0.392 COCCCCCCSCCCCC=O 62a_100000139335_100011998445 [1,1,0,0,0,0|1,0,0]=3 6117 B14R0.392 COCCCCCCSCCCCC=O 62a_100011998445_100000139335 [1,1,0,0,0,0|1,0,0]=3 6118 B14R0.392 COCCCCCCSCCCCCO 62a_100000746330_100011998445 [1,1,0,0,0,0|1,0,1]=4 6119 B14R0.392 COCCCCCCSCCCCCO 62a_100011998445_100000746330 [1,1,0,0,0,0|1,0,1]=4 6120 B14R0.392 COCCCCCNCCCCCC=O 2230a_100000747528_100000139337 [1,1,0,0,0,0|1,0,0]=3 6121 B14R0.392 COCCCCCNCCCCCCO 2230a_100000747528_100000766143 [1,1,0,0,0,0|1,0,1]=4 6122 B14R0.392 COCCCCCNCCCCCCO 34a_100000747528_100000766143 [1,1,0,0,0,0|1,0,1]=4 6123 B14R0.392 COCCCCNCCCCCCCO 2230a_100011996573_100000730899 [1,1,0,0,0,0|1,0,1]=4 6124 B14R0.392 COCCCCNCCCCCCCO 34a_100011996573_100000755781 [1,1,0,0,0,0|1,0,1]=4 6125 B14R0.392 COCCCCOCCCCCCCO 34a_100000740925_100000760002 [1,1,0,0,0,0|1,0,1]=4 6126 B14R0.392 COCCCCSCCCCCCCO 62a_100000730899_100000760002 [1,1,0,0,0,0|1,0,1]=4 6127 B14R0.392 COCCCCSCCCCCCCO 62a_100000760002_100000730899 [1,1,0,0,0,0|1,0,1]=4 6128 B14R0.392 COCCCNCCCCCCCCO 2230a_102515433106_100000740836 [1,1,0,0,0,0|1,0,1]=4 6129 B14R0.392 COCCCNCCCCCCCCO 34a_100150723488_100000033203 [1,1,0,0,0,0|1,0,1]=4 6130 B14R0.392 COCCCNCCCCCCCCO 34a_102515433106_100000740836 [1,1,0,0,0,0|1,0,1]=4 6131 B14R0.392 COCCCOCCCCCCCCO 34a_100000740835_100000033203 [1,1,0,0,0,0|1,0,1]=4 6132 B14R0.392 COCCCOCCCOCCCC=O 7a_200011215475_200011292268 [1,1,0,0,0,0|2,0,0]=4 6133 B14R0.392 COCCCSCCCCCCCCO 62a_100000033203_100000709357 [1,1,0,0,0,0|1,0,1]=4 6134 B14R0.392 COCCCSCCCCCCCCO 62a_100000709357_100000033203 [1,1,0,0,0,0|1,0,1]=4 6135 B14R0.392 COCCNCCCCCCCCCO 2230a_100000078944_100011201679 [1,1,0,0,0,0|1,0,1]=4 6136 B14R0.392 COCCNCCCCCCCCCO 2230a_100000209980_100009813782 [1,1,0,0,0,0|1,0,1]=4 6137 B14R0.392 COCCNCCCCCCCCCO 34a_100000078944_100011201679 [1,1,0,0,0,0|1,0,1]=4 6138 B14R0.392 COCCOCCCCCCCCCO 34a_100000210237_100009813782 [1,1,0,0,0,0|1,0,1]=4 6139 B14R0.392 COCCOCCCNCCCCC=O 2230a_100000206027_100000139335 [1,1,0,0,0,0|2,0,0]=4 6140 B14R0.392 COCCOCCCSCCCCC=O 62a_100000139335_100011216529 [1,1,0,0,0,0|2,0,0]=4 6141 B14R0.392 COCCOCCCSCCCCC=O 62a_100011216529_100000139335 [1,1,0,0,0,0|2,0,0]=4 6142 B14R0.392 COCCOCCNCCCCCC=O 2230a_100000745349_100000139337 [1,1,0,0,0,0|2,0,0]=4 6143 B14R0.392 COCCOCCOCCCCCC=O 7a_100011215163_100000139337 [1,1,0,0,0,0|2,0,0]=4 6144 B14R0.392 COCCOCCSCCCCCC=O 62a_100000139337_100000695917 [1,1,0,0,0,0|2,0,0]=4 6145 B14R0.392 COCCOCCSCCCCCC=O 62a_100000695917_100000139337 [1,1,0,0,0,0|2,0,0]=4 6146 B14R0.392 COCCSCCCCCCCCCO 62a_100000233755_100009813782 [1,1,0,0,0,0|1,0,1]=4 6147 B14R0.392 COCCSCCCCCCCCCO 62a_100009813782_100000233755 [1,1,0,0,0,0|1,0,1]=4 6148 B14R0.392 COCNCCCCCCCCCCO 2230a_100000066964_100000766300 [1,1,0,0,0,0|1,0,1]=4 6149 B14R0.392 COCSCCCCCCCCCCO 62a_100000766300_200000033068 [1,1,0,0,0,0|1,0,1]=4 6150 B14R0.392 COCSCCCCCCCCCCO 62a_100009813290_100000766300 [1,1,0,0,0,0|1,0,1]=4 6151 B14R0.392 CSCCCCCCCCCCCCO 62a_100009813331_200000210301 [1,1,0,0,0,0|0,1,1]=4 6152 B14R0.392 CSCCCCCCOCCCCCO 62a_200000210301_200132310570 [1,1,0,0,0,0|2,0,0]=4 6153 B14R0.392 CSCCCCCCOCCCCCO 62a_200132310570_200000210301 [1,1,0,0,0,0|2,0,0]=4 6154 B14R0.392 CSCCCCOCCCCCCCO 34a_100011217163_100000760002 [1,1,0,0,0,0|2,0,0]=4 6155 B14R0.392 CSCCCCOCCCCCCCO 7a_100011217163_100000760002 [1,1,0,0,0,0|2,0,0]=4 6156 B14R0.392 CSCCCNCCCCCCCCO 2230a_100000749238_100000033203 [1,1,0,0,0,0|2,0,0]=4 6157 B14R0.392 CSCCCOCCCCCCCCO 34a_100000690336_100000033203 [1,1,0,0,0,0|2,0,0]=4 6158 B14R0.392 CSCCCOCCCCCCCCO 7a_100000690336_100000033203 [1,1,0,0,0,0|2,0,0]=4 6159 B14R0.392 CSCCNCCCCCCCCCO 2230a_100000078944_100000751147 [1,1,0,0,0,0|2,0,0]=4 6160 B14R0.392 CSCCNCCCCCCCCCO 2230a_100020590264_100009813782 [1,1,0,0,0,0|2,0,0]=4 6161 B14R0.392 CSCCNCCCCCCCCCO 34a_100000078944_100000212216 [1,1,0,0,0,0|2,0,0]=4 6162 B14R0.392 CSCCOCCCCCCCCCO 34a_100000230434_100009813782 [1,1,0,0,0,0|2,0,0]=4 6163 B14R0.392 CSCCOCCCCCCCCCO 7a_100000230434_100009813782 [1,1,0,0,0,0|2,0,0]=4 6164 B14R0.392 CSCCSCCCCCCCCCO 62a_100000212216_100009813782 [1,1,0,0,0,0|2,0,0]=4 6165 B14R0.392 CSCCSCCCCCCCCCO 62a_100009813782_100000751147 [1,1,0,0,0,0|2,0,0]=4 6166 B14R0.392 CSCNCCCCCCCCCCO 2230a_100000066964_100011218213 [1,1,0,0,0,0|2,0,0]=4 6167 B14R0.392 CSCNCCCCCCCCCCO 34a_100000066964_100011218213 [1,1,0,0,0,0|2,0,0]=4 6168 B14R0.392 CSCSCCCCCCCCCCO 62a_100009813290_100011218213 [1,1,0,0,0,0|2,0,0]=4 6169 B14R0.392 CSCSCCCCCCCCCCO 62a_100011218213_200000033068 [1,1,0,0,0,0|2,0,0]=4 6170 B14R0.392 N#CCCCCCCNCCCCCO 2230a_100000762737_100009813337 [1,1,0,0,0,0|1,0,1]=4 6171 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100000139335_100009813337 [1,1,0,0,0,0|1,0,1]=4 6172 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100009813337_100000139335 [1,1,0,0,0,0|1,0,1]=4 6173 B14R0.392 N#CCCCCCCSCCCCCO 62a_100000746330_100009813337 [1,1,0,0,0,0|1,0,1]=4 6174 B14R0.392 N#CCCCCCCSCCCCCO 62a_100009813337_100000746330 [1,1,0,0,0,0|1,0,1]=4 6175 B14R0.392 N#CCCCCCNCCCCCCO 2230a_100000686447_100009813376 [1,1,0,0,0,0|1,0,1]=4 6176 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100000139337_100009813376 [1,1,0,0,0,0|1,0,1]=4 6177 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100009813376_100000139337 [1,1,0,0,0,0|1,0,1]=4 6178 B14R0.392 N#CCCCCCSCCCCCCO 62a_100000766143_100009813376 [1,1,0,0,0,0|1,0,1]=4 6179 B14R0.392 N#CCCCCCSCCCCCCO 62a_100009813376_100000766143 [1,1,0,0,0,0|1,0,1]=4 6180 B14R0.392 N#CCCCCNCCCCCCCO 2230a_100011996573_100000211819 [1,1,0,0,0,0|1,0,1]=4 6181 B14R0.392 N#CCCCCSCCCCCCCO 62a_100000760002_100000211819 [1,1,0,0,0,0|1,0,1]=4 6182 B14R0.392 N#CCCCCSCCCCCCCO 62a_100011219923_100000760002 [1,1,0,0,0,0|1,0,1]=4 6183 B14R0.392 N#CCCCNCCCCCCCCO 2230a_102515433106_100000687738 [1,1,0,0,0,0|1,0,1]=4 6184 B14R0.392 N#CCCCSCCCCCCCCO 62a_100000033203_100000687738 [1,1,0,0,0,0|1,0,1]=4 6185 B14R0.392 N#CCCCSCCCCCCCCO 62a_100000687738_100000033203 [1,1,0,0,0,0|1,0,1]=4 6186 B14R0.392 N#CCCNCCCCCCCCCO 2230a_100000078944_100011215226 [1,1,0,0,0,0|1,0,1]=4 6187 B14R0.392 N#CCCSCCCCCCCCCO 62a_100009813782_100011215226 [1,1,0,0,0,0|1,0,1]=4 6188 B14R0.392 N#CCCSCCCCCCCCCO 62a_100011215226_100009813782 [1,1,0,0,0,0|1,0,1]=4 6189 B14R0.392 N#CCNCCCCCCCCCCO 2230a_100000066964_100011215382 [1,1,0,0,0,0|1,0,1]=4 6190 B14R0.392 N#CCSCCCCCCCCCCO 62a_100009813290_100011215382 [1,1,0,0,0,0|1,0,1]=4 6191 B14R0.392 N#CCSCCCCCCCCCCO 62a_100011215382_200000033068 [1,1,0,0,0,0|1,0,1]=4 6192 B14R0.392 NCCCCCCCCCCOCC=O 34a_100000066964_200009817547 [1,1,0,0,0,0|1,0,0]=3 6193 B14R0.392 NCCCCCCCCCCOCCO 34a_100000066964_100000211926 [1,1,0,0,0,0|1,0,1]=4 6194 B14R0.392 NCCCCCCCCCOCCCO 34a_100000078944_100000230001 [1,1,0,0,0,0|1,0,1]=4 6195 B14R0.392 NCCCCCCCCOCCCCO 34a_102515433106_100011216708 [1,1,0,0,0,0|1,0,1]=4 6196 B14R0.392 NCCCCCCCOCCCCCO 34a_100011996573_100000746330 [1,1,0,0,0,0|1,0,1]=4 6197 B14R0.392 NCCCCCCOCCCCCCO 34a_100000686447_100000766143 [1,1,0,0,0,0|1,0,1]=4 6198 B14R0.392 NCCCCCOCCCCCCCO 34a_100000762737_100000760002 [1,1,0,0,0,0|1,0,1]=4 6199 B14R0.392 NCCCCOCCCCCCCCO 34a_100000750430_100000033203 [1,1,0,0,0,0|1,0,1]=4 6200 B14R0.392 NCCCOCCCCCCCCCO 34a_100000182051_100009813782 [1,1,0,0,0,0|1,0,1]=4 6201 B14R0.392 NCCOCCCCCCCCCCO 34a_100000210304_100009813290 [1,1,0,0,0,0|1,0,1]=4 6202 B14R0.392 NOCCOCCCCCCCCCO 34a_100000700252_100009813782 [1,1,0,0,0,0|1,0,1]=4 6203 B14R0.392 O=CCCCCCNCCCCCCO 2230a_100000686447_100000139337 [1,1,0,0,0,0|0,0,0]=2 6204 B14R0.392 O=CCCCCCOCCCCCCBr 7a_100011215345_100000139337 [1,1,0,0,0,0|1,0,0]=3 6205 B14R0.392 O=CCCCCCOCCCCCCCl 7a_100000766143_100000139337 [1,1,0,0,0,0|1,0,0]=3 6206 B14R0.392 O=CCCCCCOCCCCCCF 7a_100000732779_100000139337 [1,1,0,0,0,0|1,0,0]=3 6207 B14R0.392 O=CCCCCCSCCCCCC=O 62a_100000139337_100000139337 [1,1,0,0,0,0|0,0,2]=4 6208 B14R0.392 O=CCCCCCSCCCCCCF 62a_100000139337_100015922095 [1,1,0,0,0,0|1,0,0]=3 6209 B14R0.392 O=CCCCCCSCCCCCCF 62a_100015922095_100000139337 [1,1,0,0,0,0|1,0,0]=3 6210 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000139337_100000766143 [1,1,0,0,0,0|0,0,0]=2 6211 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000766143_100000139337 [1,1,0,0,0,0|0,0,0]=2 6212 B14R0.392 O=CCCCCNCCCCCCCO 2230a_100011996573_100000139335 [1,1,0,0,0,0|0,0,0]=2 6213 B14R0.392 O=CCCCCNCCCOCCCO 2230a_100011310245_100000139335 [1,1,0,0,0,0|1,0,0]=3 6214 B14R0.392 O=CCCCCOCCCCCCCBr 7a_100000760002_100000139335 [1,1,0,0,0,0|1,0,0]=3 6215 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000139335_100000760002 [1,1,0,0,0,0|0,0,0]=2 6216 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000760002_100000139335 [1,1,0,0,0,0|0,0,0]=2 6217 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [1,1,0,0,0,0|0,0,0]=2 6218 B14R0.392 O=CCCCNCCOCCOCCO 2230a_100011998139_200011292268 [1,1,0,0,0,0|2,0,0]=4 6219 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [1,1,0,0,0,0|1,0,0]=3 6220 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [1,1,0,0,0,0|1,0,0]=3 6221 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [1,1,0,0,0,0|0,0,0]=2 6222 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [1,1,0,0,0,0|0,0,0]=2 6223 B14R0.392 O=CCCCSCCOCCOCCO 62a_100000032323_200011292268 [1,1,0,0,0,0|2,0,0]=4 6224 B14R0.392 O=CCCCSCCOCCOCCO 62a_200011292268_100000032323 [1,1,0,0,0,0|2,0,0]=4 6225 B14R0.392 O=CCNCCCCCCCCCCO 2230a_100000066964_200015260668 [1,1,0,0,0,0|0,0,0]=2 6226 B14R0.392 O=CCNCCCCCCCCCCO 34a_100000066964_200009817547 [1,1,0,0,0,0|0,0,0]=2 6227 B14R0.392 O=CCOCCCCCCCCCCBr 34a_100009813290_200009817547 [1,1,0,0,0,0|1,0,0]=3 6228 B14R0.392 O=CCOCCCCCCCCCCBr 7a_100009813290_200015260668 [1,1,0,0,0,0|1,0,0]=3 6229 B14R0.392 O=CCOCCCCCCCCCCCl 34a_200000033068_200009817547 [1,1,0,0,0,0|1,0,0]=3 6230 B14R0.392 O=CCOCCCCCCCCCCCl 7a_200000033068_200015260668 [1,1,0,0,0,0|1,0,0]=3 6231 B14R0.392 O=CCSCCCCCCCCCCO 62a_100009813290_200015260668 [1,1,0,0,0,0|0,0,0]=2 6232 B14R0.392 O=CCSCCCCCCCCCCO 62a_200015260668_200000033068 [1,1,0,0,0,0|0,0,0]=2 6233 B14R0.392 OCCCCCCCCCCCSCF 62a_100009812471_100015361967 [1,1,0,0,0,0|1,0,1]=4 6234 B14R0.392 OCCCCCCCCCCNCCF 2230a_100000066964_100011217306 [1,1,0,0,0,0|1,0,1]=4 6235 B14R0.392 OCCCCCCCCCCNCCF 34a_100000066964_100011217306 [1,1,0,0,0,0|1,0,1]=4 6236 B14R0.392 OCCCCCCCCCCNCCF 34a_100000724931_100009813290 [1,1,0,0,0,0|1,0,1]=4 6237 B14R0.392 OCCCCCCCCCCNCCO 2230a_100000066964_100000211926 [1,1,0,0,0,0|0,0,1]=3 6238 B14R0.392 OCCCCCCCCCCNCCO 2230a_100016997473_100009813290 [1,1,0,0,0,0|0,0,1]=3 6239 B14R0.392 OCCCCCCCCCCNCCO 34a_100000066964_100000211926 [1,1,0,0,0,0|0,0,1]=3 6240 B14R0.392 OCCCCCCCCCCNCCO 34a_100016990907_100009813290 [1,1,0,0,0,0|0,0,1]=3 6241 B14R0.392 OCCCCCCCCCCOCCBr 34a_100000211926_100009813290 [1,1,0,0,0,0|1,0,1]=4 6242 B14R0.392 OCCCCCCCCCCSCCF 62a_100009813290_100011217306 [1,1,0,0,0,0|1,0,1]=4 6243 B14R0.392 OCCCCCCCCCCSCCF 62a_100011217306_200000033068 [1,1,0,0,0,0|1,0,1]=4 6244 B14R0.392 OCCCCCCCCCCSCCO 62a_100000211926_200000033068 [1,1,0,0,0,0|0,0,1]=3 6245 B14R0.392 OCCCCCCCCCCSCCO 62a_100009813290_100000211926 [1,1,0,0,0,0|0,0,1]=3 6246 B14R0.392 OCCCCCCCCCNCCCF 2230a_100000078944_100011934791 [1,1,0,0,0,0|1,0,1]=4 6247 B14R0.392 OCCCCCCCCCNCCCF 2230a_100015189416_100009813782 [1,1,0,0,0,0|1,0,1]=4 6248 B14R0.392 OCCCCCCCCCNCCCF 34a_100000078944_100011934791 [1,1,0,0,0,0|1,0,1]=4 6249 B14R0.392 OCCCCCCCCCNCCCF 34a_100015189416_100009813782 [1,1,0,0,0,0|1,0,1]=4 6250 B14R0.392 OCCCCCCCCCNCCCO 2230a_100000078944_100000230001 [1,1,0,0,0,0|0,0,1]=3 6251 B14R0.392 OCCCCCCCCCNCCCO 34a_100000078944_100000230001 [1,1,0,0,0,0|0,0,1]=3 6252 B14R0.392 OCCCCCCCCCOCCCBr 34a_100011217188_100009813782 [1,1,0,0,0,0|1,0,1]=4 6253 B14R0.392 OCCCCCCCCCOCCCCl 34a_100000230001_100009813782 [1,1,0,0,0,0|1,0,1]=4 6254 B14R0.392 OCCCCCCCCCOCCCF 34a_100000759539_100009813782 [1,1,0,0,0,0|1,0,1]=4 6255 B14R0.392 OCCCCCCCCCSCCCF 62a_100009813782_100011934791 [1,1,0,0,0,0|1,0,1]=4 6256 B14R0.392 OCCCCCCCCCSCCCF 62a_100011934791_100009813782 [1,1,0,0,0,0|1,0,1]=4 6257 B14R0.392 OCCCCCCCCCSCCCO 62a_100009813782_100011215043 [1,1,0,0,0,0|0,0,1]=3 6258 B14R0.392 OCCCCCCCCCSCCCO 62a_100011215043_100009813782 [1,1,0,0,0,0|0,0,1]=3 6259 B14R0.392 OCCCCCCCCNCCCCF 2230a_102515433106_100000729493 [1,1,0,0,0,0|1,0,1]=4 6260 B14R0.392 OCCCCCCCCNCCCCF 34a_102515433106_100000729493 [1,1,0,0,0,0|1,0,1]=4 6261 B14R0.392 OCCCCCCCCNCCCCO 2230a_100000750430_100000033203 [1,1,0,0,0,0|0,0,1]=3 6262 B14R0.392 OCCCCCCCCNCCCCO 2230a_102515433106_100000210776 [1,1,0,0,0,0|0,0,1]=3 6263 B14R0.392 OCCCCCCCCNCCCCO 34a_100000750430_100000033203 [1,1,0,0,0,0|0,0,1]=3 6264 B14R0.392 OCCCCCCCCNCCCCO 34a_102515433106_100011216708 [1,1,0,0,0,0|0,0,1]=3 6265 B14R0.392 OCCCCCCCCOCCCCBr 34a_100011216708_100000033203 [1,1,0,0,0,0|1,0,1]=4 6266 B14R0.392 OCCCCCCCCOCCCCCl 34a_100000210776_100000033203 [1,1,0,0,0,0|1,0,1]=4 6267 B14R0.392 OCCCCCCCCOCCCCCl 7a_100000210776_100000033203 [1,1,0,0,0,0|1,0,1]=4 6268 B14R0.392 OCCCCCCCCOCCCCF 34a_100011995726_100000033203 [1,1,0,0,0,0|1,0,1]=4 6269 B14R0.392 OCCCCCCCCOCCCCF 7a_100011995726_100000033203 [1,1,0,0,0,0|1,0,1]=4 6270 B14R0.392 OCCCCCCCCOCCCCI 34a_200012148704_100000033203 [1,1,0,0,0,0|1,0,1]=4 6271 B14R0.392 OCCCCCCCCSCCCCF 62a_100000033203_100000729493 [1,1,0,0,0,0|1,0,1]=4 6272 B14R0.392 OCCCCCCCCSCCCCF 62a_100000729493_100000033203 [1,1,0,0,0,0|1,0,1]=4 6273 B14R0.392 OCCCCCCCCSCCCCO 62a_100000033203_100000210776 [1,1,0,0,0,0|0,0,1]=3 6274 B14R0.392 OCCCCCCCCSCCCCO 62a_100000210776_100000033203 [1,1,0,0,0,0|0,0,1]=3 6275 B14R0.392 OCCCCCCCNCCCCCF 2230a_100011996573_100000729378 [1,1,0,0,0,0|1,0,1]=4 6276 B14R0.392 OCCCCCCCNCCCCCF 34a_100011996573_100000729378 [1,1,0,0,0,0|1,0,1]=4 6277 B14R0.392 OCCCCCCCNCCCCCO 2230a_100000762737_100000760002 [1,1,0,0,0,0|0,0,1]=3 6278 B14R0.392 OCCCCCCCNCCCCCO 2230a_100011996573_100000746330 [1,1,0,0,0,0|0,0,1]=3 6279 B14R0.392 OCCCCCCCNCCCCCO 34a_100000762737_100000760002 [1,1,0,0,0,0|0,0,1]=3 6280 B14R0.392 OCCCCCCCNCCCCCO 34a_100011996573_100000746330 [1,1,0,0,0,0|0,0,1]=3 6281 B14R0.392 OCCCCCCCNCCOCCO 2230a_100000211614_100000760002 [1,1,0,0,0,0|1,0,1]=4 6282 B14R0.392 OCCCCCCCNCCOCCO 2230a_100011996573_100011215305 [1,1,0,0,0,0|1,0,1]=4 6283 B14R0.392 OCCCCCCCNCCOCCO 34a_100000211614_100000760002 [1,1,0,0,0,0|1,0,1]=4 6284 B14R0.392 OCCCCCCCNCCOCCO 34a_100011996573_100000692535 [1,1,0,0,0,0|1,0,1]=4 6285 B14R0.392 OCCCCCCCNCCSCCO 2230a_100011219999_100000760002 [1,1,0,0,0,0|1,0,1]=4 6286 B14R0.392 OCCCCCCCOCCCCCBr 34a_100000746331_100000760002 [1,1,0,0,0,0|1,0,1]=4 6287 B14R0.392 OCCCCCCCOCCCCCBr 7a_100000746331_100000760002 [1,1,0,0,0,0|1,0,1]=4 6288 B14R0.392 OCCCCCCCOCCCCCCl 34a_100000746330_100000760002 [1,1,0,0,0,0|1,0,1]=4 6289 B14R0.392 OCCCCCCCOCCCCCCl 7a_100000746330_100000760002 [1,1,0,0,0,0|1,0,1]=4 6290 B14R0.392 OCCCCCCCOCCCCCI 34a_200012148887_100000760002 [1,1,0,0,0,0|1,0,1]=4 6291 B14R0.392 OCCCCCCCOCCCCCI 7a_200012148887_100000760002 [1,1,0,0,0,0|1,0,1]=4 6292 B14R0.392 OCCCCCCCSCCCCCF 62a_100000729378_100000760002 [1,1,0,0,0,0|1,0,1]=4 6293 B14R0.392 OCCCCCCCSCCCCCF 62a_100000760002_100000729378 [1,1,0,0,0,0|1,0,1]=4 6294 B14R0.392 OCCCCCCCSCCCCCO 62a_100000746330_100000760002 [1,1,0,0,0,0|0,0,1]=3 6295 B14R0.392 OCCCCCCCSCCCCCO 62a_100000760002_100000746330 [1,1,0,0,0,0|0,0,1]=3 6296 B14R0.392 OCCCCCCCSCCOCCO 62a_100000760002_100011215305 [1,1,0,0,0,0|1,0,1]=4 6297 B14R0.392 OCCCCCCCSCCOCCO 62a_100011215305_100000760002 [1,1,0,0,0,0|1,0,1]=4 6298 B14R0.392 OCCCCCCNCCCCCCF 2230a_100000686447_100015922095 [1,1,0,0,0,0|1,0,1]=4 6299 B14R0.392 OCCCCCCNCCCCCCF 34a_100000686447_100015922095 [1,1,0,0,0,0|1,0,1]=4 6300 B14R0.392 OCCCCCCNCCCCCCO 2230a_100000686447_100000766143 [1,1,0,0,0,0|0,0,1]=3 6301 B14R0.392 OCCCCCCNCCCCCCO 34a_100000686447_100000766143 [1,1,0,0,0,0|0,0,1]=3 6302 B14R0.392 OCCCCCCOCCCCCCBr 34a_100011215345_100000766143 [1,1,0,0,0,0|1,0,1]=4 6303 B14R0.392 OCCCCCCOCCCCCCBr 7a_100011215345_100000766143 [1,1,0,0,0,0|1,0,1]=4 6304 B14R0.392 OCCCCCCOCCCCCCCl 34a_100000766143_100000766143 [1,1,0,0,0,0|1,0,1]=4 6305 B14R0.392 OCCCCCCOCCCCCCCl 7a_100000766143_100000766143 [1,1,0,0,0,0|1,0,1]=4 6306 B14R0.392 OCCCCCCOCCCCCCF 34a_100000732779_100000766143 [1,1,0,0,0,0|1,0,1]=4 6307 B14R0.392 OCCCCCCOCCCCCCF 7a_100000732779_100000766143 [1,1,0,0,0,0|1,0,1]=4 6308 B14R0.392 OCCCCCCSCCCCCCF 62a_100000766143_100015922095 [1,1,0,0,0,0|1,0,1]=4 6309 B14R0.392 OCCCCCCSCCCCCCF 62a_100015922095_100000766143 [1,1,0,0,0,0|1,0,1]=4 6310 B14R0.392 OCCCCCCSCCCCCCO 62a_100000766143_100000766143 [1,1,0,0,0,0|0,0,1]=3 6311 B14R0.392 OCCCCCNCCCOCCCO 2230a_100011310245_100000746330 [1,1,0,0,0,0|1,0,1]=4 6312 B14R0.392 OCCCCCNCCCOCCCO 34a_100011310245_100000746330 [1,1,0,0,0,0|1,0,1]=4 6313 B14R0.392 OCCCCCOCCCCCCCBr 34a_100000760002_100000746330 [1,1,0,0,0,0|1,0,1]=4 6314 B14R0.392 OCCCCCOCCCCCCCBr 7a_100000760002_100000746330 [1,1,0,0,0,0|1,0,1]=4 6315 B14R0.392 OCCCCOCCCCCCCCBr 34a_100009813846_100011216708 [1,1,0,0,0,0|1,0,1]=4 6316 B14R0.392 OCCCCOCCCCCCCCBr 7a_100009813846_100000210776 [1,1,0,0,0,0|1,0,1]=4 6317 B14R0.392 OCCCCOCCCCCCCCCl 34a_100000033203_100011216708 [1,1,0,0,0,0|1,0,1]=4 6318 B14R0.392 OCCCCOCCCCCCCCCl 7a_100000033203_100000210776 [1,1,0,0,0,0|1,0,1]=4 6319 B14R0.392 OCCCOCCCCCCCCCBr 34a_100009813782_100000230001 [1,1,0,0,0,0|1,0,1]=4 6320 B14R0.392 OCCCOCCCCCCCCCBr 7a_100009813782_100011215043 [1,1,0,0,0,0|1,0,1]=4 6321 B14R0.392 OCCCOCCCCCCCCCCl 34a_100009868337_100000230001 [1,1,0,0,0,0|1,0,1]=4 6322 B14R0.392 OCCCOCCCCCCCCCCl 7a_100009868337_100011215043 [1,1,0,0,0,0|1,0,1]=4 6323 B14R0.392 OCCOCCCCCCCCCCBr 34a_100009813290_100000211926 [1,1,0,0,0,0|1,0,1]=4 6324 B14R0.392 OCCOCCCCCCCCCCBr 7a_100009813290_100000211926 [1,1,0,0,0,0|1,0,1]=4 6325 B14R0.392 OCCOCCCCCCCCCCCl 34a_200000033068_100000211926 [1,1,0,0,0,0|1,0,1]=4 6326 B14R0.392 OCCOCCCCCCCCCCCl 7a_200000033068_100000211926 [1,1,0,0,0,0|1,0,1]=4 6327 B14R0.392 [13CH3]NCCCCCCCCCCCCO 2230a_100000066677_200025704644 [1,1,0,0,0,0|1,0,1]=4 6328 B14R0.392 [13CH3]NCCCCCCCCCCCCO 34a_100000066677_200025704644 [1,1,0,0,0,0|1,0,1]=4 6329 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 34a_100009813331_200025704644 [1,1,0,0,0,0|1,0,1]=4 6330 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 7a_100009813331_200025704644 [1,1,0,0,0,0|1,0,1]=4 6331 B14R0.392 [13CH3]OCCCCCCCCCCCCN 34a_100000066677_200025704644 [1,1,0,0,0,0|1,0,1]=4 6332 B14R0.392 [13CH3]SCCCCCCCCCCCCO 62a_100009813331_200025704644 [1,1,0,0,0,0|0,1,1]=4 6333 B14R0.392 [13CH3]SCCCCCCOCCCCCO 62a_200025704644_200132310570 [1,1,0,0,0,0|2,0,0]=4 6334 B14R0.392 [13CH3]SCCCCCCOCCCCCO 62a_200132310570_200025704644 [1,1,0,0,0,0|2,0,0]=4 6335 B14R0.393 C=CCC(=O)CCCCCCCCCO 1458a_100000210193_100009813782 [1,1,0,0,0,0|1,0,1]=4 6336 B14R0.393 C=CCC(C)COCCCCCCCO 34a_100009832082_100000760002 [1,1,0,0,0,0|2,0,0]=4 6337 B14R0.393 C=CCC(C)COCCCCCCCO 7a_100009832082_100000760002 [1,1,0,0,0,0|2,0,0]=4 6338 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100000211349_100000211926 [1,1,0,0,0,0|1,0,1]=4 6339 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100011216618_100011933949 [1,1,0,0,0,0|1,0,1]=4 6340 B14R0.393 C=CCCCCCCCCN(C)CCO 2230a_100000210263_100011933949 [1,1,0,0,0,0|2,0,0]=4 6341 B14R0.393 C=CCCCCCCCCN(C)CCO 269982a_100000210263_100011933949 [1,1,0,0,0,0|2,0,0]=4 6342 B14R0.393 C=CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100012355270 [1,1,0,0,0,0|2,0,0]=4 6343 B14R0.393 C=CCCCCCCCN[C@H](C)CCO 34a_100000706166_100012355270 [1,1,0,0,0,0|2,0,0]=4 6344 B14R0.393 C=CCCCCCCCOC(C)CCO 34a_100000730831_100009893172 [1,1,0,0,0,0|2,0,0]=4 6345 B14R0.393 C=CCCCCCCCOC(C)CCO 7a_100000730831_100009893172 [1,1,0,0,0,0|2,0,0]=4 6346 B14R0.393 C=CCCCCCCCSC(C)CCO 62a_100009893172_100012355270 [1,1,0,0,0,0|2,0,0]=4 6347 B14R0.393 C=CCCCCCCCSC(C)CCO 62a_100012355270_100009893172 [1,1,0,0,0,0|2,0,0]=4 6348 B14R0.393 C=CCN(C)CCCCCCCCCO 2230a_100000225617_100009813782 [1,1,0,0,0,0|2,0,0]=4 6349 B14R0.393 C=CCN(C)CCCCCCCCCO 269982a_100000225617_100009813782 [1,1,0,0,0,0|2,0,0]=4 6350 B14R0.393 C=CC[C@@H](C)OCCCCCCCCO 34a_100000731007_100000033203 [1,1,0,0,0,0|2,0,0]=4 6351 B14R0.393 C=CC[C@@H](C)OCCCCCCCCO 7a_100000731007_100000033203 [1,1,0,0,0,0|2,0,0]=4 6352 B14R0.393 C=CC[C@@H](N)COCCCCCCCO 34a_100020615467_100000760002 [1,1,0,0,0,0|2,0,0]=4 6353 B14R0.393 CC(CCO)NCCCCCCCCO 2230a_102515433106_100009893172 [1,1,0,0,0,0|1,0,1]=4 6354 B14R0.393 CC(CCO)NCCCCCCCCO 34a_102515433106_100009893172 [1,1,0,0,0,0|1,0,1]=4 6355 B14R0.393 CC(CCO)SCCCCCCCCO 62a_100000033203_100009893172 [1,1,0,0,0,0|1,0,1]=4 6356 B14R0.393 CC(CCO)SCCCCCCCCO 62a_100009893172_100000033203 [1,1,0,0,0,0|1,0,1]=4 6357 B14R0.393 CCCC(C)CCCOCCCCC=O 7a_100011713154_100000139335 [1,1,0,0,0,0|2,0,0]=4 6358 B14R0.393 CCCC(C)CCOCCCCCC=O 7a_100011217855_100000139337 [1,1,0,0,0,0|2,0,0]=4 6359 B14R0.393 CCCCCCCCCCN(C)CC=O 2230a_100000207566_200015260668 [1,1,0,0,0,0|2,0,0]=4 6360 B14R0.393 CCCCCCCCCCN(C)CC=O 269982a_100000207566_200015260668 [1,1,0,0,0,0|2,0,0]=4 6361 B14R0.393 CN(CCO)CCCCCCCCCO 2230a_100000210263_100009813782 [1,1,0,0,0,0|1,0,1]=4 6362 B14R0.393 CN(CCO)CCCCCCCCCO 269982a_100000210263_100009813782 [1,1,0,0,0,0|1,0,1]=4 6363 B14R0.393 C[C@H](CCO)NCCCCCCCCO 2230a_100000706166_100000033203 [1,1,0,0,0,0|1,0,1]=4 6364 B14R0.393 C[C@H](CCO)NCCCCCCCCO 34a_100000706166_100000033203 [1,1,0,0,0,0|1,0,1]=4 6365 B14R0.393 O=C(CCO)CCCCCCCCCO 1458a_100011216618_100009813782 [1,1,0,0,0,0|0,0,2]=4 6366 B14R0.493 C=CCCC(=O)CCCCCCCCO 1458a_100000749702_100000033203 [1,1,0,0,0,0|1,0,1]=4 6367 B14R0.493 C=CCCC(C)NCCCCCCCO 270004a_100011996573_100000762624 [1,1,0,0,0,0|2,0,0]=4 6368 B14R0.493 C=CCCC(C)OCCCCCCCO 34a_100000765329_100000760002 [1,1,0,0,0,0|2,0,0]=4 6369 B14R0.493 C=CCCC(C)OCCCCCCCO 7a_100000765329_100000760002 [1,1,0,0,0,0|2,0,0]=4 6370 B14R0.493 C=CCCCCCCCC(=O)CCCO 1458a_100011216160_100011215043 [1,1,0,0,0,0|1,0,1]=4 6371 B14R0.493 C=CCCCCCCCN(C)CCCO 2230a_100000213112_100012355270 [1,1,0,0,0,0|2,0,0]=4 6372 B14R0.493 C=CCCCCCCCN(C)CCCO 269982a_100000213112_100012355270 [1,1,0,0,0,0|2,0,0]=4 6373 B14R0.493 C=CCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000700193 [1,1,0,0,0,0|2,0,0]=4 6374 B14R0.493 C=CCCCCCNC[C@H](C)CCCO 34a_100160569302_100000700193 [1,1,0,0,0,0|2,0,0]=4 6375 B14R0.493 C=CCCN(C)CCCCCCCCO 2230a_100020639649_100000033203 [1,1,0,0,0,0|2,0,0]=4 6376 B14R0.493 C=CCCN(C)CCCCCCCCO 269982a_100020639649_100000033203 [1,1,0,0,0,0|2,0,0]=4 6377 B14R0.493 CCCCC(C)COCCCCCC=O 7a_100011995851_100000139337 [1,1,0,0,0,0|2,0,0]=4 6378 B14R0.493 CCCCCCCCCC(C)OCC=O 34a_100011218016_200009817547 [1,1,0,0,0,0|2,0,0]=4 6379 B14R0.493 CCCCCCCCCC(C)OCC=O 7a_100011218016_200015260668 [1,1,0,0,0,0|2,0,0]=4 6380 B14R0.493 CN(CCCO)CCCCCCCCO 2230a_100000213112_100000033203 [1,1,0,0,0,0|1,0,1]=4 6381 B14R0.493 CN(CCCO)CCCCCCCCO 269982a_100000213112_100000033203 [1,1,0,0,0,0|1,0,1]=4 6382 B14R0.493 C[C@H](CCCO)CNCCCCCC=O 2230a_100160569302_100000139337 [1,1,0,0,0,0|1,0,0]=3 6383 B14R0.493 C[C@H](CCCO)CNCCCCCCO 2230a_100160569302_100000766143 [1,1,0,0,0,0|1,0,1]=4 6384 B14R0.493 C[C@H](CCCO)CNCCCCCCO 34a_100160569302_100000766143 [1,1,0,0,0,0|1,0,1]=4 6385 B16R0.67 CC(C(=O)O)N(C)CCCCCCCCCO 269956a_100000749554_100009813782 [0,2,0,0,0,0|1,0,0]=3 6386 B16R0.67 CCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210320 [0,2,0,0,0,0|2,0,0]=4 6387 B16R0.67 C[C@@H](OCCCCCCCCO)[C@H](N)C(=O)N 34a_100000003557_100000033203 [0,2,0,0,0,0|2,0,0]=4 6388 B16R0.110 CCCCCCCC(C)NCC(O)CC(=O)O 269956a_100011218706_200011218727 [0,2,0,0,0,0|2,0,0]=4 6389 B16R0.302 C#CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100153394163 [0,2,0,0,0,0|1,0,1]=4 6390 B16R0.302 C=C(C)CN(C)CCCCCCCCCCO 2230a_100000225649_100009813290 [0,2,0,0,0,0|2,0,0]=4 6391 B16R0.302 C=C(C)CN(C)CCCCCCCCCCO 269982a_100000225649_100009813290 [0,2,0,0,0,0|2,0,0]=4 6392 B16R0.302 C=CCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100009814027 [0,2,0,0,0,0|1,0,1]=4 6393 B16R0.302 C=CCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100012355270 [0,2,0,0,0,0|1,0,1]=4 6394 B16R0.302 CC(=O)OC(C)SCCCCCCCCCO 62a_100009813782_100009818208 [0,2,0,0,0,0|2,0,0]=4 6395 B16R0.302 CC(=O)OC(C)SCCCCCCCCCO 62a_100009818208_100009813782 [0,2,0,0,0,0|2,0,0]=4 6396 B16R0.302 CC(O)CN(C)CCCCCCCCCCO 2230a_100000227577_100009813290 [0,2,0,0,0,0|1,0,1]=4 6397 B16R0.302 CC(O)CN(C)CCCCCCCCCCO 269982a_100000227577_100009813290 [0,2,0,0,0,0|1,0,1]=4 6398 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100000210736_100000187820 [0,2,0,0,0,0|2,0,0]=4 6399 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215454 [0,2,0,0,0,0|2,0,0]=4 6400 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210736_100020667443 [0,2,0,0,0,0|1,0,1]=4 6401 B16R0.302 CCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215454 [0,2,0,0,0,0|2,0,0]=4 6402 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [0,2,0,0,0,0|1,0,0]=3 6403 B16R0.302 CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210670 [0,2,0,0,0,0|1,0,0]=3 6404 B16R0.302 CN(CCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813290 [0,2,0,0,0,0|1,0,0]=3 6405 B16R0.302 CN(CCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813290 [0,2,0,0,0,0|0,0,0]=2 6406 B16R0.302 C[C@@H](O)CC(=O)CCCCCCCCCCO 1458a_100011933948_100009813290 [0,2,0,0,0,0|1,0,1]=4 6407 B16R0.302 NC(=O)CC(=O)CCCCCCCCCCO 1458a_100134613110_100009813290 [0,2,0,0,0,0|1,0,0]=3 6408 B16R0.302 NC(=O)CC(=O)NCCCCCCCCCO 240690a_100000078944_100134613110 [0,2,0,0,0,0|1,0,1]=4 6409 B16R0.302 O=C(O)CC(O)CNCCCCCCCCO 269956a_100011218706_100000033203 [0,2,0,0,0,0|0,0,0]=2 6410 B16R0.302 O=C(O)CC(O)CNCCOCCOCCO 269956a_100011218706_100000032323 [0,2,0,0,0,0|2,0,0]=4 6411 B16R0.657 CCCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210320 [0,2,0,0,0,0|2,0,0]=4 6412 B16R0.657 CCCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210670 [0,2,0,0,0,0|2,0,0]=4 6413 B16R0.657 CCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210670 [0,2,0,0,0,0|2,0,0]=4 6414 B16R0.657 CCN(CCCCCCCCCO)CC(=O)O 269956a_100000746405_100009813782 [0,2,0,0,0,0|1,0,0]=3 6415 B16R0.657 CC[C@H](CC(=O)O)NCCCCCCCCO 269956a_100016995926_100000033203 [0,2,0,0,0,0|1,0,0]=3 6416 B16R0.657 O=C(O)C[C@@H](CO)NCCCCCCCCO 269956a_100009816507_100000033203 [0,2,0,0,0,0|1,0,0]=3 6417 B16R0.657 O=C([O-])CN(CO)CCCCCCCCCO 269956a_100016989150_100009813782 [0,2,0,0,0,0|1,0,1]=4 6418 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)OC 1458a_100000210375_100000747449 [0,2,0,0,0,0|1,0,1]=4 6419 B16R0.1182 CCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210319 [0,2,0,0,0,0|1,0,1]=4 6420 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210320 [0,2,0,0,0,0|2,0,0]=4 6421 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 2230a_100000207566_100000747449 [0,2,0,0,0,0|2,0,0]=4 6422 B16R0.1182 CCCCCCCCCCN(C)CC(=O)OC 269982a_100000207566_100000747449 [0,2,0,0,0,0|2,0,0]=4 6423 B16R0.1182 CCCCCCCCCNC(C)CC(=O)OC 2230a_100000212291_100009817358 [0,2,0,0,0,0|2,0,0]=4 6424 B16R0.1182 CCCCCCCCCNC(C)CC(=O)OC 34a_100000212291_100009817358 [0,2,0,0,0,0|2,0,0]=4 6425 B16R0.1182 CCCCCCCCCOC(C)CC(=O)OC 34a_100000210712_100009817358 [0,2,0,0,0,0|2,0,0]=4 6426 B16R0.1182 CCCCCCCCCOC(C)CC(=O)OC 7a_100000210712_100009817358 [0,2,0,0,0,0|2,0,0]=4 6427 B16R0.1182 CCCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210670 [0,2,0,0,0,0|2,0,0]=4 6428 B16R0.1182 CCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000229939_100000754131 [0,2,0,0,0,0|2,0,0]=4 6429 B16R0.1182 CCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210232_100000754131 [0,2,0,0,0,0|2,0,0]=4 6430 B16R0.1182 CCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210232_100000754131 [0,2,0,0,0,0|2,0,0]=4 6431 B16R0.1182 CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000210759_100000754131 [0,2,0,0,0,0|2,0,0]=4 6432 B16R0.1182 CCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210317 [0,2,0,0,0,0|2,0,0]=4 6433 B16R0.1182 CNC(=O)CN(C)CCCCCCCCCO 2230a_100000189611_100009813782 [0,2,0,0,0,0|2,0,0]=4 6434 B16R0.1182 COC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000747449 [0,2,0,0,0,0|1,0,1]=4 6435 B16R0.1182 COC(=O)CC(=O)CCCCCCCCCO 1458a_100000211351_100009813782 [0,2,0,0,0,0|0,0,1]=3 6436 B16R0.1182 COC(=O)CC(=O)CSCCCCCCCO 62a_100000210525_100000760002 [0,2,0,0,0,0|1,0,1]=4 6437 B16R0.1182 COC(=O)CC(=O)CSCCCCCCCO 62a_100000760002_100000210525 [0,2,0,0,0,0|1,0,1]=4 6438 B16R0.1182 COC(=O)CC(=O)NCCCCCCCCO 240690a_102515433106_100000211351 [0,2,0,0,0,0|1,0,1]=4 6439 B16R0.1182 COC(=O)CC(C)NCCCCCCCCO 2230a_102515433106_100009817358 [0,2,0,0,0,0|1,0,0]=3 6440 B16R0.1182 COC(=O)CC(C)NCCCCCCCCO 34a_102515433106_100009817358 [0,2,0,0,0,0|1,0,0]=3 6441 B16R0.1182 COC(=O)CC(C)OCCCCCCCCBr 34a_100009813846_100009817358 [0,2,0,0,0,0|2,0,0]=4 6442 B16R0.1182 COC(=O)CC(C)OCCCCCCCCBr 7a_100009813846_100009817358 [0,2,0,0,0,0|2,0,0]=4 6443 B16R0.1182 COC(=O)CC(C)OCCCCCCCCCl 34a_100000033203_100009817358 [0,2,0,0,0,0|2,0,0]=4 6444 B16R0.1182 COC(=O)CC(C)OCCCCCCCCCl 7a_100000033203_100009817358 [0,2,0,0,0,0|2,0,0]=4 6445 B16R0.1182 COC(=O)CC(C)OCCCCCCCCN 34a_102515433106_100009817358 [0,2,0,0,0,0|2,0,0]=4 6446 B16R0.1182 COC(=O)CC(C)SCCCCCCCCO 62a_100000033203_100009817358 [0,2,0,0,0,0|1,0,0]=3 6447 B16R0.1182 COC(=O)CC(C)SCCCCCCCCO 62a_100009817358_100000033203 [0,2,0,0,0,0|1,0,0]=3 6448 B16R0.1182 COC(=O)CN(C)CCCCCCCCCO 2230a_100000198492_100009813782 [0,2,0,0,0,0|1,0,0]=3 6449 B16R0.1182 COC(=O)C[C@@H](O)CNCCCCCCCO 34a_100011996573_100000754131 [0,2,0,0,0,0|1,0,0]=3 6450 B16R0.1182 COC(=O)C[C@@H](O)CNCCCOCCCO 34a_100011310245_100000754131 [0,2,0,0,0,0|2,0,0]=4 6451 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCBr 34a_100000760002_100000754131 [0,2,0,0,0,0|2,0,0]=4 6452 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCBr 7a_100000760002_100000754131 [0,2,0,0,0,0|2,0,0]=4 6453 B16R0.1182 COC(=O)C[C@@H](O)COCCCCCCCN 34a_100011996573_100000754131 [0,2,0,0,0,0|2,0,0]=4 6454 B16R0.1182 COC(=O)C[C@@H](O)CSCCCCCCCO 62a_100000754131_100000760002 [0,2,0,0,0,0|1,0,0]=3 6455 B16R0.1182 COC(=O)C[C@@H](O)CSCCCCCCCO 62a_100000760002_100000754131 [0,2,0,0,0,0|1,0,0]=3 6456 B16R0.8617 CC(=O)CC(C)(C)OCCCCCCCCO 7a_100000210262_100000033203 [0,2,0,0,0,0|2,0,0]=4 6457 B16R0.8617 CC(C)(CC(=O)N)NCCCCCCCCO 2230a_100000763158_100000033203 [0,2,0,0,0,0|2,0,0]=4 6458 B16R0.8617 CC(C)(CC(=O)O)NCCCCCCCCO 269956a_100000755897_100000033203 [0,2,0,0,0,0|1,0,0]=3 6459 B16R0.8617 CCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210670 [0,2,0,0,0,0|2,0,0]=4 6460 B16R0.7 CCCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210211 [0,2,0,0,0,0|1,0,1]=4 6461 B16R0.7 CCCCC(=O)CCCCCCCC(=O)OC 1458a_100000210183_100010004213 [0,2,0,0,0,0|1,0,1]=4 6462 B16R0.7 CCCCC(C)CCCCOCCC(=O)OC 34a_200011021034_100000742370 [0,2,0,0,0,0|2,0,0]=4 6463 B16R0.7 CCCCC(C)CCCCOCCC(=O)OC 7a_200011021034_100000204255 [0,2,0,0,0,0|2,0,0]=4 6464 B16R0.7 CCCCC(C)COCCCCCC(=O)OC 34a_100011995851_100009816466 [0,2,0,0,0,0|2,0,0]=4 6465 B16R0.7 CCCCC(C)COCCCCCC(=O)OC 7a_100011995851_100009816466 [0,2,0,0,0,0|2,0,0]=4 6466 B16R0.7 CCCCC(C)NCCCCCCC(=O)OC 2230a_100000126638_100009815986 [0,2,0,0,0,0|2,0,0]=4 6467 B16R0.7 CCCCC(C)OCCCCCCC(=O)OC 34a_100000687866_100009815986 [0,2,0,0,0,0|2,0,0]=4 6468 B16R0.7 CCCCC(C)OCCCCCCC(=O)OC 34a_100009863599_200011215066 [0,2,0,0,0,0|2,0,0]=4 6469 B16R0.7 CCCCC(C)OCCCCCCC(=O)OC 7a_100000687866_100009815986 [0,2,0,0,0,0|2,0,0]=4 6470 B16R0.7 CCCCC(C)OCCCCCCC(=O)OC 7a_100009863599_200011215066 [0,2,0,0,0,0|2,0,0]=4 6471 B16R0.7 CCCCC(C)SCCCCCCC(=O)OC 62a_100009815986_200011215066 [0,2,0,0,0,0|2,0,0]=4 6472 B16R0.7 CCCCC(C)SCCCCCCC(=O)OC 62a_200011215066_100009815986 [0,2,0,0,0,0|2,0,0]=4 6473 B16R0.7 CCCCN(C)CCCCCCCC(=O)OC 2230a_100000207549_100010004213 [0,2,0,0,0,0|2,0,0]=4 6474 B16R0.7 CCCCN(C)CCCCCCCC(=O)OC 269982a_100000207549_100010004213 [0,2,0,0,0,0|2,0,0]=4 6475 B16R0.7 CCCC[C@H](N)COCCCCCC(=O)OC 34a_100011934283_100009816466 [0,2,0,0,0,0|2,0,0]=4 6476 B16R0.7 COC(=O)CCCCCCCC(=O)CCCF 1458a_100000033222_100011934791 [0,2,0,0,0,0|1,0,1]=4 6477 B16R0.7 COC(=O)CCCCCCCC(=O)CCCO 1458a_100000033222_100011215043 [0,2,0,0,0,0|0,0,1]=3 6478 B16R0.7 COC(=O)CCCCCCCC(=O)NCCO 240690a_100000210304_100000033222 [0,2,0,0,0,0|1,0,1]=4 6479 B16R0.7 COC(=O)CCCCCCCN(C)CCCO 2230a_100000213112_100010004213 [0,2,0,0,0,0|1,0,0]=3 6480 B16R0.7 COC(=O)CCCCCCCN(C)CCCO 269982a_100000213112_100010004213 [0,2,0,0,0,0|1,0,0]=3 6481 B16R0.7 COC(=O)CCCCCCOC(C)CCCCl 34a_200000718107_100009815986 [0,2,0,0,0,0|2,0,0]=4 6482 B16R0.7 COC(=O)CCCCCCOC(C)CCCCl 7a_200000718107_100009815986 [0,2,0,0,0,0|2,0,0]=4 6483 B16R0.7 COC(=O)CCCCCNC[C@H](C)CCCO 2230a_100160569302_100009816466 [0,2,0,0,0,0|1,0,0]=3 6484 B16R0.7 COC(=O)CCCCCNC[C@H](C)CCCO 34a_100160569302_100009816466 [0,2,0,0,0,0|1,0,0]=3 6485 B16R0.61 C#CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000184674 [0,2,0,0,0,0|2,0,0]=4 6486 B16R0.61 C#CCC(=O)CCCCCCCCCCCC 1458a_100011220946_100000759014 [0,2,0,0,0,0|2,0,0]=4 6487 B16R0.61 C#CCC(=O)CCCCCCCCCCCO 1458a_100011220946_100009812471 [0,2,0,0,0,0|1,0,0]=3 6488 B16R0.61 C=CCC(=O)CCCCCCCCCCCO 1458a_100000210193_100009812471 [0,2,0,0,0,0|1,0,0]=3 6489 B16R0.61 C=CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210193 [0,2,0,0,0,0|2,0,0]=4 6490 B16R0.61 C=CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011093070 [0,2,0,0,0,0|1,0,1]=4 6491 B16R0.61 C=CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011093070 [0,2,0,0,0,0|1,0,1]=4 6492 B16R0.61 C=COC(=O)CNCCCCCCCCCC 2230a_100000684558_100000036128 [0,2,0,0,0,0|2,0,0]=4 6493 B16R0.61 C=COC(=O)CNCCCCCCCCCC 34a_100000684558_100000036128 [0,2,0,0,0,0|2,0,0]=4 6494 B16R0.61 C=COC(=O)CNCCCCCCCCCO 2230a_100000078944_100000036128 [0,2,0,0,0,0|1,0,0]=3 6495 B16R0.61 C=COC(=O)CNCCCCCCCCCO 34a_100000078944_100000036128 [0,2,0,0,0,0|1,0,0]=3 6496 B16R0.61 C=COC(=O)COCCCCCCCCCBr 34a_100009813782_100000036128 [0,2,0,0,0,0|2,0,0]=4 6497 B16R0.61 C=COC(=O)COCCCCCCCCCC 34a_100000210711_100000036128 [0,2,0,0,0,0|2,0,0]=4 6498 B16R0.61 C=COC(=O)COCCCCCCCCCCl 34a_100009868337_100000036128 [0,2,0,0,0,0|2,0,0]=4 6499 B16R0.61 C=COC(=O)COCCCCCCCCCN 34a_100000078944_100000036128 [0,2,0,0,0,0|2,0,0]=4 6500 B16R0.61 C=COC(=O)CSCCCCCCCCCC 62a_100000036128_100000210320 [0,2,0,0,0,0|2,0,0]=4 6501 B16R0.61 C=COC(=O)CSCCCCCCCCCO 62a_100000036128_100009813782 [0,2,0,0,0,0|1,0,0]=3 6502 B16R0.61 C=COC(=O)CSCCCCCCCCCO 62a_100009813782_100000036128 [0,2,0,0,0,0|1,0,0]=3 6503 B16R0.61 CC#CC(=O)CCCCCCCCCCCC 1458a_100000763181_100000759014 [0,2,0,0,0,0|2,0,0]=4 6504 B16R0.61 CC#CC(=O)CCCCCCCCCCCO 1458a_100000763181_100009812471 [0,2,0,0,0,0|1,0,0]=3 6505 B16R0.61 CC=CC(=O)CCCCCCCCCCCO 1458a_100000210699_100009812471 [0,2,0,0,0,0|1,0,0]=3 6506 B16R0.61 CC=CC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210699 [0,2,0,0,0,0|2,0,0]=4 6507 B16R0.61 CCCC(=O)CCCCCCCCCCCO 1458a_100000211992_100009812471 [0,2,0,0,0,0|1,0,0]=3 6508 B16R0.61 CCCC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747444 [0,2,0,0,0,0|2,0,0]=4 6509 B16R0.61 CCCC(=O)CSCCCCCCCCCO 62a_100000747444_100009813782 [0,2,0,0,0,0|2,0,0]=4 6510 B16R0.61 CCCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747444 [0,2,0,0,0,0|2,0,0]=4 6511 B16R0.61 CCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000211992 [0,2,0,0,0,0|2,0,0]=4 6512 B16R0.61 CCCCCCCCCCCCC(=O)CC#N 1458a_100011215791_100011214920 [0,2,0,0,0,0|2,0,0]=4 6513 B16R0.61 CCCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000759014 [0,2,0,0,0,0|2,0,0]=4 6514 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011215791_100000211926 [0,2,0,0,0,0|1,0,0]=3 6515 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000759014 [0,2,0,0,0,0|1,0,0]=3 6516 B16R0.61 CCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000759014 [0,2,0,0,0,0|1,0,0]=3 6517 B16R0.61 CCCCCCCCCCCCC(=O)NCC 11a_100015525214_100011215791 [0,2,0,0,0,0|2,0,0]=4 6518 B16R0.61 CCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100011215791 [0,2,0,0,0,0|2,0,0]=4 6519 B16R0.61 CCCCCCCCCCCCC(=O)NNC 22a_100016993582_100011215791 [0,2,0,0,0,0|2,0,0]=4 6520 B16R0.61 CCCCCCCCCCCNC(=O)CCO 240690a_200011215754_100011216618 [0,2,0,0,0,0|2,0,0]=4 6521 B16R0.61 CCCCCCCCCCCNC(=O)COC 11a_200011215754_100000210968 [0,2,0,0,0,0|2,0,0]=4 6522 B16R0.61 CCCCCCCCCCCNC(=O)COC 1626a_200011215754_100000210968 [0,2,0,0,0,0|2,0,0]=4 6523 B16R0.61 CCCCCCCCCCCNC(=O)COC 240690a_200011215754_100000210968 [0,2,0,0,0,0|2,0,0]=4 6524 B16R0.61 CCCCCCCCCCCNC(=O)COC 527a_200011215754_100000210968 [0,2,0,0,0,0|2,0,0]=4 6525 B16R0.61 CCCCCCCCCCNCC(=O)NCO 2230a_100000684558_100000185155 [0,2,0,0,0,0|2,0,0]=4 6526 B16R0.61 CCCCCCCCCCNCC(=O)NCO 34a_100000684558_100000185155 [0,2,0,0,0,0|2,0,0]=4 6527 B16R0.61 CCCCCCCCCCNCC(=O)OCC 2230a_100000684558_100000188475 [0,2,0,0,0,0|2,0,0]=4 6528 B16R0.61 CCCCCCCCCCNCC(=O)OCC 34a_100000684558_100000188475 [0,2,0,0,0,0|2,0,0]=4 6529 B16R0.61 CCCCCCCCCCOCC(=O)NCO 34a_100000210711_100000185155 [0,2,0,0,0,0|2,0,0]=4 6530 B16R0.61 CCCCCCCCCCOCC(=O)NCO 7a_100000210711_100000185155 [0,2,0,0,0,0|2,0,0]=4 6531 B16R0.61 CCCCCCCCCCOCC(=O)OCC 34a_100000210711_100000188475 [0,2,0,0,0,0|2,0,0]=4 6532 B16R0.61 CCCCCCCCCCOCC(=O)OCC 7a_100000210711_100000188475 [0,2,0,0,0,0|2,0,0]=4 6533 B16R0.61 CCCCCCCCCCSCC(=O)NCO 62a_100000185155_100000210320 [0,2,0,0,0,0|2,0,0]=4 6534 B16R0.61 CCCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210320 [0,2,0,0,0,0|2,0,0]=4 6535 B16R0.61 CCCCCCCCCNCCC(=O)OCC 2230a_100000212291_100011206558 [0,2,0,0,0,0|2,0,0]=4 6536 B16R0.61 CCCCCCCCCNCCC(=O)OCC 34a_100000212291_100000765890 [0,2,0,0,0,0|2,0,0]=4 6537 B16R0.61 CCCCCCCCCOCCC(=O)OCC 34a_100000210712_100000765890 [0,2,0,0,0,0|2,0,0]=4 6538 B16R0.61 CCCCCCCCCOCCC(=O)OCC 7a_100000210712_100011206558 [0,2,0,0,0,0|2,0,0]=4 6539 B16R0.61 CCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210670 [0,2,0,0,0,0|2,0,0]=4 6540 B16R0.61 CCCCCCCCNCCCC(=O)OCC 2230a_100000229939_100009991533 [0,2,0,0,0,0|2,0,0]=4 6541 B16R0.61 CCCCCCCCNCCCC(=O)OCC 34a_100000229939_100009991533 [0,2,0,0,0,0|2,0,0]=4 6542 B16R0.61 CCCCCCCCOCCCC(=O)OCC 34a_100000210232_100009991533 [0,2,0,0,0,0|2,0,0]=4 6543 B16R0.61 CCCCCCCCOCCCC(=O)OCC 7a_100000210232_100011215271 [0,2,0,0,0,0|2,0,0]=4 6544 B16R0.61 CCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210759 [0,2,0,0,0,0|2,0,0]=4 6545 B16R0.61 CCCCCCCCSCCCC(=O)OCC 62a_100000210759_100009991533 [0,2,0,0,0,0|2,0,0]=4 6546 B16R0.61 CCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210317 [0,2,0,0,0,0|2,0,0]=4 6547 B16R0.61 CCCCCCCNCCCCC(=O)OCC 2230a_100000229938_100000750268 [0,2,0,0,0,0|2,0,0]=4 6548 B16R0.61 CCCCCCCOCCCCC(=O)OCC 34a_100000210272_100000750268 [0,2,0,0,0,0|2,0,0]=4 6549 B16R0.61 CCCCCCCOCCCCC(=O)OCC 7a_100000210272_100000750268 [0,2,0,0,0,0|2,0,0]=4 6550 B16R0.61 CCCCCCCSCCCCC(=O)OCC 62a_100000210614_100000750268 [0,2,0,0,0,0|2,0,0]=4 6551 B16R0.61 CCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210316 [0,2,0,0,0,0|2,0,0]=4 6552 B16R0.61 CCCCCCNCCCCCC(=O)OCC 2230a_100000210581_100000755133 [0,2,0,0,0,0|2,0,0]=4 6553 B16R0.61 CCCCCCOCCCCCC(=O)OCC 34a_100000210259_100000755133 [0,2,0,0,0,0|2,0,0]=4 6554 B16R0.61 CCCCCCOCCCCCC(=O)OCC 7a_100000210259_100000755133 [0,2,0,0,0,0|2,0,0]=4 6555 B16R0.61 CCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210314 [0,2,0,0,0,0|2,0,0]=4 6556 B16R0.61 CCCCCCSCCCCCC(=O)OCC 62a_100000210314_100000755133 [0,2,0,0,0,0|2,0,0]=4 6557 B16R0.61 CCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210757 [0,2,0,0,0,0|2,0,0]=4 6558 B16R0.61 CCCCCNCCCCCCC(=O)OCC 2230a_100000209983_100009814379 [0,2,0,0,0,0|2,0,0]=4 6559 B16R0.61 CCCCCOCCCCCCC(=O)OCC 34a_100000210253_100009814379 [0,2,0,0,0,0|2,0,0]=4 6560 B16R0.61 CCCCCOCCCCCCC(=O)OCC 7a_100000210253_100009814379 [0,2,0,0,0,0|2,0,0]=4 6561 B16R0.61 CCCCCSCCCCCCC(=O)OCC 62a_100000210326_100009814379 [0,2,0,0,0,0|2,0,0]=4 6562 B16R0.61 CCCCNCCCCCCCC(=O)OCC 2230a_100000102301_100009991516 [0,2,0,0,0,0|2,0,0]=4 6563 B16R0.61 CCCCNCCCCCCCC(=O)OCC 7a_106832991798_100009991516 [0,2,0,0,0,0|2,0,0]=4 6564 B16R0.61 CCCCOCCCCCCCC(=O)OCC 34a_100000210227_100009991516 [0,2,0,0,0,0|2,0,0]=4 6565 B16R0.61 CCCCOCCCCCCCC(=O)OCC 7a_100000210227_100009991516 [0,2,0,0,0,0|2,0,0]=4 6566 B16R0.61 CCCCSCCCCCCCC(=O)OCC 62a_100000210211_100009991516 [0,2,0,0,0,0|2,0,0]=4 6567 B16R0.61 CCCOCCCCCCCCC(=O)OCC 34a_100000210258_100010175975 [0,2,0,0,0,0|2,0,0]=4 6568 B16R0.61 CCCSCCCCCCCCC(=O)OCC 62a_100000210303_100010175975 [0,2,0,0,0,0|2,0,0]=4 6569 B16R0.61 CCNC(=O)CCCCCCCCCCCO 240690a_100015525214_100000037981 [0,2,0,0,0,0|1,0,0]=3 6570 B16R0.61 CCNC(=O)CCNCCCCCCCCO 2230a_102515433106_100000737597 [0,2,0,0,0,0|2,0,0]=4 6571 B16R0.61 CCNC(=O)CCNCCCCCCCCO 34a_100025743525_100000033203 [0,2,0,0,0,0|2,0,0]=4 6572 B16R0.61 CCNC(=O)CCSCCCCCCCCO 62a_100000033203_100000737597 [0,2,0,0,0,0|2,0,0]=4 6573 B16R0.61 CCNC(=O)CCSCCCCCCCCO 62a_100000737597_100000033203 [0,2,0,0,0,0|2,0,0]=4 6574 B16R0.61 CCNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183381 [0,2,0,0,0,0|2,0,0]=4 6575 B16R0.61 CCNC(=O)CNCCCCCCCCCO 2230a_100016988866_100009813782 [0,2,0,0,0,0|2,0,0]=4 6576 B16R0.61 CCNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183381 [0,2,0,0,0,0|2,0,0]=4 6577 B16R0.61 CCNC(=O)CSCCCCCCCCCO 62a_100000183381_100009813782 [0,2,0,0,0,0|2,0,0]=4 6578 B16R0.61 CCNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183381 [0,2,0,0,0,0|2,0,0]=4 6579 B16R0.61 CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100015525214 [0,2,0,0,0,0|2,0,0]=4 6580 B16R0.61 CCNC(=O)NCCCCCCCCCCO 2708a_100015525214_100000066964 [0,2,0,0,0,0|2,0,0]=4 6581 B16R0.61 CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100015525214 [0,2,0,0,0,0|2,0,0]=4 6582 B16R0.61 CCNC(=O)NCCCCCCCCCCO 273464a_100015525214_100000066964 [0,2,0,0,0,0|2,0,0]=4 6583 B16R0.61 CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100015525214 [0,2,0,0,0,0|2,0,0]=4 6584 B16R0.61 CCNC(=O)NCCCCCCCCCCO 512a_100015525214_100000066964 [0,2,0,0,0,0|2,0,0]=4 6585 B16R0.61 CCNCCCCCCCCCC(=O)OCC 2230a_100015525214_100009828014 [0,2,0,0,0,0|2,0,0]=4 6586 B16R0.61 CCOC(=O)CCCCCCCCCCNC 2230a_106832991635_100009827693 [0,2,0,0,0,0|2,0,0]=4 6587 B16R0.61 CCOC(=O)CCCCCCCCCCNC 34a_100102657272_100009827693 [0,2,0,0,0,0|2,0,0]=4 6588 B16R0.61 CCOC(=O)CCCCCCCCCCNC 7a_106832991635_100009827693 [0,2,0,0,0,0|2,0,0]=4 6589 B16R0.61 CCOC(=O)CCCCCCCCCCOC 34a_100138415774_100009827693 [0,2,0,0,0,0|2,0,0]=4 6590 B16R0.61 CCOC(=O)CCCCCCCCCCSC 62a_200000210301_100009827693 [0,2,0,0,0,0|2,0,0]=4 6591 B16R0.61 CCOC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009827693 [0,2,0,0,0,0|2,0,0]=4 6592 B16R0.61 CCOC(=O)CCCCCCCCCSCC 62a_100000210202_100009828014 [0,2,0,0,0,0|2,0,0]=4 6593 B16R0.61 CCOC(=O)CCCCCCCCCSCF 62a_100015361967_100009828014 [0,2,0,0,0,0|2,0,0]=4 6594 B16R0.61 CCOC(=O)CCCCCCCCNCCF 34a_100000724931_100010175975 [0,2,0,0,0,0|2,0,0]=4 6595 B16R0.61 CCOC(=O)CCCCCCCCNCCO 2230a_100016997473_100010175975 [0,2,0,0,0,0|1,0,0]=3 6596 B16R0.61 CCOC(=O)CCCCCCCCNCCO 34a_100016990907_100010175975 [0,2,0,0,0,0|1,0,0]=3 6597 B16R0.61 CCOC(=O)CCCCCCCCOCCBr 34a_100000211926_100010175975 [0,2,0,0,0,0|2,0,0]=4 6598 B16R0.61 CCOC(=O)CCCCCCCCOCCN 34a_100000210304_100010175975 [0,2,0,0,0,0|2,0,0]=4 6599 B16R0.61 CCOC(=O)CCCCCCCCSCCF 62a_100011217306_100010175975 [0,2,0,0,0,0|2,0,0]=4 6600 B16R0.61 CCOC(=O)CCCCCCCCSCCO 62a_100000211926_100010175975 [0,2,0,0,0,0|1,0,0]=3 6601 B16R0.61 CCOC(=O)CCCCCCCNCCCF 2230a_100015189416_100009991516 [0,2,0,0,0,0|2,0,0]=4 6602 B16R0.61 CCOC(=O)CCCCCCCNCCCF 34a_100015189416_100009991516 [0,2,0,0,0,0|2,0,0]=4 6603 B16R0.61 CCOC(=O)CCCCCCCOCCCBr 34a_100011217188_100009991516 [0,2,0,0,0,0|2,0,0]=4 6604 B16R0.61 CCOC(=O)CCCCCCCOCCCCl 34a_100000230001_100009991516 [0,2,0,0,0,0|2,0,0]=4 6605 B16R0.61 CCOC(=O)CCCCCCCOCCCF 34a_100000759539_100009991516 [0,2,0,0,0,0|2,0,0]=4 6606 B16R0.61 CCOC(=O)CCCCCCCOCCCN 34a_100000182051_100009991516 [0,2,0,0,0,0|2,0,0]=4 6607 B16R0.61 CCOC(=O)CCCCCCCSCCCF 62a_100011934791_100009991516 [0,2,0,0,0,0|2,0,0]=4 6608 B16R0.61 CCOC(=O)CCCCCCCSCCCO 62a_100011215043_100009991516 [0,2,0,0,0,0|1,0,0]=3 6609 B16R0.61 CCOC(=O)CCCCCCNCCCCO 2230a_100000750430_100009814379 [0,2,0,0,0,0|1,0,0]=3 6610 B16R0.61 CCOC(=O)CCCCCCNCCCCO 34a_100000750430_100009814379 [0,2,0,0,0,0|1,0,0]=3 6611 B16R0.61 CCOC(=O)CCCCCCOCCCCBr 34a_100011216708_100009814379 [0,2,0,0,0,0|2,0,0]=4 6612 B16R0.61 CCOC(=O)CCCCCCOCCCCCl 34a_100000210776_100009814379 [0,2,0,0,0,0|2,0,0]=4 6613 B16R0.61 CCOC(=O)CCCCCCOCCCCCl 7a_100000210776_100009814379 [0,2,0,0,0,0|2,0,0]=4 6614 B16R0.61 CCOC(=O)CCCCCCOCCCCF 34a_100011995726_100009814379 [0,2,0,0,0,0|2,0,0]=4 6615 B16R0.61 CCOC(=O)CCCCCCOCCCCF 7a_100011995726_100009814379 [0,2,0,0,0,0|2,0,0]=4 6616 B16R0.61 CCOC(=O)CCCCCCOCCCCI 34a_200012148704_100009814379 [0,2,0,0,0,0|2,0,0]=4 6617 B16R0.61 CCOC(=O)CCCCCCOCCCCN 34a_100000750430_100009814379 [0,2,0,0,0,0|2,0,0]=4 6618 B16R0.61 CCOC(=O)CCCCCCSCCCCF 62a_100000729493_100009814379 [0,2,0,0,0,0|2,0,0]=4 6619 B16R0.61 CCOC(=O)CCCCCCSCCCCO 62a_100000210776_100009814379 [0,2,0,0,0,0|1,0,0]=3 6620 B16R0.61 CCOC(=O)CCCCCNCCCCCO 2230a_100000762737_100000755133 [0,2,0,0,0,0|1,0,0]=3 6621 B16R0.61 CCOC(=O)CCCCCNCCCCCO 34a_100000762737_100000755133 [0,2,0,0,0,0|1,0,0]=3 6622 B16R0.61 CCOC(=O)CCCCCNCCOCCO 2230a_100000211614_100000755133 [0,2,0,0,0,0|2,0,0]=4 6623 B16R0.61 CCOC(=O)CCCCCNCCOCCO 34a_100000211614_100000755133 [0,2,0,0,0,0|2,0,0]=4 6624 B16R0.61 CCOC(=O)CCCCCNCCSCCO 2230a_100011219999_100000755133 [0,2,0,0,0,0|2,0,0]=4 6625 B16R0.61 CCOC(=O)CCCCCOCCCCCBr 34a_100000746331_100000755133 [0,2,0,0,0,0|2,0,0]=4 6626 B16R0.61 CCOC(=O)CCCCCOCCCCCBr 7a_100000746331_100000755133 [0,2,0,0,0,0|2,0,0]=4 6627 B16R0.61 CCOC(=O)CCCCCOCCCCCCl 34a_100000746330_100000755133 [0,2,0,0,0,0|2,0,0]=4 6628 B16R0.61 CCOC(=O)CCCCCOCCCCCCl 7a_100000746330_100000755133 [0,2,0,0,0,0|2,0,0]=4 6629 B16R0.61 CCOC(=O)CCCCCOCCCCCF 7a_100011214988_100000729378 [0,2,0,0,0,0|2,0,0]=4 6630 B16R0.61 CCOC(=O)CCCCCOCCCCCI 34a_200012148887_100000755133 [0,2,0,0,0,0|2,0,0]=4 6631 B16R0.61 CCOC(=O)CCCCCOCCCCCI 7a_200012148887_100000755133 [0,2,0,0,0,0|2,0,0]=4 6632 B16R0.61 CCOC(=O)CCCCCOCCCCCN 34a_100000762737_100000755133 [0,2,0,0,0,0|2,0,0]=4 6633 B16R0.61 CCOC(=O)CCCCCOCCCCCO 7a_100011214988_100000746330 [0,2,0,0,0,0|1,0,0]=3 6634 B16R0.61 CCOC(=O)CCCCCOCCOCCO 7a_100011214988_100011215305 [0,2,0,0,0,0|2,0,0]=4 6635 B16R0.61 CCOC(=O)CCCCCSCCCCCF 62a_100000729378_100000755133 [0,2,0,0,0,0|2,0,0]=4 6636 B16R0.61 CCOC(=O)CCCCCSCCCCCF 62a_100000755133_100000729378 [0,2,0,0,0,0|2,0,0]=4 6637 B16R0.61 CCOC(=O)CCCCCSCCCCCO 62a_100000746330_100000755133 [0,2,0,0,0,0|1,0,0]=3 6638 B16R0.61 CCOC(=O)CCCCCSCCCCCO 62a_100000755133_100000746330 [0,2,0,0,0,0|1,0,0]=3 6639 B16R0.61 CCOC(=O)CCCCCSCCOCCO 62a_100000755133_100011215305 [0,2,0,0,0,0|2,0,0]=4 6640 B16R0.61 CCOC(=O)CCCCCSCCOCCO 62a_100011215305_100000755133 [0,2,0,0,0,0|2,0,0]=4 6641 B16R0.61 CCOC(=O)CCCCNCCCCCCO 2230a_100000686447_100000750268 [0,2,0,0,0,0|1,0,0]=3 6642 B16R0.61 CCOC(=O)CCCCNCCCCCCO 34a_100000686447_100000750268 [0,2,0,0,0,0|1,0,0]=3 6643 B16R0.61 CCOC(=O)CCCCOCCCCCCBr 34a_100011215345_100000750268 [0,2,0,0,0,0|2,0,0]=4 6644 B16R0.61 CCOC(=O)CCCCOCCCCCCBr 7a_100011215345_100000750268 [0,2,0,0,0,0|2,0,0]=4 6645 B16R0.61 CCOC(=O)CCCCOCCCCCCCl 34a_100000766143_100000750268 [0,2,0,0,0,0|2,0,0]=4 6646 B16R0.61 CCOC(=O)CCCCOCCCCCCCl 7a_100000766143_100000750268 [0,2,0,0,0,0|2,0,0]=4 6647 B16R0.61 CCOC(=O)CCCCOCCCCCCF 34a_100000732779_100000750268 [0,2,0,0,0,0|2,0,0]=4 6648 B16R0.61 CCOC(=O)CCCCOCCCCCCF 7a_100000732779_100000750268 [0,2,0,0,0,0|2,0,0]=4 6649 B16R0.61 CCOC(=O)CCCCOCCCCCCN 34a_100000686447_100000750268 [0,2,0,0,0,0|2,0,0]=4 6650 B16R0.61 CCOC(=O)CCCCSCCCCCCF 62a_100000750268_100015922095 [0,2,0,0,0,0|2,0,0]=4 6651 B16R0.61 CCOC(=O)CCCCSCCCCCCF 62a_100015922095_100000750268 [0,2,0,0,0,0|2,0,0]=4 6652 B16R0.61 CCOC(=O)CCCCSCCCCCCO 62a_100000750268_100000766143 [0,2,0,0,0,0|1,0,0]=3 6653 B16R0.61 CCOC(=O)CCCCSCCCCCCO 62a_100000766143_100000750268 [0,2,0,0,0,0|1,0,0]=3 6654 B16R0.61 CCOC(=O)CCCNCCCCCCCO 2230a_100011996573_100009991533 [0,2,0,0,0,0|1,0,0]=3 6655 B16R0.61 CCOC(=O)CCCNCCCCCCCO 34a_100011996573_100009991533 [0,2,0,0,0,0|1,0,0]=3 6656 B16R0.61 CCOC(=O)CCCNCCCOCCCO 2230a_100011310245_100009991533 [0,2,0,0,0,0|2,0,0]=4 6657 B16R0.61 CCOC(=O)CCCNCCCOCCCO 34a_100011310245_100009991533 [0,2,0,0,0,0|2,0,0]=4 6658 B16R0.61 CCOC(=O)CCCOCCCCCCCBr 34a_100000760002_100009991533 [0,2,0,0,0,0|2,0,0]=4 6659 B16R0.61 CCOC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215271 [0,2,0,0,0,0|2,0,0]=4 6660 B16R0.61 CCOC(=O)CCCOCCCCCCCN 34a_100011996573_100009991533 [0,2,0,0,0,0|2,0,0]=4 6661 B16R0.61 CCOC(=O)CCCOCCCCCCCO 7a_100012001163_100000760002 [0,2,0,0,0,0|1,0,0]=3 6662 B16R0.61 CCOC(=O)CCCSCCCCCCCO 62a_100000760002_100009991533 [0,2,0,0,0,0|1,0,0]=3 6663 B16R0.61 CCOC(=O)CCCSCCCCCCCO 62a_100009991533_100000760002 [0,2,0,0,0,0|1,0,0]=3 6664 B16R0.61 CCOC(=O)CCNCCCCCCCCO 2230a_102515433106_100011206558 [0,2,0,0,0,0|1,0,0]=3 6665 B16R0.61 CCOC(=O)CCNCCCCCCCCO 34a_102515433106_100000765890 [0,2,0,0,0,0|1,0,0]=3 6666 B16R0.61 CCOC(=O)CCOCCCCCCCCBr 34a_100009813846_100000765890 [0,2,0,0,0,0|2,0,0]=4 6667 B16R0.61 CCOC(=O)CCOCCCCCCCCBr 7a_100009813846_100011206558 [0,2,0,0,0,0|2,0,0]=4 6668 B16R0.61 CCOC(=O)CCOCCCCCCCCCl 34a_100000033203_100000765890 [0,2,0,0,0,0|2,0,0]=4 6669 B16R0.61 CCOC(=O)CCOCCCCCCCCCl 7a_100000033203_100011206558 [0,2,0,0,0,0|2,0,0]=4 6670 B16R0.61 CCOC(=O)CCOCCCCCCCCN 34a_102515433106_100000765890 [0,2,0,0,0,0|2,0,0]=4 6671 B16R0.61 CCOC(=O)CCSCCCCCCCCO 62a_100000033203_100000765890 [0,2,0,0,0,0|1,0,0]=3 6672 B16R0.61 CCOC(=O)CCSCCCCCCCCO 62a_100000765890_100000033203 [0,2,0,0,0,0|1,0,0]=3 6673 B16R0.61 CCOC(=O)CNCCCCCCCCCO 2230a_100000078944_100000188475 [0,2,0,0,0,0|1,0,0]=3 6674 B16R0.61 CCOC(=O)CNCCCCCCCCCO 34a_100000078944_100000188475 [0,2,0,0,0,0|1,0,0]=3 6675 B16R0.61 CCOC(=O)COCCCCCCCCCBr 34a_100009813782_100000188475 [0,2,0,0,0,0|2,0,0]=4 6676 B16R0.61 CCOC(=O)COCCCCCCCCCBr 7a_100009813782_100000188475 [0,2,0,0,0,0|2,0,0]=4 6677 B16R0.61 CCOC(=O)COCCCCCCCCCCl 34a_100009868337_100000188475 [0,2,0,0,0,0|2,0,0]=4 6678 B16R0.61 CCOC(=O)COCCCCCCCCCCl 7a_100009868337_100000188475 [0,2,0,0,0,0|2,0,0]=4 6679 B16R0.61 CCOC(=O)COCCCCCCCCCN 34a_100000078944_100000188475 [0,2,0,0,0,0|2,0,0]=4 6680 B16R0.61 CCOC(=O)COCCCNCCCCCO 2230a_100000762737_100009893628 [0,2,0,0,0,0|2,0,0]=4 6681 B16R0.61 CCOC(=O)COCCCNCCCCCO 34a_100000762737_100009893628 [0,2,0,0,0,0|2,0,0]=4 6682 B16R0.61 CCOC(=O)COCCCSCCCCCO 62a_100000746330_100009893628 [0,2,0,0,0,0|2,0,0]=4 6683 B16R0.61 CCOC(=O)COCCCSCCCCCO 62a_100009893628_100000746330 [0,2,0,0,0,0|2,0,0]=4 6684 B16R0.61 CCOC(=O)COCCNCCCCCCO 2230a_100000686447_100000088970 [0,2,0,0,0,0|2,0,0]=4 6685 B16R0.61 CCOC(=O)COCCNCCCCCCO 34a_100000686447_100000088970 [0,2,0,0,0,0|2,0,0]=4 6686 B16R0.61 CCOC(=O)COCCSCCCCCCO 62a_100000088970_100000766143 [0,2,0,0,0,0|2,0,0]=4 6687 B16R0.61 CCOC(=O)COCCSCCCCCCO 62a_100000766143_100000088970 [0,2,0,0,0,0|2,0,0]=4 6688 B16R0.61 CCOC(=O)CSCCCCCCCCCO 62a_100000188475_100009813782 [0,2,0,0,0,0|1,0,0]=3 6689 B16R0.61 CCOC(=O)CSCCCCCCCCCO 62a_100009813782_100000188475 [0,2,0,0,0,0|1,0,0]=3 6690 B16R0.61 CCOC(=O)CSCCOCCCCCCO 7a_200000230590_100000766143 [0,2,0,0,0,0|2,0,0]=4 6691 B16R0.61 CCOC(=O)NCCOCCCCCCCO 34a_100000158857_100000760002 [0,2,0,0,0,0|2,0,0]=4 6692 B16R0.61 CCOC(=O)NCCSCCCCCCCO 62a_100000760002_200011445536 [0,2,0,0,0,0|2,0,0]=4 6693 B16R0.61 CCOC(=O)OCSCCCCCCCCO 62a_100000033203_100000075025 [0,2,0,0,0,0|2,0,0]=4 6694 B16R0.61 CCOCCCCCCCCCC(=O)OCC 34a_100121572206_100009828014 [0,2,0,0,0,0|2,0,0]=4 6695 B16R0.61 CN(CCO)CCCCCCCCCCCO 2230a_100000210263_100009812471 [0,2,0,0,0,0|2,0,0]=4 6696 B16R0.61 CN(CCO)CCCCCCCCCCCO 269982a_100000210263_100009812471 [0,2,0,0,0,0|2,0,0]=4 6697 B16R0.61 CNNC(=O)CCCCCCCCCCCO 22a_100016993582_100000037981 [0,2,0,0,0,0|1,0,0]=3 6698 B16R0.61 CNNC(=O)NCCCCCCCCCCO 273464a_100000066964_100016993582 [0,2,0,0,0,0|2,0,0]=4 6699 B16R0.61 CNNC(=O)NCCCCCCCCCCO 512a_100000066964_100016993582 [0,2,0,0,0,0|2,0,0]=4 6700 B16R0.61 CNNC(=O)NCCCCCCCCCCO 512a_100016993582_100000066964 [0,2,0,0,0,0|2,0,0]=4 6701 B16R0.61 COCC(=O)CCCCCCCCCCCO 1458a_100000210968_100009812471 [0,2,0,0,0,0|0,0,0]=2 6702 B16R0.61 COCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210968 [0,2,0,0,0,0|1,0,0]=3 6703 B16R0.61 CSCC(=O)CCCCCCCCCCCO 1458a_100000184570_100009812471 [0,2,0,0,0,0|0,1,0]=3 6704 B16R0.61 CSCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000184570 [0,2,0,0,0,0|1,1,0]=4 6705 B16R0.61 N#CCC(=O)CCCCCCCCCCCO 1458a_100051588842_100009812471 [0,2,0,0,0,0|1,0,0]=3 6706 B16R0.61 N#CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100051588842 [0,2,0,0,0,0|2,0,0]=4 6707 B16R0.61 NCCCCCCCCCOCC(=O)NCO 34a_100000078944_100000185155 [0,2,0,0,0,0|2,0,0]=4 6708 B16R0.61 O=C(C=CBr)CCCCCCCCCCCO 1458a_100016273825_100009812471 [0,2,0,0,0,0|1,0,0]=3 6709 B16R0.61 O=C(C=CBr)NCCCCCCCCCCO 240690a_100000066964_100016273825 [0,2,0,0,0,0|2,0,0]=4 6710 B16R0.61 O=C(C=CCl)CCCCCCCCCCCO 1458a_200016279998_100009812471 [0,2,0,0,0,0|1,0,0]=3 6711 B16R0.61 O=C(C=CCl)NCCCCCCCCCCO 240690a_100000066964_200016279998 [0,2,0,0,0,0|2,0,0]=4 6712 B16R0.61 O=C(C=CI)CCCCCCCCCCCO 1458a_100016256311_100009812471 [0,2,0,0,0,0|1,0,0]=3 6713 B16R0.61 O=C(CCO)CCCCCCCCCCCO 1458a_100011216618_100009812471 [0,2,0,0,0,0|0,0,0]=2 6714 B16R0.61 O=C(CCO)NCCCCCCCCCCO 240690a_100000066964_100011216618 [0,2,0,0,0,0|1,0,0]=3 6715 B16R0.61 O=C(CNCCCCCCCCCO)NCO 2230a_100000078944_100000185155 [0,2,0,0,0,0|1,0,0]=3 6716 B16R0.61 O=C(CNCCCCCCCCCO)NCO 34a_100000078944_100000185155 [0,2,0,0,0,0|1,0,0]=3 6717 B16R0.61 O=C(COCCCCCCCCCBr)NCO 34a_100009813782_100000185155 [0,2,0,0,0,0|2,0,0]=4 6718 B16R0.61 O=C(COCCCCCCCCCBr)NCO 7a_100009813782_100000185155 [0,2,0,0,0,0|2,0,0]=4 6719 B16R0.61 O=C(COCCCCCCCCCCl)NCO 34a_100009868337_100000185155 [0,2,0,0,0,0|2,0,0]=4 6720 B16R0.61 O=C(COCCCCCCCCCCl)NCO 7a_100009868337_100000185155 [0,2,0,0,0,0|2,0,0]=4 6721 B16R0.61 O=C(CSCCCCCCCCCO)NCO 62a_100000185155_100009813782 [0,2,0,0,0,0|1,0,0]=3 6722 B16R0.61 O=C(CSCCCCCCCCCO)NCO 62a_100009813782_100000185155 [0,2,0,0,0,0|1,0,0]=3 6723 B16R0.70 C=C(CNCCCCCCCCO)C(=O)OC 34a_102515433106_100009813391 [0,2,0,0,0,0|1,0,1]=4 6724 B16R0.70 C=C(CSCCCCCCCCO)C(=O)OC 62a_100000033203_100009813391 [0,2,0,0,0,0|1,0,1]=4 6725 B16R0.70 C=C(CSCCCCCCCCO)C(=O)OC 62a_100009813391_100000033203 [0,2,0,0,0,0|1,0,1]=4 6726 B16R0.70 CC(OCCCCCCCCCO)C(=O)NN 34a_100000725659_100009813782 [0,2,0,0,0,0|2,0,0]=4 6727 B16R0.70 CCC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100000742827 [0,2,0,0,0,0|2,0,0]=4 6728 B16R0.70 CCC(=O)C(C)SCCCCCCCCCO 62a_100000742827_100009813782 [0,2,0,0,0,0|2,0,0]=4 6729 B16R0.70 CCC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100000742827 [0,2,0,0,0,0|2,0,0]=4 6730 B16R0.70 CCCCCCCCCCNC(C)C(=O)OC 2230a_100000684558_100000211248 [0,2,0,0,0,0|2,0,0]=4 6731 B16R0.70 CCCCCCCCCCNC(C)C(=O)OC 34a_100000684558_100000211248 [0,2,0,0,0,0|2,0,0]=4 6732 B16R0.70 CCCCCCCCCCOC(C)C(=O)OC 34a_100000210711_100000211248 [0,2,0,0,0,0|2,0,0]=4 6733 B16R0.70 CCCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100000210320 [0,2,0,0,0,0|2,0,0]=4 6734 B16R0.70 CCCCCCCCCCOC(C)C(=O)OC 7a_100000210711_100000211248 [0,2,0,0,0,0|2,0,0]=4 6735 B16R0.70 CCCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210320 [0,2,0,0,0,0|2,0,0]=4 6736 B16R0.70 CCCCCCCCCNCC(C)C(=O)OC 34a_100000212291_100000698445 [0,2,0,0,0,0|2,0,0]=4 6737 B16R0.70 CCCCCCCCCOCC(C)C(=O)OC 34a_100000210712_100000698445 [0,2,0,0,0,0|2,0,0]=4 6738 B16R0.70 CCCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100011214924 [0,2,0,0,0,0|2,0,0]=4 6739 B16R0.70 CCCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210328 [0,2,0,0,0,0|2,0,0]=4 6740 B16R0.70 CCCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100011214924 [0,2,0,0,0,0|2,0,0]=4 6741 B16R0.70 CCCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011214924 [0,2,0,0,0,0|2,0,0]=4 6742 B16R0.70 CCCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210670 [0,2,0,0,0,0|2,0,0]=4 6743 B16R0.70 CCCCCCCCNCCC(C)C(=O)OC 2230a_100000229939_100000034942 [0,2,0,0,0,0|2,0,0]=4 6744 B16R0.70 CCCCCCCCNCCC(C)C(=O)OC 34a_100000229939_100000034942 [0,2,0,0,0,0|2,0,0]=4 6745 B16R0.70 CCCCCCCCOCCC(C)C(=O)OC 34a_100000210232_100000034942 [0,2,0,0,0,0|2,0,0]=4 6746 B16R0.70 CCCCCCCCOCCC(C)C(=O)OC 7a_100000210232_100000034942 [0,2,0,0,0,0|2,0,0]=4 6747 B16R0.70 CCCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210317 [0,2,0,0,0,0|2,0,0]=4 6748 B16R0.70 CCCCCCCCSCCC(C)C(=O)OC 62a_100000210759_100000034942 [0,2,0,0,0,0|2,0,0]=4 6749 B16R0.70 CNC(=O)C(=O)CCCCCCCCCCO 1458a_100011218921_100009813290 [0,2,0,0,0,0|1,0,1]=4 6750 B16R0.70 CNC(=O)C(C)CNCCCCCCCCO 2230a_100015187722_100000033203 [0,2,0,0,0,0|2,0,0]=4 6751 B16R0.70 CNC(=O)C(C)CNCCCCCCCCO 34a_100015187722_100000033203 [0,2,0,0,0,0|2,0,0]=4 6752 B16R0.70 CNC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100000731044 [0,2,0,0,0,0|2,0,0]=4 6753 B16R0.70 CNC(=O)C(C)NCCCCCCCCCO 34a_100000078944_100000731044 [0,2,0,0,0,0|2,0,0]=4 6754 B16R0.70 CNC(=O)C(C)SCCCCCCCCCO 62a_100000209862_100009813782 [0,2,0,0,0,0|2,0,0]=4 6755 B16R0.70 CNC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100000731044 [0,2,0,0,0,0|2,0,0]=4 6756 B16R0.70 CNC(=O)C(F)NCCCCCCCCCO 2230a_100000078944_100009813575 [0,2,0,0,0,0|2,0,0]=4 6757 B16R0.70 CNC(=O)C(F)NCCCCCCCCCO 34a_100000078944_100009813575 [0,2,0,0,0,0|2,0,0]=4 6758 B16R0.70 CNC(=O)C(F)SCCCCCCCCCO 62a_100009813575_100009813782 [0,2,0,0,0,0|2,0,0]=4 6759 B16R0.70 CNC(=O)C(F)SCCCCCCCCCO 62a_100009813782_100009813575 [0,2,0,0,0,0|2,0,0]=4 6760 B16R0.70 CNC(=O)[C@@H](C)NCCCCCCCCCO 2230a_100000684985_100009813782 [0,2,0,0,0,0|2,0,0]=4 6761 B16R0.70 CNC(=O)[C@@H](C)NCCCCCCCCCO 34a_100000684985_100009813782 [0,2,0,0,0,0|2,0,0]=4 6762 B16R0.70 COC(=O)C(=O)CNCCCCCCCCO 34a_102515433106_100011610305 [0,2,0,0,0,0|1,0,1]=4 6763 B16R0.70 COC(=O)C(=O)CSCCCCCCCCO 62a_100000033203_100011610305 [0,2,0,0,0,0|1,0,1]=4 6764 B16R0.70 COC(=O)C(=O)CSCCCCCCCCO 62a_100011610305_100000033203 [0,2,0,0,0,0|1,0,1]=4 6765 B16R0.70 COC(=O)C(=O)NCCCCCCCCCO 240690a_100000078944_100000024059 [0,2,0,0,0,0|1,0,1]=4 6766 B16R0.70 COC(=O)C(C)CCNCCCCCCCO 2230a_100011996573_100000034942 [0,2,0,0,0,0|1,0,0]=3 6767 B16R0.70 COC(=O)C(C)CCNCCCCCCCO 34a_100011996573_100000034942 [0,2,0,0,0,0|1,0,0]=3 6768 B16R0.70 COC(=O)C(C)CCNCCCOCCCO 2230a_100011310245_100000034942 [0,2,0,0,0,0|2,0,0]=4 6769 B16R0.70 COC(=O)C(C)CCNCCCOCCCO 34a_100011310245_100000034942 [0,2,0,0,0,0|2,0,0]=4 6770 B16R0.70 COC(=O)C(C)CCOCCCCCCCBr 34a_100000760002_100000034942 [0,2,0,0,0,0|2,0,0]=4 6771 B16R0.70 COC(=O)C(C)CCOCCCCCCCBr 7a_100000760002_100000034942 [0,2,0,0,0,0|2,0,0]=4 6772 B16R0.70 COC(=O)C(C)CCOCCCCCCCN 34a_100011996573_100000034942 [0,2,0,0,0,0|2,0,0]=4 6773 B16R0.70 COC(=O)C(C)CCSCCCCCCCO 62a_100000034942_100000760002 [0,2,0,0,0,0|1,0,0]=3 6774 B16R0.70 COC(=O)C(C)CCSCCCCCCCO 62a_100000760002_100000034942 [0,2,0,0,0,0|1,0,0]=3 6775 B16R0.70 COC(=O)C(C)CNCCCCCCCCO 34a_102515433106_100000698445 [0,2,0,0,0,0|1,0,0]=3 6776 B16R0.70 COC(=O)C(C)COCCCCCCCCBr 34a_100009813846_100000698445 [0,2,0,0,0,0|2,0,0]=4 6777 B16R0.70 COC(=O)C(C)COCCCCCCCCCl 34a_100000033203_100000698445 [0,2,0,0,0,0|2,0,0]=4 6778 B16R0.70 COC(=O)C(C)COCCCCCCCCN 34a_102515433106_100000698445 [0,2,0,0,0,0|2,0,0]=4 6779 B16R0.70 COC(=O)C(C)COCCCCCCCCO 34a_100000749362_100000033203 [0,2,0,0,0,0|1,0,0]=3 6780 B16R0.70 COC(=O)C(C)COCCCCCCCCO 7a_100000749362_100000033203 [0,2,0,0,0,0|1,0,0]=3 6781 B16R0.70 COC(=O)C(C)CSCCCCCCCCO 62a_100000033203_100000698445 [0,2,0,0,0,0|1,0,0]=3 6782 B16R0.70 COC(=O)C(C)CSCCCCCCCCO 62a_100000698445_100000033203 [0,2,0,0,0,0|1,0,0]=3 6783 B16R0.70 COC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100000211248 [0,2,0,0,0,0|1,0,0]=3 6784 B16R0.70 COC(=O)C(C)NCCCCCCCCCO 34a_100000078944_100000211248 [0,2,0,0,0,0|1,0,0]=3 6785 B16R0.70 COC(=O)C(C)OCCCCCCCCCBr 34a_100009813782_100000211248 [0,2,0,0,0,0|2,0,0]=4 6786 B16R0.70 COC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000211248 [0,2,0,0,0,0|2,0,0]=4 6787 B16R0.70 COC(=O)C(C)OCCCCCCCCCCl 34a_100009868337_100000211248 [0,2,0,0,0,0|2,0,0]=4 6788 B16R0.70 COC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000211248 [0,2,0,0,0,0|2,0,0]=4 6789 B16R0.70 COC(=O)C(C)OCCCCCCCCCN 34a_100000078944_100000211248 [0,2,0,0,0,0|2,0,0]=4 6790 B16R0.70 COC(=O)C(C)OCCCCCCCCCO 34a_100011215400_100009813782 [0,2,0,0,0,0|1,0,0]=3 6791 B16R0.70 COC(=O)C(C)SCCCCCCCCCO 62a_100000211248_100009813782 [0,2,0,0,0,0|1,0,0]=3 6792 B16R0.70 COC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100000211248 [0,2,0,0,0,0|1,0,0]=3 6793 B16R0.70 COC(=O)C(F)COCCCCCCCCO 34a_200009849844_100000033203 [0,2,0,0,0,0|1,0,0]=3 6794 B16R0.70 COC(=O)[C@H](N)COCCCCCCCCO 34a_100000003586_100000033203 [0,2,0,0,0,0|1,0,0]=3 6795 B16R0.70 NNC(=O)C(N)COCCCCCCCCO 34a_100016989258_100000033203 [0,2,0,0,0,0|2,0,0]=4 6796 B16R0.108 CCCCCCCC(=O)CCCCC(=O)OC 1458a_100000211969_100000204269 [0,2,0,0,0,0|1,0,1]=4 6797 B16R0.108 CCCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210614 [0,2,0,0,0,0|1,0,1]=4 6798 B16R0.108 CCCCCCCC(C)OCCCC(=O)OC 34a_200011215852_100000742333 [0,2,0,0,0,0|2,0,0]=4 6799 B16R0.108 CCCCCCCC(C)OCCCC(=O)OC 7a_200011215852_100011218270 [0,2,0,0,0,0|2,0,0]=4 6800 B16R0.108 CCCCCCCC(C)SCCCC(=O)OC 62a_100011218270_200011218727 [0,2,0,0,0,0|2,0,0]=4 6801 B16R0.108 CCCCCCCC(C)SCCCC(=O)OC 62a_200011218727_100011218270 [0,2,0,0,0,0|2,0,0]=4 6802 B16R0.108 CCCCCCCN(C)CCCCC(=O)OC 2230a_100000228206_100000204269 [0,2,0,0,0,0|2,0,0]=4 6803 B16R0.108 CCCCCCCN(C)CCCCC(=O)OC 269982a_100000228206_100000204269 [0,2,0,0,0,0|2,0,0]=4 6804 B16R0.108 COC(=O)CCCCC(=O)CCCCCCF 1458a_100000695723_100015922095 [0,2,0,0,0,0|1,0,1]=4 6805 B16R0.108 COC(=O)CCCCC(=O)CCCCCCO 1458a_100000695723_100000766143 [0,2,0,0,0,0|0,0,1]=3 6806 B16R0.108 COC(=O)CCCCC(=O)CCCCCCO 1458a_100011996774_100000204269 [0,2,0,0,0,0|0,0,1]=3 6807 B16R0.108 COC(=O)CCCCC(=O)NCCCCCO 240690a_100000762737_100000695723 [0,2,0,0,0,0|1,0,1]=4 6808 B16R0.108 COC(=O)CCCNC(=O)CCCCCCO 188690a_100000184769_100011996774 [0,2,0,0,0,0|1,0,1]=4 6809 B16R0.108 COC(=O)COCCC(=O)CCCCCCO 1458a_100011996774_100000090808 [0,2,0,0,0,0|1,0,1]=4 6810 B16R0.108 COC(=O)NCCCC(=O)CCCCCCO 1458a_100000753017_100000766143 [0,2,0,0,0,0|1,0,1]=4 6811 B16R0.164 CCC(=O)CCCCCCCCCC(=O)OC 1458a_100000210414_100009813843 [0,2,0,0,0,0|1,0,1]=4 6812 B16R0.164 CCC(=O)CCCCCCCCCC(=O)OC 1458a_100009997464_100000210202 [0,2,0,0,0,0|1,0,1]=4 6813 B16R0.164 CCC(C)CCCCCOCCCC(=O)OC 7a_200000035636_100011218270 [0,2,0,0,0,0|2,0,0]=4 6814 B16R0.164 CCC(C)CCCOCCCCCC(=O)OC 7a_100011216074_100009816466 [0,2,0,0,0,0|2,0,0]=4 6815 B16R0.164 CCC(C)CCNCCCCCCC(=O)OC 2230a_100020591266_100009815986 [0,2,0,0,0,0|2,0,0]=4 6816 B16R0.164 CCC(C)CCOCCCCCCC(=O)OC 7a_100011215188_100009815986 [0,2,0,0,0,0|2,0,0]=4 6817 B16R0.164 CCC(C)CNCCCCCCCC(=O)OC 2230a_100020588543_100010004213 [0,2,0,0,0,0|2,0,0]=4 6818 B16R0.164 CCC(C)COCCCCCCCC(=O)OC 34a_100011022521_100000748023 [0,2,0,0,0,0|2,0,0]=4 6819 B16R0.164 CCC(C)COCCCCCCCC(=O)OC 7a_100011022521_100000748023 [0,2,0,0,0,0|2,0,0]=4 6820 B16R0.164 CCC(C)CSCCCCCCCC(=O)OC 62a_100000748023_100010004213 [0,2,0,0,0,0|2,0,0]=4 6821 B16R0.164 CCC(C)CSCCCCCCCC(=O)OC 62a_100010004213_100000748023 [0,2,0,0,0,0|2,0,0]=4 6822 B16R0.164 CCC(C)NCCCCCCCCC(=O)OC 2230a_100000209981_100010282707 [0,2,0,0,0,0|2,0,0]=4 6823 B16R0.164 CCC(C)OCCCCCCCCC(=O)OC 34a_100000035544_100011215416 [0,2,0,0,0,0|2,0,0]=4 6824 B16R0.164 CCC(C)OCCCCCCCCC(=O)OC 7a_100000035544_100000758301 [0,2,0,0,0,0|2,0,0]=4 6825 B16R0.164 CCC(C)OCCCCCCCCC(=O)OC 7a_100000210228_100010282707 [0,2,0,0,0,0|2,0,0]=4 6826 B16R0.164 CCC(C)SCCCCCCCCC(=O)OC 62a_100000758301_100010282707 [0,2,0,0,0,0|2,0,0]=4 6827 B16R0.164 CCC(C)SCCCCCCCCC(=O)OC 62a_100010282707_100000758301 [0,2,0,0,0,0|2,0,0]=4 6828 B16R0.164 CCC(O)CNCCCCCCCC(=O)OC 2230a_100011218483_100010004213 [0,2,0,0,0,0|2,0,0]=4 6829 B16R0.164 CCC(O)COCCCCCCCC(=O)OC 34a_100011022521_100011218378 [0,2,0,0,0,0|2,0,0]=4 6830 B16R0.164 CCC(O)COCCCCCCCC(=O)OC 7a_100011022521_100011218378 [0,2,0,0,0,0|2,0,0]=4 6831 B16R0.164 CCC(O)CSCCCCCCCC(=O)OC 62a_100010004213_100011218378 [0,2,0,0,0,0|2,0,0]=4 6832 B16R0.164 CCC(O)CSCCCCCCCC(=O)OC 62a_100011218378_100010004213 [0,2,0,0,0,0|2,0,0]=4 6833 B16R0.164 CCN(C)CCCCCCCCCC(=O)OC 2230a_100000225621_100009813843 [0,2,0,0,0,0|2,0,0]=4 6834 B16R0.164 CCN(C)CCCCCCCCCC(=O)OC 269982a_100000225621_100009813843 [0,2,0,0,0,0|2,0,0]=4 6835 B16R0.164 CC[C@H](C)COCCCCCCCC(=O)OC 34a_100011022521_100009816398 [0,2,0,0,0,0|2,0,0]=4 6836 B16R0.164 CC[C@H](C)COCCCCCCCC(=O)OC 7a_100009816381_100010004213 [0,2,0,0,0,0|2,0,0]=4 6837 B16R0.164 CC[C@H](C)COCCCCCCCC(=O)OC 7a_100011022521_100009816398 [0,2,0,0,0,0|2,0,0]=4 6838 B16R0.164 CC[C@H](C)CSCCCCCCCC(=O)OC 62a_100009816398_100010004213 [0,2,0,0,0,0|2,0,0]=4 6839 B16R0.164 CC[C@H](C)CSCCCCCCCC(=O)OC 62a_100010004213_100009816398 [0,2,0,0,0,0|2,0,0]=4 6840 B16R0.164 COC(=O)CCCCCCCCCC(=O)CF 1458a_100009997464_100015361967 [0,2,0,0,0,0|1,0,1]=4 6841 B16R0.164 COC(=O)CCCCCCCCCC(=O)CO 1458a_100000210174_100009813843 [0,2,0,0,0,0|0,0,1]=3 6842 B16R0.164 COC(=O)CCCCCCCCN[C@H](C)CO 2230a_100000737577_100010282707 [0,2,0,0,0,0|1,0,0]=3 6843 B16R0.164 COC(=O)CCCCCCCCOC(C)CF 34a_100016041109_100010282707 [0,2,0,0,0,0|2,0,0]=4 6844 B16R0.164 COC(=O)CCCCCCCCOC(C)CF 7a_100016041109_100010282707 [0,2,0,0,0,0|2,0,0]=4 6845 B16R0.164 COC(=O)CCCCCCCCOC(C)CN 34a_100000210904_100010282707 [0,2,0,0,0,0|2,0,0]=4 6846 B16R0.164 COC(=O)CCCCCCCCOC(C)CO 34a_100000035544_100012180447 [0,2,0,0,0,0|1,0,0]=3 6847 B16R0.164 COC(=O)CCCCCCCCOC(C)CO 7a_100000035544_100012180447 [0,2,0,0,0,0|1,0,0]=3 6848 B16R0.164 COC(=O)CCCCCCCCSC(C)CO 62a_100012180447_100010282707 [0,2,0,0,0,0|1,0,0]=3 6849 B16R0.164 COC(=O)CCCCCCCCS[C@H](C)CO 62a_100010282707_100016084084 [0,2,0,0,0,0|1,0,0]=3 6850 B16R0.164 COC(=O)CCCCCCCCS[C@H](C)CO 62a_100016084084_100010282707 [0,2,0,0,0,0|1,0,0]=3 6851 B16R0.164 COC(=O)CCCCCCCNCC(C)CO 34a_100000744482_100010004213 [0,2,0,0,0,0|1,0,0]=3 6852 B16R0.164 COC(=O)CCCCCCCNC[C@@H](F)CO 34a_100015665980_100010004213 [0,2,0,0,0,0|1,0,0]=3 6853 B16R0.164 COC(=O)CCCCCCCNC[C@H](O)CO 2230a_100020644852_100010004213 [0,2,0,0,0,0|1,0,0]=3 6854 B16R0.164 COC(=O)CCCCCCCOCC(C)CN 34a_100000744482_100010004213 [0,2,0,0,0,0|2,0,0]=4 6855 B16R0.164 COC(=O)CCCCCCCOCC(Cl)CCl 34a_100000033668_100010004213 [0,2,0,0,0,0|2,0,0]=4 6856 B16R0.164 COC(=O)CCCCCCCOCC(O)CO 34a_100011022521_100011219619 [0,2,0,0,0,0|1,0,0]=3 6857 B16R0.164 COC(=O)CCCCCCCOCC(O)CO 7a_100011022521_100011219619 [0,2,0,0,0,0|1,0,0]=3 6858 B16R0.164 COC(=O)CCCCCCCOC[C@@H](C)CO 34a_100011022521_100000059175 [0,2,0,0,0,0|1,0,0]=3 6859 B16R0.164 COC(=O)CCCCCCCOC[C@@H](C)CO 7a_100011022521_100000059175 [0,2,0,0,0,0|1,0,0]=3 6860 B16R0.164 COC(=O)CCCCCCCOC[C@@H](O)CF 34a_100011022521_100015614560 [0,2,0,0,0,0|2,0,0]=4 6861 B16R0.164 COC(=O)CCCCCCCOC[C@@H](O)CF 7a_100011022521_100015614560 [0,2,0,0,0,0|2,0,0]=4 6862 B16R0.164 COC(=O)CCCCCCCOC[C@@H](O)CO 34a_100011022521_100009815848 [0,2,0,0,0,0|1,0,0]=3 6863 B16R0.164 COC(=O)CCCCCCCOC[C@@H](O)CO 7a_100011022521_100009815848 [0,2,0,0,0,0|1,0,0]=3 6864 B16R0.164 COC(=O)CCCCCCCOC[C@H](F)CN 34a_100015665980_100010004213 [0,2,0,0,0,0|2,0,0]=4 6865 B16R0.164 COC(=O)CCCCCCCSCC(O)CO 62a_100010004213_100011219619 [0,2,0,0,0,0|1,0,0]=3 6866 B16R0.164 COC(=O)CCCCCCCSCC(O)CO 62a_100011219619_100010004213 [0,2,0,0,0,0|1,0,0]=3 6867 B16R0.164 COC(=O)CCCCCCCSC[C@@H](C)CO 62a_100000059175_100010004213 [0,2,0,0,0,0|1,0,0]=3 6868 B16R0.164 COC(=O)CCCCCCCSC[C@@H](C)CO 62a_100010004213_100000059175 [0,2,0,0,0,0|1,0,0]=3 6869 B16R0.164 COC(=O)CCCCCCCSC[C@@H](O)CF 62a_100010004213_100015614560 [0,2,0,0,0,0|2,0,0]=4 6870 B16R0.164 COC(=O)CCCCCCCSC[C@@H](O)CF 62a_100015614560_100010004213 [0,2,0,0,0,0|2,0,0]=4 6871 B16R0.164 COC(=O)CCCCCCCSC[C@@H](O)CO 62a_100009815848_100010004213 [0,2,0,0,0,0|1,0,0]=3 6872 B16R0.164 COC(=O)CCCCCCCSC[C@@H](O)CO 62a_100010004213_100009815848 [0,2,0,0,0,0|1,0,0]=3 6873 B16R0.164 COC(=O)CCCCCCNCCC(C)CO 2230a_106354213184_100009815986 [0,2,0,0,0,0|1,0,0]=3 6874 B16R0.164 COC(=O)CCCCCCNCCC(C)CO 34a_106354213184_100009815986 [0,2,0,0,0,0|1,0,0]=3 6875 B16R0.164 COC(=O)CCCCCOCCC[C@@H](C)CN 34a_100160569302_100009816466 [0,2,0,0,0,0|2,0,0]=4 6876 B16R0.165 C#CC(O)CCCCCNCCCCC(=O)N 34a_100000696515_200010408556 [0,2,0,0,0,0|2,0,0]=4 6877 B16R0.165 C#CC(O)CCCCCNCCOCC(=O)O 269956a_100000700818_200010408556 [0,2,0,0,0,0|2,0,0]=4 6878 B16R0.165 C#CC(O)CCCCCOCCCCC(=O)N 34a_100012022536_200010408556 [0,2,0,0,0,0|2,0,0]=4 6879 B16R0.165 C#CC(O)CCCCCOCCCCC(=O)N 7a_100012022536_200010408556 [0,2,0,0,0,0|2,0,0]=4 6880 B16R0.165 C#CC(O)CCCCCSCCCCC(=O)C 62a_100000735457_200010408556 [0,2,0,0,0,0|2,0,0]=4 6881 B16R0.165 C#CC(O)CCCCCSCCCCC(=O)C 62a_200010408556_100000735457 [0,2,0,0,0,0|2,0,0]=4 6882 B16R0.165 CCC(=O)CCCCCCCCCCC(=O)N 1458a_100000210414_200010167045 [0,2,0,0,0,0|2,0,0]=4 6883 B16R0.165 CCC(C)CCCCCOCCCCC(=O)C 7a_200000035636_100000735457 [0,2,0,0,0,0|2,0,0]=4 6884 B16R0.165 CCN(C)CCCCCCCCCCC(=O)N 2230a_100000225621_200010167045 [0,2,0,0,0,0|2,0,0]=4 6885 B16R0.165 CCN(C)CCCCCCCCCCC(=O)N 269982a_100000225621_200010167045 [0,2,0,0,0,0|2,0,0]=4 6886 B16R0.165 COC(=O)CCCCCCCCCCC(=O)C 1458a_100000070787_100009812566 [0,2,0,0,0,0|0,0,2]=4 6887 B16R0.165 COC(=O)CCCCCCCCCCC(=O)C 1458a_100016987261_200000210301 [0,2,0,0,0,0|0,0,2]=4 6888 B16R0.165 COC(=O)CCCCCCCCCCC(=O)[13CH3] 1458a_100016987261_200025704644 [0,2,0,0,0,0|0,0,2]=4 6889 B16R0.165 COC(=O)CCCCCCCCCCN(C)C 2230a_100102631434_100009812566 [0,2,0,0,0,0|2,0,0]=4 6890 B16R0.165 COC(=O)CCCCCCCCCCN(C)C 269982a_100102631434_100009812566 [0,2,0,0,0,0|2,0,0]=4 6891 B16R0.165 COC(=O)CCCCCCCCCNC(C)C 2230a_100138425928_100009813843 [0,2,0,0,0,0|2,0,0]=4 6892 B16R0.165 COC(=O)CCCCCCCCCNC(C)C 34a_100138425928_100009813843 [0,2,0,0,0,0|2,0,0]=4 6893 B16R0.165 COC(=O)CCCCCCCCCOC(C)C 34a_100000212225_100009813843 [0,2,0,0,0,0|2,0,0]=4 6894 B16R0.165 COC(=O)CCCCCCCCCSC(C)C 62a_100000210206_100009813843 [0,2,0,0,0,0|2,0,0]=4 6895 B16R0.165 COC(=O)CCCCCCCCNCC(=O)O 269956a_100016091260_100010282707 [0,2,0,0,0,0|1,0,1]=4 6896 B16R0.165 COC(=O)CCCCCCCCNCC(C)C 2230a_100000210953_100010282707 [0,2,0,0,0,0|2,0,0]=4 6897 B16R0.165 COC(=O)CCCCCCCCNCC(C)C 34a_100000210953_100010282707 [0,2,0,0,0,0|2,0,0]=4 6898 B16R0.165 COC(=O)CCCCCCCCNCC(C)O 2230a_100000210904_100010282707 [0,2,0,0,0,0|1,0,0]=3 6899 B16R0.165 COC(=O)CCCCCCCCNCC(C)O 34a_100000210904_100010282707 [0,2,0,0,0,0|1,0,0]=3 6900 B16R0.165 COC(=O)CCCCCCCCNCC(F)F 34a_100000765723_100010282707 [0,2,0,0,0,0|2,0,0]=4 6901 B16R0.165 COC(=O)CCCCCCCCOCC(C)Br 34a_100012180447_100010282707 [0,2,0,0,0,0|2,0,0]=4 6902 B16R0.165 COC(=O)CCCCCCCCOCC(C)C 34a_100000035544_100000210624 [0,2,0,0,0,0|2,0,0]=4 6903 B16R0.165 COC(=O)CCCCCCCCOCC(C)C 34a_100000210257_100010282707 [0,2,0,0,0,0|2,0,0]=4 6904 B16R0.165 COC(=O)CCCCCCCCOCC(C)C 7a_100000035544_100000210760 [0,2,0,0,0,0|2,0,0]=4 6905 B16R0.165 COC(=O)CCCCCCCCOCC(C)F 34a_100015925927_100010282707 [0,2,0,0,0,0|2,0,0]=4 6906 B16R0.165 COC(=O)CCCCCCCCOCC(C)O 34a_100000035544_100011218427 [0,2,0,0,0,0|1,0,0]=3 6907 B16R0.165 COC(=O)CCCCCCCCOCC(C)O 7a_100000035544_100011218427 [0,2,0,0,0,0|1,0,0]=3 6908 B16R0.165 COC(=O)CCCCCCCCOCC(F)F 34a_100000035544_100011934356 [0,2,0,0,0,0|2,0,0]=4 6909 B16R0.165 COC(=O)CCCCCCCCOCC(F)F 34a_100000743014_100010282707 [0,2,0,0,0,0|2,0,0]=4 6910 B16R0.165 COC(=O)CCCCCCCCOCC(F)F 7a_100000035544_100011934356 [0,2,0,0,0,0|2,0,0]=4 6911 B16R0.165 COC(=O)CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100010282707 [0,2,0,0,0,0|2,0,0]=4 6912 B16R0.165 COC(=O)CCCCCCCCOC[C@@H](C)N 34a_100000737577_100010282707 [0,2,0,0,0,0|2,0,0]=4 6913 B16R0.165 COC(=O)CCCCCCCCOC[C@@H](C)O 34a_100000035544_100009817552 [0,2,0,0,0,0|1,0,0]=3 6914 B16R0.165 COC(=O)CCCCCCCCOC[C@@H](C)O 7a_100000035544_100009817552 [0,2,0,0,0,0|1,0,0]=3 6915 B16R0.165 COC(=O)CCCCCCCCSCC(C)C 62a_100000210624_100010282707 [0,2,0,0,0,0|2,0,0]=4 6916 B16R0.165 COC(=O)CCCCCCCCSCC(C)C 62a_100010282707_100000210760 [0,2,0,0,0,0|2,0,0]=4 6917 B16R0.165 COC(=O)CCCCCCCCSCC(C)O 62a_100010282707_100011218427 [0,2,0,0,0,0|1,0,0]=3 6918 B16R0.165 COC(=O)CCCCCCCCSCC(C)O 62a_100011218427_100010282707 [0,2,0,0,0,0|1,0,0]=3 6919 B16R0.165 COC(=O)CCCCCCCCSCC(F)F 62a_100010282707_100011934356 [0,2,0,0,0,0|2,0,0]=4 6920 B16R0.165 COC(=O)CCCCCCCCSCC(F)F 62a_100011934356_100010282707 [0,2,0,0,0,0|2,0,0]=4 6921 B16R0.165 COC(=O)CCCCCCCCSC[C@@H](C)O 62a_100009817552_100010282707 [0,2,0,0,0,0|1,0,0]=3 6922 B16R0.165 COC(=O)CCCCCCCCSC[C@@H](C)O 62a_100010282707_100009817552 [0,2,0,0,0,0|1,0,0]=3 6923 B16R0.165 COC(=O)CCCCCCCNCCC(C)O 2230a_200000755665_100010004213 [0,2,0,0,0,0|1,0,0]=3 6924 B16R0.165 COC(=O)CCCCCCCOCCC(C)Br 34a_100009893172_100010004213 [0,2,0,0,0,0|2,0,0]=4 6925 B16R0.165 COC(=O)CCCCCCCOCCC(C)C 34a_100000210254_100010004213 [0,2,0,0,0,0|2,0,0]=4 6926 B16R0.165 COC(=O)CCCCCCCOCCC(C)C 34a_100011022521_100000210312 [0,2,0,0,0,0|2,0,0]=4 6927 B16R0.165 COC(=O)CCCCCCCOCCC(C)C 7a_100000210254_100010004213 [0,2,0,0,0,0|2,0,0]=4 6928 B16R0.165 COC(=O)CCCCCCCOCCC(C)C 7a_100011022521_100000210626 [0,2,0,0,0,0|2,0,0]=4 6929 B16R0.165 COC(=O)CCCCCCCOCCC(C)O 34a_100011022521_100012276601 [0,2,0,0,0,0|1,0,0]=3 6930 B16R0.165 COC(=O)CCCCCCCOCCC(C)O 7a_100011022521_100012276601 [0,2,0,0,0,0|1,0,0]=3 6931 B16R0.165 COC(=O)CCCCCCCOCCC(F)F 34a_100103093639_100010004213 [0,2,0,0,0,0|2,0,0]=4 6932 B16R0.165 COC(=O)CCCCCCCOCC[C@@H](C)N 34a_100000706166_100010004213 [0,2,0,0,0,0|2,0,0]=4 6933 B16R0.165 COC(=O)CCCCCCCSCCC(C)C 62a_100000210312_100010004213 [0,2,0,0,0,0|2,0,0]=4 6934 B16R0.165 COC(=O)CCCCCCCSCCC(C)C 62a_100010004213_100000210312 [0,2,0,0,0,0|2,0,0]=4 6935 B16R0.165 COC(=O)CCCCCCCSCCC(C)O 62a_100010004213_100012276601 [0,2,0,0,0,0|1,0,0]=3 6936 B16R0.165 COC(=O)CCCCCCCSCCC(C)O 62a_100012276601_100010004213 [0,2,0,0,0,0|1,0,0]=3 6937 B16R0.165 COC(=O)CCCCCCNCCCC(C)C 2230a_200000737386_100009815986 [0,2,0,0,0,0|2,0,0]=4 6938 B16R0.165 COC(=O)CCCCCCNCCCC(C)C 34a_200000737386_100009815986 [0,2,0,0,0,0|2,0,0]=4 6939 B16R0.165 COC(=O)CCCCCCOCCCC(C)C 34a_100000210774_100009815986 [0,2,0,0,0,0|2,0,0]=4 6940 B16R0.165 COC(=O)CCCCCCOCCCC(C)C 34a_100009863599_100011214892 [0,2,0,0,0,0|2,0,0]=4 6941 B16R0.165 COC(=O)CCCCCCOCCCC(C)C 7a_100000210774_100009815986 [0,2,0,0,0,0|2,0,0]=4 6942 B16R0.165 COC(=O)CCCCCCOCCCC(C)C 7a_100009863599_100011214892 [0,2,0,0,0,0|2,0,0]=4 6943 B16R0.165 COC(=O)CCCCCCOCCCC(C)O 34a_100009863599_200000718107 [0,2,0,0,0,0|1,0,0]=3 6944 B16R0.165 COC(=O)CCCCCCOCCCC(C)O 7a_100009863599_200000718107 [0,2,0,0,0,0|1,0,0]=3 6945 B16R0.165 COC(=O)CCCCCCSCCCC(C)C 62a_100009815986_100011214892 [0,2,0,0,0,0|2,0,0]=4 6946 B16R0.165 COC(=O)CCCCCCSCCCC(C)C 62a_100011214892_100009815986 [0,2,0,0,0,0|2,0,0]=4 6947 B16R0.165 COC(=O)CCCCCCSCCCC(C)O 62a_100009815986_200000718107 [0,2,0,0,0,0|1,0,0]=3 6948 B16R0.165 COC(=O)CCCCCCSCCCC(C)O 62a_200000718107_100009815986 [0,2,0,0,0,0|1,0,0]=3 6949 B16R0.165 COC(=O)CCCCCOCCCCB(O)O 34a_100000074720_200009817182 [0,2,0,0,0,0|2,0,0]=4 6950 B16R0.165 COC(=O)CCCCCOCCCCB(O)O 7a_100000074720_200009817182 [0,2,0,0,0,0|2,0,0]=4 6951 B16R0.165 COC(=O)CCCCCOCCCCC(C)C 34a_100000074720_100011216152 [0,2,0,0,0,0|2,0,0]=4 6952 B16R0.165 COC(=O)CCCCCOCCCCC(C)C 34a_100011214890_100009816466 [0,2,0,0,0,0|2,0,0]=4 6953 B16R0.165 COC(=O)CCCCCOCCCCC(C)C 7a_100000074720_100011216152 [0,2,0,0,0,0|2,0,0]=4 6954 B16R0.165 COC(=O)CCCCCOCCCCC(C)C 7a_100011214890_100009816466 [0,2,0,0,0,0|2,0,0]=4 6955 B16R0.165 COC(=O)CCCCCSCCCCB(O)O 62a_100009816466_200009817182 [0,2,0,0,0,0|2,0,0]=4 6956 B16R0.165 COC(=O)CCCCCSCCCCB(O)O 62a_200009817182_100009816466 [0,2,0,0,0,0|2,0,0]=4 6957 B16R0.165 COC(=O)CCCCCSCCCCC(C)C 62a_100009816466_100011216152 [0,2,0,0,0,0|2,0,0]=4 6958 B16R0.165 COC(=O)CCCCCSCCCCC(C)C 62a_100011216152_100009816466 [0,2,0,0,0,0|2,0,0]=4 6959 B16R0.165 COC(=O)CCCCNCCCCCC(C)C 2230a_100011290863_100000204269 [0,2,0,0,0,0|2,0,0]=4 6960 B16R0.165 COC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100000204269 [0,2,0,0,0,0|2,0,0]=4 6961 B16R0.165 COC(=O)CCCCOCCCCCB(O)O 34a_100000059025_200009817188 [0,2,0,0,0,0|2,0,0]=4 6962 B16R0.165 COC(=O)CCCCOCCCCCB(O)O 7a_100000059025_200009817188 [0,2,0,0,0,0|2,0,0]=4 6963 B16R0.165 COC(=O)CCCCOCCCCCC(C)C 34a_100000059025_100000210682 [0,2,0,0,0,0|2,0,0]=4 6964 B16R0.165 COC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100000204269 [0,2,0,0,0,0|2,0,0]=4 6965 B16R0.165 COC(=O)CCCCOCCCCCC(C)C 7a_100000059025_100000210682 [0,2,0,0,0,0|2,0,0]=4 6966 B16R0.165 COC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000204269 [0,2,0,0,0,0|2,0,0]=4 6967 B16R0.165 COC(=O)CCCCSCCCCCB(O)O 62a_100000204269_200009817188 [0,2,0,0,0,0|2,0,0]=4 6968 B16R0.165 COC(=O)CCCCSCCCCCB(O)O 62a_200009817188_100000204269 [0,2,0,0,0,0|2,0,0]=4 6969 B16R0.165 COC(=O)CCCCSCCCCCC(C)C 62a_100000204269_100000210682 [0,2,0,0,0,0|2,0,0]=4 6970 B16R0.165 COC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000204269 [0,2,0,0,0,0|2,0,0]=4 6971 B16R0.165 COC(=O)CCCNCCCCCCC(C)C 2230a_100000211014_100011218270 [0,2,0,0,0,0|2,0,0]=4 6972 B16R0.165 COC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100000742333 [0,2,0,0,0,0|2,0,0]=4 6973 B16R0.165 COC(=O)CCCSCCCCCCB(O)O 62a_100009817187_100011218270 [0,2,0,0,0,0|2,0,0]=4 6974 B16R0.165 COC(=O)CCCSCCCCCCB(O)O 62a_100011218270_100009817187 [0,2,0,0,0,0|2,0,0]=4 6975 B16R0.165 COC(=O)CCOCCCCCCCC(C)C 34a_200000210741_100000742370 [0,2,0,0,0,0|2,0,0]=4 6976 B16R0.165 COC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000204255 [0,2,0,0,0,0|2,0,0]=4 6977 B16R0.165 NC(=O)CCCCCCCCCCC(=O)CO 1458a_100000210174_200010167045 [0,2,0,0,0,0|1,0,0]=3 6978 B16R0.184 CCCCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210757 [0,2,0,0,0,0|1,0,1]=4 6979 B16R0.184 CCCCCCC(=O)CCCCCC(=O)OC 1458a_100102632555_100009816466 [0,2,0,0,0,0|1,0,1]=4 6980 B16R0.184 CCCCCCC(C)CCOCCC(=O)OC 34a_200011024964_100000742370 [0,2,0,0,0,0|2,0,0]=4 6981 B16R0.184 CCCCCCC(C)CCOCCC(=O)OC 7a_200011024964_100000204255 [0,2,0,0,0,0|2,0,0]=4 6982 B16R0.184 CCCCCCC(C)NCCCCC(=O)OC 2230a_100000210919_100000204269 [0,2,0,0,0,0|2,0,0]=4 6983 B16R0.184 CCCCCCC(C)NCCCCC(=O)OC 34a_100000210919_100000204269 [0,2,0,0,0,0|2,0,0]=4 6984 B16R0.184 CCCCCCC(C)OCCCCC(=O)OC 34a_100000059025_100011215978 [0,2,0,0,0,0|2,0,0]=4 6985 B16R0.184 CCCCCCC(C)OCCCCC(=O)OC 34a_100000210265_100000204269 [0,2,0,0,0,0|2,0,0]=4 6986 B16R0.184 CCCCCCC(C)OCCCCC(=O)OC 7a_100000059025_100011215978 [0,2,0,0,0,0|2,0,0]=4 6987 B16R0.184 CCCCCCC(C)OCCCCC(=O)OC 7a_100000210265_100000204269 [0,2,0,0,0,0|2,0,0]=4 6988 B16R0.184 CCCCCCC(C)SCCCCC(=O)OC 62a_100000204269_100011215978 [0,2,0,0,0,0|2,0,0]=4 6989 B16R0.184 CCCCCCC(C)SCCCCC(=O)OC 62a_100011215978_100000204269 [0,2,0,0,0,0|2,0,0]=4 6990 B16R0.184 CCCCCCN(C)CCCCCC(=O)OC 2230a_106256046315_100009816466 [0,2,0,0,0,0|2,0,0]=4 6991 B16R0.184 CCCCCCN(C)CCCCCC(=O)OC 269982a_106256046315_100009816466 [0,2,0,0,0,0|2,0,0]=4 6992 B16R0.184 COC(=O)CCCCCC(=O)CCCCCF 1458a_100009848860_100000729378 [0,2,0,0,0,0|1,0,1]=4 6993 B16R0.184 COC(=O)CCCCCC(=O)CCCCCO 1458a_100009848860_100000746330 [0,2,0,0,0,0|0,0,1]=3 6994 B16R0.184 COC(=O)CCCCCC(=O)CCCCCO 1458a_100102619762_100009816466 [0,2,0,0,0,0|0,0,1]=3 6995 B16R0.184 COC(=O)CCCCCC(=O)CCOCCO 1458a_100009848860_100011215305 [0,2,0,0,0,0|1,0,1]=4 6996 B16R0.184 COC(=O)CCCCCC(=O)CCOCCO 1458a_100011229844_100009816466 [0,2,0,0,0,0|1,0,1]=4 6997 B16R0.184 COC(=O)CCCCCC(=O)NCCCCO 240690a_100000750430_100009848860 [0,2,0,0,0,0|1,0,1]=4 6998 B16R0.184 COC(=O)CCCCCN(C)CCCCCO 2230a_100000722520_100009816466 [0,2,0,0,0,0|1,0,0]=3 6999 B16R0.184 COC(=O)CCCCCN(C)CCCCCO 269982a_100000722520_100009816466 [0,2,0,0,0,0|1,0,0]=3 7000 B16R0.184 COC(=O)CCCCCN(C)CCOCCO 2230a_100000228057_100009816466 [0,2,0,0,0,0|2,0,0]=4 7001 B16R0.184 COC(=O)CCCCCN(C)CCOCCO 269982a_100000228057_100009816466 [0,2,0,0,0,0|2,0,0]=4 7002 B16R0.184 COC(=O)CCCCNC(=O)CCCCCO 188690a_100000746077_100102619762 [0,2,0,0,0,0|1,0,1]=4 7003 B16R0.221 C#CC(=O)CCCCCCCCCCCC=C 1458a_100000211873_102130925996 [0,2,0,0,0,0|2,0,0]=4 7004 B16R0.221 C#CC(=O)CCCCCCCCCCCCC 1458a_100000211873_100000210684 [0,2,0,0,0,0|2,0,0]=4 7005 B16R0.221 C#CC(=O)CCCCCCCCCCCCO 1458a_100000211873_100009813331 [0,2,0,0,0,0|1,0,0]=3 7006 B16R0.221 C#CC(=O)CCCCCCOCCCCCO 1458a_100000211873_200132310570 [0,2,0,0,0,0|1,0,0]=3 7007 B16R0.221 C#CC(O)CCCCCNCCCCCCO 2230a_100000686447_200010408556 [0,2,0,0,0,0|1,0,1]=4 7008 B16R0.221 C#CC(O)CCCCCNCCCCCCO 34a_100000686447_200010408556 [0,2,0,0,0,0|1,0,1]=4 7009 B16R0.221 C#CC(O)CCCCCSCCCCCCO 62a_100000766143_200010408556 [0,2,0,0,0,0|1,0,1]=4 7010 B16R0.221 C#CC(O)CCCCCSCCCCCCO 62a_200010408556_100000766143 [0,2,0,0,0,0|1,0,1]=4 7011 B16R0.221 C#CCCCCCCCCCOCC(=O)OC 34a_100000034437_100000747449 [0,2,0,0,0,0|1,0,1]=4 7012 B16R0.221 C#CCCCCCCCCCOCC(=O)OC 7a_100000034437_100000747449 [0,2,0,0,0,0|1,0,1]=4 7013 B16R0.221 C#CCCCCCCCCOCCC(=O)OC 34a_100000065265_100000742370 [0,2,0,0,0,0|1,0,1]=4 7014 B16R0.221 C#CCCCCCCCCOCCC(=O)OC 7a_100000065265_100000204255 [0,2,0,0,0,0|1,0,1]=4 7015 B16R0.221 C#CCCCCCCCOCCCC(=O)OC 34a_100000054614_100000742333 [0,2,0,0,0,0|1,0,1]=4 7016 B16R0.221 C#CCCCCCCCOCCCC(=O)OC 7a_100000054614_100011218270 [0,2,0,0,0,0|1,0,1]=4 7017 B16R0.221 C#CCCCCCCCSCCCC(=O)OC 62a_100011218270_100153394163 [0,2,0,0,0,0|1,0,1]=4 7018 B16R0.221 C#CCCCCCCCSCCCC(=O)OC 62a_100153394163_100011218270 [0,2,0,0,0,0|1,0,1]=4 7019 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 34a_100000059025_100012276617 [0,2,0,0,0,0|1,0,1]=4 7020 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 34a_100011217361_100000204269 [0,2,0,0,0,0|1,0,1]=4 7021 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 7a_100000059025_100012276617 [0,2,0,0,0,0|1,0,1]=4 7022 B16R0.221 C#CCCCCCCOCCCCC(=O)OC 7a_100011217361_100000204269 [0,2,0,0,0,0|1,0,1]=4 7023 B16R0.221 C#CCCCCCCSCCCCC(=O)OC 62a_100000204269_100012276617 [0,2,0,0,0,0|1,0,1]=4 7024 B16R0.221 C#CCCCCCCSCCCCC(=O)OC 62a_100012276617_100000204269 [0,2,0,0,0,0|1,0,1]=4 7025 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 34a_100000074720_100012094781 [0,2,0,0,0,0|1,0,1]=4 7026 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 34a_100000766912_100009816466 [0,2,0,0,0,0|1,0,1]=4 7027 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 7a_100000074720_100012094781 [0,2,0,0,0,0|1,0,1]=4 7028 B16R0.221 C#CCCCCCOCCCCCC(=O)OC 7a_100000766912_100009816466 [0,2,0,0,0,0|1,0,1]=4 7029 B16R0.221 C#CCCCCCSCCCCCC(=O)OC 62a_100009816466_100012094781 [0,2,0,0,0,0|1,0,1]=4 7030 B16R0.221 C#CCCCCCSCCCCCC(=O)OC 62a_100012094781_100009816466 [0,2,0,0,0,0|1,0,1]=4 7031 B16R0.221 C#CCCCCNCCCCCCC(=O)OC 2230a_100000706060_100009815986 [0,2,0,0,0,0|1,0,1]=4 7032 B16R0.221 C#CCCCCNCCCCCCC(=O)OC 34a_100000706060_100009815986 [0,2,0,0,0,0|1,0,1]=4 7033 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 34a_100000766709_100009815986 [0,2,0,0,0,0|1,0,1]=4 7034 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 34a_100009863599_100010269958 [0,2,0,0,0,0|1,0,1]=4 7035 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 7a_100000766709_100009815986 [0,2,0,0,0,0|1,0,1]=4 7036 B16R0.221 C#CCCCCOCCCCCCC(=O)OC 7a_100009863599_100010269958 [0,2,0,0,0,0|1,0,1]=4 7037 B16R0.221 C#CCCCCSCCCCCCC(=O)OC 62a_100009815986_100010269958 [0,2,0,0,0,0|1,0,1]=4 7038 B16R0.221 C#CCCCCSCCCCCCC(=O)OC 62a_100010269958_100009815986 [0,2,0,0,0,0|1,0,1]=4 7039 B16R0.221 C#CCCCNCCCCCCCC(=O)OC 34a_100000718082_100010004213 [0,2,0,0,0,0|1,0,1]=4 7040 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 34a_100000215630_100010004213 [0,2,0,0,0,0|1,0,1]=4 7041 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000695029 [0,2,0,0,0,0|1,0,1]=4 7042 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 7a_100000215630_100010004213 [0,2,0,0,0,0|1,0,1]=4 7043 B16R0.221 C#CCCCOCCCCCCCC(=O)OC 7a_100011022521_100011215417 [0,2,0,0,0,0|1,0,1]=4 7044 B16R0.221 C#CCCCSCCCCCCCC(=O)OC 62a_100010004213_100011215417 [0,2,0,0,0,0|1,0,1]=4 7045 B16R0.221 C#CCCCSCCCCCCCC(=O)OC 62a_100011215417_100010004213 [0,2,0,0,0,0|1,0,1]=4 7046 B16R0.221 C#CCCNCCCCCCCCC(=O)OC 34a_100000755551_100010282707 [0,2,0,0,0,0|1,0,1]=4 7047 B16R0.221 C#CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000688953 [0,2,0,0,0,0|1,0,1]=4 7048 B16R0.221 C#CCCOCCCCCCCCC(=O)OC 34a_100011215631_100010282707 [0,2,0,0,0,0|1,0,1]=4 7049 B16R0.221 C#CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000688953 [0,2,0,0,0,0|1,0,1]=4 7050 B16R0.221 C#CCCSCCCCCCCCC(=O)OC 62a_100000688953_100010282707 [0,2,0,0,0,0|1,0,1]=4 7051 B16R0.221 C#CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000688953 [0,2,0,0,0,0|1,0,1]=4 7052 B16R0.221 C#CCNCCCCCCCCCC(=O)OC 34a_100000212058_100009813843 [0,2,0,0,0,0|1,0,1]=4 7053 B16R0.221 C#CCOCCCCCCCCCC(=O)OC 34a_100000210247_100009813843 [0,2,0,0,0,0|1,0,1]=4 7054 B16R0.221 C#CCSCCCCCCCCCC(=O)OC 62a_100000038162_100009813843 [0,2,0,0,0,0|1,0,1]=4 7055 B16R0.221 C=C(C#N)CNCCCCCCCCCCO 2230a_100000066964_100000694840 [0,2,0,0,0,0|2,0,0]=4 7056 B16R0.221 C=C(C#N)CNCCCCCCCCCCO 34a_100000066964_100000694840 [0,2,0,0,0,0|2,0,0]=4 7057 B16R0.221 C=C(C#N)CSCCCCCCCCCCO 62a_100009813290_100000694840 [0,2,0,0,0,0|2,0,0]=4 7058 B16R0.221 C=CC(=O)CCCCCCCCCCCCO 1458a_100000185746_100009813331 [0,2,0,0,0,0|1,0,0]=3 7059 B16R0.221 C=CC(=O)CCCCCCOCCCCCO 1458a_100000185746_200132310570 [0,2,0,0,0,0|1,0,0]=3 7060 B16R0.221 C=CC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000185746 [0,2,0,0,0,0|2,0,0]=4 7061 B16R0.221 C=CC(=O)NCCCCCCCCCCCC 240690a_100000210451_200121576911 [0,2,0,0,0,0|2,0,0]=4 7062 B16R0.221 C=CC(=O)NCCCCOCCCCCCO 34a_100014118770_100000766143 [0,2,0,0,0,0|2,0,0]=4 7063 B16R0.221 C=CC(=O)NCCNCCCCCCCCO 2230a_114873766552_100000033203 [0,2,0,0,0,0|2,0,0]=4 7064 B16R0.221 C=CC(=O)NCCOCCCCCCCCO 34a_100011304386_100000033203 [0,2,0,0,0,0|2,0,0]=4 7065 B16R0.221 C=CC(=O)OCCCCCCNCCCCO 2230a_100000750430_100009894100 [0,2,0,0,0,0|2,0,0]=4 7066 B16R0.221 C=CC(=O)OCCCCCCNCCCCO 34a_100000750430_100009894100 [0,2,0,0,0,0|2,0,0]=4 7067 B16R0.221 C=CC(=O)OCCCCCCSCCCCO 62a_100000210776_100009894100 [0,2,0,0,0,0|2,0,0]=4 7068 B16R0.221 C=CC(=O)OCCCCCCSCCCCO 62a_100009894100_100000210776 [0,2,0,0,0,0|2,0,0]=4 7069 B16R0.221 C=CC(=O)OCCCCCOCCCCCO 7a_200011023508_100000746330 [0,2,0,0,0,0|2,0,0]=4 7070 B16R0.221 C=CC(=O)OCCNCCCCCCCCO 2230a_102515433106_100009813456 [0,2,0,0,0,0|2,0,0]=4 7071 B16R0.221 C=CC(=O)OCCNCCCCCCCCO 34a_102515433106_100009813456 [0,2,0,0,0,0|2,0,0]=4 7072 B16R0.221 C=CC(=O)OCCSCCCCCCCCO 62a_100000033203_100009813456 [0,2,0,0,0,0|2,0,0]=4 7073 B16R0.221 C=CC(=O)OCCSCCCCCCCCO 62a_100009813456_100000033203 [0,2,0,0,0,0|2,0,0]=4 7074 B16R0.221 C=CC(O)CNCCCCCCCCCCO 2230a_100000066964_100000730141 [0,2,0,0,0,0|1,0,1]=4 7075 B16R0.221 C=CC(O)CNCCCCCCCCCCO 34a_100000066964_100000730141 [0,2,0,0,0,0|1,0,1]=4 7076 B16R0.221 C=CC(O)CSCCCCCCCCCCO 62a_100000730141_200000033068 [0,2,0,0,0,0|1,0,1]=4 7077 B16R0.221 C=CC(O)CSCCCCCCCCCCO 62a_100009813290_100000730141 [0,2,0,0,0,0|1,0,1]=4 7078 B16R0.221 C=CCCCCCCCCCCCC(=O)CO 1458a_100000210174_102130925996 [0,2,0,0,0,0|1,0,0]=3 7079 B16R0.221 C=CCCCCCCCCCNCC(=O)OC 2230a_100000081888_100000747449 [0,2,0,0,0,0|1,0,1]=4 7080 B16R0.221 C=CCCCCCCCCCNCC(=O)OC 34a_100000081888_100000747449 [0,2,0,0,0,0|1,0,1]=4 7081 B16R0.221 C=CCCCCCCCCCOCC(=O)OC 34a_100000038209_100000747449 [0,2,0,0,0,0|1,0,1]=4 7082 B16R0.221 C=CCCCCCCCCCOCC(=O)OC 7a_100000038209_100000747449 [0,2,0,0,0,0|1,0,1]=4 7083 B16R0.221 C=CCCCCCCCCCSCC(=O)OC 62a_100000747449_100009814027 [0,2,0,0,0,0|1,0,1]=4 7084 B16R0.221 C=CCCCCCCCCCSCC(=O)OC 62a_100009814027_100000747449 [0,2,0,0,0,0|1,0,1]=4 7085 B16R0.221 C=CCCCCCCCCOCCC(=O)OC 34a_100011215194_100000742370 [0,2,0,0,0,0|1,0,1]=4 7086 B16R0.221 C=CCCCCCCCCOCCC(=O)OC 7a_100011215194_100000204255 [0,2,0,0,0,0|1,0,1]=4 7087 B16R0.221 C=CCCCCCCCCSCCC(=O)OC 62a_100000204255_100011933949 [0,2,0,0,0,0|1,0,1]=4 7088 B16R0.221 C=CCCCCCCCCSCCC(=O)OC 62a_100011933949_100000204255 [0,2,0,0,0,0|1,0,1]=4 7089 B16R0.221 C=CCCCCCCCOCCCC(=O)OC 34a_100000730831_100000742333 [0,2,0,0,0,0|1,0,1]=4 7090 B16R0.221 C=CCCCCCCCOCCCC(=O)OC 7a_100000730831_100011218270 [0,2,0,0,0,0|1,0,1]=4 7091 B16R0.221 C=CCCCCCCCSCCCC(=O)OC 62a_100011218270_100012355270 [0,2,0,0,0,0|1,0,1]=4 7092 B16R0.221 C=CCCCCCCCSCCCC(=O)OC 62a_100012355270_100011218270 [0,2,0,0,0,0|1,0,1]=4 7093 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 34a_100000059025_100011215473 [0,2,0,0,0,0|1,0,1]=4 7094 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 34a_200011216477_100000204269 [0,2,0,0,0,0|1,0,1]=4 7095 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 7a_100000059025_100011215473 [0,2,0,0,0,0|1,0,1]=4 7096 B16R0.221 C=CCCCCCCOCCCCC(=O)OC 7a_200011216477_100000204269 [0,2,0,0,0,0|1,0,1]=4 7097 B16R0.221 C=CCCCCCCSCCCCC(=O)OC 62a_100000204269_100011215473 [0,2,0,0,0,0|1,0,1]=4 7098 B16R0.221 C=CCCCCCCSCCCCC(=O)OC 62a_100011215473_100000204269 [0,2,0,0,0,0|1,0,1]=4 7099 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000700193 [0,2,0,0,0,0|1,0,1]=4 7100 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 34a_100011216702_100009816466 [0,2,0,0,0,0|1,0,1]=4 7101 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000700193 [0,2,0,0,0,0|1,0,1]=4 7102 B16R0.221 C=CCCCCCOCCCCCC(=O)OC 7a_100011216702_100009816466 [0,2,0,0,0,0|1,0,1]=4 7103 B16R0.221 C=CCCCCCSCCCCCC(=O)OC 62a_100000700193_100009816466 [0,2,0,0,0,0|1,0,1]=4 7104 B16R0.221 C=CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000700193 [0,2,0,0,0,0|1,0,1]=4 7105 B16R0.221 C=CCCCCNCCCCCCC(=O)OC 2230a_100000703577_100009815986 [0,2,0,0,0,0|1,0,1]=4 7106 B16R0.221 C=CCCCCNCCCCCCC(=O)OC 34a_100000703577_100009815986 [0,2,0,0,0,0|1,0,1]=4 7107 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 34a_100000766645_100009815986 [0,2,0,0,0,0|1,0,1]=4 7108 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 34a_100009863599_100011215482 [0,2,0,0,0,0|1,0,1]=4 7109 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 7a_100000766645_100009815986 [0,2,0,0,0,0|1,0,1]=4 7110 B16R0.221 C=CCCCCOCCCCCCC(=O)OC 7a_100009863599_100011215482 [0,2,0,0,0,0|1,0,1]=4 7111 B16R0.221 C=CCCCCSCCCCCCC(=O)OC 62a_100009815986_100011215482 [0,2,0,0,0,0|1,0,1]=4 7112 B16R0.221 C=CCCCCSCCCCCCC(=O)OC 62a_100011215482_100009815986 [0,2,0,0,0,0|1,0,1]=4 7113 B16R0.221 C=CCCCNCCCCCCCC(=O)OC 2230a_100000700776_100010004213 [0,2,0,0,0,0|1,0,1]=4 7114 B16R0.221 C=CCCCNCCCCCCCC(=O)OC 34a_100000700776_100010004213 [0,2,0,0,0,0|1,0,1]=4 7115 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 34a_100000758997_100010004213 [0,2,0,0,0,0|1,0,1]=4 7116 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000757094 [0,2,0,0,0,0|1,0,1]=4 7117 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 7a_100000758997_100010004213 [0,2,0,0,0,0|1,0,1]=4 7118 B16R0.221 C=CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000757094 [0,2,0,0,0,0|1,0,1]=4 7119 B16R0.221 C=CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000757094 [0,2,0,0,0,0|1,0,1]=4 7120 B16R0.221 C=CCCCSCCCCCCCC(=O)OC 62a_100011713584_100010004213 [0,2,0,0,0,0|1,0,1]=4 7121 B16R0.221 C=CCCNCCCCCCCCC(=O)OC 2230a_100015191253_100010282707 [0,2,0,0,0,0|1,0,1]=4 7122 B16R0.221 C=CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000754431 [0,2,0,0,0,0|1,0,1]=4 7123 B16R0.221 C=CCCOCCCCCCCCC(=O)OC 34a_100011205117_100010282707 [0,2,0,0,0,0|1,0,1]=4 7124 B16R0.221 C=CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000754431 [0,2,0,0,0,0|1,0,1]=4 7125 B16R0.221 C=CCCSCCCCCCCCC(=O)OC 62a_100000754431_100010282707 [0,2,0,0,0,0|1,0,1]=4 7126 B16R0.221 C=CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000754431 [0,2,0,0,0,0|1,0,1]=4 7127 B16R0.221 C=CCNCCCCCCCCCC(=O)OC 2230a_100020586998_100009813843 [0,2,0,0,0,0|1,0,1]=4 7128 B16R0.221 C=CCOCCCCCCCCCC(=O)OC 34a_200000210373_100009813843 [0,2,0,0,0,0|1,0,1]=4 7129 B16R0.221 C=CCSCCCCCCCCCC(=O)OC 62a_100000210623_100009813843 [0,2,0,0,0,0|1,0,1]=4 7130 B16R0.221 CC(CO)CCNCCCCCCCCCO 2230a_106354213184_100009813782 [0,2,0,0,0,0|1,0,1]=4 7131 B16R0.221 CC(CO)CCNCCCCCCCCCO 34a_106354213184_100009813782 [0,2,0,0,0,0|1,0,1]=4 7132 B16R0.221 CC(CO)CNCCCCCCCCCCO 34a_100000744482_100009813290 [0,2,0,0,0,0|1,0,1]=4 7133 B16R0.221 CCC(=O)CCCCCCCCCCCCO 1458a_100000210414_100009813331 [0,2,0,0,0,0|1,0,0]=3 7134 B16R0.221 CCC(=O)CCCCCCOCCCCCO 1458a_100000210414_200132310570 [0,2,0,0,0,0|1,0,0]=3 7135 B16R0.221 CCC(=O)COCCCCCCCCCCBr 7a_100009813290_100000747405 [0,2,0,0,0,0|2,0,0]=4 7136 B16R0.221 CCC(=O)COCCCCCCCCCCCl 7a_200000033068_100000747405 [0,2,0,0,0,0|2,0,0]=4 7137 B16R0.221 CCC(=O)COCCCCCCCCCCO 34a_100000725409_100009813290 [0,2,0,0,0,0|1,0,0]=3 7138 B16R0.221 CCC(=O)CSCCCCCCCCCCO 62a_100000747405_200000033068 [0,2,0,0,0,0|1,0,0]=3 7139 B16R0.221 CCC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747405 [0,2,0,0,0,0|1,0,0]=3 7140 B16R0.221 CCC(=O)NCCNCCCCCCCCO 34a_100132302217_100000033203 [0,2,0,0,0,0|2,0,0]=4 7141 B16R0.221 CCC(=O)NCCOCCCCCCCCO 34a_200000158885_100000033203 [0,2,0,0,0,0|2,0,0]=4 7142 B16R0.221 CCC(=O)NCCOCCCCCCCCO 7a_200000158885_100000033203 [0,2,0,0,0,0|2,0,0]=4 7143 B16R0.221 CCC(=O)OCCOCCCCCCCCO 7a_200000031056_100000033203 [0,2,0,0,0,0|2,0,0]=4 7144 B16R0.221 CCC(O)CNCCCCCCCCCCO 2230a_100000066964_100011218378 [0,2,0,0,0,0|1,0,1]=4 7145 B16R0.221 CCC(O)CNCCCCCCCCCCO 2230a_100011218483_100009813290 [0,2,0,0,0,0|1,0,1]=4 7146 B16R0.221 CCC(O)CNCCCCCCCCCCO 34a_100000066964_100011218378 [0,2,0,0,0,0|1,0,1]=4 7147 B16R0.221 CCC(O)CSCCCCCCCCCCO 62a_100009813290_100011218378 [0,2,0,0,0,0|1,0,1]=4 7148 B16R0.221 CCC(O)CSCCCCCCCCCCO 62a_100011218378_200000033068 [0,2,0,0,0,0|1,0,1]=4 7149 B16R0.221 CCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000210684 [0,2,0,0,0,0|1,0,0]=3 7150 B16R0.221 CCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000756256 [0,2,0,0,0,0|2,0,0]=4 7151 B16R0.221 CCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000756256 [0,2,0,0,0,0|2,0,0]=4 7152 B16R0.221 CCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000756256 [0,2,0,0,0,0|2,0,0]=4 7153 B16R0.221 CCCCCCCCCCCCNC(=O)CC 11a_100000210451_100000210414 [0,2,0,0,0,0|2,0,0]=4 7154 B16R0.221 CCCCCCCCCCCCNC(=O)CC 1626a_100000210451_100000210414 [0,2,0,0,0,0|2,0,0]=4 7155 B16R0.221 CCCCCCCCCCCCNC(=O)CC 240690a_100000210451_100000210414 [0,2,0,0,0,0|2,0,0]=4 7156 B16R0.221 CCCCCCCCCCCCNC(=O)CC 527a_100000210451_100000210414 [0,2,0,0,0,0|2,0,0]=4 7157 B16R0.221 CCCCCCCCCCCCNC(=O)CO 240690a_100000210451_100000210174 [0,2,0,0,0,0|1,0,0]=3 7158 B16R0.221 CCCCCCCCCCCCNC(=O)CO 527a_100000210451_100000210174 [0,2,0,0,0,0|1,0,0]=3 7159 B16R0.221 CCCCCCCCCCCCNC(=O)NC 2708a_100000210451_106832991635 [0,2,0,0,0,0|2,0,0]=4 7160 B16R0.221 CCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100000210451 [0,2,0,0,0,0|2,0,0]=4 7161 B16R0.221 CCCCCCCCCCCCNC(=O)NC 273464a_100000210451_100102657272 [0,2,0,0,0,0|2,0,0]=4 7162 B16R0.221 CCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100000210451 [0,2,0,0,0,0|2,0,0]=4 7163 B16R0.221 CCCCCCCCCCCCNC(=O)NC 512a_100000210451_100102657272 [0,2,0,0,0,0|2,0,0]=4 7164 B16R0.221 CCCCCCCCCCCCNC(=O)NC 512a_106832991638_100000210451 [0,2,0,0,0,0|2,0,0]=4 7165 B16R0.221 CCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100011215454 [0,2,0,0,0,0|2,0,0]=4 7166 B16R0.221 CCCCCCCCCCCNCC(=O)NC 2230a_200011215754_100000183359 [0,2,0,0,0,0|2,0,0]=4 7167 B16R0.221 CCCCCCCCCCCNCC(=O)NC 34a_200011215754_100000183359 [0,2,0,0,0,0|2,0,0]=4 7168 B16R0.221 CCCCCCCCCCCNCC(=O)OC 2230a_200011215754_100000747449 [0,2,0,0,0,0|1,0,0]=3 7169 B16R0.221 CCCCCCCCCCCNCC(=O)OC 34a_200011215754_100000747449 [0,2,0,0,0,0|1,0,0]=3 7170 B16R0.221 CCCCCCCCCCCOCC(=O)CC 34a_100000725409_100011215454 [0,2,0,0,0,0|2,0,0]=4 7171 B16R0.221 CCCCCCCCCCCOCC(=O)CC 7a_100000210809_100000747405 [0,2,0,0,0,0|2,0,0]=4 7172 B16R0.221 CCCCCCCCCCCOCC(=O)NC 34a_100000210809_100000183359 [0,2,0,0,0,0|2,0,0]=4 7173 B16R0.221 CCCCCCCCCCCOCC(=O)NC 34a_100000750040_100011215454 [0,2,0,0,0,0|2,0,0]=4 7174 B16R0.221 CCCCCCCCCCCOCC(=O)NC 7a_100000210809_100000183359 [0,2,0,0,0,0|2,0,0]=4 7175 B16R0.221 CCCCCCCCCCCOCC(=O)OC 34a_100000210809_100000747449 [0,2,0,0,0,0|1,0,0]=3 7176 B16R0.221 CCCCCCCCCCCOCC(=O)OC 7a_100000210809_100000747449 [0,2,0,0,0,0|1,0,0]=3 7177 B16R0.221 CCCCCCCCCCCSCC(=O)NC 62a_100000183359_100011215454 [0,2,0,0,0,0|2,0,0]=4 7178 B16R0.221 CCCCCCCCCCCSCC(=O)OC 62a_100000747449_100011215454 [0,2,0,0,0,0|1,0,0]=3 7179 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000684558_100000737683 [0,2,0,0,0,0|2,0,0]=4 7180 B16R0.221 CCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210320 [0,2,0,0,0,0|2,0,0]=4 7181 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000684558_100012179268 [0,2,0,0,0,0|2,0,0]=4 7182 B16R0.221 CCCCCCCCCCNCCC(=O)NC 34a_100000738227_100000210320 [0,2,0,0,0,0|2,0,0]=4 7183 B16R0.221 CCCCCCCCCCNCCC(=O)OC 2230a_100000684558_100000204255 [0,2,0,0,0,0|1,0,0]=3 7184 B16R0.221 CCCCCCCCCCNCCC(=O)OC 34a_100000684558_100000742370 [0,2,0,0,0,0|1,0,0]=3 7185 B16R0.221 CCCCCCCCCCOCCC(=NO)N 34a_100000749954_100000210320 [0,2,0,0,0,0|2,0,0]=4 7186 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000210711_100012179268 [0,2,0,0,0,0|2,0,0]=4 7187 B16R0.221 CCCCCCCCCCOCCC(=O)NC 34a_100000754576_100000210320 [0,2,0,0,0,0|2,0,0]=4 7188 B16R0.221 CCCCCCCCCCOCCC(=O)NC 7a_100000210711_100000737683 [0,2,0,0,0,0|2,0,0]=4 7189 B16R0.221 CCCCCCCCCCOCCC(=O)OC 34a_100000210711_100000742370 [0,2,0,0,0,0|1,0,0]=3 7190 B16R0.221 CCCCCCCCCCOCCC(=O)OC 7a_100000210711_100000204255 [0,2,0,0,0,0|1,0,0]=3 7191 B16R0.221 CCCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210320 [0,2,0,0,0,0|2,0,0]=4 7192 B16R0.221 CCCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210320 [0,2,0,0,0,0|1,0,0]=3 7193 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000212291_100000741757 [0,2,0,0,0,0|2,0,0]=4 7194 B16R0.221 CCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011214924 [0,2,0,0,0,0|2,0,0]=4 7195 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000212291_100000741757 [0,2,0,0,0,0|2,0,0]=4 7196 B16R0.221 CCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011214924 [0,2,0,0,0,0|2,0,0]=4 7197 B16R0.221 CCCCCCCCCNCCCC(=O)OC 2230a_100000212291_100011218270 [0,2,0,0,0,0|1,0,0]=3 7198 B16R0.221 CCCCCCCCCNCCCC(=O)OC 34a_100000212291_100000742333 [0,2,0,0,0,0|1,0,0]=3 7199 B16R0.221 CCCCCCCCCOCCCC(=O)NC 34a_100000210712_100000741757 [0,2,0,0,0,0|2,0,0]=4 7200 B16R0.221 CCCCCCCCCOCCCC(=O)NC 7a_100000210712_100000741757 [0,2,0,0,0,0|2,0,0]=4 7201 B16R0.221 CCCCCCCCCOCCCC(=O)NN 34a_100000211488_100011214924 [0,2,0,0,0,0|2,0,0]=4 7202 B16R0.221 CCCCCCCCCOCCCC(=O)OC 34a_100000210712_100000742333 [0,2,0,0,0,0|1,0,0]=3 7203 B16R0.221 CCCCCCCCCOCCCC(=O)OC 7a_100000210712_100011218270 [0,2,0,0,0,0|1,0,0]=3 7204 B16R0.221 CCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011214924 [0,2,0,0,0,0|2,0,0]=4 7205 B16R0.221 CCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011214924 [0,2,0,0,0,0|2,0,0]=4 7206 B16R0.221 CCCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210670 [0,2,0,0,0,0|2,0,0]=4 7207 B16R0.221 CCCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210670 [0,2,0,0,0,0|1,0,0]=3 7208 B16R0.221 CCCCCCCCNCCCCC(=O)OC 2230a_100000229939_100000204269 [0,2,0,0,0,0|1,0,0]=3 7209 B16R0.221 CCCCCCCCNCCCCC(=O)OC 34a_100000229939_100000204269 [0,2,0,0,0,0|1,0,0]=3 7210 B16R0.221 CCCCCCCCNCCOCC(=O)OC 2230a_100000229939_100000090808 [0,2,0,0,0,0|2,0,0]=4 7211 B16R0.221 CCCCCCCCNCCOCC(=O)OC 34a_100000229939_100000090808 [0,2,0,0,0,0|2,0,0]=4 7212 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210759 [0,2,0,0,0,0|1,0,0]=3 7213 B16R0.221 CCCCCCCCOCCCCC(=O)OC 34a_100000210232_100000204269 [0,2,0,0,0,0|1,0,0]=3 7214 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210759 [0,2,0,0,0,0|1,0,0]=3 7215 B16R0.221 CCCCCCCCOCCCCC(=O)OC 7a_100000210232_100000204269 [0,2,0,0,0,0|1,0,0]=3 7216 B16R0.221 CCCCCCCCOCCOCC(=O)OC 34a_100000210232_100000090808 [0,2,0,0,0,0|2,0,0]=4 7217 B16R0.221 CCCCCCCCOCCOCC(=O)OC 7a_100000210232_100000090808 [0,2,0,0,0,0|2,0,0]=4 7218 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210317 [0,2,0,0,0,0|1,0,0]=3 7219 B16R0.221 CCCCCCCCSCCCCC(=O)OC 62a_100000210759_100000204269 [0,2,0,0,0,0|1,0,0]=3 7220 B16R0.221 CCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210317 [0,2,0,0,0,0|2,0,0]=4 7221 B16R0.221 CCCCCCCCSCCOCC(=O)OC 62a_100000210759_100000090808 [0,2,0,0,0,0|2,0,0]=4 7222 B16R0.221 CCCCCCCNCCCCCC(=O)OC 2230a_100000229938_100009816466 [0,2,0,0,0,0|1,0,0]=3 7223 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210614 [0,2,0,0,0,0|1,0,0]=3 7224 B16R0.221 CCCCCCCOCCCCCC(=O)OC 34a_100000210272_100009816466 [0,2,0,0,0,0|1,0,0]=3 7225 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210614 [0,2,0,0,0,0|1,0,0]=3 7226 B16R0.221 CCCCCCCOCCCCCC(=O)OC 7a_100000210272_100009816466 [0,2,0,0,0,0|1,0,0]=3 7227 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100000210614_100009816466 [0,2,0,0,0,0|1,0,0]=3 7228 B16R0.221 CCCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210316 [0,2,0,0,0,0|1,0,0]=3 7229 B16R0.221 CCCCCCNCCCCCCC(=O)OC 2230a_100000210581_100009815986 [0,2,0,0,0,0|1,0,0]=3 7230 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100000210259_100009815986 [0,2,0,0,0,0|1,0,0]=3 7231 B16R0.221 CCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210314 [0,2,0,0,0,0|1,0,0]=3 7232 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100000210259_100009815986 [0,2,0,0,0,0|1,0,0]=3 7233 B16R0.221 CCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210314 [0,2,0,0,0,0|1,0,0]=3 7234 B16R0.221 CCCCCCOCCOCCCC(=O)OC 34a_100000691444_100000742333 [0,2,0,0,0,0|2,0,0]=4 7235 B16R0.221 CCCCCCOCCOCCCC(=O)OC 7a_100000691444_100011218270 [0,2,0,0,0,0|2,0,0]=4 7236 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100000210314_100009815986 [0,2,0,0,0,0|1,0,0]=3 7237 B16R0.221 CCCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210757 [0,2,0,0,0,0|1,0,0]=3 7238 B16R0.221 CCCCCNCCCCCCCC(=O)OC 2230a_100000209983_100010004213 [0,2,0,0,0,0|1,0,0]=3 7239 B16R0.221 CCCCCNCCOCCCCC(=O)OC 34a_100000224656_100000204269 [0,2,0,0,0,0|2,0,0]=4 7240 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100000210253_100010004213 [0,2,0,0,0,0|1,0,0]=3 7241 B16R0.221 CCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000718602 [0,2,0,0,0,0|1,0,0]=3 7242 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100000210253_100010004213 [0,2,0,0,0,0|1,0,0]=3 7243 B16R0.221 CCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210326 [0,2,0,0,0,0|1,0,0]=3 7244 B16R0.221 CCCCCOCCOCCCCC(=O)OC 34a_100011215259_100000204269 [0,2,0,0,0,0|2,0,0]=4 7245 B16R0.221 CCCCCOCCOCCCCC(=O)OC 7a_100011215259_100000204269 [0,2,0,0,0,0|2,0,0]=4 7246 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100000210326_100010004213 [0,2,0,0,0,0|1,0,0]=3 7247 B16R0.221 CCCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210326 [0,2,0,0,0,0|1,0,0]=3 7248 B16R0.221 CCCCNCCCCCCCCC(=O)OC 2230a_100000102301_100010282707 [0,2,0,0,0,0|1,0,0]=3 7249 B16R0.221 CCCCNCCCCCCCCC(=O)OC 7a_106832991798_100010282707 [0,2,0,0,0,0|1,0,0]=3 7250 B16R0.221 CCCCNCCCCOCCCC(=O)OC 34a_200011216965_100000742333 [0,2,0,0,0,0|2,0,0]=4 7251 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210210 [0,2,0,0,0,0|1,0,0]=3 7252 B16R0.221 CCCCOCCCCCCCCC(=O)OC 34a_100000210227_100010282707 [0,2,0,0,0,0|1,0,0]=3 7253 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210211 [0,2,0,0,0,0|1,0,0]=3 7254 B16R0.221 CCCCOCCCCCCCCC(=O)OC 7a_100000210227_100010282707 [0,2,0,0,0,0|1,0,0]=3 7255 B16R0.221 CCCCOCCCCOCCCC(=O)OC 34a_200000760531_100000742333 [0,2,0,0,0,0|2,0,0]=4 7256 B16R0.221 CCCCOCCCCOCCCC(=O)OC 7a_200000760531_100011218270 [0,2,0,0,0,0|2,0,0]=4 7257 B16R0.221 CCCCOCCCNCCCCC(=O)OC 2230a_200000211371_100000204269 [0,2,0,0,0,0|2,0,0]=4 7258 B16R0.221 CCCCOCCCNCCCCC(=O)OC 34a_200000211371_100000204269 [0,2,0,0,0,0|2,0,0]=4 7259 B16R0.221 CCCCOCCCOCCCCC(=O)OC 34a_200011215613_100000204269 [0,2,0,0,0,0|2,0,0]=4 7260 B16R0.221 CCCCOCCCOCCCCC(=O)OC 7a_200011215613_100000204269 [0,2,0,0,0,0|2,0,0]=4 7261 B16R0.221 CCCCOCCOCCCCCC(=O)OC 34a_100000074720_100000743108 [0,2,0,0,0,0|2,0,0]=4 7262 B16R0.221 CCCCOCCOCCCCCC(=O)OC 34a_100000210238_100009816466 [0,2,0,0,0,0|2,0,0]=4 7263 B16R0.221 CCCCOCCOCCCCCC(=O)OC 7a_100000074720_100000743108 [0,2,0,0,0,0|2,0,0]=4 7264 B16R0.221 CCCCOCCOCCCCCC(=O)OC 7a_100000210238_100009816466 [0,2,0,0,0,0|2,0,0]=4 7265 B16R0.221 CCCCOCCSCCCCCC(=O)OC 62a_100000743108_100009816466 [0,2,0,0,0,0|2,0,0]=4 7266 B16R0.221 CCCCOCCSCCCCCC(=O)OC 62a_100009816466_100000743108 [0,2,0,0,0,0|2,0,0]=4 7267 B16R0.221 CCCCOCOCCCCCCC(=O)OC 34a_100009863599_100011995733 [0,2,0,0,0,0|2,0,0]=4 7268 B16R0.221 CCCCOCSCCCCCCC(=O)OC 62a_100009815986_100011995733 [0,2,0,0,0,0|2,0,0]=4 7269 B16R0.221 CCCCOCSCCCCCCC(=O)OC 62a_100011995733_100009815986 [0,2,0,0,0,0|2,0,0]=4 7270 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100000210211_100010282707 [0,2,0,0,0,0|1,0,0]=3 7271 B16R0.221 CCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210210 [0,2,0,0,0,0|1,0,0]=3 7272 B16R0.221 CCCCSCCNCCCCCC(=O)OC 2230a_100025743550_100009816466 [0,2,0,0,0,0|2,0,0]=4 7273 B16R0.221 CCCCSCCOCCCCCC(=O)OC 34a_200000230436_100009816466 [0,2,0,0,0,0|2,0,0]=4 7274 B16R0.221 CCCCSCCOCCCCCC(=O)OC 7a_200000230436_100009816466 [0,2,0,0,0,0|2,0,0]=4 7275 B16R0.221 CCCOCCCCCCCCCC(=O)OC 34a_100000210258_100009813843 [0,2,0,0,0,0|1,0,0]=3 7276 B16R0.221 CCCOCCCNCCCCCC(=O)OC 2230a_100011217757_100009816466 [0,2,0,0,0,0|2,0,0]=4 7277 B16R0.221 CCCOCCCNCCCCCC(=O)OC 34a_100011217757_100009816466 [0,2,0,0,0,0|2,0,0]=4 7278 B16R0.221 CCCOCCNCCCCCCC(=O)OC 2230a_100161115042_100009815986 [0,2,0,0,0,0|2,0,0]=4 7279 B16R0.221 CCCOCCNCCCCCCC(=O)OC 34a_100161115042_100009815986 [0,2,0,0,0,0|2,0,0]=4 7280 B16R0.221 CCCOCCOCCCCCCC(=O)OC 34a_100000752267_100009815986 [0,2,0,0,0,0|2,0,0]=4 7281 B16R0.221 CCCOCCOCCCCCCC(=O)OC 34a_100009863599_100011215938 [0,2,0,0,0,0|2,0,0]=4 7282 B16R0.221 CCCOCCOCCCCCCC(=O)OC 7a_100000752267_100009815986 [0,2,0,0,0,0|2,0,0]=4 7283 B16R0.221 CCCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215938 [0,2,0,0,0,0|2,0,0]=4 7284 B16R0.221 CCCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215938 [0,2,0,0,0,0|2,0,0]=4 7285 B16R0.221 CCCOCCSCCCCCCC(=O)OC 62a_100011215938_100009815986 [0,2,0,0,0,0|2,0,0]=4 7286 B16R0.221 CCCSCCCCCCCCCC(=O)OC 62a_100000210303_100009813843 [0,2,0,0,0,0|1,0,0]=3 7287 B16R0.221 CCCSCCNCCCCCCC(=O)OC 2230a_100020603323_100009815986 [0,2,0,0,0,0|2,0,0]=4 7288 B16R0.221 CCCSCCOCCCCCCC(=O)OC 34a_200000230433_100009815986 [0,2,0,0,0,0|2,0,0]=4 7289 B16R0.221 CCCSCCOCCCCCCC(=O)OC 7a_200000230433_100009815986 [0,2,0,0,0,0|2,0,0]=4 7290 B16R0.221 CCNCCCCCCCCCCC(=O)OC 2230a_100015525214_100009812566 [0,2,0,0,0,0|1,0,0]=3 7291 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210202 [0,2,0,0,0,0|1,0,0]=3 7292 B16R0.221 CCOCCCCCCCCCCC(=O)OC 34a_100121572206_100009812566 [0,2,0,0,0,0|1,0,0]=3 7293 B16R0.221 CCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210202 [0,2,0,0,0,0|1,0,0]=3 7294 B16R0.221 CCOCCCNCCCCCCC(=O)OC 2230a_100000210961_100009815986 [0,2,0,0,0,0|2,0,0]=4 7295 B16R0.221 CCOCCCNCCCCCCC(=O)OC 34a_100000210961_100009815986 [0,2,0,0,0,0|2,0,0]=4 7296 B16R0.221 CCOCCCOCCCCCCC(=O)OC 34a_100000757476_100009815986 [0,2,0,0,0,0|2,0,0]=4 7297 B16R0.221 CCOCCCOCCCCCCC(=O)OC 34a_100009863599_100012232248 [0,2,0,0,0,0|2,0,0]=4 7298 B16R0.221 CCOCCCOCCCCCCC(=O)OC 7a_100000757476_100009815986 [0,2,0,0,0,0|2,0,0]=4 7299 B16R0.221 CCOCCCOCCCCCCC(=O)OC 7a_100009863599_100012232248 [0,2,0,0,0,0|2,0,0]=4 7300 B16R0.221 CCOCCCSCCCCCCC(=O)OC 62a_100009815986_100012232248 [0,2,0,0,0,0|2,0,0]=4 7301 B16R0.221 CCOCCCSCCCCCCC(=O)OC 62a_100012232248_100009815986 [0,2,0,0,0,0|2,0,0]=4 7302 B16R0.221 CCOCCNCCCCCCCC(=O)OC 2230a_102516460346_100010004213 [0,2,0,0,0,0|2,0,0]=4 7303 B16R0.221 CCOCCNCCCCCCCC(=O)OC 34a_102516460346_100010004213 [0,2,0,0,0,0|2,0,0]=4 7304 B16R0.221 CCOCCOCCCCCCCC(=O)OC 34a_100000210136_100010004213 [0,2,0,0,0,0|2,0,0]=4 7305 B16R0.221 CCOCCOCCCCCCCC(=O)OC 34a_100011022521_100000210147 [0,2,0,0,0,0|2,0,0]=4 7306 B16R0.221 CCOCCOCCCCCCCC(=O)OC 7a_100000210136_100010004213 [0,2,0,0,0,0|2,0,0]=4 7307 B16R0.221 CCOCCOCCCCCCCC(=O)OC 7a_100011022521_100011215890 [0,2,0,0,0,0|2,0,0]=4 7308 B16R0.221 CCOCCSCCCCCCCC(=O)OC 62a_100000210147_100010004213 [0,2,0,0,0,0|2,0,0]=4 7309 B16R0.221 CCOCCSCCCCCCCC(=O)OC 62a_100010004213_100011215890 [0,2,0,0,0,0|2,0,0]=4 7310 B16R0.221 CCOCSCCCCCCCCC(=O)OC 62a_100000739092_100010282707 [0,2,0,0,0,0|2,0,0]=4 7311 B16R0.221 CCOCSCCCCCCCCC(=O)OC 62a_100010282707_100000739092 [0,2,0,0,0,0|2,0,0]=4 7312 B16R0.221 CCSCCCCCCCCCCC(=O)OC 62a_100000210202_100009812566 [0,2,0,0,0,0|1,0,0]=3 7313 B16R0.221 CCSCCCOCCCCCCC(=O)OC 34a_100011216438_100009815986 [0,2,0,0,0,0|2,0,0]=4 7314 B16R0.221 CCSCCCOCCCCCCC(=O)OC 7a_100011216438_100009815986 [0,2,0,0,0,0|2,0,0]=4 7315 B16R0.221 CCSCCNCCCCCCCC(=O)OC 2230a_100000106463_100010004213 [0,2,0,0,0,0|2,0,0]=4 7316 B16R0.221 CCSCCOCCCCCCCC(=O)OC 34a_100000212035_100010004213 [0,2,0,0,0,0|2,0,0]=4 7317 B16R0.221 CCSCCOCCCCCCCC(=O)OC 34a_100011022521_100000757381 [0,2,0,0,0,0|2,0,0]=4 7318 B16R0.221 CCSCCOCCCCCCCC(=O)OC 7a_100000212035_100010004213 [0,2,0,0,0,0|2,0,0]=4 7319 B16R0.221 CCSCCOCCCCCCCC(=O)OC 7a_100011022521_100000757381 [0,2,0,0,0,0|2,0,0]=4 7320 B16R0.221 CCSCCSCCCCCCCC(=O)OC 62a_100000757381_100010004213 [0,2,0,0,0,0|2,0,0]=4 7321 B16R0.221 CCSCCSCCCCCCCC(=O)OC 62a_100010004213_100000757381 [0,2,0,0,0,0|2,0,0]=4 7322 B16R0.221 CNC(=O)CCCCCCCCCCCCO 240690a_100102657272_100102582631 [0,2,0,0,0,0|1,0,0]=3 7323 B16R0.221 CNC(=O)CCCNCCCCCCCCO 2230a_100000740002_100000033203 [0,2,0,0,0,0|1,0,0]=3 7324 B16R0.221 CNC(=O)CCCNCCCCCCCCO 2230a_102515433106_100000741757 [0,2,0,0,0,0|1,0,0]=3 7325 B16R0.221 CNC(=O)CCCNCCCCCCCCO 34a_100000740002_100000033203 [0,2,0,0,0,0|1,0,0]=3 7326 B16R0.221 CNC(=O)CCCNCCCCCCCCO 34a_102515433106_100000741757 [0,2,0,0,0,0|1,0,0]=3 7327 B16R0.221 CNC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000741757 [0,2,0,0,0,0|2,0,0]=4 7328 B16R0.221 CNC(=O)CCCOCCCCCCCCBr 7a_100009813846_100000741757 [0,2,0,0,0,0|2,0,0]=4 7329 B16R0.221 CNC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000741757 [0,2,0,0,0,0|2,0,0]=4 7330 B16R0.221 CNC(=O)CCCOCCCCCCCCCl 7a_100000033203_100000741757 [0,2,0,0,0,0|2,0,0]=4 7331 B16R0.221 CNC(=O)CCCOCCCCCCCCN 34a_102515433106_100000741757 [0,2,0,0,0,0|2,0,0]=4 7332 B16R0.221 CNC(=O)CCCSCCCCCCCCO 62a_100000033203_100000741757 [0,2,0,0,0,0|1,0,0]=3 7333 B16R0.221 CNC(=O)CCCSCCCCCCCCO 62a_100000741757_100000033203 [0,2,0,0,0,0|1,0,0]=3 7334 B16R0.221 CNC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000737683 [0,2,0,0,0,0|1,0,0]=3 7335 B16R0.221 CNC(=O)CCNCCCCCCCCCO 2230a_100000738227_100009813782 [0,2,0,0,0,0|1,0,0]=3 7336 B16R0.221 CNC(=O)CCNCCCCCCCCCO 34a_100000078944_100012179268 [0,2,0,0,0,0|1,0,0]=3 7337 B16R0.221 CNC(=O)CCNCCCCCCCCCO 34a_100000738227_100009813782 [0,2,0,0,0,0|1,0,0]=3 7338 B16R0.221 CNC(=O)CCOCCCCCCCCCBr 34a_100009813782_100012179268 [0,2,0,0,0,0|2,0,0]=4 7339 B16R0.221 CNC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000737683 [0,2,0,0,0,0|2,0,0]=4 7340 B16R0.221 CNC(=O)CCOCCCCCCCCCCl 34a_100009868337_100012179268 [0,2,0,0,0,0|2,0,0]=4 7341 B16R0.221 CNC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000737683 [0,2,0,0,0,0|2,0,0]=4 7342 B16R0.221 CNC(=O)CCOCCCCCCCCCN 34a_100000078944_100012179268 [0,2,0,0,0,0|2,0,0]=4 7343 B16R0.221 CNC(=O)CCOCCCCCCCCCO 34a_100000754576_100009813782 [0,2,0,0,0,0|1,0,0]=3 7344 B16R0.221 CNC(=O)CCSCCCCCCCCCO 62a_100000737683_100009813782 [0,2,0,0,0,0|1,0,0]=3 7345 B16R0.221 CNC(=O)CCSCCCCCCCCCO 62a_100009813782_100000737683 [0,2,0,0,0,0|1,0,0]=3 7346 B16R0.221 CNC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000183359 [0,2,0,0,0,0|1,0,0]=3 7347 B16R0.221 CNC(=O)CNCCCCCCCCCCO 2230a_100000693194_100009813290 [0,2,0,0,0,0|1,0,0]=3 7348 B16R0.221 CNC(=O)CNCCCCCCCCCCO 34a_100000066964_100000183359 [0,2,0,0,0,0|1,0,0]=3 7349 B16R0.221 CNC(=O)COCCCCCCCCCCBr 34a_100009813290_100000183359 [0,2,0,0,0,0|2,0,0]=4 7350 B16R0.221 CNC(=O)COCCCCCCCCCCBr 7a_100009813290_100000183359 [0,2,0,0,0,0|2,0,0]=4 7351 B16R0.221 CNC(=O)COCCCCCCCCCCCl 34a_200000033068_100000183359 [0,2,0,0,0,0|2,0,0]=4 7352 B16R0.221 CNC(=O)COCCCCCCCCCCCl 7a_200000033068_100000183359 [0,2,0,0,0,0|2,0,0]=4 7353 B16R0.221 CNC(=O)COCCCCCCCCCCN 34a_100000066964_100000183359 [0,2,0,0,0,0|2,0,0]=4 7354 B16R0.221 CNC(=O)COCCCCCCCCCCO 34a_100000750040_100009813290 [0,2,0,0,0,0|1,0,0]=3 7355 B16R0.221 CNC(=O)CSCCCCCCCCCCO 62a_100000183359_200000033068 [0,2,0,0,0,0|1,0,0]=3 7356 B16R0.221 CNC(=O)CSCCCCCCCCCCO 62a_100009813290_100000183359 [0,2,0,0,0,0|1,0,0]=3 7357 B16R0.221 CNC(=O)NCCNCCCCCCCCO 34a_100015205895_100000033203 [0,2,0,0,0,0|2,0,0]=4 7358 B16R0.221 CNC(=O)OCCNCCCCCCCCO 34a_102515433106_200011997002 [0,2,0,0,0,0|2,0,0]=4 7359 B16R0.221 CNC(=O)OCCSCCCCCCCCO 62a_100000033203_200011997002 [0,2,0,0,0,0|2,0,0]=4 7360 B16R0.221 CNC(=O)OCCSCCCCCCCCO 62a_200011997002_100000033203 [0,2,0,0,0,0|2,0,0]=4 7361 B16R0.221 CNCCCCCCCCCCCC(=O)OC 2230a_106832991635_100010983606 [0,2,0,0,0,0|1,0,0]=3 7362 B16R0.221 CNCCCCCCCCCCCC(=O)OC 34a_100102657272_100010983606 [0,2,0,0,0,0|1,0,0]=3 7363 B16R0.221 CNCCCCCCCCCCCC(=O)OC 7a_106832991635_100010983606 [0,2,0,0,0,0|1,0,0]=3 7364 B16R0.221 CNCCCCCOCCCCCC(=O)OC 34a_100000722520_100009816466 [0,2,0,0,0,0|2,0,0]=4 7365 B16R0.221 CNCCCOCCCCCCCC(=O)OC 34a_100000213112_100010004213 [0,2,0,0,0,0|2,0,0]=4 7366 B16R0.221 COC(=O)/C=C/CNCCCCCCCCO 2230a_102515433106_100000742655 [0,2,0,0,0,0|0,0,2]=4 7367 B16R0.221 COC(=O)/C=C/CNCCCCCCCCO 34a_102515433106_100000742655 [0,2,0,0,0,0|0,0,2]=4 7368 B16R0.221 COC(=O)/C=C/CSCCCCCCCCO 62a_100000033203_100000742655 [0,2,0,0,0,0|0,0,2]=4 7369 B16R0.221 COC(=O)/C=C/CSCCCCCCCCO 62a_100000742655_100000033203 [0,2,0,0,0,0|0,0,2]=4 7370 B16R0.221 COC(=O)CCCCCCCCCCCSC 62a_200000210301_100010983606 [0,2,0,0,0,0|0,1,0]=3 7371 B16R0.221 COC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100010983606 [0,2,0,0,0,0|0,1,0]=3 7372 B16R0.221 COC(=O)CCCCCCCCCCOCF 34a_100011003013_100015361967 [0,2,0,0,0,0|1,0,0]=3 7373 B16R0.221 COC(=O)CCCCCCCCCCOCF 7a_100011003013_100015361967 [0,2,0,0,0,0|1,0,0]=3 7374 B16R0.221 COC(=O)CCCCCCCCCCSCF 62a_100015361967_100009812566 [0,2,0,0,0,0|1,0,0]=3 7375 B16R0.221 COC(=O)CCCCCCCCCNCCF 34a_100000724931_100009813843 [0,2,0,0,0,0|1,0,0]=3 7376 B16R0.221 COC(=O)CCCCCCCCCNCCO 2230a_100016997473_100009813843 [0,2,0,0,0,0|0,0,0]=2 7377 B16R0.221 COC(=O)CCCCCCCCCNCCO 34a_100016990907_100009813843 [0,2,0,0,0,0|0,0,0]=2 7378 B16R0.221 COC(=O)CCCCCCCCCOCCBr 34a_100000211926_100009813843 [0,2,0,0,0,0|1,0,0]=3 7379 B16R0.221 COC(=O)CCCCCCCCCOCCN 34a_100000210304_100009813843 [0,2,0,0,0,0|1,0,0]=3 7380 B16R0.221 COC(=O)CCCCCCCCCSCC#N 62a_100011215382_100009813843 [0,2,0,0,0,0|1,0,1]=4 7381 B16R0.221 COC(=O)CCCCCCCCCSCC=O 62a_200015260668_100009813843 [0,2,0,0,0,0|0,0,2]=4 7382 B16R0.221 COC(=O)CCCCCCCCCSCCF 62a_100011217306_100009813843 [0,2,0,0,0,0|1,0,0]=3 7383 B16R0.221 COC(=O)CCCCCCCCCSCCO 62a_100000211926_100009813843 [0,2,0,0,0,0|0,0,0]=2 7384 B16R0.221 COC(=O)CCCCCCCCCSCSC 62a_100011218213_100009813843 [0,2,0,0,0,0|1,1,0]=4 7385 B16R0.221 COC(=O)CCCCCCCCNCCCF 2230a_100015189416_100010282707 [0,2,0,0,0,0|1,0,0]=3 7386 B16R0.221 COC(=O)CCCCCCCCNCCCF 34a_100015189416_100010282707 [0,2,0,0,0,0|1,0,0]=3 7387 B16R0.221 COC(=O)CCCCCCCCNCCSC 2230a_100020590264_100010282707 [0,2,0,0,0,0|1,1,0]=4 7388 B16R0.221 COC(=O)CCCCCCCCOCCC#N 7a_100000035544_100000184422 [0,2,0,0,0,0|1,0,1]=4 7389 B16R0.221 COC(=O)CCCCCCCCOCCCBr 34a_100011217188_100010282707 [0,2,0,0,0,0|1,0,0]=3 7390 B16R0.221 COC(=O)CCCCCCCCOCCCCl 34a_100000230001_100010282707 [0,2,0,0,0,0|1,0,0]=3 7391 B16R0.221 COC(=O)CCCCCCCCOCCCF 34a_100000035544_100011934791 [0,2,0,0,0,0|1,0,0]=3 7392 B16R0.221 COC(=O)CCCCCCCCOCCCF 34a_100000759539_100010282707 [0,2,0,0,0,0|1,0,0]=3 7393 B16R0.221 COC(=O)CCCCCCCCOCCCF 7a_100000035544_100011934791 [0,2,0,0,0,0|1,0,0]=3 7394 B16R0.221 COC(=O)CCCCCCCCOCCCN 34a_100000182051_100010282707 [0,2,0,0,0,0|1,0,0]=3 7395 B16R0.221 COC(=O)CCCCCCCCOCCCO 34a_100000035544_100000230001 [0,2,0,0,0,0|0,0,0]=2 7396 B16R0.221 COC(=O)CCCCCCCCOCCCO 7a_100000035544_100011215043 [0,2,0,0,0,0|0,0,0]=2 7397 B16R0.221 COC(=O)CCCCCCCCOCCON 34a_100000700252_100010282707 [0,2,0,0,0,0|1,0,0]=3 7398 B16R0.221 COC(=O)CCCCCCCCOCCSC 34a_100000035544_100000212216 [0,2,0,0,0,0|1,1,0]=4 7399 B16R0.221 COC(=O)CCCCCCCCOCCSC 34a_100000230434_100010282707 [0,2,0,0,0,0|1,1,0]=4 7400 B16R0.221 COC(=O)CCCCCCCCOCCSC 7a_100000035544_100000212216 [0,2,0,0,0,0|1,1,0]=4 7401 B16R0.221 COC(=O)CCCCCCCCOCCSC 7a_100000230434_100010282707 [0,2,0,0,0,0|1,1,0]=4 7402 B16R0.221 COC(=O)CCCCCCCCSCCC#N 62a_100010282707_100011215226 [0,2,0,0,0,0|1,0,1]=4 7403 B16R0.221 COC(=O)CCCCCCCCSCCC#N 62a_100011215226_100010282707 [0,2,0,0,0,0|1,0,1]=4 7404 B16R0.221 COC(=O)CCCCCCCCSCCCF 62a_100010282707_100011934791 [0,2,0,0,0,0|1,0,0]=3 7405 B16R0.221 COC(=O)CCCCCCCCSCCCF 62a_100011934791_100010282707 [0,2,0,0,0,0|1,0,0]=3 7406 B16R0.221 COC(=O)CCCCCCCCSCCCO 62a_100010282707_100011215043 [0,2,0,0,0,0|0,0,0]=2 7407 B16R0.221 COC(=O)CCCCCCCCSCCCO 62a_100011215043_100010282707 [0,2,0,0,0,0|0,0,0]=2 7408 B16R0.221 COC(=O)CCCCCCCCSCCSC 62a_100000212216_100010282707 [0,2,0,0,0,0|1,1,0]=4 7409 B16R0.221 COC(=O)CCCCCCCCSCCSC 62a_100010282707_100000751147 [0,2,0,0,0,0|1,1,0]=4 7410 B16R0.221 COC(=O)CCCCCCCNCCCCO 2230a_100000750430_100010004213 [0,2,0,0,0,0|0,0,0]=2 7411 B16R0.221 COC(=O)CCCCCCCNCCCCO 34a_100000750430_100010004213 [0,2,0,0,0,0|0,0,0]=2 7412 B16R0.221 COC(=O)CCCCCCCNCCCSC 2230a_100000749238_100010004213 [0,2,0,0,0,0|1,1,0]=4 7413 B16R0.221 COC(=O)CCCCCCCOCC#CCO 34a_100011022521_200000047223 [0,2,0,0,0,0|0,0,2]=4 7414 B16R0.221 COC(=O)CCCCCCCOCC#CCO 7a_100011022521_200000047223 [0,2,0,0,0,0|0,0,2]=4 7415 B16R0.221 COC(=O)CCCCCCCOCCCC#N 7a_100011022521_100000687738 [0,2,0,0,0,0|1,0,1]=4 7416 B16R0.221 COC(=O)CCCCCCCOCCCC=O 7a_100011022521_200011292268 [0,2,0,0,0,0|0,0,2]=4 7417 B16R0.221 COC(=O)CCCCCCCOCCCCBr 34a_100011216708_100010004213 [0,2,0,0,0,0|1,0,0]=3 7418 B16R0.221 COC(=O)CCCCCCCOCCCCCl 34a_100000210776_100010004213 [0,2,0,0,0,0|1,0,0]=3 7419 B16R0.221 COC(=O)CCCCCCCOCCCCCl 7a_100000210776_100010004213 [0,2,0,0,0,0|1,0,0]=3 7420 B16R0.221 COC(=O)CCCCCCCOCCCCF 34a_100011022521_100000729493 [0,2,0,0,0,0|1,0,0]=3 7421 B16R0.221 COC(=O)CCCCCCCOCCCCF 34a_100011995726_100010004213 [0,2,0,0,0,0|1,0,0]=3 7422 B16R0.221 COC(=O)CCCCCCCOCCCCF 7a_100011022521_100000729493 [0,2,0,0,0,0|1,0,0]=3 7423 B16R0.221 COC(=O)CCCCCCCOCCCCF 7a_100011995726_100010004213 [0,2,0,0,0,0|1,0,0]=3 7424 B16R0.221 COC(=O)CCCCCCCOCCCCI 34a_200012148704_100010004213 [0,2,0,0,0,0|1,0,0]=3 7425 B16R0.221 COC(=O)CCCCCCCOCCCCN 34a_100000750430_100010004213 [0,2,0,0,0,0|1,0,0]=3 7426 B16R0.221 COC(=O)CCCCCCCOCCCCO 34a_100011022521_100011216708 [0,2,0,0,0,0|0,0,0]=2 7427 B16R0.221 COC(=O)CCCCCCCOCCCCO 7a_100011022521_100000210776 [0,2,0,0,0,0|0,0,0]=2 7428 B16R0.221 COC(=O)CCCCCCCOCCCSC 34a_100000690336_100010004213 [0,2,0,0,0,0|1,1,0]=4 7429 B16R0.221 COC(=O)CCCCCCCOCCCSC 7a_100000690336_100010004213 [0,2,0,0,0,0|1,1,0]=4 7430 B16R0.221 COC(=O)CCCCCCCSCC#CCO 62a_100010004213_200000047223 [0,2,0,0,0,0|0,0,2]=4 7431 B16R0.221 COC(=O)CCCCCCCSCC#CCO 62a_200000047223_100010004213 [0,2,0,0,0,0|0,0,2]=4 7432 B16R0.221 COC(=O)CCCCCCCSCCCC#N 62a_100000687738_100010004213 [0,2,0,0,0,0|1,0,1]=4 7433 B16R0.221 COC(=O)CCCCCCCSCCCC#N 62a_100010004213_100000687738 [0,2,0,0,0,0|1,0,1]=4 7434 B16R0.221 COC(=O)CCCCCCCSCCCC=O 62a_100010004213_200011292268 [0,2,0,0,0,0|0,0,2]=4 7435 B16R0.221 COC(=O)CCCCCCCSCCCC=O 62a_200011292268_100010004213 [0,2,0,0,0,0|0,0,2]=4 7436 B16R0.221 COC(=O)CCCCCCCSCCCCF 62a_100000729493_100010004213 [0,2,0,0,0,0|1,0,0]=3 7437 B16R0.221 COC(=O)CCCCCCCSCCCCF 62a_100010004213_100000729493 [0,2,0,0,0,0|1,0,0]=3 7438 B16R0.221 COC(=O)CCCCCCCSCCCCO 62a_100000210776_100010004213 [0,2,0,0,0,0|0,0,0]=2 7439 B16R0.221 COC(=O)CCCCCCCSCCCCO 62a_100010004213_100000210776 [0,2,0,0,0,0|0,0,0]=2 7440 B16R0.221 COC(=O)CCCCCCNCCCCCO 2230a_100000762737_100009815986 [0,2,0,0,0,0|0,0,0]=2 7441 B16R0.221 COC(=O)CCCCCCNCCCCCO 34a_100000762737_100009815986 [0,2,0,0,0,0|0,0,0]=2 7442 B16R0.221 COC(=O)CCCCCCNCCOCCO 2230a_100000211614_100009815986 [0,2,0,0,0,0|1,0,0]=3 7443 B16R0.221 COC(=O)CCCCCCNCCOCCO 34a_100000211614_100009815986 [0,2,0,0,0,0|1,0,0]=3 7444 B16R0.221 COC(=O)CCCCCCNCCSCCO 2230a_100011219999_100009815986 [0,2,0,0,0,0|1,0,0]=3 7445 B16R0.221 COC(=O)CCCCCCOCCCCC#N 7a_100009863599_100000211819 [0,2,0,0,0,0|1,0,1]=4 7446 B16R0.221 COC(=O)CCCCCCOCCCCC=O 7a_100009863599_100000139335 [0,2,0,0,0,0|0,0,2]=4 7447 B16R0.221 COC(=O)CCCCCCOCCCCCBr 34a_100000746331_100009815986 [0,2,0,0,0,0|1,0,0]=3 7448 B16R0.221 COC(=O)CCCCCCOCCCCCBr 7a_100000746331_100009815986 [0,2,0,0,0,0|1,0,0]=3 7449 B16R0.221 COC(=O)CCCCCCOCCCCCCl 34a_100000746330_100009815986 [0,2,0,0,0,0|1,0,0]=3 7450 B16R0.221 COC(=O)CCCCCCOCCCCCCl 7a_100000746330_100009815986 [0,2,0,0,0,0|1,0,0]=3 7451 B16R0.221 COC(=O)CCCCCCOCCCCCF 34a_100009863599_100000729378 [0,2,0,0,0,0|1,0,0]=3 7452 B16R0.221 COC(=O)CCCCCCOCCCCCF 7a_100009863599_100000729378 [0,2,0,0,0,0|1,0,0]=3 7453 B16R0.221 COC(=O)CCCCCCOCCCCCI 34a_200012148887_100009815986 [0,2,0,0,0,0|1,0,0]=3 7454 B16R0.221 COC(=O)CCCCCCOCCCCCI 7a_200012148887_100009815986 [0,2,0,0,0,0|1,0,0]=3 7455 B16R0.221 COC(=O)CCCCCCOCCCCCN 34a_100000762737_100009815986 [0,2,0,0,0,0|1,0,0]=3 7456 B16R0.221 COC(=O)CCCCCCOCCCCCO 34a_100009863599_100000746330 [0,2,0,0,0,0|0,0,0]=2 7457 B16R0.221 COC(=O)CCCCCCOCCCCCO 7a_100009863599_100000746330 [0,2,0,0,0,0|0,0,0]=2 7458 B16R0.221 COC(=O)CCCCCCOCCCCSC 34a_100011217163_100009815986 [0,2,0,0,0,0|1,1,0]=4 7459 B16R0.221 COC(=O)CCCCCCOCCCCSC 7a_100011217163_100009815986 [0,2,0,0,0,0|1,1,0]=4 7460 B16R0.221 COC(=O)CCCCCCOCCOCCBr 34a_100000692535_100009815986 [0,2,0,0,0,0|2,0,0]=4 7461 B16R0.221 COC(=O)CCCCCCOCCOCCBr 7a_100000692535_100009815986 [0,2,0,0,0,0|2,0,0]=4 7462 B16R0.221 COC(=O)CCCCCCOCCOCCCl 34a_100011215305_100009815986 [0,2,0,0,0,0|2,0,0]=4 7463 B16R0.221 COC(=O)CCCCCCOCCOCCCl 7a_100011215305_100009815986 [0,2,0,0,0,0|2,0,0]=4 7464 B16R0.221 COC(=O)CCCCCCOCCOCCF 34a_200015357709_100009815986 [0,2,0,0,0,0|2,0,0]=4 7465 B16R0.221 COC(=O)CCCCCCOCCOCCF 7a_200015357709_100009815986 [0,2,0,0,0,0|2,0,0]=4 7466 B16R0.221 COC(=O)CCCCCCOCCOCCI 34a_100012149058_100009815986 [0,2,0,0,0,0|2,0,0]=4 7467 B16R0.221 COC(=O)CCCCCCOCCOCCI 7a_100012149058_100009815986 [0,2,0,0,0,0|2,0,0]=4 7468 B16R0.221 COC(=O)CCCCCCOCCOCCN 34a_100000211614_100009815986 [0,2,0,0,0,0|2,0,0]=4 7469 B16R0.221 COC(=O)CCCCCCOCCOCCO 34a_100009863599_100000692535 [0,2,0,0,0,0|1,0,0]=3 7470 B16R0.221 COC(=O)CCCCCCOCCOCCO 7a_100009863599_100011215305 [0,2,0,0,0,0|1,0,0]=3 7471 B16R0.221 COC(=O)CCCCCCSCCCCC#N 62a_100009815986_100000211819 [0,2,0,0,0,0|1,0,1]=4 7472 B16R0.221 COC(=O)CCCCCCSCCCCC#N 62a_100011219923_100009815986 [0,2,0,0,0,0|1,0,1]=4 7473 B16R0.221 COC(=O)CCCCCCSCCCCC=O 62a_100000139335_100009815986 [0,2,0,0,0,0|0,0,2]=4 7474 B16R0.221 COC(=O)CCCCCCSCCCCC=O 62a_100009815986_100000139335 [0,2,0,0,0,0|0,0,2]=4 7475 B16R0.221 COC(=O)CCCCCCSCCCCCF 62a_100000729378_100009815986 [0,2,0,0,0,0|1,0,0]=3 7476 B16R0.221 COC(=O)CCCCCCSCCCCCF 62a_100009815986_100000729378 [0,2,0,0,0,0|1,0,0]=3 7477 B16R0.221 COC(=O)CCCCCCSCCCCCO 62a_100000746330_100009815986 [0,2,0,0,0,0|0,0,0]=2 7478 B16R0.221 COC(=O)CCCCCCSCCCCCO 62a_100009815986_100000746330 [0,2,0,0,0,0|0,0,0]=2 7479 B16R0.221 COC(=O)CCCCCCSCCOCCO 62a_100009815986_100011215305 [0,2,0,0,0,0|1,0,0]=3 7480 B16R0.221 COC(=O)CCCCCCSCCOCCO 62a_100011215305_100009815986 [0,2,0,0,0,0|1,0,0]=3 7481 B16R0.221 COC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009816466 [0,2,0,0,0,0|0,0,0]=2 7482 B16R0.221 COC(=O)CCCCCNCCCCCCO 34a_100000686447_100009816466 [0,2,0,0,0,0|0,0,0]=2 7483 B16R0.221 COC(=O)CCCCCOCCCCCC#N 7a_100000074720_100009813376 [0,2,0,0,0,0|1,0,1]=4 7484 B16R0.221 COC(=O)CCCCCOCCCCCC=O 7a_100000074720_100000139337 [0,2,0,0,0,0|0,0,2]=4 7485 B16R0.221 COC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009816466 [0,2,0,0,0,0|1,0,0]=3 7486 B16R0.221 COC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009816466 [0,2,0,0,0,0|1,0,0]=3 7487 B16R0.221 COC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009816466 [0,2,0,0,0,0|1,0,0]=3 7488 B16R0.221 COC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009816466 [0,2,0,0,0,0|1,0,0]=3 7489 B16R0.221 COC(=O)CCCCCOCCCCCCF 34a_100000074720_100015922095 [0,2,0,0,0,0|1,0,0]=3 7490 B16R0.221 COC(=O)CCCCCOCCCCCCF 34a_100000732779_100009816466 [0,2,0,0,0,0|1,0,0]=3 7491 B16R0.221 COC(=O)CCCCCOCCCCCCF 7a_100000074720_100015922095 [0,2,0,0,0,0|1,0,0]=3 7492 B16R0.221 COC(=O)CCCCCOCCCCCCF 7a_100000732779_100009816466 [0,2,0,0,0,0|1,0,0]=3 7493 B16R0.221 COC(=O)CCCCCOCCCCCCN 34a_100000686447_100009816466 [0,2,0,0,0,0|1,0,0]=3 7494 B16R0.221 COC(=O)CCCCCOCCCCCCO 34a_100000074720_100000766143 [0,2,0,0,0,0|0,0,0]=2 7495 B16R0.221 COC(=O)CCCCCOCCCCCCO 7a_100000074720_100000766143 [0,2,0,0,0,0|0,0,0]=2 7496 B16R0.221 COC(=O)CCCCCSCCCCCC#N 62a_100009813376_100009816466 [0,2,0,0,0,0|1,0,1]=4 7497 B16R0.221 COC(=O)CCCCCSCCCCCC#N 62a_100009816466_100009813376 [0,2,0,0,0,0|1,0,1]=4 7498 B16R0.221 COC(=O)CCCCCSCCCCCC=O 62a_100000139337_100009816466 [0,2,0,0,0,0|0,0,2]=4 7499 B16R0.221 COC(=O)CCCCCSCCCCCC=O 62a_100009816466_100000139337 [0,2,0,0,0,0|0,0,2]=4 7500 B16R0.221 COC(=O)CCCCCSCCCCCCF 62a_100009816466_100015922095 [0,2,0,0,0,0|1,0,0]=3 7501 B16R0.221 COC(=O)CCCCCSCCCCCCF 62a_100015922095_100009816466 [0,2,0,0,0,0|1,0,0]=3 7502 B16R0.221 COC(=O)CCCCCSCCCCCCO 62a_100000766143_100009816466 [0,2,0,0,0,0|0,0,0]=2 7503 B16R0.221 COC(=O)CCCCCSCCCCCCO 62a_100009816466_100000766143 [0,2,0,0,0,0|0,0,0]=2 7504 B16R0.221 COC(=O)CCCCNCCCCCCCO 2230a_100011996573_100000204269 [0,2,0,0,0,0|0,0,0]=2 7505 B16R0.221 COC(=O)CCCCNCCCCCCCO 34a_100011996573_100000204269 [0,2,0,0,0,0|0,0,0]=2 7506 B16R0.221 COC(=O)CCCCNCCCOCCCO 2230a_100011310245_100000204269 [0,2,0,0,0,0|1,0,0]=3 7507 B16R0.221 COC(=O)CCCCNCCCOCCCO 34a_100011310245_100000204269 [0,2,0,0,0,0|1,0,0]=3 7508 B16R0.221 COC(=O)CCCCOCCCCCCC#N 7a_100000059025_100009813337 [0,2,0,0,0,0|1,0,1]=4 7509 B16R0.221 COC(=O)CCCCOCCCCCCCBr 34a_100000760002_100000204269 [0,2,0,0,0,0|1,0,0]=3 7510 B16R0.221 COC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000204269 [0,2,0,0,0,0|1,0,0]=3 7511 B16R0.221 COC(=O)CCCCOCCCCCCCN 34a_100011996573_100000204269 [0,2,0,0,0,0|1,0,0]=3 7512 B16R0.221 COC(=O)CCCCOCCCCCCCO 34a_100000059025_100000760002 [0,2,0,0,0,0|0,0,0]=2 7513 B16R0.221 COC(=O)CCCCOCCCCCCCO 7a_100000059025_100000760002 [0,2,0,0,0,0|0,0,0]=2 7514 B16R0.221 COC(=O)CCCCOCCCOCCCN 34a_100011310245_100000204269 [0,2,0,0,0,0|2,0,0]=4 7515 B16R0.221 COC(=O)CCCCSCCCCCCC#N 62a_100000204269_100009813337 [0,2,0,0,0,0|1,0,1]=4 7516 B16R0.221 COC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000204269 [0,2,0,0,0,0|1,0,1]=4 7517 B16R0.221 COC(=O)CCCCSCCCCCCCO 62a_100000204269_100000760002 [0,2,0,0,0,0|0,0,0]=2 7518 B16R0.221 COC(=O)CCCCSCCCCCCCO 62a_100000760002_100000204269 [0,2,0,0,0,0|0,0,0]=2 7519 B16R0.221 COC(=O)CCCNCCCCCCCCO 2230a_102515433106_100011218270 [0,2,0,0,0,0|0,0,0]=2 7520 B16R0.221 COC(=O)CCCNCCCCCCCCO 34a_102515433106_100000742333 [0,2,0,0,0,0|0,0,0]=2 7521 B16R0.221 COC(=O)CCCNCCOCCOCCO 2230a_100011998139_100011218270 [0,2,0,0,0,0|2,0,0]=4 7522 B16R0.221 COC(=O)CCCNCCOCCOCCO 34a_100011998139_100000742333 [0,2,0,0,0,0|2,0,0]=4 7523 B16R0.221 COC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000742333 [0,2,0,0,0,0|1,0,0]=3 7524 B16R0.221 COC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011218270 [0,2,0,0,0,0|1,0,0]=3 7525 B16R0.221 COC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000742333 [0,2,0,0,0,0|1,0,0]=3 7526 B16R0.221 COC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011218270 [0,2,0,0,0,0|1,0,0]=3 7527 B16R0.221 COC(=O)CCCOCCCCCCCCN 34a_102515433106_100000742333 [0,2,0,0,0,0|1,0,0]=3 7528 B16R0.221 COC(=O)CCCOCCCCCNCCN 34a_103619048469_100000742333 [0,2,0,0,0,0|2,0,0]=4 7529 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100000033203_100011218270 [0,2,0,0,0,0|0,0,0]=2 7530 B16R0.221 COC(=O)CCCSCCCCCCCCO 62a_100011218270_100000033203 [0,2,0,0,0,0|0,0,0]=2 7531 B16R0.221 COC(=O)CCCSCCOCCOCCO 62a_100000032323_100011218270 [0,2,0,0,0,0|2,0,0]=4 7532 B16R0.221 COC(=O)CCCSCCOCCOCCO 62a_100011218270_100000032323 [0,2,0,0,0,0|2,0,0]=4 7533 B16R0.221 COC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000204255 [0,2,0,0,0,0|0,0,0]=2 7534 B16R0.221 COC(=O)CCNCCCCCCCCCO 34a_100000078944_100000742370 [0,2,0,0,0,0|0,0,0]=2 7535 B16R0.221 COC(=O)CCNCCCOCCOCCO 2230a_100011996194_100000204255 [0,2,0,0,0,0|2,0,0]=4 7536 B16R0.221 COC(=O)CCNCCCOCCOCCO 34a_100011996194_100000742370 [0,2,0,0,0,0|2,0,0]=4 7537 B16R0.221 COC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000742370 [0,2,0,0,0,0|1,0,0]=3 7538 B16R0.221 COC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000204255 [0,2,0,0,0,0|1,0,0]=3 7539 B16R0.221 COC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000742370 [0,2,0,0,0,0|1,0,0]=3 7540 B16R0.221 COC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000204255 [0,2,0,0,0,0|1,0,0]=3 7541 B16R0.221 COC(=O)CCOCCCCCCCCCN 34a_100000078944_100000742370 [0,2,0,0,0,0|1,0,0]=3 7542 B16R0.221 COC(=O)CCOCCOCCOCCCO 34a_100010982084_100000230001 [0,2,0,0,0,0|2,0,0]=4 7543 B16R0.221 COC(=O)CCOCCOCCOCCCO 7a_100010982084_100011215043 [0,2,0,0,0,0|2,0,0]=4 7544 B16R0.221 COC(=O)CCSCCCCCCCCCO 62a_100000204255_100009813782 [0,2,0,0,0,0|0,0,0]=2 7545 B16R0.221 COC(=O)CCSCCCCCCCCCO 62a_100009813782_100000204255 [0,2,0,0,0,0|0,0,0]=2 7546 B16R0.221 COC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747449 [0,2,0,0,0,0|0,0,0]=2 7547 B16R0.221 COC(=O)CNCCCCCCCCCCO 34a_100000066964_100000747449 [0,2,0,0,0,0|0,0,0]=2 7548 B16R0.221 COC(=O)COCCCCCCCCCCBr 34a_100009813290_100000747449 [0,2,0,0,0,0|1,0,0]=3 7549 B16R0.221 COC(=O)COCCCCCCCCCCBr 7a_100009813290_100000747449 [0,2,0,0,0,0|1,0,0]=3 7550 B16R0.221 COC(=O)COCCCCCCCCCCCl 34a_200000033068_100000747449 [0,2,0,0,0,0|1,0,0]=3 7551 B16R0.221 COC(=O)COCCCCCCCCCCCl 7a_200000033068_100000747449 [0,2,0,0,0,0|1,0,0]=3 7552 B16R0.221 COC(=O)COCCCCCCCCCCN 34a_100000066964_100000747449 [0,2,0,0,0,0|1,0,0]=3 7553 B16R0.221 COC(=O)COCCNCCCCCCCO 2230a_100011996573_100000090808 [0,2,0,0,0,0|1,0,0]=3 7554 B16R0.221 COC(=O)COCCNCCCCCCCO 34a_100011996573_100000090808 [0,2,0,0,0,0|1,0,0]=3 7555 B16R0.221 COC(=O)COCCNCCCOCCCO 2230a_100011310245_100000090808 [0,2,0,0,0,0|2,0,0]=4 7556 B16R0.221 COC(=O)COCCNCCCOCCCO 34a_100011310245_100000090808 [0,2,0,0,0,0|2,0,0]=4 7557 B16R0.221 COC(=O)COCCOCCCCCCCBr 34a_100000760002_100000090808 [0,2,0,0,0,0|2,0,0]=4 7558 B16R0.221 COC(=O)COCCOCCCCCCCBr 7a_100000760002_100000090808 [0,2,0,0,0,0|2,0,0]=4 7559 B16R0.221 COC(=O)COCCOCCCCCCCN 34a_100011996573_100000090808 [0,2,0,0,0,0|2,0,0]=4 7560 B16R0.221 COC(=O)COCCOCCOCCCCO 34a_100011023656_100011216708 [0,2,0,0,0,0|2,0,0]=4 7561 B16R0.221 COC(=O)COCCOCCOCCCCO 7a_100011023656_100000210776 [0,2,0,0,0,0|2,0,0]=4 7562 B16R0.221 COC(=O)COCCSCCCCCCCO 62a_100000090808_100000760002 [0,2,0,0,0,0|1,0,0]=3 7563 B16R0.221 COC(=O)COCCSCCCCCCCO 62a_100000760002_100000090808 [0,2,0,0,0,0|1,0,0]=3 7564 B16R0.221 COC(=O)CSCCCCCCCCCCO 62a_100000747449_200000033068 [0,2,0,0,0,0|0,0,0]=2 7565 B16R0.221 COC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747449 [0,2,0,0,0,0|0,0,0]=2 7566 B16R0.221 COC(=O)NCCOCCCCCCCCO 34a_100000757965_100000033203 [0,2,0,0,0,0|1,0,0]=3 7567 B16R0.221 COC(=O)OCCOCCCCCCCCO 34a_100010262106_100000033203 [0,2,0,0,0,0|1,0,0]=3 7568 B16R0.221 COC(=O)OCSCCCCCCCCCO 62a_100009813782_100000139417 [0,2,0,0,0,0|1,0,0]=3 7569 B16R0.221 COC(C)CCOCCCCCCCCCO 7a_100000764861_100009813782 [0,2,0,0,0,0|1,0,1]=4 7570 B16R0.221 COC(C)COCCCCCCCCCCO 34a_100000690652_100009813290 [0,2,0,0,0,0|1,0,1]=4 7571 B16R0.221 COC(C)SCCCCCCCCCCCO 62a_100009812471_100009879195 [0,2,0,0,0,0|1,0,1]=4 7572 B16R0.221 COCCCCCCCCCCCC(=O)OC 34a_100138415774_100010983606 [0,2,0,0,0,0|0,0,0]=2 7573 B16R0.221 COCCCCCCOCCCCC(=O)OC 34a_100000059025_100011998445 [0,2,0,0,0,0|1,0,0]=3 7574 B16R0.221 COCCCCCCOCCCCC(=O)OC 34a_200012092642_100000204269 [0,2,0,0,0,0|1,0,0]=3 7575 B16R0.221 COCCCCCCOCCCCC(=O)OC 7a_100000059025_100011998445 [0,2,0,0,0,0|1,0,0]=3 7576 B16R0.221 COCCCCCCOCCCCC(=O)OC 7a_200012092642_100000204269 [0,2,0,0,0,0|1,0,0]=3 7577 B16R0.221 COCCCCCCOCCOCC(=O)OC 34a_200012092642_100000090808 [0,2,0,0,0,0|2,0,0]=4 7578 B16R0.221 COCCCCCCOCCOCC(=O)OC 7a_200012092642_100000090808 [0,2,0,0,0,0|2,0,0]=4 7579 B16R0.221 COCCCCCCSCCCCC(=O)OC 62a_100000204269_100011998445 [0,2,0,0,0,0|1,0,0]=3 7580 B16R0.221 COCCCCCCSCCCCC(=O)OC 62a_100011998445_100000204269 [0,2,0,0,0,0|1,0,0]=3 7581 B16R0.221 COCCCCCCSCCOCC(=O)OC 62a_100000090808_100011998445 [0,2,0,0,0,0|2,0,0]=4 7582 B16R0.221 COCCCCCCSCCOCC(=O)OC 62a_100011998445_100000090808 [0,2,0,0,0,0|2,0,0]=4 7583 B16R0.221 COCCCCCNCCCCCC(=O)OC 2230a_100000747528_100009816466 [0,2,0,0,0,0|1,0,0]=3 7584 B16R0.221 COCCCCCNCCCCCC(=O)OC 34a_100000747528_100009816466 [0,2,0,0,0,0|1,0,0]=3 7585 B16R0.221 COCCCCOCCCCCCC(=O)OC 34a_100000740925_100009815986 [0,2,0,0,0,0|1,0,0]=3 7586 B16R0.221 COCCCCOCCCCCCC(=O)OC 34a_100009863599_100000755781 [0,2,0,0,0,0|1,0,0]=3 7587 B16R0.221 COCCCCOCCCCCCC(=O)OC 7a_100009863599_100000730899 [0,2,0,0,0,0|1,0,0]=3 7588 B16R0.221 COCCCCSCCCCCCC(=O)OC 62a_100000730899_100009815986 [0,2,0,0,0,0|1,0,0]=3 7589 B16R0.221 COCCCCSCCCCCCC(=O)OC 62a_100009815986_100000730899 [0,2,0,0,0,0|1,0,0]=3 7590 B16R0.221 COCCCNCCCCCCCC(=O)OC 34a_100150723488_100010004213 [0,2,0,0,0,0|1,0,0]=3 7591 B16R0.221 COCCCOCCCCCCCC(=O)OC 34a_100000740835_100010004213 [0,2,0,0,0,0|1,0,0]=3 7592 B16R0.221 COCCCOCCCCCCCC(=O)OC 34a_100011022521_100000740836 [0,2,0,0,0,0|1,0,0]=3 7593 B16R0.221 COCCCOCCCCCCCC(=O)OC 7a_100011022521_100000740836 [0,2,0,0,0,0|1,0,0]=3 7594 B16R0.221 COCCCOCCCOCCCC(=O)OC 34a_200011215475_100000742333 [0,2,0,0,0,0|2,0,0]=4 7595 B16R0.221 COCCCOCCCOCCCC(=O)OC 7a_200011215475_100011218270 [0,2,0,0,0,0|2,0,0]=4 7596 B16R0.221 COCCCSCCCCCCCC(=O)OC 62a_100000709357_100010004213 [0,2,0,0,0,0|1,0,0]=3 7597 B16R0.221 COCCCSCCCCCCCC(=O)OC 62a_100010004213_100000709357 [0,2,0,0,0,0|1,0,0]=3 7598 B16R0.221 COCCNCCCCCCCCC(=O)OC 2230a_100000209980_100010282707 [0,2,0,0,0,0|1,0,0]=3 7599 B16R0.221 COCCOCCCCCCCCC(=O)OC 34a_100000035544_100011201679 [0,2,0,0,0,0|1,0,0]=3 7600 B16R0.221 COCCOCCCCCCCCC(=O)OC 34a_100000210237_100010282707 [0,2,0,0,0,0|1,0,0]=3 7601 B16R0.221 COCCOCCCCCCCCC(=O)OC 7a_100000035544_100000233755 [0,2,0,0,0,0|1,0,0]=3 7602 B16R0.221 COCCOCCCNCCCCC(=O)OC 2230a_100000206027_100000204269 [0,2,0,0,0,0|2,0,0]=4 7603 B16R0.221 COCCOCCCNCCCCC(=O)OC 34a_100000206027_100000204269 [0,2,0,0,0,0|2,0,0]=4 7604 B16R0.221 COCCOCCCOCCCCC(=O)OC 34a_100000059025_100011216529 [0,2,0,0,0,0|2,0,0]=4 7605 B16R0.221 COCCOCCCOCCCCC(=O)OC 7a_100000059025_100011216529 [0,2,0,0,0,0|2,0,0]=4 7606 B16R0.221 COCCOCCCSCCCCC(=O)OC 62a_100000204269_100011216529 [0,2,0,0,0,0|2,0,0]=4 7607 B16R0.221 COCCOCCCSCCCCC(=O)OC 62a_100011216529_100000204269 [0,2,0,0,0,0|2,0,0]=4 7608 B16R0.221 COCCOCCNCCCCCC(=O)OC 2230a_100000745349_100009816466 [0,2,0,0,0,0|2,0,0]=4 7609 B16R0.221 COCCOCCNCCCCCC(=O)OC 34a_100000745349_100009816466 [0,2,0,0,0,0|2,0,0]=4 7610 B16R0.221 COCCOCCOCCCCCC(=O)OC 34a_100000074720_100000695917 [0,2,0,0,0,0|2,0,0]=4 7611 B16R0.221 COCCOCCOCCCCCC(=O)OC 34a_100011215163_100009816466 [0,2,0,0,0,0|2,0,0]=4 7612 B16R0.221 COCCOCCOCCCCCC(=O)OC 7a_100000074720_100000695917 [0,2,0,0,0,0|2,0,0]=4 7613 B16R0.221 COCCOCCOCCCCCC(=O)OC 7a_100011215163_100009816466 [0,2,0,0,0,0|2,0,0]=4 7614 B16R0.221 COCCOCCSCCCCCC(=O)OC 62a_100000695917_100009816466 [0,2,0,0,0,0|2,0,0]=4 7615 B16R0.221 COCCOCCSCCCCCC(=O)OC 62a_100009816466_100000695917 [0,2,0,0,0,0|2,0,0]=4 7616 B16R0.221 COCCOCSCCCCCCC(=O)OC 62a_100000231047_100009815986 [0,2,0,0,0,0|2,0,0]=4 7617 B16R0.221 COCCOCSCCCCCCC(=O)OC 62a_100009815986_100000231047 [0,2,0,0,0,0|2,0,0]=4 7618 B16R0.221 COCCSCCCCCCCCC(=O)OC 62a_100000233755_100010282707 [0,2,0,0,0,0|1,0,0]=3 7619 B16R0.221 COCCSCCCCCCCCC(=O)OC 62a_100010282707_100000233755 [0,2,0,0,0,0|1,0,0]=3 7620 B16R0.221 COCSCCCCCCCCCC(=O)OC 62a_100000766300_100009813843 [0,2,0,0,0,0|1,0,0]=3 7621 B16R0.221 CO[C@H](C)CNCCCCCCCCCCO 2230a_100020591295_100009813290 [0,2,0,0,0,0|1,0,1]=4 7622 B16R0.221 C[C@@H](CO)CNCCCCCCCCCCO 2230a_100000066964_100000059175 [0,2,0,0,0,0|1,0,1]=4 7623 B16R0.221 C[C@@H](CO)CNCCCCCCCCCCO 34a_100000066964_100000059175 [0,2,0,0,0,0|1,0,1]=4 7624 B16R0.221 C[C@@H](CO)CSCCCCCCCCCCO 62a_100000059175_200000033068 [0,2,0,0,0,0|1,0,1]=4 7625 B16R0.221 C[C@@H](CO)CSCCCCCCCCCCO 62a_100009813290_100000059175 [0,2,0,0,0,0|1,0,1]=4 7626 B16R0.221 C[C@H](CO)NCCCCCCCCCCCO 2230a_100000737577_100009812471 [0,2,0,0,0,0|1,0,1]=4 7627 B16R0.221 C[C@H](CO)SCCCCCCCCCCCO 62a_100009812471_100016084084 [0,2,0,0,0,0|1,0,1]=4 7628 B16R0.221 NC(=NO)CCOCCCCCCCCCO 34a_100000749954_100009813782 [0,2,0,0,0,0|1,0,0]=3 7629 B16R0.221 NNC(=O)CCCOCCCCCCCCO 34a_100000211488_100000033203 [0,2,0,0,0,0|1,0,0]=3 7630 B16R0.221 O=C(CO)CCCCCCCCCCCCO 1458a_100000210174_100009813331 [0,2,0,0,0,0|0,0,0]=2 7631 B16R0.221 O=C(CO)CCCCCCOCCCCCO 1458a_100000210174_200132310570 [0,2,0,0,0,0|0,0,0]=2 7632 B16R0.221 OCCCCCCCCCCNCC(O)CO 2230a_100000066964_100011219619 [0,2,0,0,0,0|0,0,2]=4 7633 B16R0.221 OCCCCCCCCCCNCC(O)CO 34a_100000066964_100011219619 [0,2,0,0,0,0|0,0,2]=4 7634 B16R0.221 OCCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100009813290 [0,2,0,0,0,0|1,0,1]=4 7635 B16R0.221 OCCCCCCCCCCNC[C@@H](O)CF 2230a_100000066964_100015614560 [0,2,0,0,0,0|1,0,1]=4 7636 B16R0.221 OCCCCCCCCCCNC[C@@H](O)CF 34a_100000066964_100015614560 [0,2,0,0,0,0|1,0,1]=4 7637 B16R0.221 OCCCCCCCCCCNC[C@@H](O)CO 2230a_100000066964_100009815848 [0,2,0,0,0,0|0,0,2]=4 7638 B16R0.221 OCCCCCCCCCCNC[C@@H](O)CO 34a_100000066964_100009815848 [0,2,0,0,0,0|0,0,2]=4 7639 B16R0.221 OCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100009813290 [0,2,0,0,0,0|0,0,2]=4 7640 B16R0.221 OCCCCCCCCCCSCC(O)CO 62a_100009813290_100011219619 [0,2,0,0,0,0|0,0,2]=4 7641 B16R0.221 OCCCCCCCCCCSCC(O)CO 62a_100011219619_200000033068 [0,2,0,0,0,0|0,0,2]=4 7642 B16R0.221 OCCCCCCCCCCSC[C@@H](O)CF 62a_100009813290_100015614560 [0,2,0,0,0,0|1,0,1]=4 7643 B16R0.221 OCCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_200000033068 [0,2,0,0,0,0|1,0,1]=4 7644 B16R0.221 OCCCCCCCCCCSC[C@@H](O)CO 62a_100009813290_100009815848 [0,2,0,0,0,0|0,0,2]=4 7645 B16R0.221 OCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_200000033068 [0,2,0,0,0,0|0,0,2]=4 7646 B16R0.224 C=C(C)C(=O)CCCCCCCCCCCO 1458a_100000185857_100009812471 [0,2,0,0,0,0|1,0,0]=3 7647 B16R0.224 C=C(C)C(C)NCCCCCCCCCCO 269862a_100000066964_100011216138 [0,2,0,0,0,0|2,0,0]=4 7648 B16R0.224 C=CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011093070 [0,2,0,0,0,0|1,0,1]=4 7649 B16R0.224 C=CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011093070 [0,2,0,0,0,0|1,0,1]=4 7650 B16R0.224 C=CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011093070 [0,2,0,0,0,0|1,0,1]=4 7651 B16R0.224 C=CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814027 [0,2,0,0,0,0|1,0,1]=4 7652 B16R0.224 C=CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011933949 [0,2,0,0,0,0|1,0,1]=4 7653 B16R0.224 C=CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011933949 [0,2,0,0,0,0|1,0,1]=4 7654 B16R0.224 CC(=O)C(=O)CNCCCCCCCCCO 34a_100000078944_100011261029 [0,2,0,0,0,0|1,0,1]=4 7655 B16R0.224 CC(=O)C(=O)CSCCCCCCCCCO 62a_100009813782_100011261029 [0,2,0,0,0,0|1,0,1]=4 7656 B16R0.224 CC(=O)C(=O)CSCCCCCCCCCO 62a_100011261029_100009813782 [0,2,0,0,0,0|1,0,1]=4 7657 B16R0.224 CC(=O)C(C)COCCCCCCCCCO 34a_100000032740_100009813782 [0,2,0,0,0,0|1,0,0]=3 7658 B16R0.224 CC(=O)C(C)COCCCCCCCCCO 7a_100000032740_100009813782 [0,2,0,0,0,0|1,0,0]=3 7659 B16R0.224 CC(=O)C(C)NCCCCCCCCCCO 2230a_100000066964_100009814033 [0,2,0,0,0,0|1,0,0]=3 7660 B16R0.224 CC(=O)C(C)OCCCCCCCCCCBr 7a_100009813290_100000179758 [0,2,0,0,0,0|2,0,0]=4 7661 B16R0.224 CC(=O)C(C)OCCCCCCCCCCCl 7a_200000033068_100000179758 [0,2,0,0,0,0|2,0,0]=4 7662 B16R0.224 CC(=O)C(C)OCCCCCCCCCCO 34a_100000212229_100009813290 [0,2,0,0,0,0|1,0,0]=3 7663 B16R0.224 CC(=O)C(C)SCCCCCCCCCCO 62a_100009813290_100009814033 [0,2,0,0,0,0|1,0,0]=3 7664 B16R0.224 CC(=O)C(C)SCCCCCCCCCCO 62a_100009814033_200000033068 [0,2,0,0,0,0|1,0,0]=3 7665 B16R0.224 CC(C)C(=O)CCCCCCCCCCCO 1458a_100000210198_100009812471 [0,2,0,0,0,0|1,0,0]=3 7666 B16R0.224 CC(C)C(=O)CNCCCCCCCCCO 2230a_100000078944_100000753385 [0,2,0,0,0,0|2,0,0]=4 7667 B16R0.224 CC(C)C(=O)CNCCCCCCCCCO 34a_100000078944_100000753385 [0,2,0,0,0,0|2,0,0]=4 7668 B16R0.224 CC(C)C(=O)CSCCCCCCCCCO 62a_100000753385_100009813782 [0,2,0,0,0,0|2,0,0]=4 7669 B16R0.224 CC(C)C(=O)CSCCCCCCCCCO 62a_100009813782_100000753385 [0,2,0,0,0,0|2,0,0]=4 7670 B16R0.224 CC(C)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000210198 [0,2,0,0,0,0|2,0,0]=4 7671 B16R0.224 CC(CNCCCCCCCCCO)C(=O)O 269956a_100000749485_100009813782 [0,2,0,0,0,0|0,0,0]=2 7672 B16R0.224 CC(COCCCCCCCCCO)[N+](=O)[O-] 34a_100000039676_100009813782 [0,2,0,0,0,0|1,0,1]=4 7673 B16R0.224 CC(COCCCCCCCCCO)[N+](=O)[O-] 7a_100000039676_100009813782 [0,2,0,0,0,0|1,0,1]=4 7674 B16R0.224 CC(F)C(=O)CCCCCCCCCCCO 1458a_100000062450_100009812471 [0,2,0,0,0,0|1,0,0]=3 7675 B16R0.224 CC(F)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000062450 [0,2,0,0,0,0|2,0,0]=4 7676 B16R0.224 CC(NCCCCCCCCCCO)C(=O)N 2230a_100000066964_100000702099 [0,2,0,0,0,0|1,0,0]=3 7677 B16R0.224 CC(NCCCCCCCCCCO)C(=O)N 34a_100000066964_100000702099 [0,2,0,0,0,0|1,0,0]=3 7678 B16R0.224 CC(OCCCCCCCCCCBr)C(=O)N 34a_100009813290_100000702099 [0,2,0,0,0,0|2,0,0]=4 7679 B16R0.224 CC(OCCCCCCCCCCBr)C(=O)N 7a_100009813290_100000702099 [0,2,0,0,0,0|2,0,0]=4 7680 B16R0.224 CC(OCCCCCCCCCCCl)C(=O)N 34a_200000033068_100000702099 [0,2,0,0,0,0|2,0,0]=4 7681 B16R0.224 CC(OCCCCCCCCCCCl)C(=O)N 7a_200000033068_100000702099 [0,2,0,0,0,0|2,0,0]=4 7682 B16R0.224 CC(OCCCCCCCCCCN)C(=O)N 34a_100000066964_100000702099 [0,2,0,0,0,0|2,0,0]=4 7683 B16R0.224 CC(SCCCCCCCCCCO)C(=O)N 62a_100000702099_200000033068 [0,2,0,0,0,0|1,0,0]=3 7684 B16R0.224 CC(SCCCCCCCCCCO)C(=O)N 62a_100009813290_100000702099 [0,2,0,0,0,0|1,0,0]=3 7685 B16R0.224 CCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000759014 [0,2,0,0,0,0|1,0,0]=3 7686 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100011215791 [0,2,0,0,0,0|2,0,0]=4 7687 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100011215791 [0,2,0,0,0,0|2,0,0]=4 7688 B16R0.224 CCCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100011215791 [0,2,0,0,0,0|2,0,0]=4 7689 B16R0.224 CCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000759014 [0,2,0,0,0,0|1,0,0]=3 7690 B16R0.224 CCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000759014 [0,2,0,0,0,0|1,0,0]=3 7691 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 11a_100000227908_100015343762 [0,2,0,0,0,0|2,0,0]=4 7692 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 1626a_100000227908_100015343762 [0,2,0,0,0,0|2,0,0]=4 7693 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 240690a_100000227908_100015343762 [0,2,0,0,0,0|2,0,0]=4 7694 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 527a_100000227908_100103153847 [0,2,0,0,0,0|2,0,0]=4 7695 B16R0.224 CCCCCCCCCCCNC(=O)C(O)O 240690a_200011215754_100000233687 [0,2,0,0,0,0|2,0,0]=4 7696 B16R0.224 CCCCCCCCCCCNC(=O)[C@@H](C)O 240690a_200011215754_100000717761 [0,2,0,0,0,0|2,0,0]=4 7697 B16R0.224 CCCCCCCCCCCNC(=O)[C@H](C)O 1626a_200011215754_217856618621 [0,2,0,0,0,0|2,0,0]=4 7698 B16R0.224 CCCCCCCCCCCNC(=O)[C@H](C)O 240690a_200011215754_217856618621 [0,2,0,0,0,0|2,0,0]=4 7699 B16R0.224 CCCCCCCCCCCNC(C)C(=O)C 2230a_200011215754_100009814033 [0,2,0,0,0,0|2,0,0]=4 7700 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 2230a_200011215754_100000702099 [0,2,0,0,0,0|2,0,0]=4 7701 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 34a_200011215754_100000702099 [0,2,0,0,0,0|2,0,0]=4 7702 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 2230a_200011215754_100009813875 [0,2,0,0,0,0|2,0,0]=4 7703 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 34a_200011215754_100009813875 [0,2,0,0,0,0|2,0,0]=4 7704 B16R0.224 CCCCCCCCCCCNC(F)C(=O)[O-] 34a_200011215754_100020610796 [0,2,0,0,0,0|1,0,1]=4 7705 B16R0.224 CCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215454 [0,2,0,0,0,0|1,0,0]=3 7706 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215454 [0,2,0,0,0,0|2,0,0]=4 7707 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215454 [0,2,0,0,0,0|2,0,0]=4 7708 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011215454 [0,2,0,0,0,0|2,0,0]=4 7709 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 7a_100000210809_100000179758 [0,2,0,0,0,0|2,0,0]=4 7710 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 34a_100000210809_100000702099 [0,2,0,0,0,0|2,0,0]=4 7711 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 7a_100000210809_100000702099 [0,2,0,0,0,0|2,0,0]=4 7712 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 34a_100000210809_100009813875 [0,2,0,0,0,0|2,0,0]=4 7713 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 7a_100000210809_100009813875 [0,2,0,0,0,0|2,0,0]=4 7714 B16R0.224 CCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210809_100020610796 [0,2,0,0,0,0|1,0,1]=4 7715 B16R0.224 CCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215454 [0,2,0,0,0,0|1,0,1]=4 7716 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215454 [0,2,0,0,0,0|2,0,0]=4 7717 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215454 [0,2,0,0,0,0|2,0,0]=4 7718 B16R0.224 CCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100011215454 [0,2,0,0,0,0|2,0,0]=4 7719 B16R0.224 CCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100011215454 [0,2,0,0,0,0|2,0,0]=4 7720 B16R0.224 CCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215454 [0,2,0,0,0,0|1,0,1]=4 7721 B16R0.224 CCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210320 [0,2,0,0,0,0|1,0,0]=3 7722 B16R0.224 CCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210320 [0,2,0,0,0,0|1,0,0]=3 7723 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210320 [0,2,0,0,0,0|2,0,0]=4 7724 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210320 [0,2,0,0,0,0|2,0,0]=4 7725 B16R0.224 CCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210320 [0,2,0,0,0,0|2,0,0]=4 7726 B16R0.224 CN(C)C(=O)CCCCCCCCCCCO 240690a_100102631434_100000037981 [0,2,0,0,0,0|1,0,0]=3 7727 B16R0.224 CN(C)C(=O)CCCCNCCCCCCO 34a_100000686447_100000752486 [0,2,0,0,0,0|2,0,0]=4 7728 B16R0.224 CN(C)C(=O)CCCCSCCCCCCO 62a_100000752486_100000766143 [0,2,0,0,0,0|2,0,0]=4 7729 B16R0.224 CN(C)C(=O)CCCCSCCCCCCO 62a_100000766143_100000752486 [0,2,0,0,0,0|2,0,0]=4 7730 B16R0.224 CN(C)C(=O)CCCNCCCCCCCO 2230a_100011996573_100000737642 [0,2,0,0,0,0|2,0,0]=4 7731 B16R0.224 CN(C)C(=O)CCCNCCCCCCCO 2230a_200000744827_100000760002 [0,2,0,0,0,0|2,0,0]=4 7732 B16R0.224 CN(C)C(=O)CCCSCCCCCCCO 62a_100000737642_100000760002 [0,2,0,0,0,0|2,0,0]=4 7733 B16R0.224 CN(C)C(=O)CCCSCCCCCCCO 62a_100000760002_100000737642 [0,2,0,0,0,0|2,0,0]=4 7734 B16R0.224 CN(C)C(=O)CCNCCCCCCCCO 2230a_100000738053_100000033203 [0,2,0,0,0,0|2,0,0]=4 7735 B16R0.224 CN(C)C(=O)CCNCCCCCCCCO 2230a_102515433106_100000737620 [0,2,0,0,0,0|2,0,0]=4 7736 B16R0.224 CN(C)C(=O)CCOCCCCCCCCO 34a_200000747469_100000033203 [0,2,0,0,0,0|2,0,0]=4 7737 B16R0.224 CN(C)C(=O)CCSCCCCCCCCO 62a_100000033203_100000737620 [0,2,0,0,0,0|2,0,0]=4 7738 B16R0.224 CN(C)C(=O)CCSCCCCCCCCO 62a_100000737620_100000033203 [0,2,0,0,0,0|2,0,0]=4 7739 B16R0.224 CN(C)C(=O)CNCCCCCCCCCO 2230a_100000078944_100000185267 [0,2,0,0,0,0|2,0,0]=4 7740 B16R0.224 CN(C)C(=O)CNCCCCCCCCCO 2230a_100015183351_100009813782 [0,2,0,0,0,0|2,0,0]=4 7741 B16R0.224 CN(C)C(=O)CNCCCCCCCCCO 34a_100000078944_100000692301 [0,2,0,0,0,0|2,0,0]=4 7742 B16R0.224 CN(C)C(=O)CSCCCCCCCCCO 62a_100000692301_100009813782 [0,2,0,0,0,0|2,0,0]=4 7743 B16R0.224 CN(C)C(=O)CSCCCCCCCCCO 62a_100009813782_100000692301 [0,2,0,0,0,0|2,0,0]=4 7744 B16R0.224 CN(C)C(=O)NCCCCCCCCCCO 2708a_100000066964_100102631434 [0,2,0,0,0,0|2,0,0]=4 7745 B16R0.224 C[C@@H](NCCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813290 [0,2,0,0,0,0|1,0,0]=3 7746 B16R0.224 C[C@@H](NCCCCCCCCCCO)C(=O)N 34a_100000119354_100009813290 [0,2,0,0,0,0|1,0,0]=3 7747 B16R0.224 C[C@@H](O)C(=O)CCCCCCCCCCCO 1458a_100000717761_100009812471 [0,2,0,0,0,0|0,0,0]=2 7748 B16R0.224 C[C@@H](O)C(=O)NCCCCCCCCCCO 240690a_100000066964_100000717761 [0,2,0,0,0,0|1,0,0]=3 7749 B16R0.224 C[C@@H](OCCCCCCCCCCO)C(=O)N 34a_100000731257_100009813290 [0,2,0,0,0,0|1,0,0]=3 7750 B16R0.224 C[C@@H](OCCCCCCCCCCO)C(=O)N 7a_100000731257_100009813290 [0,2,0,0,0,0|1,0,0]=3 7751 B16R0.224 C[C@H](NCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813290 [0,2,0,0,0,0|0,0,0]=2 7752 B16R0.224 C[C@H](O)C(=O)CCCCCCCCCCCO 1458a_217856618621_100009812471 [0,2,0,0,0,0|0,0,0]=2 7753 B16R0.224 C[C@H](O)C(=O)NCCCCCCCCCCO 240690a_100000066964_217856618621 [0,2,0,0,0,0|1,0,0]=3 7754 B16R0.224 C[C@H](OCCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813290 [0,2,0,0,0,0|0,0,1]=3 7755 B16R0.224 NC(=O)C(=O)NCCCCCCCCCCO 240690a_100000066964_100011215815 [0,2,0,0,0,0|1,0,1]=4 7756 B16R0.224 NC(=O)C(F)NCCCCCCCCCCO 2230a_100000066964_100009813875 [0,2,0,0,0,0|1,0,0]=3 7757 B16R0.224 NC(=O)C(F)NCCCCCCCCCCO 34a_100000066964_100009813875 [0,2,0,0,0,0|1,0,0]=3 7758 B16R0.224 NC(=O)C(F)OCCCCCCCCCCBr 34a_100009813290_100009813875 [0,2,0,0,0,0|2,0,0]=4 7759 B16R0.224 NC(=O)C(F)OCCCCCCCCCCBr 7a_100009813290_100009813875 [0,2,0,0,0,0|2,0,0]=4 7760 B16R0.224 NC(=O)C(F)OCCCCCCCCCCCl 34a_200000033068_100009813875 [0,2,0,0,0,0|2,0,0]=4 7761 B16R0.224 NC(=O)C(F)OCCCCCCCCCCCl 7a_200000033068_100009813875 [0,2,0,0,0,0|2,0,0]=4 7762 B16R0.224 NC(=O)C(F)SCCCCCCCCCCO 62a_100009813290_100009813875 [0,2,0,0,0,0|1,0,0]=3 7763 B16R0.224 NC(=O)C(F)SCCCCCCCCCCO 62a_100009813875_200000033068 [0,2,0,0,0,0|1,0,0]=3 7764 B16R0.224 NC(=O)[C@@H](N)COCCCCCCCCCO 34a_100000729942_100009813782 [0,2,0,0,0,0|1,0,0]=3 7765 B16R0.224 NCCCCCCCCCCOC(F)C(=O)N 34a_100000066964_100009813875 [0,2,0,0,0,0|2,0,0]=4 7766 B16R0.224 NCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000066964_100020610796 [0,2,0,0,0,0|1,0,1]=4 7767 B16R0.224 O=C(CCCCCCCCCCCO)C(O)O 1458a_100000233687_100009812471 [0,2,0,0,0,0|0,0,0]=2 7768 B16R0.224 O=C(NCCCCCCCCCCO)C(F)F 240690a_100000066964_100000210393 [0,2,0,0,0,0|2,0,0]=4 7769 B16R0.224 O=C(NCCCCCCCCCCO)C(O)O 240690a_100000066964_100000233687 [0,2,0,0,0,0|1,0,0]=3 7770 B16R0.224 O=C(O)C(F)CNCCCCCCCCCO 269956a_100000084737_100009813782 [0,2,0,0,0,0|0,0,0]=2 7771 B16R0.224 O=C([O-])C(F)NCCCCCCCCCCO 34a_100000066964_100020610796 [0,2,0,0,0,0|0,0,1]=3 7772 B16R0.224 O=C([O-])C(F)OCCCCCCCCCCBr 34a_100009813290_100020610796 [0,2,0,0,0,0|1,0,1]=4 7773 B16R0.224 O=C([O-])C(F)OCCCCCCCCCCCl 34a_200000033068_100020610796 [0,2,0,0,0,0|1,0,1]=4 7774 B16R0.224 O=C([O-])C(F)SCCCCCCCCCCO 62a_100009813290_100020610796 [0,2,0,0,0,0|0,0,1]=3 7775 B16R0.224 O=C([O-])C(F)SCCCCCCCCCCO 62a_100020610796_200000033068 [0,2,0,0,0,0|0,0,1]=3 7776 B16R0.806 CCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210303 [0,2,0,0,0,0|1,0,1]=4 7777 B16R0.806 CCCC(=O)CCCCCCCCC(=O)OC 1458a_100000211992_100010282707 [0,2,0,0,0,0|1,0,1]=4 7778 B16R0.806 CCCC(C)CCCOCCCCC(=O)OC 34a_100011713154_100000204269 [0,2,0,0,0,0|2,0,0]=4 7779 B16R0.806 CCCC(C)CCCOCCCCC(=O)OC 7a_100011713154_100000204269 [0,2,0,0,0,0|2,0,0]=4 7780 B16R0.806 CCCC(C)CCOCCCCCC(=O)OC 34a_100011217855_100009816466 [0,2,0,0,0,0|2,0,0]=4 7781 B16R0.806 CCCC(C)CCOCCCCCC(=O)OC 7a_100011217855_100009816466 [0,2,0,0,0,0|2,0,0]=4 7782 B16R0.806 CCCC(C)COCCCCCCC(=O)OC 34a_100000688023_100009815986 [0,2,0,0,0,0|2,0,0]=4 7783 B16R0.806 CCCC(C)COCCCCCCC(=O)OC 34a_100009863599_100011216630 [0,2,0,0,0,0|2,0,0]=4 7784 B16R0.806 CCCC(C)COCCCCCCC(=O)OC 7a_100000688023_100009815986 [0,2,0,0,0,0|2,0,0]=4 7785 B16R0.806 CCCC(C)COCCCCCCC(=O)OC 7a_100009863599_100011216630 [0,2,0,0,0,0|2,0,0]=4 7786 B16R0.806 CCCC(C)CSCCCCCCC(=O)OC 62a_100009815986_100011216630 [0,2,0,0,0,0|2,0,0]=4 7787 B16R0.806 CCCC(C)CSCCCCCCC(=O)OC 62a_100011216630_100009815986 [0,2,0,0,0,0|2,0,0]=4 7788 B16R0.806 CCCC(C)NCCCCCCCC(=O)OC 2230a_100000741246_100010004213 [0,2,0,0,0,0|2,0,0]=4 7789 B16R0.806 CCCC(C)OCCCCCCCC(=O)OC 34a_100000764384_100010004213 [0,2,0,0,0,0|2,0,0]=4 7790 B16R0.806 CCCC(C)OCCCCCCCC(=O)OC 34a_100011022521_100000766640 [0,2,0,0,0,0|2,0,0]=4 7791 B16R0.806 CCCC(C)OCCCCCCCC(=O)OC 7a_100000764384_100010004213 [0,2,0,0,0,0|2,0,0]=4 7792 B16R0.806 CCCC(C)OCCCCCCCC(=O)OC 7a_100011022521_100000766640 [0,2,0,0,0,0|2,0,0]=4 7793 B16R0.806 CCCC(C)SCCCCCCCC(=O)OC 62a_100000766640_100010004213 [0,2,0,0,0,0|2,0,0]=4 7794 B16R0.806 CCCC(C)SCCCCCCCC(=O)OC 62a_100010004213_100000766640 [0,2,0,0,0,0|2,0,0]=4 7795 B16R0.806 CCCN(C)CCCCCCCCC(=O)OC 2230a_100000747261_100010282707 [0,2,0,0,0,0|2,0,0]=4 7796 B16R0.806 CCCN(C)CCCCCCCCC(=O)OC 269982a_100000747261_100010282707 [0,2,0,0,0,0|2,0,0]=4 7797 B16R0.806 CCC[C@H](N)CCOCCCCCC(=O)OC 34a_100015193777_100009816466 [0,2,0,0,0,0|2,0,0]=4 7798 B16R0.806 CCC[C@H](N)COCCCCCCC(=O)OC 34a_100000732646_100009815986 [0,2,0,0,0,0|2,0,0]=4 7799 B16R0.806 COC(=O)CCCCCCCCC(=O)CCF 1458a_100000036616_100011217306 [0,2,0,0,0,0|1,0,1]=4 7800 B16R0.806 COC(=O)CCCCCCCCC(=O)CCO 1458a_100000036616_100000211926 [0,2,0,0,0,0|0,0,1]=3 7801 B16R0.806 COC(=O)CCCCCCCCC(=O)CCO 1458a_100011216618_100010282707 [0,2,0,0,0,0|0,0,1]=3 7802 B16R0.806 COC(=O)CCCCCCCCN(C)CCO 2230a_100000210263_100010282707 [0,2,0,0,0,0|1,0,0]=3 7803 B16R0.806 COC(=O)CCCCCCCCN(C)CCO 269982a_100000210263_100010282707 [0,2,0,0,0,0|1,0,0]=3 7804 B16R0.806 COC(=O)CCCCCCCN[C@H](C)CCO 2230a_100000706166_100010004213 [0,2,0,0,0,0|1,0,0]=3 7805 B16R0.806 COC(=O)CCCCCCCN[C@H](C)CCO 34a_100000706166_100010004213 [0,2,0,0,0,0|1,0,0]=3 7806 B16R0.806 COC(=O)CCCCCCCOC(C)CCBr 34a_100012276601_100010004213 [0,2,0,0,0,0|2,0,0]=4 7807 B16R0.806 COC(=O)CCCCCCCOC(C)CCO 34a_100011022521_100009893172 [0,2,0,0,0,0|1,0,0]=3 7808 B16R0.806 COC(=O)CCCCCCCOC(C)CCO 7a_100011022521_100009893172 [0,2,0,0,0,0|1,0,0]=3 7809 B16R0.806 COC(=O)CCCCCCCSC(C)CCO 62a_100009893172_100010004213 [0,2,0,0,0,0|1,0,0]=3 7810 B16R0.806 COC(=O)CCCCCCCSC(C)CCO 62a_100010004213_100009893172 [0,2,0,0,0,0|1,0,0]=3 7811 B16R0.806 COC(=O)CCCCCCOCC(C)CCN 34a_106354213184_100009815986 [0,2,0,0,0,0|2,0,0]=4 7812 B16R0.1817 CCCCCCCCC(=O)CCCC(=O)OC 1458a_100000210188_100011218270 [0,2,0,0,0,0|1,0,1]=4 7813 B16R0.1817 CCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210759 [0,2,0,0,0,0|1,0,1]=4 7814 B16R0.1817 CCCCCCCCC(C)COCC(=O)OC 34a_200012125181_100000747449 [0,2,0,0,0,0|2,0,0]=4 7815 B16R0.1817 CCCCCCCCC(C)COCC(=O)OC 7a_200012125181_100000747449 [0,2,0,0,0,0|2,0,0]=4 7816 B16R0.1817 CCCCCCCCC(C)OCCC(=O)OC 34a_100000210740_100000742370 [0,2,0,0,0,0|2,0,0]=4 7817 B16R0.1817 CCCCCCCCC(C)OCCC(=O)OC 7a_100000210740_100000204255 [0,2,0,0,0,0|2,0,0]=4 7818 B16R0.1817 CCCCCCCCN(C)CCCC(=O)OC 2230a_100000207567_100011218270 [0,2,0,0,0,0|2,0,0]=4 7819 B16R0.1817 CCCCCCCCN(C)CCCC(=O)OC 269982a_100000207567_100011218270 [0,2,0,0,0,0|2,0,0]=4 7820 B16R0.1817 CCCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210759 [0,2,0,0,0,0|2,0,0]=4 7821 B16R0.1817 CNC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100000741757 [0,2,0,0,0,0|1,0,1]=4 7822 B16R0.1817 COC(=O)CCCC(=O)CCCCCCCO 1458a_100000239890_100000760002 [0,2,0,0,0,0|0,0,1]=3 7823 B16R0.1817 COC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100011218270 [0,2,0,0,0,0|0,0,1]=3 7824 B16R0.1817 COC(=O)CCCC(=O)NCCCCCCO 240690a_100000686447_100000239890 [0,2,0,0,0,0|1,0,1]=4 7825 B16R0.1817 COC(=O)CCCC(=O)NCCCCCCO 527a_100000686447_100000239890 [0,2,0,0,0,0|1,0,1]=4 7826 B16R0.1817 COC(=O)CCCN(C)CCCCCCCO 269982a_100000739225_100000760002 [0,2,0,0,0,0|1,0,0]=3 7827 B16R0.1817 COC(=O)CCNC(=O)CCCCCCCO 188690a_100000683876_100011219782 [0,2,0,0,0,0|1,0,1]=4 7828 B16R0.1817 COC(=O)CSCC(=O)CCCCCCCO 1458a_100000191316_100000760002 [0,2,0,0,0,0|1,0,1]=4 7829 B16R0.3257 CCCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210326 [0,2,0,0,0,0|1,0,1]=4 7830 B16R0.3257 CCCCCC(=O)CCCCCCC(=O)OC 1458a_100000212188_100009815986 [0,2,0,0,0,0|1,0,1]=4 7831 B16R0.3257 CCCCCC(C)NCCCCCC(=O)OC 2230a_100000211957_100009816466 [0,2,0,0,0,0|2,0,0]=4 7832 B16R0.3257 CCCCCC(C)OCCCCCC(=O)OC 34a_100000074720_200011218191 [0,2,0,0,0,0|2,0,0]=4 7833 B16R0.3257 CCCCCC(C)OCCCCCC(=O)OC 34a_100011215632_100009816466 [0,2,0,0,0,0|2,0,0]=4 7834 B16R0.3257 CCCCCC(C)OCCCCCC(=O)OC 7a_100000074720_200011218191 [0,2,0,0,0,0|2,0,0]=4 7835 B16R0.3257 CCCCCC(C)OCCCCCC(=O)OC 7a_100011215632_100009816466 [0,2,0,0,0,0|2,0,0]=4 7836 B16R0.3257 CCCCCC(C)SCCCCCC(=O)OC 62a_100009816466_200011218191 [0,2,0,0,0,0|2,0,0]=4 7837 B16R0.3257 CCCCCC(C)SCCCCCC(=O)OC 62a_200011218191_100009816466 [0,2,0,0,0,0|2,0,0]=4 7838 B16R0.3257 CCCCCN(C)CCCCCCC(=O)OC 2230a_100000223495_100009815986 [0,2,0,0,0,0|2,0,0]=4 7839 B16R0.3257 CCCCCN(C)CCCCCCC(=O)OC 269982a_100000223495_100009815986 [0,2,0,0,0,0|2,0,0]=4 7840 B16R0.3257 COC(=O)CCCCCCC(=O)CCCCF 1458a_100000036694_100000729493 [0,2,0,0,0,0|1,0,1]=4 7841 B16R0.3257 COC(=O)CCCCCCC(=O)CCCCO 1458a_100000036694_100000210776 [0,2,0,0,0,0|0,0,1]=3 7842 B16R0.3257 COC(=O)CCCCCCC(=O)CCCCO 1458a_100000695505_100009815986 [0,2,0,0,0,0|0,0,1]=3 7843 B16R0.3257 COC(=O)CCCCCCC(=O)COCCO 1458a_100000708028_100009815986 [0,2,0,0,0,0|1,0,1]=4 7844 B16R0.3257 COC(=O)CCCCCCC(=O)NCCCO 240690a_100000182051_100000036694 [0,2,0,0,0,0|1,0,1]=4 7845 B16R0.3257 COC(=O)CCCCCCN(C)CCCCO 2230a_100000717598_100009815986 [0,2,0,0,0,0|1,0,0]=3 7846 B16R0.3257 COC(=O)CCCCCCN(C)CCCCO 269982a_100000717598_100009815986 [0,2,0,0,0,0|1,0,0]=3 7847 B16R0.3257 COC(=O)CCCCCNC(=O)CCCCO 188690a_100000184999_100000695505 [0,2,0,0,0,0|1,0,1]=4 7848 B16R0.3257 COC(=O)CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000204269 [0,2,0,0,0,0|2,0,0]=4 7849 B16R0.6606 CCCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210670 [0,2,0,0,0,0|1,0,1]=4 7850 B16R0.6606 CCCCCCCCCC(C)OCC(=O)OC 34a_100011218016_100000747449 [0,2,0,0,0,0|2,0,0]=4 7851 B16R0.6606 CCCCCCCCCC(C)OCC(=O)OC 7a_100011218016_100000747449 [0,2,0,0,0,0|2,0,0]=4 7852 B16R0.6606 CCCCCCCCCN(C)CCC(=O)OC 2230a_100000232482_100000204255 [0,2,0,0,0,0|2,0,0]=4 7853 B16R0.6606 CCCCCCCCCN(C)CCC(=O)OC 269982a_100000232482_100000204255 [0,2,0,0,0,0|2,0,0]=4 7854 B16R0.6606 CCCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210670 [0,2,0,0,0,0|2,0,0]=4 7855 B16R0.6606 CNC(=O)CCC(=O)CCCCCCCCO 1458a_100011309844_100000033203 [0,2,0,0,0,0|1,0,1]=4 7856 B16R0.6606 CNC(=O)CCN(C)CCCCCCCCO 2230a_100000750875_100000033203 [0,2,0,0,0,0|2,0,0]=4 7857 B16R0.6606 CNC(=O)CCN(C)CCCCCCCCO 269982a_100000750875_100000033203 [0,2,0,0,0,0|2,0,0]=4 7858 B16R0.6606 COC(=O)CCC(=O)CCCCCCCCO 1458a_100000187943_100000033203 [0,2,0,0,0,0|0,0,1]=3 7859 B16R0.6606 COC(=O)CCC(=O)CNCCCCCCO 2230a_100000686447_100000691467 [0,2,0,0,0,0|1,0,1]=4 7860 B16R0.6606 COC(=O)CCC(=O)CNCCCCCCO 34a_100000686447_100000691467 [0,2,0,0,0,0|1,0,1]=4 7861 B16R0.6606 COC(=O)CCC(=O)CSCCCCCCO 62a_100000691467_100000766143 [0,2,0,0,0,0|1,0,1]=4 7862 B16R0.6606 COC(=O)CCC(=O)CSCCCCCCO 62a_100000766143_100000691467 [0,2,0,0,0,0|1,0,1]=4 7863 B16R0.6606 COC(=O)CCC(=O)NCCCCCCCO 240690a_100011996573_100000187943 [0,2,0,0,0,0|1,0,1]=4 7864 B16R0.6606 COC(=O)CCN(C)CCCCCCCCO 269982a_100025711912_100000033203 [0,2,0,0,0,0|1,0,0]=3 7865 B16R0.6606 COC(=O)CNC(=O)CCCCCCCCO 188690a_100000185156_100000015970 [0,2,0,0,0,0|1,0,1]=4 7866 B16R0.6606 COC(=O)NCC(=O)CCCCCCCCO 1458a_100000215747_100000033203 [0,2,0,0,0,0|1,0,1]=4 7867 B16R0.223 CC(=O)C(C)(C)OCCCCCCCCCO 34a_100000747739_100009813782 [0,2,0,0,0,0|2,0,0]=4 7868 B16R0.223 CC(=O)C(C)(C)OCCCCCCCCCO 7a_100000747739_100009813782 [0,2,0,0,0,0|2,0,0]=4 7869 B16R0.223 CC(=O)C(C)(C)SCCCCCCCCCO 62a_100000075568_100009813782 [0,2,0,0,0,0|2,0,0]=4 7870 B16R0.223 CC(=O)C(C)(C)SCCCCCCCCCO 62a_100009813782_100000075568 [0,2,0,0,0,0|2,0,0]=4 7871 B16R0.223 CC(C)(CNCCCCCCCCO)C(=O)N 2230a_100000740840_100000033203 [0,2,0,0,0,0|2,0,0]=4 7872 B16R0.223 CC(C)(CNCCCCCCCCO)C(=O)N 34a_100000740840_100000033203 [0,2,0,0,0,0|2,0,0]=4 7873 B16R0.223 CC(C)(CNCCCCCCCCO)C(=O)N 34a_102515433106_200009895572 [0,2,0,0,0,0|2,0,0]=4 7874 B16R0.223 CC(C)(CNCCCCCCCCO)C(=O)O 269956a_100000693527_100000033203 [0,2,0,0,0,0|1,0,0]=3 7875 B16R0.223 CC(C)(CSCCCCCCCCO)C(=O)N 62a_100000033203_200009895572 [0,2,0,0,0,0|2,0,0]=4 7876 B16R0.223 CC(C)(CSCCCCCCCCO)C(=O)N 62a_200009895572_100000033203 [0,2,0,0,0,0|2,0,0]=4 7877 B16R0.223 CC(C)(NCCCCCCCCCO)C(=O)N 2230a_100000078944_100000702505 [0,2,0,0,0,0|2,0,0]=4 7878 B16R0.223 CC(C)(NCCCCCCCCCO)C(=O)N 2230a_100000743658_100009813782 [0,2,0,0,0,0|2,0,0]=4 7879 B16R0.223 CC(C)(NCCCCCCCCCO)C(=O)N 34a_100000078944_100000702505 [0,2,0,0,0,0|2,0,0]=4 7880 B16R0.223 CC(C)(NCCCCCCCCCO)C(=O)N 34a_100000743658_100009813782 [0,2,0,0,0,0|2,0,0]=4 7881 B16R0.223 CC(C)(OCCCCCCCCCO)C(=O)N 34a_100011626353_100009813782 [0,2,0,0,0,0|2,0,0]=4 7882 B16R0.223 CC(C)(OCCCCCCCCCO)C(=O)N 7a_100011626353_100009813782 [0,2,0,0,0,0|2,0,0]=4 7883 B16R0.223 CC(C)(ONCCCCCCCCO)C(=O)O 269956a_100016989451_100000033203 [0,2,0,0,0,0|2,0,0]=4 7884 B16R0.223 CC(C)(SCCCCCCCCCO)C(=O)N 62a_100000702505_100009813782 [0,2,0,0,0,0|2,0,0]=4 7885 B16R0.223 CC(C)(SCCCCCCCCCO)C(=O)N 62a_100009813782_100000702505 [0,2,0,0,0,0|2,0,0]=4 7886 B16R0.223 CCCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210670 [0,2,0,0,0,0|2,0,0]=4 7887 B16R0.223 CCCCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210670 [0,2,0,0,0,0|2,0,0]=4 7888 B16R0.223 NC(=O)C(F)(F)SCCCCCCCCCO 62a_100009811971_100009813782 [0,2,0,0,0,0|2,0,0]=4 7889 B16R0.223 NC(=O)C(F)(F)SCCCCCCCCCO 62a_100009813782_100009811971 [0,2,0,0,0,0|2,0,0]=4 7890 B16R0.223 O=C(O)C(F)(F)CNCCCCCCCCO 269956a_100000734215_100000033203 [0,2,0,0,0,0|1,0,0]=3 7891 B16R0.223 O=C([O-])C(F)(F)NCCCCCCCCCO 34a_100000078944_100020612412 [0,2,0,0,0,0|1,0,1]=4 7892 B16R0.223 O=C([O-])C(F)(F)SCCCCCCCCCO 62a_100000745680_100009813782 [0,2,0,0,0,0|1,0,1]=4 7893 B16R0.223 O=C([O-])C(F)(F)SCCCCCCCCCO 62a_100009813782_100000745680 [0,2,0,0,0,0|1,0,1]=4 7894 B16R0.656 C=C[C@H](NCCCCCCCCCC)C(=O)O 269956a_100016992060_100000210320 [0,2,0,0,0,0|2,0,0]=4 7895 B16R0.656 C=C[C@H](NCCCCCCCCCO)C(=O)O 269956a_100016992060_100009813782 [0,2,0,0,0,0|1,0,0]=3 7896 B16R0.656 CCC(NCCCCCCCCCO)C(=O)N 2230a_100000078944_100000750255 [0,2,0,0,0,0|2,0,0]=4 7897 B16R0.656 CCC(NCCCCCCCCCO)C(=O)N 2230a_100000733705_100009813782 [0,2,0,0,0,0|2,0,0]=4 7898 B16R0.656 CCC(NCCCCCCCCCO)C(=O)N 34a_100000078944_100000750255 [0,2,0,0,0,0|2,0,0]=4 7899 B16R0.656 CCC(NCCCCCCCCCO)C(=O)N 34a_100000733705_100009813782 [0,2,0,0,0,0|2,0,0]=4 7900 B16R0.656 CCC(SCCCCCCCCCO)C(=O)N 62a_100000750255_100009813782 [0,2,0,0,0,0|2,0,0]=4 7901 B16R0.656 CCC(SCCCCCCCCCO)C(=O)N 62a_100009813782_100000750255 [0,2,0,0,0,0|2,0,0]=4 7902 B16R0.656 CCCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210320 [0,2,0,0,0,0|2,0,0]=4 7903 B16R0.656 CCCCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210320 [0,2,0,0,0,0|2,0,0]=4 7904 B16R0.656 CC[C@@H](NCCCCCCCCCO)C(=O)O 269956a_100000747097_100009813782 [0,2,0,0,0,0|1,0,0]=3 7905 B16R0.656 N#CC(NCCCCCCCCCO)C(=O)N 2230a_100000039599_100009813782 [0,2,0,0,0,0|2,0,0]=4 7906 B16R0.656 NC(=O)[C@H](CO)NCCCCCCCCCO 2230a_100000729942_100009813782 [0,2,0,0,0,0|2,0,0]=4 7907 B16R0.656 NC(=O)[C@H](CO)NCCCCCCCCCO 34a_100000729942_100009813782 [0,2,0,0,0,0|2,0,0]=4 7908 B16R0.656 O=C(O)C(CO)NCCCCCCCCCO 269956a_100000187304_100009813782 [0,2,0,0,0,0|1,0,0]=3 7909 B16R0.1192 CCN(CCCCCCCCO)CCC(=O)N 2230a_100020645749_100000033203 [0,2,0,0,0,0|2,0,0]=4 7910 B16R0.3183 C=C(C)CCC(=O)CCCCCCCCCO 1458a_200000688413_100009813782 [0,2,0,0,0,0|2,0,0]=4 7911 B16R0.3183 C=C(C)CCC(C)NCCCCCCCCO 270004a_102515433106_100011215600 [0,2,0,0,0,0|2,0,0]=4 7912 B16R0.3183 CC(=O)NCC(=O)CCCCCCCCCO 1458a_100000194580_100009813782 [0,2,0,0,0,0|1,0,1]=4 7913 B16R0.3183 CC(=O)OCC(=O)CCCCCCCCCO 1458a_100000183556_100009813782 [0,2,0,0,0,0|1,0,1]=4 7914 B16R0.3183 CC(=O)OCC(C)NCCCCCCCCO 270004a_102515433106_100000000629 [0,2,0,0,0,0|2,0,0]=4 7915 B16R0.3183 CC(=O)OCC(O)CNCCCCCCCO 34a_100011996573_200000139349 [0,2,0,0,0,0|2,0,0]=4 7916 B16R0.3183 CC(=O)OCC(O)CSCCCCCCCO 62a_100000760002_200000139349 [0,2,0,0,0,0|2,0,0]=4 7917 B16R0.3183 CC(=O)OCC(O)CSCCCCCCCO 62a_200000139349_100000760002 [0,2,0,0,0,0|2,0,0]=4 7918 B16R0.3183 CC(=O)SCC(=O)CCCCCCCCCO 1458a_100000049016_100009813782 [0,2,0,0,0,0|1,0,1]=4 7919 B16R0.3183 CC(=O)SCC(C)CNCCCCCCCO 2230a_100011996573_200000116872 [0,2,0,0,0,0|2,0,0]=4 7920 B16R0.3183 CC(=O)SCC(C)CNCCCCCCCO 34a_100011996573_200000116872 [0,2,0,0,0,0|2,0,0]=4 7921 B16R0.3183 CC(=O)SCC(C)CSCCCCCCCO 62a_100000760002_200000116872 [0,2,0,0,0,0|2,0,0]=4 7922 B16R0.3183 CC(=O)SCC(C)CSCCCCCCCO 62a_200000116872_100000760002 [0,2,0,0,0,0|2,0,0]=4 7923 B16R0.3183 CCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210319 [0,2,0,0,0,0|2,0,0]=4 7924 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 34a_100011215000_100000187820 [0,2,0,0,0,0|2,0,0]=4 7925 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 7a_100011215000_100000187820 [0,2,0,0,0,0|2,0,0]=4 7926 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)[O-] 34a_100011215000_100020667443 [0,2,0,0,0,0|1,0,1]=4 7927 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)C 269982a_100000207566_100000053229 [0,2,0,0,0,0|2,0,0]=4 7928 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000207566_100000744528 [0,2,0,0,0,0|2,0,0]=4 7929 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210320 [0,2,0,0,0,0|2,0,0]=4 7930 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 269982a_100000207566_100000744528 [0,2,0,0,0,0|2,0,0]=4 7931 B16R0.3183 CN(CCCCCCCCCO)CCC(=O)N 2230a_100000730477_100009813782 [0,2,0,0,0,0|1,0,0]=3 7932 B16R0.3183 NC(=O)CCC(=O)CCCCCCCCCO 1458a_100011215257_100009813782 [0,2,0,0,0,0|1,0,0]=3 7933 B16R0.3183 NC(=O)CCC(=O)NCCCCCCCCO 240690a_102515433106_100011215257 [0,2,0,0,0,0|1,0,1]=4 7934 B16R0.3183 NC(=O)CNC(=O)CCCCCCCCCO 240690a_100000711301_100000032657 [0,2,0,0,0,0|1,0,1]=4 7935 B16R0.3183 NC(=O)NCC(=O)CCCCCCCCCO 1458a_100000184981_100009813782 [0,2,0,0,0,0|1,0,1]=4 7936 B16R0.3183 O=C(CCCCCCCCCO)CC[N+](=O)[O-] 1458a_200000064761_100009813782 [0,2,0,0,0,0|1,0,1]=4 7937 B16R0.3183 O=C(O)CNC(=O)CCNCCCCCCO 269956a_100000722369_100000766143 [0,2,0,0,0,0|1,0,1]=4 7938 B16R0.3183 O=C(O)CNC(=O)CNCCCCCCCO 269956a_100000183575_100000760002 [0,2,0,0,0,0|1,0,1]=4 7939 B16R0.131 CC(=O)OCCCCCNC[C@H](C)CCCO 2230a_100160569302_100009813381 [0,2,0,0,0,0|2,0,0]=4 7940 B16R0.131 CC(=O)OCCCCCNC[C@H](C)CCCO 34a_100160569302_100000033007 [0,2,0,0,0,0|2,0,0]=4 7941 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 34a_200011021034_100000685027 [0,2,0,0,0,0|2,0,0]=4 7942 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 7a_200011021034_100011215641 [0,2,0,0,0,0|2,0,0]=4 7943 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 34a_200011021034_100102525003 [0,2,0,0,0,0|2,0,0]=4 7944 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 7a_200011021034_100102525003 [0,2,0,0,0,0|2,0,0]=4 7945 B16R0.131 C[C@H](CCCO)CNCCCCCCB(O)O 2230a_100160569302_100009817187 [0,2,0,0,0,0|1,0,1]=4 7946 B16R0.131 C[C@H](CCCO)CNCCCCCCB(O)O 34a_100160569302_100009817187 [0,2,0,0,0,0|1,0,1]=4 7947 B16R0.75 CCCCCCCC(C)N(C)CCCC(=O)O 269956a_100000719178_200011218727 [0,2,0,0,0,0|2,0,0]=4 7948 B16R0.1820 CC(=O)CCCCC(=O)CCCCCCCO 1458a_100011219782_100000735457 [0,2,0,0,0,0|1,0,0]=3 7949 B16R0.1820 CC(=O)NCCCC(=O)CCCCCCCO 1458a_100000194741_100000760002 [0,2,0,0,0,0|1,0,1]=4 7950 B16R0.1820 CC(=O)OCCCC(=O)CCCCCCCO 1458a_100011219782_100000042594 [0,2,0,0,0,0|1,0,1]=4 7951 B16R0.1820 CC(=O)SCCCC(=O)CCCCCCCO 1458a_100011219782_100000038929 [0,2,0,0,0,0|1,0,1]=4 7952 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210188_100000735457 [0,2,0,0,0,0|2,0,0]=4 7953 B16R0.1820 CCCCCCCCC(C)COCCC(=O)C 7a_200012125181_100000053229 [0,2,0,0,0,0|2,0,0]=4 7954 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 34a_200012125181_100000731001 [0,2,0,0,0,0|2,0,0]=4 7955 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 7a_200012125181_100000744528 [0,2,0,0,0,0|2,0,0]=4 7956 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 34a_100000210740_100000685027 [0,2,0,0,0,0|2,0,0]=4 7957 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 7a_100000210740_100011215641 [0,2,0,0,0,0|2,0,0]=4 7958 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 34a_100000210740_100102525003 [0,2,0,0,0,0|2,0,0]=4 7959 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 7a_100000210740_100102525003 [0,2,0,0,0,0|2,0,0]=4 7960 B16R0.1820 CCCCCCCCN(C)CCCCC(=O)C 269982a_100000207567_100000735457 [0,2,0,0,0,0|2,0,0]=4 7961 B16R0.1820 NC(=O)CCCNC(=O)CCCCCCCO 240690a_100000739312_100011219782 [0,2,0,0,0,0|1,0,1]=4 7962 B16R0.1820 NC(=O)COCCC(=O)CCCCCCCO 1458a_100011219782_100000076697 [0,2,0,0,0,0|1,0,1]=4 7963 B16R0.1820 NC(=O)CSCCC(=O)CCCCCCCO 1458a_100000148550_100000760002 [0,2,0,0,0,0|1,0,1]=4 7964 B16R0.1820 O=C(CCCCCCCO)CCCCB(O)O 1458a_100011219782_200009817182 [0,2,0,0,0,0|1,0,1]=4 7965 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 34a_100011713154_100009817443 [0,2,0,0,0,0|2,0,0]=4 7966 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 7a_100011713154_100009817443 [0,2,0,0,0,0|2,0,0]=4 7967 B16R0.114 CC(=O)OCCCCC(=O)CCCCCCO 1458a_100011996774_100000033659 [0,2,0,0,0,0|1,0,1]=4 7968 B16R0.114 CC(=O)SCCCCC(=O)CCCCCCO 1458a_100011996774_200010402107 [0,2,0,0,0,0|1,0,1]=4 7969 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)N 1458a_100000211969_100009817443 [0,2,0,0,0,0|2,0,0]=4 7970 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210596 [0,2,0,0,0,0|2,0,0]=4 7971 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218727 [0,2,0,0,0,0|2,0,0]=4 7972 B16R0.114 CCCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218727 [0,2,0,0,0,0|2,0,0]=4 7973 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 34a_200011215852_100009817362 [0,2,0,0,0,0|2,0,0]=4 7974 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 7a_200011215852_100000735457 [0,2,0,0,0,0|2,0,0]=4 7975 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218727 [0,2,0,0,0,0|2,0,0]=4 7976 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218727 [0,2,0,0,0,0|2,0,0]=4 7977 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 2230a_100000228206_100009817443 [0,2,0,0,0,0|2,0,0]=4 7978 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 269982a_100000228206_100009817443 [0,2,0,0,0,0|2,0,0]=4 7979 B16R0.114 COCCCCCC(=O)CCCCCC(=O)N 1458a_100011935119_100009817443 [0,2,0,0,0,0|1,0,1]=4 7980 B16R0.114 NC(=O)CCCCCC(=O)CCCCCCO 1458a_100011996774_100009817443 [0,2,0,0,0,0|1,0,0]=3 7981 B16R0.114 NC(=O)CCCCNC(=O)CCCCCCO 240690a_100000696515_100011996774 [0,2,0,0,0,0|1,0,1]=4 7982 B16R0.114 O=C(CCCCCCO)CCCCCB(O)O 1458a_100011996774_200009817188 [0,2,0,0,0,0|1,0,1]=4 7983 B16R0.114 O=C(CCCCCCO)CCCCC[N+](=O)[O-] 1458a_100000043470_100000766143 [0,2,0,0,0,0|1,0,1]=4 7984 B16R0.177 CC(=O)NCCCCCC(=O)CCCCCO 1458a_100000183861_100000746330 [0,2,0,0,0,0|1,0,1]=4 7985 B16R0.177 CC(=O)OCCCCCC(=O)CCCCCO 1458a_100102619762_100000033007 [0,2,0,0,0,0|1,0,1]=4 7986 B16R0.177 CC(=O)OCCCCCN(C)CCCCCO 2230a_100000722520_100009813381 [0,2,0,0,0,0|2,0,0]=4 7987 B16R0.177 CC(=O)OCCCCCN(C)CCCCCO 269982a_100000722520_100000033007 [0,2,0,0,0,0|2,0,0]=4 7988 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 34a_200011024964_100000685027 [0,2,0,0,0,0|2,0,0]=4 7989 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 7a_200011024964_100011215641 [0,2,0,0,0,0|2,0,0]=4 7990 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 34a_200011024964_100102525003 [0,2,0,0,0,0|2,0,0]=4 7991 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 7a_200011024964_100102525003 [0,2,0,0,0,0|2,0,0]=4 7992 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 2230a_100000210919_100009817443 [0,2,0,0,0,0|2,0,0]=4 7993 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 34a_100000210919_100009817443 [0,2,0,0,0,0|2,0,0]=4 7994 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000123541_100011215978 [0,2,0,0,0,0|2,0,0]=4 7995 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000210265_100009817443 [0,2,0,0,0,0|2,0,0]=4 7996 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000123541_100011215978 [0,2,0,0,0,0|2,0,0]=4 7997 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000210265_100009817443 [0,2,0,0,0,0|2,0,0]=4 7998 B16R0.177 CCCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100011215978 [0,2,0,0,0,0|1,0,1]=4 7999 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100009817443_100011215978 [0,2,0,0,0,0|2,0,0]=4 8000 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100011215978_100009817443 [0,2,0,0,0,0|2,0,0]=4 8001 B16R0.177 CN(CCCCCO)CCCCCCB(O)O 2230a_100000722520_100009817187 [0,2,0,0,0,0|1,0,1]=4 8002 B16R0.177 CN(CCCCCO)CCCCCCB(O)O 269982a_100000722520_100009817187 [0,2,0,0,0,0|1,0,1]=4 8003 B16R0.177 O=C(CCCCCO)CCCCCCB(O)O 1458a_100102619762_100009817187 [0,2,0,0,0,0|1,0,1]=4 8004 B16R0.274 C#CCCCCCCCCCCOCC(=O)N 34a_100000054667_100000187820 [0,2,0,0,0,0|2,0,0]=4 8005 B16R0.274 C#CCCCCCCCCCCOCC(=O)N 7a_100000054667_100000187820 [0,2,0,0,0,0|2,0,0]=4 8006 B16R0.274 C#CCCCCCCCCCCOCC(=O)[O-] 34a_100000054667_100020667443 [0,2,0,0,0,0|1,0,1]=4 8007 B16R0.274 C#CCCCCCCCCCOCCC(=O)C 7a_100000034437_100000053229 [0,2,0,0,0,0|2,0,0]=4 8008 B16R0.274 C#CCCCCCCCCCOCCC(=O)N 34a_100000034437_100000731001 [0,2,0,0,0,0|2,0,0]=4 8009 B16R0.274 C#CCCCCCCCCCOCCC(=O)N 7a_100000034437_100000744528 [0,2,0,0,0,0|2,0,0]=4 8010 B16R0.274 C#CCCCCCCCCOCCCC(=O)C 34a_100000065265_100000685027 [0,2,0,0,0,0|2,0,0]=4 8011 B16R0.274 C#CCCCCCCCCOCCCC(=O)C 7a_100000065265_100011215641 [0,2,0,0,0,0|2,0,0]=4 8012 B16R0.274 C#CCCCCCCCCOCCCC(=O)N 34a_100000065265_100102525003 [0,2,0,0,0,0|2,0,0]=4 8013 B16R0.274 C#CCCCCCCCCOCCCC(=O)N 7a_100000065265_100102525003 [0,2,0,0,0,0|2,0,0]=4 8014 B16R0.274 C#CCCCCCCCNCCCCC(=O)N 34a_100000696515_100153394163 [0,2,0,0,0,0|2,0,0]=4 8015 B16R0.274 C#CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100153394163 [0,2,0,0,0,0|1,0,1]=4 8016 B16R0.274 C#CCCCCCCCOCCCCC(=O)C 34a_100000054614_100009817362 [0,2,0,0,0,0|2,0,0]=4 8017 B16R0.274 C#CCCCCCCCOCCCCC(=O)C 7a_100000054614_100000735457 [0,2,0,0,0,0|2,0,0]=4 8018 B16R0.274 C#CCCCCCCCOCCCCC(=O)N 34a_100012022536_100153394163 [0,2,0,0,0,0|2,0,0]=4 8019 B16R0.274 C#CCCCCCCCOCCCCC(=O)N 7a_100012022536_100153394163 [0,2,0,0,0,0|2,0,0]=4 8020 B16R0.274 C#CCCCCCCCSCCCCC(=O)C 62a_100000735457_100153394163 [0,2,0,0,0,0|2,0,0]=4 8021 B16R0.274 C#CCCCCCCCSCCCCC(=O)C 62a_100153394163_100000735457 [0,2,0,0,0,0|2,0,0]=4 8022 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 34a_100000123541_100012276617 [0,2,0,0,0,0|2,0,0]=4 8023 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 34a_100011217361_100009817443 [0,2,0,0,0,0|2,0,0]=4 8024 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 7a_100000123541_100012276617 [0,2,0,0,0,0|2,0,0]=4 8025 B16R0.274 C#CCCCCCCOCCCCCC(=O)N 7a_100011217361_100009817443 [0,2,0,0,0,0|2,0,0]=4 8026 B16R0.274 C#CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012276617 [0,2,0,0,0,0|1,0,1]=4 8027 B16R0.274 C#CCCCCCCSCCCCCC(=O)N 62a_100009817443_100012276617 [0,2,0,0,0,0|2,0,0]=4 8028 B16R0.274 C#CCCCCCCSCCCCCC(=O)N 62a_100012276617_100009817443 [0,2,0,0,0,0|2,0,0]=4 8029 B16R0.274 C#CCNCCCCCCCCCCC(=O)N 34a_100000212058_200010167045 [0,2,0,0,0,0|2,0,0]=4 8030 B16R0.274 C#CCOCCCCCCCCCCC(=O)N 34a_100000210247_200010167045 [0,2,0,0,0,0|2,0,0]=4 8031 B16R0.274 C#CCSCCCCCCCCCCC(=O)N 62a_100000038162_200010167045 [0,2,0,0,0,0|2,0,0]=4 8032 B16R0.274 C=C(Br)CCOCCCCCCCCCCO 34a_100009813270_100009813290 [0,2,0,0,0,0|2,0,0]=4 8033 B16R0.274 C=C(C)CCNCCCCCCCCCCO 2230a_100000066964_100000730704 [0,2,0,0,0,0|2,0,0]=4 8034 B16R0.274 C=C(C)CCNCCCCCCCCCCO 34a_100000066964_100000730704 [0,2,0,0,0,0|2,0,0]=4 8035 B16R0.274 C=C(C)CCOCCCCCCCCCCO 34a_100000764851_100009813290 [0,2,0,0,0,0|2,0,0]=4 8036 B16R0.274 C=C(C)CCSCCCCCCCCCCO 62a_100000730704_200000033068 [0,2,0,0,0,0|2,0,0]=4 8037 B16R0.274 C=C(C)CCSCCCCCCCCCCO 62a_100009813290_100000730704 [0,2,0,0,0,0|2,0,0]=4 8038 B16R0.274 C=C(C)COCCCCCCCCCCCO 34a_100000210245_100009812471 [0,2,0,0,0,0|2,0,0]=4 8039 B16R0.274 C=C(C)CSCCCCCCCCCCCO 62a_100009812471_100000211660 [0,2,0,0,0,0|2,0,0]=4 8040 B16R0.274 C=C(F)COCCCCCCCCCCCO 34a_200010262243_100009812471 [0,2,0,0,0,0|2,0,0]=4 8041 B16R0.274 C=C(F)CSCCCCCCCCCCCO 62a_100009812471_100000042424 [0,2,0,0,0,0|2,0,0]=4 8042 B16R0.274 C=CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011093070 [0,2,0,0,0,0|2,0,0]=4 8043 B16R0.274 C=CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011093070 [0,2,0,0,0,0|1,0,0]=3 8044 B16R0.274 C=CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011093070 [0,2,0,0,0,0|2,0,0]=4 8045 B16R0.274 C=CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011093070 [0,2,0,0,0,0|2,0,0]=4 8046 B16R0.274 C=CCCCCCCCCCCSCC(=O)N 62a_100011093070_100000747473 [0,2,0,0,0,0|2,0,0]=4 8047 B16R0.274 C=CCCCCCCCCCCSCC(=O)[O-] 62a_100011093070_100020667443 [0,2,0,0,0,0|1,0,1]=4 8048 B16R0.274 C=CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011093070 [0,2,0,0,0,0|1,0,1]=4 8049 B16R0.274 C=CCCCCCCCCCNCCC(=O)N 2230a_100000081888_100000744528 [0,2,0,0,0,0|2,0,0]=4 8050 B16R0.274 C=CCCCCCCCCCNCCC(=O)N 34a_100000081888_100000731001 [0,2,0,0,0,0|2,0,0]=4 8051 B16R0.274 C=CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100009814027 [0,2,0,0,0,0|1,0,1]=4 8052 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 34a_100000759926_100009814027 [0,2,0,0,0,0|2,0,0]=4 8053 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000038209_100000053229 [0,2,0,0,0,0|2,0,0]=4 8054 B16R0.274 C=CCCCCCCCCCOCCC(=O)C 7a_100000759926_100009814027 [0,2,0,0,0,0|2,0,0]=4 8055 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 34a_100000038209_100000731001 [0,2,0,0,0,0|2,0,0]=4 8056 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 34a_100000757172_100009814027 [0,2,0,0,0,0|2,0,0]=4 8057 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 7a_100000038209_100000744528 [0,2,0,0,0,0|2,0,0]=4 8058 B16R0.274 C=CCCCCCCCCCOCCC(=O)N 7a_100000757172_100009814027 [0,2,0,0,0,0|2,0,0]=4 8059 B16R0.274 C=CCCCCCCCCCSCCC(=O)N 62a_100000744528_100009814027 [0,2,0,0,0,0|2,0,0]=4 8060 B16R0.274 C=CCCCCCCCCCSCCC(=O)N 62a_100009814027_100000744528 [0,2,0,0,0,0|2,0,0]=4 8061 B16R0.274 C=CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011933949 [0,2,0,0,0,0|2,0,0]=4 8062 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011933949 [0,2,0,0,0,0|2,0,0]=4 8063 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 34a_100011215194_100000685027 [0,2,0,0,0,0|2,0,0]=4 8064 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 7a_100000759063_100011933949 [0,2,0,0,0,0|2,0,0]=4 8065 B16R0.274 C=CCCCCCCCCOCCCC(=O)C 7a_100011215194_100011215641 [0,2,0,0,0,0|2,0,0]=4 8066 B16R0.274 C=CCCCCCCCCOCCCC(=O)N 34a_100011215194_100102525003 [0,2,0,0,0,0|2,0,0]=4 8067 B16R0.274 C=CCCCCCCCCOCCCC(=O)N 7a_100011215194_100102525003 [0,2,0,0,0,0|2,0,0]=4 8068 B16R0.274 C=CCCCCCCCCSCCCC(=O)N 62a_100011933949_100102525003 [0,2,0,0,0,0|2,0,0]=4 8069 B16R0.274 C=CCCCCCCCCSCCCC(=O)N 62a_100102525003_100011933949 [0,2,0,0,0,0|2,0,0]=4 8070 B16R0.274 C=CCCCCCCCNCCCCC(=O)N 34a_100000696515_100012355270 [0,2,0,0,0,0|2,0,0]=4 8071 B16R0.274 C=CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100012355270 [0,2,0,0,0,0|1,0,1]=4 8072 B16R0.274 C=CCCCCCCCOCCCCC(=O)C 34a_100000730831_100009817362 [0,2,0,0,0,0|2,0,0]=4 8073 B16R0.274 C=CCCCCCCCOCCCCC(=O)C 7a_100000730831_100000735457 [0,2,0,0,0,0|2,0,0]=4 8074 B16R0.274 C=CCCCCCCCOCCCCC(=O)N 34a_100012022536_100012355270 [0,2,0,0,0,0|2,0,0]=4 8075 B16R0.274 C=CCCCCCCCOCCCCC(=O)N 7a_100012022536_100012355270 [0,2,0,0,0,0|2,0,0]=4 8076 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 34a_100000123541_100011215473 [0,2,0,0,0,0|2,0,0]=4 8077 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 34a_200011216477_100009817443 [0,2,0,0,0,0|2,0,0]=4 8078 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 7a_100000123541_100011215473 [0,2,0,0,0,0|2,0,0]=4 8079 B16R0.274 C=CCCCCCCOCCCCCC(=O)N 7a_200011216477_100009817443 [0,2,0,0,0,0|2,0,0]=4 8080 B16R0.274 C=CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215473 [0,2,0,0,0,0|1,0,1]=4 8081 B16R0.274 C=CCCCCCCSCCCCCC(=O)N 62a_100009817443_100011215473 [0,2,0,0,0,0|2,0,0]=4 8082 B16R0.274 C=CCCCCCCSCCCCCC(=O)N 62a_100011215473_100009817443 [0,2,0,0,0,0|2,0,0]=4 8083 B16R0.274 C=CCNCCCCCCCCCCC(=O)N 2230a_100020586998_200010167045 [0,2,0,0,0,0|2,0,0]=4 8084 B16R0.274 C=CCOCCCCCCCCCCC(=O)N 34a_200000210373_200010167045 [0,2,0,0,0,0|2,0,0]=4 8085 B16R0.274 C=CCSCCCCCCCCCCC(=O)N 62a_100000210623_200010167045 [0,2,0,0,0,0|2,0,0]=4 8086 B16R0.274 C=CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210623 [0,2,0,0,0,0|2,0,0]=4 8087 B16R0.274 CC(=CCCNCCCCCCCCCO)C 2230a_100000078944_100011217483 [0,2,0,0,0,0|2,0,0]=4 8088 B16R0.274 CC(=CCCNCCCCCCCCCO)C 34a_100000078944_100011217483 [0,2,0,0,0,0|2,0,0]=4 8089 B16R0.274 CC(=CCCSCCCCCCCCCO)C 62a_100009813782_100011217483 [0,2,0,0,0,0|2,0,0]=4 8090 B16R0.274 CC(=CCCSCCCCCCCCCO)C 62a_100011217483_100009813782 [0,2,0,0,0,0|2,0,0]=4 8091 B16R0.274 CC(=CCNCCCCCCCCCCO)C 2230a_100000066964_100000761012 [0,2,0,0,0,0|2,0,0]=4 8092 B16R0.274 CC(=CCNCCCCCCCCCCO)C 34a_100000066964_100000761012 [0,2,0,0,0,0|2,0,0]=4 8093 B16R0.274 CC(=CCNCCCCCCCCCCO)C 34a_100000718196_100009813290 [0,2,0,0,0,0|2,0,0]=4 8094 B16R0.274 CC(=CCOCCCCCCCCCCO)C 34a_100000753907_100009813290 [0,2,0,0,0,0|2,0,0]=4 8095 B16R0.274 CC(=CCSCCCCCCCCCCO)C 62a_100000761012_200000033068 [0,2,0,0,0,0|2,0,0]=4 8096 B16R0.274 CC(=CCSCCCCCCCCCCO)C 62a_100009813290_100000761012 [0,2,0,0,0,0|2,0,0]=4 8097 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [0,2,0,0,0,0|1,0,0]=3 8098 B16R0.274 CC(=O)CCCCNCCCCCCCCO 34a_102515433106_100009817362 [0,2,0,0,0,0|1,0,0]=3 8099 B16R0.274 CC(=O)CCCCNCCOCCOCCO 34a_100011998139_100009817362 [0,2,0,0,0,0|2,0,0]=4 8100 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100009817362 [0,2,0,0,0,0|2,0,0]=4 8101 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000735457 [0,2,0,0,0,0|2,0,0]=4 8102 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100009817362 [0,2,0,0,0,0|2,0,0]=4 8103 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000735457 [0,2,0,0,0,0|2,0,0]=4 8104 B16R0.274 CC(=O)CCCCOCCCCCCCCN 34a_102515433106_100009817362 [0,2,0,0,0,0|2,0,0]=4 8105 B16R0.274 CC(=O)CCCCOCCCCCNCCN 34a_103619048469_100009817362 [0,2,0,0,0,0|2,0,0]=4 8106 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000735457 [0,2,0,0,0,0|1,0,0]=3 8107 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000735457_100000033203 [0,2,0,0,0,0|1,0,0]=3 8108 B16R0.274 CC(=O)CCCCSCCOCCOCCO 62a_100000032323_100000735457 [0,2,0,0,0,0|2,0,0]=4 8109 B16R0.274 CC(=O)CCCCSCCOCCOCCO 62a_100000735457_100000032323 [0,2,0,0,0,0|2,0,0]=4 8110 B16R0.274 CC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000685027 [0,2,0,0,0,0|1,0,0]=3 8111 B16R0.274 CC(=O)CCCNCCCOCCOCCO 34a_100011996194_100000685027 [0,2,0,0,0,0|2,0,0]=4 8112 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000685027 [0,2,0,0,0,0|2,0,0]=4 8113 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011215641 [0,2,0,0,0,0|2,0,0]=4 8114 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000685027 [0,2,0,0,0,0|2,0,0]=4 8115 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011215641 [0,2,0,0,0,0|2,0,0]=4 8116 B16R0.274 CC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000685027 [0,2,0,0,0,0|2,0,0]=4 8117 B16R0.274 CC(=O)CCCOCCCCCCCCCO 34a_100000759063_100009813782 [0,2,0,0,0,0|1,0,0]=3 8118 B16R0.274 CC(=O)CCCOCCCCCCCCCO 7a_100000759063_100009813782 [0,2,0,0,0,0|1,0,0]=3 8119 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011215641 [0,2,0,0,0,0|1,0,0]=3 8120 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100011215641_100009813782 [0,2,0,0,0,0|1,0,0]=3 8121 B16R0.274 CC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000053229 [0,2,0,0,0,0|2,0,0]=4 8122 B16R0.274 CC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000053229 [0,2,0,0,0,0|2,0,0]=4 8123 B16R0.274 CC(=O)CCOCCCCCCCCCCO 34a_100000759926_100009813290 [0,2,0,0,0,0|1,0,0]=3 8124 B16R0.274 CC(=O)CCOCCCCCCCCCCO 7a_100000759926_100009813290 [0,2,0,0,0,0|1,0,0]=3 8125 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100000053229_200000033068 [0,2,0,0,0,0|1,0,0]=3 8126 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000053229 [0,2,0,0,0,0|1,0,0]=3 8127 B16R0.274 CC(=O)COCCCCCCCCCCCO 34a_100000211253_100009812471 [0,2,0,0,0,0|1,0,0]=3 8128 B16R0.274 CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100015343762 [0,2,0,0,0,0|1,0,0]=3 8129 B16R0.274 CC(=O)NCCCCCCNCCCCCF 2230a_200011996284_100000729378 [0,2,0,0,0,0|2,0,0]=4 8130 B16R0.274 CC(=O)NCCCCCCNCCCCCF 34a_200011996284_100000729378 [0,2,0,0,0,0|2,0,0]=4 8131 B16R0.274 CC(=O)NCCCCCCNCCCCCO 2230a_200011996284_100000746330 [0,2,0,0,0,0|1,0,0]=3 8132 B16R0.274 CC(=O)NCCCCCCNCCCCCO 34a_200011996284_100000746330 [0,2,0,0,0,0|1,0,0]=3 8133 B16R0.274 CC(=O)NCCCCCCNCCOCCO 2230a_200011996284_100011215305 [0,2,0,0,0,0|2,0,0]=4 8134 B16R0.274 CC(=O)NCCCCCCNCCOCCO 34a_200011996284_100000692535 [0,2,0,0,0,0|2,0,0]=4 8135 B16R0.274 CC(=O)NCCCCCNCCCCCCF 2230a_200012022750_100015922095 [0,2,0,0,0,0|2,0,0]=4 8136 B16R0.274 CC(=O)NCCCCCNCCCCCCF 34a_200012022750_100015922095 [0,2,0,0,0,0|2,0,0]=4 8137 B16R0.274 CC(=O)NCCCCCNCCCCCCO 2230a_200012022750_100000766143 [0,2,0,0,0,0|1,0,0]=3 8138 B16R0.274 CC(=O)NCCCCCNCCCCCCO 34a_200012022750_100000766143 [0,2,0,0,0,0|1,0,0]=3 8139 B16R0.274 CC(=O)NCCCCNCCCCCCCO 2230a_200011368371_100000760002 [0,2,0,0,0,0|1,0,0]=3 8140 B16R0.274 CC(=O)NCCCCNCCCCCCCO 34a_200011368371_100000760002 [0,2,0,0,0,0|1,0,0]=3 8141 B16R0.274 CC(=O)NCCCNCCCCCCCCO 34a_100000736810_100000033203 [0,2,0,0,0,0|1,0,0]=3 8142 B16R0.274 CC(=O)NCCCOCCCCCCCCO 34a_100000752032_100000033203 [0,2,0,0,0,0|1,0,0]=3 8143 B16R0.274 CC(=O)NCCNCCCCCCCCCO 2230a_100000078944_100000189650 [0,2,0,0,0,0|1,0,0]=3 8144 B16R0.274 CC(=O)NCCNCCCCCCCCCO 2230a_100000209853_100009813782 [0,2,0,0,0,0|1,0,0]=3 8145 B16R0.274 CC(=O)NCCOCCCCCCCCCBr 7a_100009813782_100000189650 [0,2,0,0,0,0|2,0,0]=4 8146 B16R0.274 CC(=O)NCCOCCCCCCCCCCl 7a_100009868337_100000189650 [0,2,0,0,0,0|2,0,0]=4 8147 B16R0.274 CC(=O)NCCOCCCCCCCCCO 34a_100000158858_100009813782 [0,2,0,0,0,0|1,0,0]=3 8148 B16R0.274 CC(=O)NCCSCCCCCCCCCO 62a_100000189650_100009813782 [0,2,0,0,0,0|1,0,0]=3 8149 B16R0.274 CC(=O)NCCSCCCCCCCCCO 62a_100009813782_100000189650 [0,2,0,0,0,0|1,0,0]=3 8150 B16R0.274 CC(=O)OCCCCCNCCCCCCO 2230a_100000686447_100009813381 [0,2,0,0,0,0|1,0,0]=3 8151 B16R0.274 CC(=O)OCCCCCNCCCCCCO 34a_100000686447_100000033007 [0,2,0,0,0,0|1,0,0]=3 8152 B16R0.274 CC(=O)OCCCCCOCCCCCCBr 34a_100011215345_100000033007 [0,2,0,0,0,0|2,0,0]=4 8153 B16R0.274 CC(=O)OCCCCCOCCCCCCBr 7a_100011215345_100000033007 [0,2,0,0,0,0|2,0,0]=4 8154 B16R0.274 CC(=O)OCCCCCOCCCCCCCl 34a_100000766143_100000033007 [0,2,0,0,0,0|2,0,0]=4 8155 B16R0.274 CC(=O)OCCCCCOCCCCCCCl 7a_100000766143_100000033007 [0,2,0,0,0,0|2,0,0]=4 8156 B16R0.274 CC(=O)OCCCCCOCCCCCCF 34a_100000732779_100000033007 [0,2,0,0,0,0|2,0,0]=4 8157 B16R0.274 CC(=O)OCCCCCOCCCCCCF 7a_100000732779_100000033007 [0,2,0,0,0,0|2,0,0]=4 8158 B16R0.274 CC(=O)OCCCCCOCCCCCCN 34a_100000686447_100000033007 [0,2,0,0,0,0|2,0,0]=4 8159 B16R0.274 CC(=O)OCCCCCSCCCCCCF 62a_100000033007_100015922095 [0,2,0,0,0,0|2,0,0]=4 8160 B16R0.274 CC(=O)OCCCCCSCCCCCCF 62a_100015922095_100000033007 [0,2,0,0,0,0|2,0,0]=4 8161 B16R0.274 CC(=O)OCCCCCSCCCCCCO 62a_100000033007_100000766143 [0,2,0,0,0,0|1,0,0]=3 8162 B16R0.274 CC(=O)OCCCCCSCCCCCCO 62a_100000766143_100000033007 [0,2,0,0,0,0|1,0,0]=3 8163 B16R0.274 CC(=O)OCCCCNCCCCCCCO 34a_100011996573_100000033659 [0,2,0,0,0,0|1,0,0]=3 8164 B16R0.274 CC(=O)OCCCCNCCCOCCCO 34a_100011310245_100000033659 [0,2,0,0,0,0|2,0,0]=4 8165 B16R0.274 CC(=O)OCCCCOCCCCCCCBr 34a_100000760002_100000033659 [0,2,0,0,0,0|2,0,0]=4 8166 B16R0.274 CC(=O)OCCCCOCCCCCCCBr 7a_100000760002_100000033659 [0,2,0,0,0,0|2,0,0]=4 8167 B16R0.274 CC(=O)OCCCCOCCCCCCCN 34a_100011996573_100000033659 [0,2,0,0,0,0|2,0,0]=4 8168 B16R0.274 CC(=O)OCCCCOCCCCCCCO 34a_100000073216_100000760002 [0,2,0,0,0,0|1,0,0]=3 8169 B16R0.274 CC(=O)OCCCCOCCCCCCCO 7a_100000073216_100000760002 [0,2,0,0,0,0|1,0,0]=3 8170 B16R0.274 CC(=O)OCCCCSCCCCCCCO 62a_100000033659_100000760002 [0,2,0,0,0,0|1,0,0]=3 8171 B16R0.274 CC(=O)OCCCCSCCCCCCCO 62a_100000760002_100000033659 [0,2,0,0,0,0|1,0,0]=3 8172 B16R0.274 CC(=O)OCCCNCCCCCCCCO 34a_102515433106_100000042594 [0,2,0,0,0,0|1,0,0]=3 8173 B16R0.274 CC(=O)OCCCOCCCCCCCCBr 34a_100009813846_100000042594 [0,2,0,0,0,0|2,0,0]=4 8174 B16R0.274 CC(=O)OCCCOCCCCCCCCBr 7a_100009813846_100000042594 [0,2,0,0,0,0|2,0,0]=4 8175 B16R0.274 CC(=O)OCCCOCCCCCCCCCl 34a_100000033203_100000042594 [0,2,0,0,0,0|2,0,0]=4 8176 B16R0.274 CC(=O)OCCCOCCCCCCCCCl 7a_100000033203_100000042594 [0,2,0,0,0,0|2,0,0]=4 8177 B16R0.274 CC(=O)OCCCOCCCCCCCCN 34a_102515433106_100000042594 [0,2,0,0,0,0|2,0,0]=4 8178 B16R0.274 CC(=O)OCCCSCCCCCCCCO 62a_100000033203_100000042594 [0,2,0,0,0,0|1,0,0]=3 8179 B16R0.274 CC(=O)OCCCSCCCCCCCCO 62a_100000042594_100000033203 [0,2,0,0,0,0|1,0,0]=3 8180 B16R0.274 CC(=O)OCCNCCCCCCCCCO 34a_100000078944_100009814007 [0,2,0,0,0,0|1,0,0]=3 8181 B16R0.274 CC(=O)OCCOCCCCCCCCCBr 34a_100009813782_100009814007 [0,2,0,0,0,0|2,0,0]=4 8182 B16R0.274 CC(=O)OCCOCCCCCCCCCBr 7a_100009813782_100009814007 [0,2,0,0,0,0|2,0,0]=4 8183 B16R0.274 CC(=O)OCCOCCCCCCCCCCl 34a_100009868337_100009814007 [0,2,0,0,0,0|2,0,0]=4 8184 B16R0.274 CC(=O)OCCOCCCCCCCCCCl 7a_100009868337_100009814007 [0,2,0,0,0,0|2,0,0]=4 8185 B16R0.274 CC(=O)OCCOCCCCCCCCCN 34a_100000078944_100009814007 [0,2,0,0,0,0|2,0,0]=4 8186 B16R0.274 CC(=O)OCCOCCNCCCCCCO 2230a_100000686447_200000083610 [0,2,0,0,0,0|2,0,0]=4 8187 B16R0.274 CC(=O)OCCOCCNCCCCCCO 34a_100000686447_200000083610 [0,2,0,0,0,0|2,0,0]=4 8188 B16R0.274 CC(=O)OCCOCCSCCCCCCO 62a_100000766143_200000083610 [0,2,0,0,0,0|2,0,0]=4 8189 B16R0.274 CC(=O)OCCOCCSCCCCCCO 62a_200000083610_100000766143 [0,2,0,0,0,0|2,0,0]=4 8190 B16R0.274 CC(=O)OCCOCNCCCCCCCO 34a_100011996573_100000076355 [0,2,0,0,0,0|2,0,0]=4 8191 B16R0.274 CC(=O)OCCOCSCCCCCCCO 62a_100000076355_100000760002 [0,2,0,0,0,0|2,0,0]=4 8192 B16R0.274 CC(=O)OCCOCSCCCCCCCO 62a_100000760002_100000076355 [0,2,0,0,0,0|2,0,0]=4 8193 B16R0.274 CC(=O)OCCSCCCCCCCCCO 62a_100009813782_100009814007 [0,2,0,0,0,0|1,0,0]=3 8194 B16R0.274 CC(=O)OCCSCCCCCCCCCO 62a_100009814007_100009813782 [0,2,0,0,0,0|1,0,0]=3 8195 B16R0.274 CC(=O)OCNCCCCCCCCCCO 34a_100000066964_100009813279 [0,2,0,0,0,0|1,0,0]=3 8196 B16R0.274 CC(=O)OCOCCCCCCCCCCBr 34a_100009813290_100009813279 [0,2,0,0,0,0|2,0,0]=4 8197 B16R0.274 CC(=O)OCOCCCCCCCCCCCl 34a_200000033068_100009813279 [0,2,0,0,0,0|2,0,0]=4 8198 B16R0.274 CC(=O)OCOCCCCCCCCCCN 34a_100000066964_100009813279 [0,2,0,0,0,0|2,0,0]=4 8199 B16R0.274 CC(=O)OCSCCCCCCCCCCO 62a_100000076356_200000033068 [0,2,0,0,0,0|1,0,0]=3 8200 B16R0.274 CC(=O)OCSCCCCCCCCCCO 62a_100009813290_100000076356 [0,2,0,0,0,0|1,0,0]=3 8201 B16R0.274 CC(=O)SCCCCNCCCCCCCO 2230a_100011996573_200010402107 [0,2,0,0,0,0|1,0,0]=3 8202 B16R0.274 CC(=O)SCCCCNCCCCCCCO 34a_100011996573_200010402107 [0,2,0,0,0,0|1,0,0]=3 8203 B16R0.274 CC(=O)SCCCCNCCCOCCCO 2230a_100011310245_200010402107 [0,2,0,0,0,0|2,0,0]=4 8204 B16R0.274 CC(=O)SCCCCNCCCOCCCO 34a_100011310245_200010402107 [0,2,0,0,0,0|2,0,0]=4 8205 B16R0.274 CC(=O)SCCCCOCCCCCCCBr 34a_100000760002_200010402107 [0,2,0,0,0,0|2,0,0]=4 8206 B16R0.274 CC(=O)SCCCCOCCCCCCCBr 7a_100000760002_200010402107 [0,2,0,0,0,0|2,0,0]=4 8207 B16R0.274 CC(=O)SCCCCOCCCCCCCN 34a_100011996573_200010402107 [0,2,0,0,0,0|2,0,0]=4 8208 B16R0.274 CC(=O)SCCCCSCCCCCCCO 62a_100000760002_200010402107 [0,2,0,0,0,0|1,0,0]=3 8209 B16R0.274 CC(=O)SCCCCSCCCCCCCO 62a_200010402107_100000760002 [0,2,0,0,0,0|1,0,0]=3 8210 B16R0.274 CC(=O)SCCCNCCCCCCCCO 2230a_102515433106_100000038929 [0,2,0,0,0,0|1,0,0]=3 8211 B16R0.274 CC(=O)SCCCNCCCCCCCCO 34a_102515433106_100000038929 [0,2,0,0,0,0|1,0,0]=3 8212 B16R0.274 CC(=O)SCCCOCCCCCCCCBr 34a_100009813846_100000038929 [0,2,0,0,0,0|2,0,0]=4 8213 B16R0.274 CC(=O)SCCCOCCCCCCCCBr 7a_100009813846_100000038929 [0,2,0,0,0,0|2,0,0]=4 8214 B16R0.274 CC(=O)SCCCOCCCCCCCCCl 34a_100000033203_100000038929 [0,2,0,0,0,0|2,0,0]=4 8215 B16R0.274 CC(=O)SCCCOCCCCCCCCCl 7a_100000033203_100000038929 [0,2,0,0,0,0|2,0,0]=4 8216 B16R0.274 CC(=O)SCCCOCCCCCCCCN 34a_102515433106_100000038929 [0,2,0,0,0,0|2,0,0]=4 8217 B16R0.274 CC(=O)SCCCSCCCCCCCCO 62a_100000033203_100000038929 [0,2,0,0,0,0|1,0,0]=3 8218 B16R0.274 CC(=O)SCCCSCCCCCCCCO 62a_100000038929_100000033203 [0,2,0,0,0,0|1,0,0]=3 8219 B16R0.274 CC(=S)OCCCNCCCCCCCCO 2230a_102515433106_200135323944 [0,2,0,0,0,0|1,1,0]=4 8220 B16R0.274 CC(=S)OCCCNCCCCCCCCO 34a_102515433106_200135323944 [0,2,0,0,0,0|1,1,0]=4 8221 B16R0.274 CC(=S)OCCCSCCCCCCCCO 62a_100000033203_200135323944 [0,2,0,0,0,0|1,1,0]=4 8222 B16R0.274 CC(=S)OCCCSCCCCCCCCO 62a_200135323944_100000033203 [0,2,0,0,0,0|1,1,0]=4 8223 B16R0.274 CC(O)CCCNCCCCCCCCCO 2230a_100000078944_200000718107 [0,2,0,0,0,0|1,0,1]=4 8224 B16R0.274 CC(O)CCCNCCCCCCCCCO 34a_100000078944_200000718107 [0,2,0,0,0,0|1,0,1]=4 8225 B16R0.274 CC(O)CCCSCCCCCCCCCO 62a_100009813782_200000718107 [0,2,0,0,0,0|1,0,1]=4 8226 B16R0.274 CC(O)CCCSCCCCCCCCCO 62a_200000718107_100009813782 [0,2,0,0,0,0|1,0,1]=4 8227 B16R0.274 CC(O)CCNCCCCCCCCCCO 2230a_100000066964_100012276601 [0,2,0,0,0,0|1,0,1]=4 8228 B16R0.274 CC(O)CCNCCCCCCCCCCO 2230a_200000755665_100009813290 [0,2,0,0,0,0|1,0,1]=4 8229 B16R0.274 CC(O)CCNCCCCCCCCCCO 34a_100000066964_100012276601 [0,2,0,0,0,0|1,0,1]=4 8230 B16R0.274 CC(O)CCSCCCCCCCCCCO 62a_100009813290_100012276601 [0,2,0,0,0,0|1,0,1]=4 8231 B16R0.274 CC(O)CCSCCCCCCCCCCO 62a_100012276601_200000033068 [0,2,0,0,0,0|1,0,1]=4 8232 B16R0.274 CC(O)CNCCCCCCCCCCCO 2230a_100000210904_100009812471 [0,2,0,0,0,0|1,0,1]=4 8233 B16R0.274 CC(O)CNCCCCCCCCCCCO 34a_100000210904_100009812471 [0,2,0,0,0,0|1,0,1]=4 8234 B16R0.274 CC(O)CSCCCCCCCCCCCO 62a_100009812471_100011218427 [0,2,0,0,0,0|1,0,1]=4 8235 B16R0.274 CCCCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000043322 [0,2,0,0,0,0|1,0,1]=4 8236 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [0,2,0,0,0,0|2,0,0]=4 8237 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [0,2,0,0,0,0|2,0,0]=4 8238 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [0,2,0,0,0,0|2,0,0]=4 8239 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [0,2,0,0,0,0|2,0,0]=4 8240 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [0,2,0,0,0,0|2,0,0]=4 8241 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [0,2,0,0,0,0|2,0,0]=4 8242 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [0,2,0,0,0,0|2,0,0]=4 8243 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [0,2,0,0,0,0|1,0,0]=3 8244 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [0,2,0,0,0,0|1,0,1]=4 8245 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [0,2,0,0,0,0|2,0,0]=4 8246 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [0,2,0,0,0,0|2,0,0]=4 8247 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [0,2,0,0,0,0|2,0,0]=4 8248 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [0,2,0,0,0,0|1,0,1]=4 8249 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [0,2,0,0,0,0|2,0,0]=4 8250 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [0,2,0,0,0,0|1,0,1]=4 8251 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [0,2,0,0,0,0|2,0,0]=4 8252 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [0,2,0,0,0,0|2,0,0]=4 8253 B16R0.274 CCCCCCCCCCCNCOC(=O)C 34a_200011215754_100009813279 [0,2,0,0,0,0|2,0,0]=4 8254 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [0,2,0,0,0,0|1,0,0]=3 8255 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [0,2,0,0,0,0|2,0,0]=4 8256 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [0,2,0,0,0,0|2,0,0]=4 8257 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [0,2,0,0,0,0|2,0,0]=4 8258 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [0,2,0,0,0,0|2,0,0]=4 8259 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [0,2,0,0,0,0|2,0,0]=4 8260 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [0,2,0,0,0,0|2,0,0]=4 8261 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [0,2,0,0,0,0|2,0,0]=4 8262 B16R0.274 CCCCCCCCCCCOCOC(=O)C 34a_100000210809_100009813279 [0,2,0,0,0,0|2,0,0]=4 8263 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [0,2,0,0,0,0|2,0,0]=4 8264 B16R0.274 CCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011215454 [0,2,0,0,0,0|2,0,0]=4 8265 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [0,2,0,0,0,0|2,0,0]=4 8266 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [0,2,0,0,0,0|2,0,0]=4 8267 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [0,2,0,0,0,0|2,0,0]=4 8268 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210320 [0,2,0,0,0,0|2,0,0]=4 8269 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000684558_100000189650 [0,2,0,0,0,0|2,0,0]=4 8270 B16R0.274 CCCCCCCCCCNCCNC(=O)N 2230a_100000684558_200000034859 [0,2,0,0,0,0|2,0,0]=4 8271 B16R0.274 CCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000210320 [0,2,0,0,0,0|2,0,0]=4 8272 B16R0.274 CCCCCCCCCCNCCOC(=O)C 34a_100000684558_100009814007 [0,2,0,0,0,0|2,0,0]=4 8273 B16R0.274 CCCCCCCCCCNCCOC(=O)N 34a_100000684558_200011214921 [0,2,0,0,0,0|2,0,0]=4 8274 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [0,2,0,0,0,0|2,0,0]=4 8275 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [0,2,0,0,0,0|2,0,0]=4 8276 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [0,2,0,0,0,0|2,0,0]=4 8277 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [0,2,0,0,0,0|2,0,0]=4 8278 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [0,2,0,0,0,0|2,0,0]=4 8279 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [0,2,0,0,0,0|2,0,0]=4 8280 B16R0.274 CCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000210320 [0,2,0,0,0,0|2,0,0]=4 8281 B16R0.274 CCCCCCCCCCOCCNC(=O)C 7a_100000210711_100000189650 [0,2,0,0,0,0|2,0,0]=4 8282 B16R0.274 CCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000210320 [0,2,0,0,0,0|2,0,0]=4 8283 B16R0.274 CCCCCCCCCCOCCNC(=O)N 7a_100000210711_200000034859 [0,2,0,0,0,0|2,0,0]=4 8284 B16R0.274 CCCCCCCCCCOCCOC(=O)C 34a_100000210711_100009814007 [0,2,0,0,0,0|2,0,0]=4 8285 B16R0.274 CCCCCCCCCCOCCOC(=O)C 7a_100000210711_100009814007 [0,2,0,0,0,0|2,0,0]=4 8286 B16R0.274 CCCCCCCCCCOCCOC(=O)N 34a_100000210711_200011214921 [0,2,0,0,0,0|2,0,0]=4 8287 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000210711_200011214921 [0,2,0,0,0,0|2,0,0]=4 8288 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210320 [0,2,0,0,0,0|2,0,0]=4 8289 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [0,2,0,0,0,0|2,0,0]=4 8290 B16R0.274 CCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210320 [0,2,0,0,0,0|2,0,0]=4 8291 B16R0.274 CCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210320 [0,2,0,0,0,0|2,0,0]=4 8292 B16R0.274 CCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210320 [0,2,0,0,0,0|2,0,0]=4 8293 B16R0.274 CCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210320 [0,2,0,0,0,0|2,0,0]=4 8294 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [0,2,0,0,0,0|2,0,0]=4 8295 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [0,2,0,0,0,0|2,0,0]=4 8296 B16R0.274 CCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011214924 [0,2,0,0,0,0|2,0,0]=4 8297 B16R0.274 CCCCCCCCCNCCCOC(=O)C 34a_100000212291_100000042594 [0,2,0,0,0,0|2,0,0]=4 8298 B16R0.274 CCCCCCCCCNCCCSC(=O)C 2230a_100000212291_100000038929 [0,2,0,0,0,0|2,0,0]=4 8299 B16R0.274 CCCCCCCCCNCCCSC(=O)C 34a_100000212291_100000038929 [0,2,0,0,0,0|2,0,0]=4 8300 B16R0.274 CCCCCCCCCNCCOCC(=O)N 2230a_100000212291_100000076697 [0,2,0,0,0,0|2,0,0]=4 8301 B16R0.274 CCCCCCCCCNCCOCC(=O)N 34a_100000212291_100000076697 [0,2,0,0,0,0|2,0,0]=4 8302 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [0,2,0,0,0,0|1,0,0]=3 8303 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [0,2,0,0,0,0|2,0,0]=4 8304 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [0,2,0,0,0,0|2,0,0]=4 8305 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [0,2,0,0,0,0|2,0,0]=4 8306 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [0,2,0,0,0,0|2,0,0]=4 8307 B16R0.274 CCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011214924 [0,2,0,0,0,0|2,0,0]=4 8308 B16R0.274 CCCCCCCCCOCCCOC(=O)C 34a_100000210712_100000042594 [0,2,0,0,0,0|2,0,0]=4 8309 B16R0.274 CCCCCCCCCOCCCOC(=O)C 7a_100000210712_100000042594 [0,2,0,0,0,0|2,0,0]=4 8310 B16R0.274 CCCCCCCCCOCCCSC(=O)C 34a_100000210712_100000038929 [0,2,0,0,0,0|2,0,0]=4 8311 B16R0.274 CCCCCCCCCOCCCSC(=O)C 7a_100000210712_100000038929 [0,2,0,0,0,0|2,0,0]=4 8312 B16R0.274 CCCCCCCCCOCCOCC(=O)N 34a_100000210712_100000076697 [0,2,0,0,0,0|2,0,0]=4 8313 B16R0.274 CCCCCCCCCOCCOCC(=O)N 7a_100000210712_100000076697 [0,2,0,0,0,0|2,0,0]=4 8314 B16R0.274 CCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210670 [0,2,0,0,0,0|2,0,0]=4 8315 B16R0.274 CCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210670 [0,2,0,0,0,0|2,0,0]=4 8316 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [0,2,0,0,0,0|2,0,0]=4 8317 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [0,2,0,0,0,0|2,0,0]=4 8318 B16R0.274 CCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210759 [0,2,0,0,0,0|2,0,0]=4 8319 B16R0.274 CCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210759 [0,2,0,0,0,0|2,0,0]=4 8320 B16R0.274 CCCCCCCCNCCCCOC(=O)C 34a_100000229939_100000033659 [0,2,0,0,0,0|2,0,0]=4 8321 B16R0.274 CCCCCCCCNCCCCSC(=O)C 2230a_100000229939_200010402107 [0,2,0,0,0,0|2,0,0]=4 8322 B16R0.274 CCCCCCCCNCCCCSC(=O)C 34a_100000229939_200010402107 [0,2,0,0,0,0|2,0,0]=4 8323 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [0,2,0,0,0,0|2,0,0]=4 8324 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [0,2,0,0,0,0|2,0,0]=4 8325 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [0,2,0,0,0,0|2,0,0]=4 8326 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [0,2,0,0,0,0|2,0,0]=4 8327 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [0,2,0,0,0,0|1,0,1]=4 8328 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210759 [0,2,0,0,0,0|2,0,0]=4 8329 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000210232_100000033659 [0,2,0,0,0,0|2,0,0]=4 8330 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210759 [0,2,0,0,0,0|2,0,0]=4 8331 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000210232_100000033659 [0,2,0,0,0,0|2,0,0]=4 8332 B16R0.274 CCCCCCCCOCCCCSC(=O)C 34a_100000210232_200010402107 [0,2,0,0,0,0|2,0,0]=4 8333 B16R0.274 CCCCCCCCOCCCCSC(=O)C 7a_100000210232_200010402107 [0,2,0,0,0,0|2,0,0]=4 8334 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [0,2,0,0,0,0|2,0,0]=4 8335 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [0,2,0,0,0,0|2,0,0]=4 8336 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210317 [0,2,0,0,0,0|2,0,0]=4 8337 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000210759_100000033659 [0,2,0,0,0,0|2,0,0]=4 8338 B16R0.274 CCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210681 [0,2,0,0,0,0|2,0,0]=4 8339 B16R0.274 CCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210614 [0,2,0,0,0,0|2,0,0]=4 8340 B16R0.274 CCCCCCCNCCCCCOC(=O)C 2230a_100000229938_100009813381 [0,2,0,0,0,0|2,0,0]=4 8341 B16R0.274 CCCCCCCOCCCCCOC(=O)C 34a_100000210272_100000033007 [0,2,0,0,0,0|2,0,0]=4 8342 B16R0.274 CCCCCCCOCCCCCOC(=O)C 7a_100000210272_100000033007 [0,2,0,0,0,0|2,0,0]=4 8343 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210316 [0,2,0,0,0,0|2,0,0]=4 8344 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000210614_100000033007 [0,2,0,0,0,0|2,0,0]=4 8345 B16R0.274 CCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210314 [0,2,0,0,0,0|2,0,0]=4 8346 B16R0.274 CCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210314 [0,2,0,0,0,0|2,0,0]=4 8347 B16R0.274 CCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210757 [0,2,0,0,0,0|2,0,0]=4 8348 B16R0.274 CCCCCCOCCOCCCCC(=O)C 34a_100000691444_100009817362 [0,2,0,0,0,0|2,0,0]=4 8349 B16R0.274 CCCCCCOCCOCCCCC(=O)C 7a_100000691444_100000735457 [0,2,0,0,0,0|2,0,0]=4 8350 B16R0.274 CCCCCNCCOCCCCCC(=O)N 34a_100000224656_100009817443 [0,2,0,0,0,0|2,0,0]=4 8351 B16R0.274 CCCCCOCCOCCCCCC(=O)N 34a_100011215259_100009817443 [0,2,0,0,0,0|2,0,0]=4 8352 B16R0.274 CCCCCOCCOCCCCCC(=O)N 7a_100011215259_100009817443 [0,2,0,0,0,0|2,0,0]=4 8353 B16R0.274 CCCCNCCCCOCCCCC(=O)C 34a_200011216965_100009817362 [0,2,0,0,0,0|2,0,0]=4 8354 B16R0.274 CCCCOCCCCOCCCCC(=O)C 34a_200000760531_100009817362 [0,2,0,0,0,0|2,0,0]=4 8355 B16R0.274 CCCCOCCCCOCCCCC(=O)C 7a_200000760531_100000735457 [0,2,0,0,0,0|2,0,0]=4 8356 B16R0.274 CCCCOCCCNCCCCCC(=O)N 2230a_200000211371_100009817443 [0,2,0,0,0,0|2,0,0]=4 8357 B16R0.274 CCCCOCCCNCCCCCC(=O)N 34a_200000211371_100009817443 [0,2,0,0,0,0|2,0,0]=4 8358 B16R0.274 CCCCOCCCOCCCCCC(=O)N 34a_200011215613_100009817443 [0,2,0,0,0,0|2,0,0]=4 8359 B16R0.274 CCCCOCCCOCCCCCC(=O)N 7a_200011215613_100009817443 [0,2,0,0,0,0|2,0,0]=4 8360 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [0,2,0,0,0,0|2,0,0]=4 8361 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [0,2,0,0,0,0|2,0,0]=4 8362 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [0,2,0,0,0,0|2,0,0]=4 8363 B16R0.274 CCOCCCCCCCCCOCC(=O)N 34a_100009875440_100000187820 [0,2,0,0,0,0|2,0,0]=4 8364 B16R0.274 CCOCCCCCCCCCOCC(=O)N 7a_100009875440_100000187820 [0,2,0,0,0,0|2,0,0]=4 8365 B16R0.274 CCOCCCCCCCCCOCC(=O)[O-] 34a_100009875440_100020667443 [0,2,0,0,0,0|1,0,1]=4 8366 B16R0.274 CNCCCCCCCCCCCSC(=O)C 2230a_106832991635_100010140907 [0,2,0,0,0,0|2,0,0]=4 8367 B16R0.274 CNCCCCCCCCCCCSC(=O)C 34a_100102657272_100010140907 [0,2,0,0,0,0|2,0,0]=4 8368 B16R0.274 CNCCCCCCCCCCCSC(=O)C 7a_106832991635_100010140907 [0,2,0,0,0,0|2,0,0]=4 8369 B16R0.274 COCCCCCCCCCCCSC(=O)C 34a_100138415774_100010140907 [0,2,0,0,0,0|1,0,0]=3 8370 B16R0.274 COCCCCCCNCCCCNC(=O)C 2230a_200011368371_100011998445 [0,2,0,0,0,0|2,0,0]=4 8371 B16R0.274 COCCCCCCNCCCCNC(=O)C 34a_200011368371_100011998445 [0,2,0,0,0,0|2,0,0]=4 8372 B16R0.274 COCCCCCCOCCCCCB(O)O 34a_200012092642_200009817188 [0,2,0,0,0,0|1,0,1]=4 8373 B16R0.274 COCCCCCCOCCCCCB(O)O 7a_200012092642_200009817188 [0,2,0,0,0,0|1,0,1]=4 8374 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_100000123541_100011998445 [0,2,0,0,0,0|1,0,0]=3 8375 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_200012092642_100009817443 [0,2,0,0,0,0|1,0,0]=3 8376 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_100000123541_100011998445 [0,2,0,0,0,0|1,0,0]=3 8377 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_200012092642_100009817443 [0,2,0,0,0,0|1,0,0]=3 8378 B16R0.274 COCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011998445 [0,2,0,0,0,0|0,0,1]=3 8379 B16R0.274 COCCCCCCOCCCCOC(=O)C 34a_100000073216_100011998445 [0,2,0,0,0,0|2,0,0]=4 8380 B16R0.274 COCCCCCCOCCCCOC(=O)C 34a_200012092642_100000033659 [0,2,0,0,0,0|2,0,0]=4 8381 B16R0.274 COCCCCCCOCCCCOC(=O)C 7a_100000073216_100011998445 [0,2,0,0,0,0|2,0,0]=4 8382 B16R0.274 COCCCCCCOCCCCOC(=O)C 7a_200012092642_100000033659 [0,2,0,0,0,0|2,0,0]=4 8383 B16R0.274 COCCCCCCOCCCCSC(=O)C 34a_200012092642_200010402107 [0,2,0,0,0,0|2,0,0]=4 8384 B16R0.274 COCCCCCCOCCCCSC(=O)C 7a_200012092642_200010402107 [0,2,0,0,0,0|2,0,0]=4 8385 B16R0.274 COCCCCCCSCCCCCB(O)O 62a_100011998445_200009817188 [0,2,0,0,0,0|1,0,1]=4 8386 B16R0.274 COCCCCCCSCCCCCB(O)O 62a_200009817188_100011998445 [0,2,0,0,0,0|1,0,1]=4 8387 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100009817443_100011998445 [0,2,0,0,0,0|1,0,0]=3 8388 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100011998445_100009817443 [0,2,0,0,0,0|1,0,0]=3 8389 B16R0.274 COCCCCCCSCCCCOC(=O)C 62a_100000033659_100011998445 [0,2,0,0,0,0|2,0,0]=4 8390 B16R0.274 COCCCCCCSCCCCOC(=O)C 62a_100011998445_100000033659 [0,2,0,0,0,0|2,0,0]=4 8391 B16R0.274 COCCCCCCSCCCCSC(=O)C 62a_100011998445_200010402107 [0,2,0,0,0,0|2,0,0]=4 8392 B16R0.274 COCCCCCCSCCCCSC(=O)C 62a_200010402107_100011998445 [0,2,0,0,0,0|2,0,0]=4 8393 B16R0.274 COCCCCCNCCCCCCB(O)O 2230a_100000747528_100009817187 [0,2,0,0,0,0|1,0,1]=4 8394 B16R0.274 COCCCCCNCCCCCCB(O)O 34a_100000747528_100009817187 [0,2,0,0,0,0|1,0,1]=4 8395 B16R0.274 COCCCCCNCCCCCOC(=O)C 2230a_100000747528_100009813381 [0,2,0,0,0,0|2,0,0]=4 8396 B16R0.274 COCCCCCNCCCCCOC(=O)C 34a_100000747528_100000033007 [0,2,0,0,0,0|2,0,0]=4 8397 B16R0.274 COCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000730899 [0,2,0,0,0,0|2,0,0]=4 8398 B16R0.274 COCCCCNCCCCCCNC(=O)C 34a_200011996284_100000755781 [0,2,0,0,0,0|2,0,0]=4 8399 B16R0.274 COCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000730899 [0,2,0,0,0,0|2,0,0]=4 8400 B16R0.274 COCCCOCCCOCCCCC(=O)C 34a_200011215475_100009817362 [0,2,0,0,0,0|2,0,0]=4 8401 B16R0.274 COCCCOCCCOCCCCC(=O)C 7a_200011215475_100000735457 [0,2,0,0,0,0|2,0,0]=4 8402 B16R0.274 COCCOCCCNCCCCCC(=O)N 2230a_100000206027_100009817443 [0,2,0,0,0,0|2,0,0]=4 8403 B16R0.274 COCCOCCCNCCCCCC(=O)N 34a_100000206027_100009817443 [0,2,0,0,0,0|2,0,0]=4 8404 B16R0.274 COCCOCCCOCCCCCC(=O)N 34a_100000123541_100011216529 [0,2,0,0,0,0|2,0,0]=4 8405 B16R0.274 COCCOCCCOCCCCCC(=O)N 7a_100000123541_100011216529 [0,2,0,0,0,0|2,0,0]=4 8406 B16R0.274 COCCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100011216529 [0,2,0,0,0,0|1,0,1]=4 8407 B16R0.274 COCCOCCCSCCCCCC(=O)N 62a_100009817443_100011216529 [0,2,0,0,0,0|2,0,0]=4 8408 B16R0.274 COCCOCCCSCCCCCC(=O)N 62a_100011216529_100009817443 [0,2,0,0,0,0|2,0,0]=4 8409 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_100000766300_200010167045 [0,2,0,0,0,0|1,0,0]=3 8410 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_200010167045_100000766300 [0,2,0,0,0,0|1,0,0]=3 8411 B16R0.274 CS(=O)CCCNCCCCCCCCCO 2230a_200000753449_100009813782 [0,2,0,0,0,0|2,0,0]=4 8412 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_100011218213_200010167045 [0,2,0,0,0,0|1,1,0]=4 8413 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_200010167045_100011218213 [0,2,0,0,0,0|1,1,0]=4 8414 B16R0.274 C[C@@H](O)CSCCCCCCCCCCCO 62a_100009812471_100009817552 [0,2,0,0,0,0|1,0,1]=4 8415 B16R0.274 N#CCCCCCCOCCCCCC(=O)N 7a_100000123541_100009813337 [0,2,0,0,0,0|2,0,0]=4 8416 B16R0.274 N#CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100009813337 [0,2,0,0,0,0|1,0,1]=4 8417 B16R0.274 N#CCCCCCCSCCCCCC(=O)N 62a_100009813337_100009817443 [0,2,0,0,0,0|2,0,0]=4 8418 B16R0.274 N#CCCCCCCSCCCCCC(=O)N 62a_100009817443_100009813337 [0,2,0,0,0,0|2,0,0]=4 8419 B16R0.274 N#CCSCCCCCCCCCCC(=O)N 62a_100011215382_200010167045 [0,2,0,0,0,0|2,0,0]=4 8420 B16R0.274 N#CCSCCCCCCCCCCC(=O)N 62a_200010167045_100011215382 [0,2,0,0,0,0|2,0,0]=4 8421 B16R0.274 NC(=O)CCCCCCCCCCNCCF 34a_100000724931_200010167045 [0,2,0,0,0,0|2,0,0]=4 8422 B16R0.274 NC(=O)CCCCCCCCCCNCCO 2230a_100016997473_200010167045 [0,2,0,0,0,0|1,0,0]=3 8423 B16R0.274 NC(=O)CCCCCCCCCCNCCO 34a_100016990907_200010167045 [0,2,0,0,0,0|1,0,0]=3 8424 B16R0.274 NC(=O)CCCCCCCCCCOCCBr 34a_100000211926_200010167045 [0,2,0,0,0,0|2,0,0]=4 8425 B16R0.274 NC(=O)CCCCCCCCCCSCC=O 62a_200010167045_200015260668 [0,2,0,0,0,0|1,0,1]=4 8426 B16R0.274 NC(=O)CCCCCCCCCCSCC=O 62a_200015260668_200010167045 [0,2,0,0,0,0|1,0,1]=4 8427 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_100011217306_200010167045 [0,2,0,0,0,0|2,0,0]=4 8428 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_200010167045_100011217306 [0,2,0,0,0,0|2,0,0]=4 8429 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_100000211926_200010167045 [0,2,0,0,0,0|1,0,0]=3 8430 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_200010167045_100000211926 [0,2,0,0,0,0|1,0,0]=3 8431 B16R0.274 NC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009817443 [0,2,0,0,0,0|1,0,0]=3 8432 B16R0.274 NC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009817443 [0,2,0,0,0,0|1,0,0]=3 8433 B16R0.274 NC(=O)CCCCCNCCCOCCCO 2230a_100011310245_100009817443 [0,2,0,0,0,0|1,0,0]=3 8434 B16R0.274 NC(=O)CCCCCNCCCOCCCO 34a_100011310245_100009817443 [0,2,0,0,0,0|1,0,0]=3 8435 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009817443 [0,2,0,0,0,0|2,0,0]=4 8436 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009817443 [0,2,0,0,0,0|2,0,0]=4 8437 B16R0.274 NC(=O)CCCCCOCCCCCCCO 34a_100000123541_100000760002 [0,2,0,0,0,0|1,0,0]=3 8438 B16R0.274 NC(=O)CCCCCOCCCCCCCO 7a_100000123541_100000760002 [0,2,0,0,0,0|1,0,0]=3 8439 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009817443 [0,2,0,0,0,0|1,0,0]=3 8440 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100009817443_100000760002 [0,2,0,0,0,0|1,0,0]=3 8441 B16R0.274 NC(=O)CCCCNCCCCCCCCO 34a_100000696515_100000033203 [0,2,0,0,0,0|1,0,0]=3 8442 B16R0.274 NC(=O)CCCCNCCOCCOCCO 34a_100000696515_100000032323 [0,2,0,0,0,0|2,0,0]=4 8443 B16R0.274 NC(=O)CCCCOCCCCCCCCO 34a_100012022536_100000033203 [0,2,0,0,0,0|1,0,0]=3 8444 B16R0.274 NC(=O)CCCCOCCCCCCCCO 7a_100012022536_100000033203 [0,2,0,0,0,0|1,0,0]=3 8445 B16R0.274 NC(=O)CCCCOCCOCCOCCO 34a_100012022536_100000032323 [0,2,0,0,0,0|2,0,0]=4 8446 B16R0.274 NC(=O)CCCCOCCOCCOCCO 7a_100012022536_100000032323 [0,2,0,0,0,0|2,0,0]=4 8447 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000078944_100102525003 [0,2,0,0,0,0|1,0,0]=3 8448 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000739312_100009813782 [0,2,0,0,0,0|1,0,0]=3 8449 B16R0.274 NC(=O)CCCNCCCOCCOCCO 34a_100011996194_100102525003 [0,2,0,0,0,0|2,0,0]=4 8450 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100102525003 [0,2,0,0,0,0|2,0,0]=4 8451 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100102525003 [0,2,0,0,0,0|2,0,0]=4 8452 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100102525003 [0,2,0,0,0,0|2,0,0]=4 8453 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100102525003 [0,2,0,0,0,0|2,0,0]=4 8454 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100009813782_100102525003 [0,2,0,0,0,0|1,0,0]=3 8455 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100102525003_100009813782 [0,2,0,0,0,0|1,0,0]=3 8456 B16R0.274 NC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000744528 [0,2,0,0,0,0|1,0,0]=3 8457 B16R0.274 NC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000731001 [0,2,0,0,0,0|1,0,0]=3 8458 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000731001 [0,2,0,0,0,0|2,0,0]=4 8459 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000744528 [0,2,0,0,0,0|2,0,0]=4 8460 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000731001 [0,2,0,0,0,0|2,0,0]=4 8461 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000744528 [0,2,0,0,0,0|2,0,0]=4 8462 B16R0.274 NC(=O)CCOCCCCCCCCCCO 34a_100000757172_100009813290 [0,2,0,0,0,0|1,0,0]=3 8463 B16R0.274 NC(=O)CCOCCCCCCCCCCO 7a_100000757172_100009813290 [0,2,0,0,0,0|1,0,0]=3 8464 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100000744528_200000033068 [0,2,0,0,0,0|1,0,0]=3 8465 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000744528 [0,2,0,0,0,0|1,0,0]=3 8466 B16R0.274 NC(=O)CNCCCCCCCCCCCO 2230a_100000711301_100009812471 [0,2,0,0,0,0|1,0,0]=3 8467 B16R0.274 NC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000187820 [0,2,0,0,0,0|2,0,0]=4 8468 B16R0.274 NC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000187820 [0,2,0,0,0,0|2,0,0]=4 8469 B16R0.274 NC(=O)COCCNCCCCCCCCO 2230a_102515433106_100000076697 [0,2,0,0,0,0|1,0,0]=3 8470 B16R0.274 NC(=O)COCCNCCCCCCCCO 34a_102515433106_100000076697 [0,2,0,0,0,0|1,0,0]=3 8471 B16R0.274 NC(=O)COCCOCCCCCCCCBr 34a_100009813846_100000076697 [0,2,0,0,0,0|2,0,0]=4 8472 B16R0.274 NC(=O)COCCOCCCCCCCCBr 7a_100009813846_100000076697 [0,2,0,0,0,0|2,0,0]=4 8473 B16R0.274 NC(=O)COCCOCCCCCCCCCl 34a_100000033203_100000076697 [0,2,0,0,0,0|2,0,0]=4 8474 B16R0.274 NC(=O)COCCOCCCCCCCCCl 7a_100000033203_100000076697 [0,2,0,0,0,0|2,0,0]=4 8475 B16R0.274 NC(=O)COCCSCCCCCCCCO 62a_100000033203_100000076697 [0,2,0,0,0,0|1,0,0]=3 8476 B16R0.274 NC(=O)COCCSCCCCCCCCO 62a_100000076697_100000033203 [0,2,0,0,0,0|1,0,0]=3 8477 B16R0.274 NC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747473 [0,2,0,0,0,0|1,0,0]=3 8478 B16R0.274 NC(=O)NCCNCCCCCCCCCO 2230a_100000078944_200000034859 [0,2,0,0,0,0|1,0,0]=3 8479 B16R0.274 NC(=O)NCCNCCCCCCCCCO 34a_100020590234_100009813782 [0,2,0,0,0,0|1,0,0]=3 8480 B16R0.274 NC(=O)NCCOCCCCCCCCCBr 7a_100009813782_200000034859 [0,2,0,0,0,0|2,0,0]=4 8481 B16R0.274 NC(=O)NCCOCCCCCCCCCCl 7a_100009868337_200000034859 [0,2,0,0,0,0|2,0,0]=4 8482 B16R0.274 NC(=O)NCCOCCCCCCCCCO 34a_100000181757_100009813782 [0,2,0,0,0,0|1,0,0]=3 8483 B16R0.274 NC(=O)NCCSCCCCCCCCCO 62a_100009813782_200000034859 [0,2,0,0,0,0|1,0,0]=3 8484 B16R0.274 NC(=O)NCCSCCCCCCCCCO 62a_200000034859_100009813782 [0,2,0,0,0,0|1,0,0]=3 8485 B16R0.274 NC(=O)OCCNCCCCCCCCCO 34a_100000078944_200011214921 [0,2,0,0,0,0|1,0,0]=3 8486 B16R0.274 NC(=O)OCCOCCCCCCCCCBr 34a_100009813782_200011214921 [0,2,0,0,0,0|2,0,0]=4 8487 B16R0.274 NC(=O)OCCOCCCCCCCCCBr 7a_100009813782_200011214921 [0,2,0,0,0,0|2,0,0]=4 8488 B16R0.274 NC(=O)OCCOCCCCCCCCCCl 34a_100009868337_200011214921 [0,2,0,0,0,0|2,0,0]=4 8489 B16R0.274 NC(=O)OCCOCCCCCCCCCCl 7a_100009868337_200011214921 [0,2,0,0,0,0|2,0,0]=4 8490 B16R0.274 NC(=O)OCCOCCCCCCCCCO 7a_100000766696_100009813782 [0,2,0,0,0,0|1,0,0]=3 8491 B16R0.274 NC(=O)OCCSCCCCCCCCCO 62a_100009813782_200011214921 [0,2,0,0,0,0|1,0,0]=3 8492 B16R0.274 NC(=O)OCCSCCCCCCCCCO 62a_200011214921_100009813782 [0,2,0,0,0,0|1,0,0]=3 8493 B16R0.274 NCCCCCCCCCCOCCC(=O)N 34a_100000066964_100000731001 [0,2,0,0,0,0|2,0,0]=4 8494 B16R0.274 NCCCCCCCCCOCCCC(=O)N 34a_100000078944_100102525003 [0,2,0,0,0,0|2,0,0]=4 8495 B16R0.274 NCCCCCCCCCOCCOC(=O)N 34a_100000078944_200011214921 [0,2,0,0,0,0|2,0,0]=4 8496 B16R0.274 NCCCCCCCCOCCOCC(=O)N 34a_102515433106_100000076697 [0,2,0,0,0,0|2,0,0]=4 8497 B16R0.274 NCCCCCCCOCCCCCC(=O)N 34a_100011996573_100009817443 [0,2,0,0,0,0|2,0,0]=4 8498 B16R0.274 NCCCOCCCOCCCCCC(=O)N 34a_100011310245_100009817443 [0,2,0,0,0,0|2,0,0]=4 8499 B16R0.274 NCCOCCCCCCCCCCC(=O)N 34a_100000210304_200010167045 [0,2,0,0,0,0|2,0,0]=4 8500 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [0,2,0,0,0,0|0,0,0]=2 8501 B16R0.274 O=C(O)CNCCOCCOCCOCCO 269956a_100016091260_100010166562 [0,2,0,0,0,0|2,0,0]=4 8502 B16R0.274 O=C(O)COCCNCCCCCCCCO 269956a_100000700818_100000033203 [0,2,0,0,0,0|0,0,0]=2 8503 B16R0.274 O=C(O)COCCNCCOCCOCCO 269956a_100000700818_100000032323 [0,2,0,0,0,0|2,0,0]=4 8504 B16R0.274 O=C(O)COCCOCCNCCCCCF 269956a_100009854275_100000729378 [0,2,0,0,0,0|2,0,0]=4 8505 B16R0.274 O=C(O)COCCOCCNCCCCCO 269956a_100009854275_100000746330 [0,2,0,0,0,0|1,0,0]=3 8506 B16R0.274 O=C(O)COCCOCCNCCOCCO 269956a_100009854275_100011215305 [0,2,0,0,0,0|2,0,0]=4 8507 B16R0.274 O=C(O)COCCOCCOCCNCCO 269956a_100010423269_100000211926 [0,2,0,0,0,0|2,0,0]=4 8508 B16R0.274 O=C(O)CONCCCCCCCCCCO 269956a_100000106656_100009813290 [0,2,0,0,0,0|0,0,0]=2 8509 B16R0.274 O=C([O-])CCCCCOCCCCCCCO 7a_100102619762_100000760002 [0,2,0,0,0,0|0,0,1]=3 8510 B16R0.274 O=C([O-])COCCCCCCCCCCCBr 34a_100009812471_100020667443 [0,2,0,0,0,0|1,0,1]=4 8511 B16R0.274 O=C([O-])CSCCCCCCCCCCCO 62a_100009812471_100020667443 [0,2,0,0,0,0|0,0,1]=3 8512 B16R0.274 O=[N+]([O-])CCCCOCCCCCCCCO 34a_200015379883_100000033203 [0,2,0,0,0,0|1,0,1]=4 8513 B16R0.274 O=[N+]([O-])CCCCOCCCCCCCCO 7a_200015379883_100000033203 [0,2,0,0,0,0|1,0,1]=4 8514 B16R0.274 O=[N+]([O-])CCCOCCCCCCCCCO 34a_200000037920_100009813782 [0,2,0,0,0,0|1,0,1]=4 8515 B16R0.274 O=[N+]([O-])CSCCCCCCCCCCCO 62a_100009812471_100000761209 [0,2,0,0,0,0|1,0,1]=4 8516 B16R0.274 O=[N+]([O-])OCCCCNCCCCCCCO 34a_100011996573_100015694321 [0,2,0,0,0,0|1,0,1]=4 8517 B16R0.274 O=[N+]([O-])OCCCCSCCCCCCCO 62a_100000760002_100015694321 [0,2,0,0,0,0|1,0,1]=4 8518 B16R0.274 OCCCCCCCCCNCCC=C(F)F 2230a_100000078944_200009816681 [0,2,0,0,0,0|2,0,0]=4 8519 B16R0.274 OCCCCCCCCCNCCC=C(F)F 34a_100000078944_200009816681 [0,2,0,0,0,0|2,0,0]=4 8520 B16R0.274 OCCCCCCCCCSCCC=C(F)F 62a_100009813782_200009816681 [0,2,0,0,0,0|2,0,0]=4 8521 B16R0.274 OCCCCCCCCCSCCC=C(F)F 62a_200009816681_100009813782 [0,2,0,0,0,0|2,0,0]=4 8522 B16R0.274 OCCCCCCCCNCCCCB(O)O 2230a_102515433106_200009817182 [0,2,0,0,0,0|1,0,1]=4 8523 B16R0.274 OCCCCCCCCNCCCCB(O)O 34a_102515433106_200009817182 [0,2,0,0,0,0|1,0,1]=4 8524 B16R0.274 OCCCCCCCCSCCCCB(O)O 62a_100000033203_200009817182 [0,2,0,0,0,0|1,0,1]=4 8525 B16R0.274 OCCCCCCCCSCCCCB(O)O 62a_200009817182_100000033203 [0,2,0,0,0,0|1,0,1]=4 8526 B16R0.274 OCCCCCCCNCCCCCB(O)O 2230a_100011996573_200009817188 [0,2,0,0,0,0|1,0,1]=4 8527 B16R0.274 OCCCCCCCNCCCCCB(O)O 34a_100011996573_200009817188 [0,2,0,0,0,0|1,0,1]=4 8528 B16R0.274 OCCCCCCCSCCCCCB(O)O 62a_100000760002_200009817188 [0,2,0,0,0,0|1,0,1]=4 8529 B16R0.274 OCCCCCCCSCCCCCB(O)O 62a_200009817188_100000760002 [0,2,0,0,0,0|1,0,1]=4 8530 B16R0.274 OCCCCCCNCCCCCCB(O)O 2230a_100000686447_100009817187 [0,2,0,0,0,0|1,0,1]=4 8531 B16R0.274 OCCCCCCNCCCCCCB(O)O 34a_100000686447_100009817187 [0,2,0,0,0,0|1,0,1]=4 8532 B16R0.274 OCCCCCCSCCCCCCB(O)O 62a_100000766143_100009817187 [0,2,0,0,0,0|1,0,1]=4 8533 B16R0.274 OCCCCCCSCCCCCCB(O)O 62a_100009817187_100000766143 [0,2,0,0,0,0|1,0,1]=4 8534 B16R0.274 OCCCOCCCNCCCCCB(O)O 2230a_100011310245_200009817188 [0,2,0,0,0,0|1,0,1]=4 8535 B16R0.274 OCCCOCCCNCCCCCB(O)O 34a_100011310245_200009817188 [0,2,0,0,0,0|1,0,1]=4 8536 B16R0.297 C#CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100153394163 [0,2,0,0,0,0|1,0,1]=4 8537 B16R0.297 C=CCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100012355270 [0,2,0,0,0,0|1,0,1]=4 8538 B16R0.297 CC(=O)NCCC(=O)CCCCCCCCO 1458a_100000183196_100000033203 [0,2,0,0,0,0|1,0,1]=4 8539 B16R0.297 CC(=O)SCCC(=O)CCCCCCCCO 1458a_100000048949_100000033203 [0,2,0,0,0,0|1,0,1]=4 8540 B16R0.297 CC(CCCC(=O)[O-])OCCCCCCCO 7a_100000761597_100000760002 [0,2,0,0,0,0|0,0,1]=3 8541 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210558_100011215641 [0,2,0,0,0,0|2,0,0]=4 8542 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210558_100102525003 [0,2,0,0,0,0|2,0,0]=4 8543 B16R0.297 CCCCCCCCCC(C)OCCC(=O)C 7a_100011218016_100000053229 [0,2,0,0,0,0|2,0,0]=4 8544 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 34a_100011218016_100000731001 [0,2,0,0,0,0|2,0,0]=4 8545 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 7a_100011218016_100000744528 [0,2,0,0,0,0|2,0,0]=4 8546 B16R0.297 CCCCCCCCCN(C)CCCC(=O)C 269982a_100000232482_100011215641 [0,2,0,0,0,0|2,0,0]=4 8547 B16R0.297 CCCCCCCCCN(C)CCCC(=O)N 269982a_100000232482_100102525003 [0,2,0,0,0,0|2,0,0]=4 8548 B16R0.297 CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210670 [0,2,0,0,0,0|1,0,0]=3 8549 B16R0.297 CCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210759 [0,2,0,0,0,0|1,0,1]=4 8550 B16R0.297 CN(CCCC(=O)O)CCOCCOCCO 269956a_100000719178_100000032323 [0,2,0,0,0,0|2,0,0]=4 8551 B16R0.297 CN(CCCCCCCCO)CCCC(=O)O 269956a_100000719178_100000033203 [0,2,0,0,0,0|0,0,0]=2 8552 B16R0.297 COCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011998445 [0,2,0,0,0,0|1,0,1]=4 8553 B16R0.297 NC(=O)CCNC(=O)CCCCCCCCO 240690a_100000740010_100000015970 [0,2,0,0,0,0|1,0,1]=4 8554 B16R0.297 NC(=O)COCC(=O)CCCCCCCCO 1458a_100011219004_100000033203 [0,2,0,0,0,0|1,0,1]=4 8555 B16R0.297 NC(=O)NCCC(=O)CCCCCCCCO 1458a_100000181464_100000033203 [0,2,0,0,0,0|1,0,1]=4 8556 B16R0.297 O=C(CCCCCCCCO)CCC[N+](=O)[O-] 1458a_100016109205_100000033203 [0,2,0,0,0,0|1,0,1]=4 8557 B16R0.1188 CC(C)(O)CCCCCNCCCCCCO 2230a_100000686447_100010402123 [0,2,0,0,0,0|1,0,1]=4 8558 B16R0.1188 CC(C)(O)CCCCCNCCCCCCO 34a_100000686447_100010402123 [0,2,0,0,0,0|1,0,1]=4 8559 B16R0.1188 CC(C)(O)CCCCCSCCCCCCO 62a_100000766143_100010402123 [0,2,0,0,0,0|1,0,1]=4 8560 B16R0.1188 CC(C)(O)CCCCCSCCCCCCO 62a_100010402123_100000766143 [0,2,0,0,0,0|1,0,1]=4 8561 B16R0.1188 CC(C)(O)CCCNCCCCCCCCO 2230a_102515433106_100009888830 [0,2,0,0,0,0|1,0,1]=4 8562 B16R0.1188 CC(C)(O)CCCNCCCCCCCCO 34a_102515433106_100009888830 [0,2,0,0,0,0|1,0,1]=4 8563 B16R0.1188 CC(C)(O)CCCSCCCCCCCCO 62a_100000033203_100009888830 [0,2,0,0,0,0|1,0,1]=4 8564 B16R0.1188 CC(C)(O)CCCSCCCCCCCCO 62a_100009888830_100000033203 [0,2,0,0,0,0|1,0,1]=4 8565 B16R0.1188 CC(C)(O)CCNCCCCCCCCCO 2230a_100000078944_100000702414 [0,2,0,0,0,0|1,0,1]=4 8566 B16R0.1188 CC(C)(O)CCNCCCCCCCCCO 34a_100000078944_100000702414 [0,2,0,0,0,0|1,0,1]=4 8567 B16R0.1188 CC(C)(O)CCSCCCCCCCCCO 62a_100000702414_100009813782 [0,2,0,0,0,0|1,0,1]=4 8568 B16R0.1188 CC(C)(O)CCSCCCCCCCCCO 62a_100009813782_100000702414 [0,2,0,0,0,0|1,0,1]=4 8569 B16R0.1188 CC(C)(O)CNCCCCCCCCCCO 2230a_100000751335_100009813290 [0,2,0,0,0,0|1,0,1]=4 8570 B16R0.1188 CC(C)(O)CNCCCCCCCCCCO 34a_100000066964_100000764493 [0,2,0,0,0,0|1,0,1]=4 8571 B16R0.1188 CC(C)(O)CSCCCCCCCCCCO 62a_100000764493_200000033068 [0,2,0,0,0,0|1,0,1]=4 8572 B16R0.1188 CC(C)(O)CSCCCCCCCCCCO 62a_100009813290_100000764493 [0,2,0,0,0,0|1,0,1]=4 8573 B16R0.1188 CS(=O)(=O)CCCNCCCCCCCCO 2230a_100000742409_100000033203 [0,2,0,0,0,0|1,0,1]=4 8574 B16R0.1188 CS(=O)(=O)CCCNCCCCCCCCO 2230a_102515433106_100000754308 [0,2,0,0,0,0|1,0,1]=4 8575 B16R0.1188 CS(=O)(=O)CCCNCCCCCCCCO 34a_100000742409_100000033203 [0,2,0,0,0,0|1,0,1]=4 8576 B16R0.1188 CS(=O)(=O)CCCNCCCCCCCCO 34a_102515433106_100000754308 [0,2,0,0,0,0|1,0,1]=4 8577 B16R0.1188 CS(=O)(=O)CCCOCCCCCCCCO 34a_100000689940_100000033203 [0,2,0,0,0,0|1,0,1]=4 8578 B16R0.1188 CS(=O)(=O)CCCOCCCCCCCCO 7a_100000689940_100000033203 [0,2,0,0,0,0|1,0,1]=4 8579 B16R0.1188 CS(=O)(=O)CCCSCCCCCCCCO 62a_100000033203_100000754308 [0,2,0,0,0,0|1,0,1]=4 8580 B16R0.1188 CS(=O)(=O)CCCSCCCCCCCCO 62a_100000754308_100000033203 [0,2,0,0,0,0|1,0,1]=4 8581 B16R0.1188 CS(=O)(=O)CCNCCCCCCCCCO 2230a_100000078944_100000731031 [0,2,0,0,0,0|1,0,1]=4 8582 B16R0.1188 CS(=O)(=O)CCNCCCCCCCCCO 2230a_100000740961_100009813782 [0,2,0,0,0,0|1,0,1]=4 8583 B16R0.1188 CS(=O)(=O)CCNCCCCCCCCCO 34a_100000078944_100000731031 [0,2,0,0,0,0|1,0,1]=4 8584 B16R0.1188 CS(=O)(=O)CCNCCCCCCCCCO 34a_100000740961_100009813782 [0,2,0,0,0,0|1,0,1]=4 8585 B16R0.1188 CS(=O)(=O)CCOCCCCCCCCCO 34a_100000211924_100009813782 [0,2,0,0,0,0|1,0,1]=4 8586 B16R0.1188 CS(=O)(=O)CCOCCCCCCCCCO 7a_100000211924_100009813782 [0,2,0,0,0,0|1,0,1]=4 8587 B16R0.1188 CS(=O)(=O)CCSCCCCCCCCCO 62a_100000731031_100009813782 [0,2,0,0,0,0|1,0,1]=4 8588 B16R0.1188 CS(=O)(=O)CCSCCCCCCCCCO 62a_100009813782_100000230027 [0,2,0,0,0,0|1,0,1]=4 8589 B16R0.1188 NS(=O)(=O)CCCNCCCCCCCCO 2230a_102515433106_100000750626 [0,2,0,0,0,0|1,0,1]=4 8590 B16R0.1188 NS(=O)(=O)CCCNCCCCCCCCO 34a_102515433106_100000750626 [0,2,0,0,0,0|1,0,1]=4 8591 B16R0.1188 NS(=O)(=O)CCCSCCCCCCCCO 62a_100000033203_100000750626 [0,2,0,0,0,0|1,0,1]=4 8592 B16R0.1188 NS(=O)(=O)CCCSCCCCCCCCO 62a_100000750626_100000033203 [0,2,0,0,0,0|1,0,1]=4 8593 B16R0.1188 NS(=O)(=O)CCNCCCCCCCCCO 2230a_100000738205_100009813782 [0,2,0,0,0,0|1,0,1]=4 8594 B16R0.1188 NS(=O)(=O)CCNCCCCCCCCCO 34a_100000738205_100009813782 [0,2,0,0,0,0|1,0,1]=4 8595 B16R0.1188 NS(=O)(=O)CCOCCCCCCCCCO 34a_100012334274_100009813782 [0,2,0,0,0,0|1,0,1]=4 8596 B16R0.1188 NS(=O)(=O)CSCCCCCCCCCCO 62a_100000741382_200000033068 [0,2,0,0,0,0|1,0,1]=4 8597 B16R0.1188 NS(=O)(=O)CSCCCCCCCCCCO 62a_100009813290_100000741382 [0,2,0,0,0,0|1,0,1]=4 8598 B16R0.1188 O=S(=O)([O-])CCCNCCCCCCCCO 34a_102515433106_100009813499 [0,2,0,0,0,0|1,0,1]=4 8599 B16R0.1188 O=S(=O)([O-])CCCSCCCCCCCCO 62a_100000033203_100009813499 [0,2,0,0,0,0|1,0,1]=4 8600 B16R0.1188 O=S(=O)([O-])CCCSCCCCCCCCO 62a_100009813499_100000033203 [0,2,0,0,0,0|1,0,1]=4 8601 B16R0.1188 O=S(=O)([O-])CCNCCCCCCCCCO 2230a_100000078944_100000737633 [0,2,0,0,0,0|1,0,1]=4 8602 B16R0.1188 O=S(=O)([O-])CCNCCCCCCCCCO 34a_100000078944_100000762736 [0,2,0,0,0,0|1,0,1]=4 8603 B16R0.1188 O=S(=O)([O-])CCSCCCCCCCCCO 62a_100000762736_100009813782 [0,2,0,0,0,0|1,0,1]=4 8604 B16R0.1188 O=S(=O)([O-])CCSCCCCCCCCCO 62a_100009813782_100000762736 [0,2,0,0,0,0|1,0,1]=4 8605 B16R0.1188 O=S(=O)([O-])CNCCCCCCCCCCO 34a_100000066964_100009817235 [0,2,0,0,0,0|1,0,1]=4 8606 B16R0.1188 O=S(=O)([O-])CSCCCCCCCCCCO 62a_100009813290_100009817235 [0,2,0,0,0,0|1,0,1]=4 8607 B16R0.1188 O=S(=O)([O-])CSCCCCCCCCCCO 62a_100009817235_200000033068 [0,2,0,0,0,0|1,0,1]=4 8608 B16R0.1469 NCCCC[C@H](N)COCCCCCC(=O)N 34a_100016993712_100009817443 [0,2,0,0,0,0|2,0,0]=4 8609 B16R0.3288 CC(=O)CCCCNCCCCCCC(C)C 34a_100000211014_100009817362 [0,2,0,0,0,0|2,0,0]=4 8610 B16R0.3288 CC(=O)CCCCSCCCCCCB(O)O 62a_100000735457_100009817187 [0,2,0,0,0,0|2,0,0]=4 8611 B16R0.3288 CC(=O)CCCCSCCCCCCB(O)O 62a_100009817187_100000735457 [0,2,0,0,0,0|2,0,0]=4 8612 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000685027 [0,2,0,0,0,0|2,0,0]=4 8613 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100011215641 [0,2,0,0,0,0|2,0,0]=4 8614 B16R0.3288 CC(=O)NCCCCCCNCCCC(C)O 2230a_200011996284_200000718107 [0,2,0,0,0,0|2,0,0]=4 8615 B16R0.3288 CC(=O)NCCCCCCNCCCC(C)O 34a_200011996284_200000718107 [0,2,0,0,0,0|2,0,0]=4 8616 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 34a_200000210741_100102525003 [0,2,0,0,0,0|2,0,0]=4 8617 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 7a_200000210741_100102525003 [0,2,0,0,0,0|2,0,0]=4 8618 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 2230a_100011290863_100009817443 [0,2,0,0,0,0|2,0,0]=4 8619 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 34a_100011290863_100009817443 [0,2,0,0,0,0|2,0,0]=4 8620 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100000123541_100000210682 [0,2,0,0,0,0|2,0,0]=4 8621 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100011995859_100009817443 [0,2,0,0,0,0|2,0,0]=4 8622 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100000123541_100000210682 [0,2,0,0,0,0|2,0,0]=4 8623 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100011995859_100009817443 [0,2,0,0,0,0|2,0,0]=4 8624 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210682 [0,2,0,0,0,0|1,0,1]=4 8625 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100000210682_100009817443 [0,2,0,0,0,0|2,0,0]=4 8626 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100009817443_100000210682 [0,2,0,0,0,0|2,0,0]=4 8627 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 2230a_100138425928_200010167045 [0,2,0,0,0,0|2,0,0]=4 8628 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 34a_100138425928_200010167045 [0,2,0,0,0,0|2,0,0]=4 8629 B16R0.3288 CC(C)OCCCCCCCCCCC(=O)N 34a_100000212225_200010167045 [0,2,0,0,0,0|2,0,0]=4 8630 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_100000210206_200010167045 [0,2,0,0,0,0|2,0,0]=4 8631 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000210206 [0,2,0,0,0,0|2,0,0]=4 8632 B16R0.3288 CC(O)CCCNCCOCCOCC(=O)O 269956a_100009854275_200000718107 [0,2,0,0,0,0|2,0,0]=4 8633 B16R0.3288 NC(=O)CCCCCOCCCCCB(O)O 34a_100000123541_200009817188 [0,2,0,0,0,0|2,0,0]=4 8634 B16R0.3288 NC(=O)CCCCCOCCCCCB(O)O 7a_100000123541_200009817188 [0,2,0,0,0,0|2,0,0]=4 8635 B16R0.3288 NC(=O)CCCCCSCCCCCB(O)O 62a_100009817443_200009817188 [0,2,0,0,0,0|2,0,0]=4 8636 B16R0.3288 NC(=O)CCCCCSCCCCCB(O)O 62a_200009817188_100009817443 [0,2,0,0,0,0|2,0,0]=4 8637 B16R0.3288 NC(=O)CCCCNCCCCCCB(O)O 34a_100000696515_100009817187 [0,2,0,0,0,0|2,0,0]=4 8638 B16R0.3288 NC(=O)CCCCOCCCCCCB(O)O 34a_100012022536_100009817187 [0,2,0,0,0,0|2,0,0]=4 8639 B16R0.3288 NC(=O)CCCCOCCCCCCB(O)O 7a_100012022536_100009817187 [0,2,0,0,0,0|2,0,0]=4 8640 B16R0.3288 O=C(O)COCCNCCCCCCB(O)O 269956a_100000700818_100009817187 [0,2,0,0,0,0|2,0,0]=4 8641 B16R0.3288 O=C([O-])CCCCCOCCCCCB(O)O 7a_100102619762_200009817188 [0,2,0,0,0,0|1,0,1]=4 8642 B16R0.331 CN(CCCCCCB(O)O)CCCC(=O)O 269956a_100000719178_100009817187 [0,2,0,0,0,0|2,0,0]=4 8643 B16R0.2309 CC(=O)CCCCSCCCCCC(C)(C)O 62a_100000735457_100010402123 [0,2,0,0,0,0|2,0,0]=4 8644 B16R0.2309 CC(=O)CCCCSCCCCCC(C)(C)O 62a_100010402123_100000735457 [0,2,0,0,0,0|2,0,0]=4 8645 B16R0.2309 CC(C)(O)CCCCCNCCCCC(=O)N 34a_100000696515_100010402123 [0,2,0,0,0,0|2,0,0]=4 8646 B16R0.2309 CC(C)(O)CCCCCNCCOCC(=O)O 269956a_100000700818_100010402123 [0,2,0,0,0,0|2,0,0]=4 8647 B16R0.2309 CC(C)(O)CCCCCOCCCCC(=O)N 34a_100012022536_100010402123 [0,2,0,0,0,0|2,0,0]=4 8648 B16R0.2309 CC(C)(O)CCCCCOCCCCC(=O)N 7a_100012022536_100010402123 [0,2,0,0,0,0|2,0,0]=4 8649 B16R0.999 CC(C)(CO)CCCNCCCCCC(=O)N 2230a_100000039164_100009817443 [0,2,0,0,0,0|2,0,0]=4 8650 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [1,0,0,1,0,0|2,0,0]=4 8651 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [1,0,0,1,0,0|2,0,0]=4 8652 B14R1.26 O=C1CCCC(C1)OCCCCCO 34a_100012613340_100000746330 [1,0,0,1,0,0|2,0,0]=4 8653 B14R1.26 O=C1CCCC(N1)COCCCCO 34a_200000102386_100011216708 [1,0,0,1,0,0|2,0,0]=4 8654 B14R1.96 CC(=O)CCCN1CCCCC1CO 269982a_100000210821_100011215641 [1,0,0,1,0,0|2,0,0]=4 8655 B14R1.96 CC(=O)CCCN1CCCCC1CO 34a_100000210821_100000685027 [1,0,0,1,0,0|2,0,0]=4 8656 B14R1.96 CCC1CCCCC1NCCC(=O)N 269862a_100000740010_100000757040 [1,0,0,1,0,0|2,0,0]=4 8657 B14R1.96 CCC1CCCCC1OCCC(=O)C 7a_100000210738_100000053229 [1,0,0,1,0,0|2,0,0]=4 8658 B14R1.96 CCC1CCCCC1OCCC(=O)N 34a_100000210738_100000731001 [1,0,0,1,0,0|2,0,0]=4 8659 B14R1.96 CCC1CCCCC1OCCC(=O)N 7a_100000210738_100000744528 [1,0,0,1,0,0|2,0,0]=4 8660 B14R1.96 CCC1CCCCN1CCCC(=O)C 269982a_100000210034_100011215641 [1,0,0,1,0,0|2,0,0]=4 8661 B14R1.96 CCC1CCCCN1CCCC(=O)C 34a_100000210034_100000685027 [1,0,0,1,0,0|2,0,0]=4 8662 B14R1.96 CCC1CCCCN1CCCC(=O)N 269982a_100000210034_100102525003 [1,0,0,1,0,0|2,0,0]=4 8663 B14R1.96 CCC1CCCCN1CCCC(=O)N 34a_100000210034_100102525003 [1,0,0,1,0,0|2,0,0]=4 8664 B14R1.96 NC(=O)CCCN1CCCCC1CO 269982a_100000210821_100102525003 [1,0,0,1,0,0|2,0,0]=4 8665 B14R1.96 NC(=O)CCCN1CCCCC1CO 34a_100000210821_100102525003 [1,0,0,1,0,0|2,0,0]=4 8666 B14R1.108 CC(=O)CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000735457 [1,0,0,1,0,0|2,0,0]=4 8667 B14R1.108 CC(=O)CCCCN1CCC[C@@H]1CO 34a_100000745186_100009817362 [1,0,0,1,0,0|2,0,0]=4 8668 B14R1.108 CCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000749056 [1,0,0,1,0,0|2,0,0]=4 8669 B14R1.108 CCC1CCCN1CCCCC(=O)C 269982a_100000754278_100000735457 [1,0,0,1,0,0|2,0,0]=4 8670 B14R1.108 CCC1CCCN1CCCCC(=O)C 34a_100000754278_100009817362 [1,0,0,1,0,0|2,0,0]=4 8671 B14R1.122 CCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210614 [1,0,0,1,0,0|2,0,0]=4 8672 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [1,0,0,1,0,0|2,0,0]=4 8673 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [1,0,0,1,0,0|2,0,0]=4 8674 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [1,0,0,1,0,0|2,0,0]=4 8675 B14R1.122 CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000210581_100015189358 [1,0,0,1,0,0|2,0,0]=4 8676 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210314 [1,0,0,1,0,0|2,0,0]=4 8677 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210314 [1,0,0,1,0,0|2,0,0]=4 8678 B14R1.122 CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210314 [1,0,0,1,0,0|2,0,0]=4 8679 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [1,0,0,1,0,0|2,0,0]=4 8680 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [1,0,0,1,0,0|2,0,0]=4 8681 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [1,0,0,1,0,0|2,0,0]=4 8682 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [1,0,0,1,0,0|2,0,0]=4 8683 B14R1.122 CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210259_100015189358 [1,0,0,1,0,0|2,0,0]=4 8684 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [1,0,0,1,0,0|2,0,0]=4 8685 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [1,0,0,1,0,0|2,0,0]=4 8686 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [1,0,0,1,0,0|2,0,0]=4 8687 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [1,0,0,1,0,0|2,0,0]=4 8688 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210314_100015189358 [1,0,0,1,0,0|2,0,0]=4 8689 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210757 [1,0,0,1,0,0|2,0,0]=4 8690 B14R1.122 O=C1CCC(C1)OCCCCCCO 34a_100012614533_100000766143 [1,0,0,1,0,0|2,0,0]=4 8691 B14R1.122 O=C1CCC(N1)COCCCCCO 34a_100000737831_100000746330 [1,0,0,1,0,0|2,0,0]=4 8692 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 2230a_100015423886_100000746330 [1,0,0,1,0,0|2,0,0]=4 8693 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 34a_100015423886_100000746330 [1,0,0,1,0,0|2,0,0]=4 8694 B14R1.122 O=C1CC[C@H](N1)CNCCCCCO 2230a_100000762737_100015189358 [1,0,0,1,0,0|2,0,0]=4 8695 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100000746330_100015189358 [1,0,0,1,0,0|2,0,0]=4 8696 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100015189358_100000746330 [1,0,0,1,0,0|2,0,0]=4 8697 B14R1.122 O=C1NCC(O1)CNCCCCCO 2230a_100000762737_100000181169 [1,0,0,1,0,0|2,0,0]=4 8698 B14R1.122 O=C1NCC(O1)CNCCCCCO 34a_100000762737_100000181169 [1,0,0,1,0,0|2,0,0]=4 8699 B14R1.122 O=C1NCC(O1)COCCCCCO 34a_100011315639_100000746330 [1,0,0,1,0,0|2,0,0]=4 8700 B14R1.122 O=C1NCC(O1)CSCCCCCO 62a_100000181169_100000746330 [1,0,0,1,0,0|2,0,0]=4 8701 B14R1.122 O=C1NCC(O1)CSCCCCCO 62a_100000746330_100000181169 [1,0,0,1,0,0|2,0,0]=4 8702 B14R1.122 O=C1OCC(O1)CNCCCCCO 34a_100000762737_100000073702 [1,0,0,1,0,0|2,0,0]=4 8703 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000073702_100000746330 [1,0,0,1,0,0|2,0,0]=4 8704 B14R1.122 O=C1OCC(O1)CSCCCCCO 62a_100000746330_100000073702 [1,0,0,1,0,0|2,0,0]=4 8705 B14R1.122 O=C1OCC(O1)NCCCCCCO 34a_100000686447_100000032252 [1,0,0,1,0,0|2,0,0]=4 8706 B14R1.122 O=C1OCC(O1)SCCCCCCO 62a_100000766143_100000032252 [1,0,0,1,0,0|2,0,0]=4 8707 B14R1.159 CC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000735457 [1,0,0,1,0,0|2,0,0]=4 8708 B14R1.159 CC(=O)CCCCN1CCCCC1C 34a_100000211376_100009817362 [1,0,0,1,0,0|2,0,0]=4 8709 B14R1.159 CC(=O)CCCNC1CCCCC1C 34a_100000211402_100000685027 [1,0,0,1,0,0|2,0,0]=4 8710 B14R1.159 CC(=O)CCCOC1CCCCC1C 34a_100000211207_100000685027 [1,0,0,1,0,0|2,0,0]=4 8711 B14R1.159 CC(=O)CCCOC1CCCCC1C 7a_100000211207_100011215641 [1,0,0,1,0,0|2,0,0]=4 8712 B14R1.159 CC(=O)CCCOC1CCCCC1O 34a_100000759063_100000038908 [1,0,0,1,0,0|2,0,0]=4 8713 B14R1.159 CC(=O)CCCSC1CCCCC1O 62a_100000038908_100011215641 [1,0,0,1,0,0|2,0,0]=4 8714 B14R1.159 CC(=O)CCCSC1CCCCC1O 62a_100011215641_100000038908 [1,0,0,1,0,0|2,0,0]=4 8715 B14R1.159 CC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000210921 [1,0,0,1,0,0|2,0,0]=4 8716 B14R1.159 CC1CCCCC1NCCCC(=O)N 34a_100000211402_100102525003 [1,0,0,1,0,0|2,0,0]=4 8717 B14R1.159 CC1CCCCC1OCCCC(=O)N 34a_100000211207_100102525003 [1,0,0,1,0,0|2,0,0]=4 8718 B14R1.159 CC1CCCCC1OCCCC(=O)N 7a_100000211207_100102525003 [1,0,0,1,0,0|2,0,0]=4 8719 B14R1.159 CN1CCCCC1CCNCC(=O)O 269956a_100016091260_100000211948 [1,0,0,1,0,0|2,0,0]=4 8720 B14R1.159 NC(=O)CCCNC1CCCCC1O 34a_100000739312_100000038908 [1,0,0,1,0,0|2,0,0]=4 8721 B14R1.159 NC(=O)CCCSC1CCCCC1O 62a_100000038908_100102525003 [1,0,0,1,0,0|2,0,0]=4 8722 B14R1.159 NC(=O)CCCSC1CCCCC1O 62a_100102525003_100000038908 [1,0,0,1,0,0|2,0,0]=4 8723 B14R1.159 NC(=O)CCNCC1CCCCC1O 34a_100011216029_100000731001 [1,0,0,1,0,0|2,0,0]=4 8724 B14R1.168 CC(=O)CCCCOC1CCCC1C 34a_100011216460_100009817362 [1,0,0,1,0,0|2,0,0]=4 8725 B14R1.168 CC(=O)CCCCOC1CCCC1C 7a_100011216460_100000735457 [1,0,0,1,0,0|2,0,0]=4 8726 B14R1.168 CC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_100000735457_200016002552 [1,0,0,1,0,0|2,0,0]=4 8727 B14R1.168 CC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000735457 [1,0,0,1,0,0|2,0,0]=4 8728 B14R1.168 CC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000752053 [1,0,0,1,0,0|2,0,0]=4 8729 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 2230a_100015189458_100009817443 [1,0,0,1,0,0|2,0,0]=4 8730 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 269982a_100015189458_100009817443 [1,0,0,1,0,0|2,0,0]=4 8731 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 34a_100015189458_100009817443 [1,0,0,1,0,0|2,0,0]=4 8732 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 2230a_100020605311_100009817443 [1,0,0,1,0,0|2,0,0]=4 8733 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 269982a_100020605311_100009817443 [1,0,0,1,0,0|2,0,0]=4 8734 B14R1.168 O=C(O)COCCN[C@@H]1CCC[C@H]1O 269956a_100000700818_200016002552 [1,0,0,1,0,0|2,0,0]=4 8735 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210314 [1,0,0,1,0,0|2,0,0]=4 8736 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [1,0,0,1,0,0|1,0,0]=3 8737 B14R1.233 CCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210757 [1,0,0,1,0,0|2,0,0]=4 8738 B14R1.233 CCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210757 [1,0,0,1,0,0|2,0,0]=4 8739 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011995733 [1,0,0,1,0,0|2,0,0]=4 8740 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215938 [1,0,0,1,0,0|2,0,0]=4 8741 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012232248 [1,0,0,1,0,0|2,0,0]=4 8742 B14R1.233 COCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730899 [1,0,0,1,0,0|2,0,0]=4 8743 B14R1.233 NC(=O)[C@@H]1CCCN1CCCCCO 2230a_100000003125_100000746330 [1,0,0,1,0,0|2,0,0]=4 8744 B14R1.233 O=C(O)C1SCCN1CCCCCO 269956a_100000035718_100000746330 [1,0,0,1,0,0|2,0,0]=4 8745 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCF 269956a_100000743916_100000729378 [1,0,0,1,0,0|2,0,0]=4 8746 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCO 269956a_100000743916_100000746330 [1,0,0,1,0,0|1,0,0]=3 8747 B14R1.233 O=C(O)[C@@H]1CCCN1CCOCCO 269956a_100000743916_100011215305 [1,0,0,1,0,0|2,0,0]=4 8748 B14R1.233 O=C(O)[C@@H]1CSCN1CCCCCO 269956a_100000743924_100000746330 [1,0,0,1,0,0|2,0,0]=4 8749 B14R1.241 CC1CC1COCCCCCC(=O)N 34a_100000744939_100009817443 [1,0,0,1,0,0|2,0,0]=4 8750 B14R1.241 CC1CC1COCCCCCC(=O)N 7a_100000744939_100009817443 [1,0,0,1,0,0|2,0,0]=4 8751 B14R1.422 CC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000210301 [1,0,0,1,0,0|2,0,0]=4 8752 B14R1.422 CC(=O)CCCCNC1CCCCC1 34a_100000182618_100009817362 [1,0,0,1,0,0|2,0,0]=4 8753 B14R1.422 CC(=O)CCCCOC1CCCCC1 34a_100000210231_100009817362 [1,0,0,1,0,0|2,0,0]=4 8754 B14R1.422 CC(=O)CCCCOC1CCCCC1 7a_100000210231_100000735457 [1,0,0,1,0,0|2,0,0]=4 8755 B14R1.422 CC(=O)CCCCOC1CCCCO1 1458a_100000070787_100000031530 [1,0,0,1,0,0|2,0,0]=4 8756 B14R1.422 CC(=O)CCCCOC1CCCCO1 34a_100000033831_100009817362 [1,0,0,1,0,0|2,0,0]=4 8757 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000210327_100000735457 [1,0,0,1,0,0|2,0,0]=4 8758 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000735457_100000210327 [1,0,0,1,0,0|2,0,0]=4 8759 B14R1.422 CC(=O)CCCNCC1CCCCC1 34a_100000210473_100000685027 [1,0,0,1,0,0|2,0,0]=4 8760 B14R1.422 CC(=O)CCCNCC1CCCCO1 34a_100000174945_100000685027 [1,0,0,1,0,0|2,0,0]=4 8761 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000212181_100000685027 [1,0,0,1,0,0|2,0,0]=4 8762 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000759063_100000211423 [1,0,0,1,0,0|2,0,0]=4 8763 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000212181_100011215641 [1,0,0,1,0,0|2,0,0]=4 8764 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000759063_100000211423 [1,0,0,1,0,0|2,0,0]=4 8765 B14R1.422 CC(=O)CCCOCC1CCCCO1 34a_100000211370_100000685027 [1,0,0,1,0,0|2,0,0]=4 8766 B14R1.422 CC(=O)CCCOCC1CCCCO1 34a_100000759063_100000211543 [1,0,0,1,0,0|2,0,0]=4 8767 B14R1.422 CC(=O)CCCOCC1CCCCO1 7a_100000211370_100011215641 [1,0,0,1,0,0|2,0,0]=4 8768 B14R1.422 CC(=O)CCCOCC1CCCCO1 7a_100000759063_100000211543 [1,0,0,1,0,0|2,0,0]=4 8769 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100000211423_100011215641 [1,0,0,1,0,0|2,0,0]=4 8770 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100011215641_100000211423 [1,0,0,1,0,0|2,0,0]=4 8771 B14R1.422 CC(=O)CCCSCC1CCCCO1 62a_100000211543_100011215641 [1,0,0,1,0,0|2,0,0]=4 8772 B14R1.422 CC(=O)CCCSCC1CCCCO1 62a_100011215641_100000211543 [1,0,0,1,0,0|2,0,0]=4 8773 B14R1.422 CC(=O)CCOCCC1CCCCC1 34a_100000759926_100011209188 [1,0,0,1,0,0|2,0,0]=4 8774 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100000759926_100011273959 [1,0,0,1,0,0|2,0,0]=4 8775 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100011217863_100000053229 [1,0,0,1,0,0|2,0,0]=4 8776 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100000053229_100012355289 [1,0,0,1,0,0|2,0,0]=4 8777 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100012355289_100000053229 [1,0,0,1,0,0|2,0,0]=4 8778 B14R1.422 CC(=O)COCCCC1CCCCC1 34a_100000211253_100011713725 [1,0,0,1,0,0|2,0,0]=4 8779 B14R1.422 NC(=O)CCCCNC1CCCCC1 270004a_100000696515_100000210434 [1,0,0,1,0,0|2,0,0]=4 8780 B14R1.422 NC(=O)CCCCNC1CCCCC1 34a_100000696515_100000210327 [1,0,0,1,0,0|2,0,0]=4 8781 B14R1.422 NC(=O)CCCCOC1CCCCC1 34a_100012022536_100000210327 [1,0,0,1,0,0|2,0,0]=4 8782 B14R1.422 NC(=O)CCCCOC1CCCCC1 7a_100012022536_100000210327 [1,0,0,1,0,0|2,0,0]=4 8783 B14R1.422 NC(=O)CCCNCC1CCCCC1 269862a_100000739312_100000211278 [1,0,0,1,0,0|2,0,0]=4 8784 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000210473_100102525003 [1,0,0,1,0,0|2,0,0]=4 8785 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000739312_100000211423 [1,0,0,1,0,0|2,0,0]=4 8786 B14R1.422 NC(=O)CCCNCC1CCCCO1 34a_100000174945_100102525003 [1,0,0,1,0,0|2,0,0]=4 8787 B14R1.422 NC(=O)CCCNCC1CCCCO1 34a_100000739312_100000211543 [1,0,0,1,0,0|2,0,0]=4 8788 B14R1.422 NC(=O)CCCOCC1CCCCC1 34a_100000212181_100102525003 [1,0,0,1,0,0|2,0,0]=4 8789 B14R1.422 NC(=O)CCCOCC1CCCCC1 7a_100000212181_100102525003 [1,0,0,1,0,0|2,0,0]=4 8790 B14R1.422 NC(=O)CCCOCC1CCCCO1 34a_100000211370_100102525003 [1,0,0,1,0,0|2,0,0]=4 8791 B14R1.422 NC(=O)CCCOCC1CCCCO1 7a_100000211370_100102525003 [1,0,0,1,0,0|2,0,0]=4 8792 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100000211423_100102525003 [1,0,0,1,0,0|2,0,0]=4 8793 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100102525003_100000211423 [1,0,0,1,0,0|2,0,0]=4 8794 B14R1.422 NC(=O)CCCSCC1CCCCO1 62a_100000211543_100102525003 [1,0,0,1,0,0|2,0,0]=4 8795 B14R1.422 NC(=O)CCCSCC1CCCCO1 62a_100102525003_100000211543 [1,0,0,1,0,0|2,0,0]=4 8796 B14R1.422 NC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000744528 [1,0,0,1,0,0|2,0,0]=4 8797 B14R1.422 NC(=O)CCNCCC1CCCCC1 34a_100000738074_100000731001 [1,0,0,1,0,0|2,0,0]=4 8798 B14R1.422 NC(=O)CCNCCC1CCCCO1 2230a_100015183643_100000744528 [1,0,0,1,0,0|2,0,0]=4 8799 B14R1.422 NC(=O)CCNCCC1CCCCO1 34a_100015183643_100000731001 [1,0,0,1,0,0|2,0,0]=4 8800 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100000757172_100011209188 [1,0,0,1,0,0|2,0,0]=4 8801 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100011217863_100000731001 [1,0,0,1,0,0|2,0,0]=4 8802 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100000757172_100011273959 [1,0,0,1,0,0|2,0,0]=4 8803 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100011217863_100000744528 [1,0,0,1,0,0|2,0,0]=4 8804 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100000744528_100012355289 [1,0,0,1,0,0|2,0,0]=4 8805 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100012355289_100000744528 [1,0,0,1,0,0|2,0,0]=4 8806 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100000711301_100011713725 [1,0,0,1,0,0|2,0,0]=4 8807 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747473 [1,0,0,1,0,0|2,0,0]=4 8808 B14R1.422 NC(=O)CNCCCC1CCCCC1 34a_100011211642_100000187820 [1,0,0,1,0,0|2,0,0]=4 8809 B14R1.422 NC(=O)COCCCC1CCCCC1 34a_100000198086_100000187820 [1,0,0,1,0,0|2,0,0]=4 8810 B14R1.422 NC(=O)COCCCC1CCCCC1 7a_100000198086_100000187820 [1,0,0,1,0,0|2,0,0]=4 8811 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100000747473_100011713725 [1,0,0,1,0,0|2,0,0]=4 8812 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747473 [1,0,0,1,0,0|2,0,0]=4 8813 B14R1.422 O=C(O)CNCCCC1CCCCC1 269956a_100016091260_100011713725 [1,0,0,1,0,0|1,0,0]=3 8814 B14R1.422 O=C(O)CNCCCN1CCCCC1 269956a_100016091260_100000007876 [1,0,0,1,0,0|2,0,0]=4 8815 B14R1.422 O=C(O)CNCCOC1CCCCC1 269956a_100016091260_100011211530 [1,0,0,1,0,0|2,0,0]=4 8816 B14R1.422 O=C(O)CNCCOC1CCCCO1 269956a_100016091260_100000744793 [1,0,0,1,0,0|2,0,0]=4 8817 B14R1.422 O=C(O)COCCNC1CCCCC1 269956a_100000700818_100000210327 [1,0,0,1,0,0|2,0,0]=4 8818 B14R1.422 O=C(O)CONCCC1CCCCC1 269956a_100000106656_100011273959 [1,0,0,1,0,0|2,0,0]=4 8819 B14R1.422 O=C([O-])CNCCCC1CCCCC1 34a_100011211642_100020667443 [1,0,0,1,0,0|1,0,1]=4 8820 B14R1.422 O=C([O-])COCCCC1CCCCC1 34a_100000198086_100020667443 [1,0,0,1,0,0|1,0,1]=4 8821 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100011713725_100020667443 [1,0,0,1,0,0|1,0,1]=4 8822 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100020667443_100011713725 [1,0,0,1,0,0|1,0,1]=4 8823 B14R1.422 [13CH3]C(=O)CCCCCN1CCCCC1 1458a_100012051570_200025704644 [1,0,0,1,0,0|2,0,0]=4 8824 B14R1.427 CC(=O)CCCCNCC1CCCC1 34a_100000737975_100009817362 [1,0,0,1,0,0|2,0,0]=4 8825 B14R1.427 CC(=O)CCCCNC[C@@H]1CCCO1 34a_100020590478_100009817362 [1,0,0,1,0,0|2,0,0]=4 8826 B14R1.427 CC(=O)CCCCOCC1CCCC1 34a_100000742336_100009817362 [1,0,0,1,0,0|2,0,0]=4 8827 B14R1.427 CC(=O)CCCCOCC1CCCC1 7a_100000742336_100000735457 [1,0,0,1,0,0|2,0,0]=4 8828 B14R1.427 CC(=O)CCCCOCC1CCCO1 34a_100000210270_100009817362 [1,0,0,1,0,0|2,0,0]=4 8829 B14R1.427 CC(=O)CCCCOCC1CCCO1 7a_100000210270_100000735457 [1,0,0,1,0,0|2,0,0]=4 8830 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000735457_100000740388 [1,0,0,1,0,0|2,0,0]=4 8831 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000740388_100000735457 [1,0,0,1,0,0|2,0,0]=4 8832 B14R1.427 CC(=O)CCCCSCC1CCCO1 62a_100000203698_100000735457 [1,0,0,1,0,0|2,0,0]=4 8833 B14R1.427 CC(=O)CCCCSCC1CCCO1 62a_100000735457_100000203698 [1,0,0,1,0,0|2,0,0]=4 8834 B14R1.427 CC(=O)CCCNCCC1CCCC1 34a_100000739158_100000685027 [1,0,0,1,0,0|2,0,0]=4 8835 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000749090_100000685027 [1,0,0,1,0,0|2,0,0]=4 8836 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000759063_100000760354 [1,0,0,1,0,0|2,0,0]=4 8837 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000749090_100011215641 [1,0,0,1,0,0|2,0,0]=4 8838 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000759063_100000760354 [1,0,0,1,0,0|2,0,0]=4 8839 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100000760354_100011215641 [1,0,0,1,0,0|2,0,0]=4 8840 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100011215641_100000760354 [1,0,0,1,0,0|2,0,0]=4 8841 B14R1.427 CC(=O)CCOCCCC1CCCC1 34a_100000759926_100011713738 [1,0,0,1,0,0|2,0,0]=4 8842 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100000759926_100011713738 [1,0,0,1,0,0|2,0,0]=4 8843 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100011215328_100000053229 [1,0,0,1,0,0|2,0,0]=4 8844 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100000053229_100011713738 [1,0,0,1,0,0|2,0,0]=4 8845 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100011713738_100000053229 [1,0,0,1,0,0|2,0,0]=4 8846 B14R1.427 NC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009817443 [1,0,0,1,0,0|2,0,0]=4 8847 B14R1.427 NC(=O)CCCCCNC1CCCC1 34a_100000211070_100009817443 [1,0,0,1,0,0|2,0,0]=4 8848 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000123541_100000179811 [1,0,0,1,0,0|2,0,0]=4 8849 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000210269_100009817443 [1,0,0,1,0,0|2,0,0]=4 8850 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000123541_100000179811 [1,0,0,1,0,0|2,0,0]=4 8851 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000210269_100009817443 [1,0,0,1,0,0|2,0,0]=4 8852 B14R1.427 NC(=O)CCCCCOC1CCCO1 34a_100000085407_100009817443 [1,0,0,1,0,0|2,0,0]=4 8853 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100009817443_100000179811 [1,0,0,1,0,0|2,0,0]=4 8854 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100011217020_100009817443 [1,0,0,1,0,0|2,0,0]=4 8855 B14R1.427 NC(=O)CCCCNCC1CCCC1 269862a_100000696515_100000746403 [1,0,0,1,0,0|2,0,0]=4 8856 B14R1.427 NC(=O)CCCCNCC1CCCC1 34a_100000696515_100000740388 [1,0,0,1,0,0|2,0,0]=4 8857 B14R1.427 NC(=O)CCCCOCC1CCCC1 34a_100012022536_100000740388 [1,0,0,1,0,0|2,0,0]=4 8858 B14R1.427 NC(=O)CCCCOCC1CCCC1 7a_100012022536_100000740388 [1,0,0,1,0,0|2,0,0]=4 8859 B14R1.427 NC(=O)CCCCOCC1CCCO1 7a_100012022536_100000203698 [1,0,0,1,0,0|2,0,0]=4 8860 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739158_100102525003 [1,0,0,1,0,0|2,0,0]=4 8861 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739312_100000760354 [1,0,0,1,0,0|2,0,0]=4 8862 B14R1.427 NC(=O)CCCOCCC1CCCC1 34a_100000749090_100102525003 [1,0,0,1,0,0|2,0,0]=4 8863 B14R1.427 NC(=O)CCCOCCC1CCCC1 7a_100000749090_100102525003 [1,0,0,1,0,0|2,0,0]=4 8864 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100000760354_100102525003 [1,0,0,1,0,0|2,0,0]=4 8865 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100102525003_100000760354 [1,0,0,1,0,0|2,0,0]=4 8866 B14R1.427 NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000744528 [1,0,0,1,0,0|2,0,0]=4 8867 B14R1.427 NC(=O)CCNCCCC1CCCC1 34a_100000736752_100000731001 [1,0,0,1,0,0|2,0,0]=4 8868 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100000757172_100011713738 [1,0,0,1,0,0|2,0,0]=4 8869 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100011215328_100000731001 [1,0,0,1,0,0|2,0,0]=4 8870 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100000757172_100011713738 [1,0,0,1,0,0|2,0,0]=4 8871 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000744528 [1,0,0,1,0,0|2,0,0]=4 8872 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100000744528_100011713738 [1,0,0,1,0,0|2,0,0]=4 8873 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000744528 [1,0,0,1,0,0|2,0,0]=4 8874 B14R1.427 O=C(O)CNCCCCC1OCCO1 269956a_100016091260_100000034956 [1,0,0,1,0,0|2,0,0]=4 8875 B14R1.427 O=C(O)COCCNCC1CCCC1 269956a_100000700818_100000740388 [1,0,0,1,0,0|2,0,0]=4 8876 B14R1.427 O=C(O)COCCNCC1CCCO1 269956a_100000700818_100000183445 [1,0,0,1,0,0|2,0,0]=4 8877 B14R1.427 O=C(O)CONCCCC1CCCC1 269956a_100000106656_100011713738 [1,0,0,1,0,0|2,0,0]=4 8878 B14R1.427 O=C([O-])CCCCCOC1CCCC1 7a_100102619762_100000179811 [1,0,0,1,0,0|1,0,1]=4 8879 B14R1.482 CC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000053229 [1,0,0,1,0,0|2,0,0]=4 8880 B14R1.482 CCCC1CCCCC1OCC(=O)N 34a_100011217265_100000187820 [1,0,0,1,0,0|2,0,0]=4 8881 B14R1.482 CCCC1CCCCC1OCC(=O)N 7a_100011217265_100000187820 [1,0,0,1,0,0|2,0,0]=4 8882 B14R1.482 CCCC1CCCCC1OCC(=O)[O-] 34a_100011217265_100020667443 [1,0,0,1,0,0|1,0,1]=4 8883 B14R1.482 CCCC1CCCCN1CCC(=O)C 269982a_100000701414_100000053229 [1,0,0,1,0,0|2,0,0]=4 8884 B14R1.482 CCCC1CCCCN1CCC(=O)N 2230a_100000701414_100000744528 [1,0,0,1,0,0|2,0,0]=4 8885 B14R1.482 CCCC1CCCCN1CCC(=O)N 269982a_100000701414_100000744528 [1,0,0,1,0,0|2,0,0]=4 8886 B14R1.482 CCCC1CCCCN1CCC(=O)N 34a_100000701414_100000731001 [1,0,0,1,0,0|2,0,0]=4 8887 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [1,0,0,1,0,0|1,0,0]=3 8888 B14R1.482 COCN1CCCCC1CCC(=O)O 269956a_100000694054_100000766300 [1,0,0,1,0,0|2,0,0]=4 8889 B14R1.482 CSCN1CCCCC1CCC(=O)O 269956a_100000694054_100011218213 [1,0,0,1,0,0|2,0,0]=4 8890 B14R1.482 NC(=O)CCN1CCCCC1CCO 2230a_100000211664_100000744528 [1,0,0,1,0,0|2,0,0]=4 8891 B14R1.482 NC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000744528 [1,0,0,1,0,0|2,0,0]=4 8892 B14R1.482 NC(=O)CCN1CCCCC1CCO 34a_100000211664_100000731001 [1,0,0,1,0,0|2,0,0]=4 8893 B14R1.482 O=C(O)CCC1CCCCN1CCF 269956a_100000694054_100011217306 [1,0,0,1,0,0|2,0,0]=4 8894 B14R1.482 O=C(O)CCC1CCCCN1CCO 269956a_100000694054_100000211926 [1,0,0,1,0,0|1,0,0]=3 8895 B14R1.498 CCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000723119 [1,0,0,1,0,0|2,0,0]=4 8896 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [1,0,0,1,0,0|1,0,0]=3 8897 B14R1.651 CCOCN1CCCCCC1C(=O)O 269956a_100000758484_100000739092 [1,0,0,1,0,0|2,0,0]=4 8898 B14R1.651 COCCN1CCCCCC1C(=O)O 269956a_100000758484_100000233755 [1,0,0,1,0,0|2,0,0]=4 8899 B14R1.651 CSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000212216 [1,0,0,1,0,0|2,0,0]=4 8900 B14R1.651 O=C(O)C1CCCCCN1CCCF 269956a_100000758484_100011934791 [1,0,0,1,0,0|2,0,0]=4 8901 B14R1.651 O=C(O)C1CCCCCN1CCCO 269956a_100000758484_100011215043 [1,0,0,1,0,0|1,0,0]=3 8902 B14R1.767 CCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210317 [1,0,0,1,0,0|2,0,0]=4 8903 B14R1.767 CCCCCCCNCC1CC(=O)C1 2230a_100000229938_100009874392 [1,0,0,1,0,0|2,0,0]=4 8904 B14R1.767 CCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210614 [1,0,0,1,0,0|2,0,0]=4 8905 B14R1.767 CCCCCCCOCC1CC(=O)C1 7a_100000210272_100009874392 [1,0,0,1,0,0|2,0,0]=4 8906 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100000210614_100009874392 [1,0,0,1,0,0|2,0,0]=4 8907 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210316 [1,0,0,1,0,0|2,0,0]=4 8908 B14R1.767 O=C1CC(C1)CNCCCCCCO 2230a_100000686447_100009874392 [1,0,0,1,0,0|2,0,0]=4 8909 B14R1.767 O=C1CC(C1)COCCCCCCO 34a_100000101936_100000766143 [1,0,0,1,0,0|2,0,0]=4 8910 B14R1.767 O=C1CC(C1)CSCCCCCCO 62a_100000766143_100009874392 [1,0,0,1,0,0|2,0,0]=4 8911 B14R1.767 O=C1CC(C1)CSCCCCCCO 62a_100009874392_100000766143 [1,0,0,1,0,0|2,0,0]=4 8912 B14R1.767 O=C1CC(C1)SCCCCCCCO 62a_100009894365_100000760002 [1,0,0,1,0,0|2,0,0]=4 8913 B14R1.786 CCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210211 [1,0,0,1,0,0|2,0,0]=4 8914 B14R1.786 CCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210211 [1,0,0,1,0,0|2,0,0]=4 8915 B14R1.786 CCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210210 [1,0,0,1,0,0|2,0,0]=4 8916 B14R1.786 NC(=O)CC1CCCCN1CCCO 2230a_100015184752_100000230001 [1,0,0,1,0,0|2,0,0]=4 8917 B14R1.786 NC(=O)CC1CCCCN1CCCO 269982a_100015184752_100011215043 [1,0,0,1,0,0|2,0,0]=4 8918 B14R1.786 NC(=O)CC1CCCCN1CCCO 34a_100015184752_100000230001 [1,0,0,1,0,0|2,0,0]=4 8919 B14R1.786 NC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000747473 [1,0,0,1,0,0|2,0,0]=4 8920 B14R1.786 NC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000187820 [1,0,0,1,0,0|2,0,0]=4 8921 B14R1.786 NC(=O)CN1CCCCC1CCCO 34a_100011934581_100000187820 [1,0,0,1,0,0|2,0,0]=4 8922 B14R1.786 O=C([O-])CN1CCCCC1CCCO 269982a_100011934581_100020667443 [1,0,0,1,0,0|1,0,1]=4 8923 B14R1.786 O=C([O-])CN1CCCCC1CCCO 34a_100011934581_100020667443 [1,0,0,1,0,0|1,0,1]=4 8924 B14R1.903 CCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210326 [1,0,0,1,0,0|2,0,0]=4 8925 B14R1.903 CCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210215 [1,0,0,1,0,0|2,0,0]=4 8926 B14R1.903 CCCCCN1CCCCC1C(=O)N 34a_100000181395_100000718602 [1,0,0,1,0,0|2,0,0]=4 8927 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [1,0,0,1,0,0|1,0,0]=3 8928 B14R1.903 CCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210326 [1,0,0,1,0,0|2,0,0]=4 8929 B14R1.903 CCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210326 [1,0,0,1,0,0|2,0,0]=4 8930 B14R1.903 CCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210326 [1,0,0,1,0,0|2,0,0]=4 8931 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [1,0,0,1,0,0|1,0,0]=3 8932 B14R1.903 CCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210147 [1,0,0,1,0,0|2,0,0]=4 8933 B14R1.903 CCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000739092 [1,0,0,1,0,0|2,0,0]=4 8934 B14R1.903 CCSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000757381 [1,0,0,1,0,0|2,0,0]=4 8935 B14R1.903 COCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000740836 [1,0,0,1,0,0|2,0,0]=4 8936 B14R1.903 COCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000233755 [1,0,0,1,0,0|2,0,0]=4 8937 B14R1.903 CSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000212216 [1,0,0,1,0,0|2,0,0]=4 8938 B14R1.903 NC(=O)C1CCCCN1CCCCO 2230a_100000181395_100000210776 [1,0,0,1,0,0|2,0,0]=4 8939 B14R1.903 NC(=O)C1CCCCN1CCCCO 269982a_100000181395_100000210776 [1,0,0,1,0,0|2,0,0]=4 8940 B14R1.903 NC(=O)C1CCCCN1CCCCO 34a_100000181395_100011216708 [1,0,0,1,0,0|2,0,0]=4 8941 B14R1.903 O=C(O)C1CCSCN1CCCCO 269956a_100015185162_100000210776 [1,0,0,1,0,0|2,0,0]=4 8942 B14R1.903 O=C(O)C1CSCCN1CCCCO 269956a_100011346106_100000210776 [1,0,0,1,0,0|2,0,0]=4 8943 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCF 269956a_100009816435_100011934791 [1,0,0,1,0,0|2,0,0]=4 8944 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCO 269956a_100009816435_100011215043 [1,0,0,1,0,0|1,0,0]=3 8945 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCF 269956a_100000763471_100000729493 [1,0,0,1,0,0|2,0,0]=4 8946 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCO 269956a_100000763471_100000210776 [1,0,0,1,0,0|1,0,0]=3 8947 B14R1.903 O=C(O)[C@H]1COCCN1CCCCO 269956a_100016993156_100000210776 [1,0,0,1,0,0|2,0,0]=4 8948 B14R1.1454 CC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011215641 [1,0,0,1,0,0|2,0,0]=4 8949 B14R1.1454 CC(=O)CCCN1CCCCCCC1 34a_100000211400_100000685027 [1,0,0,1,0,0|2,0,0]=4 8950 B14R1.1454 CC(=O)CCOC1CCCCCCC1 7a_100000210054_100000053229 [1,0,0,1,0,0|2,0,0]=4 8951 B14R1.1454 CC(=O)NCCC1CCCCCCC1 11a_100011532352_100015343762 [1,0,0,1,0,0|2,0,0]=4 8952 B14R1.1454 CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100015343762 [1,0,0,1,0,0|2,0,0]=4 8953 B14R1.1454 CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100015343762 [1,0,0,1,0,0|2,0,0]=4 8954 B14R1.1454 CC(=O)NCCC1CCCCCCC1 527a_100011532352_100103153847 [1,0,0,1,0,0|2,0,0]=4 8955 B14R1.1454 NC(=O)CCCN1CCCCCCC1 269982a_100000211400_100102525003 [1,0,0,1,0,0|2,0,0]=4 8956 B14R1.1454 NC(=O)CCCN1CCCCCCC1 34a_100000211400_100102525003 [1,0,0,1,0,0|2,0,0]=4 8957 B14R1.1454 NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000744528 [1,0,0,1,0,0|2,0,0]=4 8958 B14R1.1454 NC(=O)CCNC1CCCCCCC1 34a_100000211152_100000731001 [1,0,0,1,0,0|2,0,0]=4 8959 B14R1.1454 NC(=O)CCOC1CCCCCCC1 34a_100000210054_100000731001 [1,0,0,1,0,0|2,0,0]=4 8960 B14R1.1454 NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000744528 [1,0,0,1,0,0|2,0,0]=4 8961 B14R1.1454 NC(=O)COCC1CCCCCCC1 34a_100011216312_100000187820 [1,0,0,1,0,0|2,0,0]=4 8962 B14R1.1454 NC(=O)COCC1CCCCCCC1 7a_100011216312_100000187820 [1,0,0,1,0,0|2,0,0]=4 8963 B14R1.1454 O=C([O-])COCC1CCCCCCC1 34a_100011216312_100020667443 [1,0,0,1,0,0|1,0,1]=4 8964 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [1,0,0,1,0,0|1,0,0]=3 8965 B14R1.3447 CCCCOCCN1CCC1C(=O)O 269956a_100000021838_100000743108 [1,0,0,1,0,0|2,0,0]=4 8966 B14R1.3447 O=C(O)C1CCN1CCCCCCF 269956a_100000021838_100015922095 [1,0,0,1,0,0|2,0,0]=4 8967 B14R1.3447 O=C(O)C1CCN1CCCCCCO 269956a_100000021838_100000766143 [1,0,0,1,0,0|1,0,0]=3 8968 B14R1.4521 NC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009817443 [1,0,0,1,0,0|2,0,0]=4 8969 B14R1.4521 NC(=O)CCCCCNCC1CCC1 34a_100000738700_100009817443 [1,0,0,1,0,0|2,0,0]=4 8970 B14R1.4521 NC(=O)CCCCCNC[C@@H]1CCO1 2230a_100020831831_100009817443 [1,0,0,1,0,0|2,0,0]=4 8971 B14R1.4521 NC(=O)CCCCCNC[C@@H]1CCO1 34a_100020831831_100009817443 [1,0,0,1,0,0|2,0,0]=4 8972 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000123541_100000763275 [1,0,0,1,0,0|2,0,0]=4 8973 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000760304_100009817443 [1,0,0,1,0,0|2,0,0]=4 8974 B14R1.4521 NC(=O)CCCCCOCC1CCC1 7a_100000123541_100000763275 [1,0,0,1,0,0|2,0,0]=4 8975 B14R1.4521 NC(=O)CCCCCOCC1CCO1 34a_100000039022_100009817443 [1,0,0,1,0,0|2,0,0]=4 8976 B14R1.4521 NC(=O)CCCCCOCC1CCO1 34a_100000123541_100000103362 [1,0,0,1,0,0|2,0,0]=4 8977 B14R1.4521 NC(=O)CCCCCOCC1CCO1 7a_100000123541_100000103362 [1,0,0,1,0,0|2,0,0]=4 8978 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100000763275_100009817443 [1,0,0,1,0,0|2,0,0]=4 8979 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100009817443_100000763275 [1,0,0,1,0,0|2,0,0]=4 8980 B14R1.4521 NC(=O)CCCCCSCC1CCO1 62a_100000103362_100009817443 [1,0,0,1,0,0|2,0,0]=4 8981 B14R1.4521 NC(=O)CCCCCSCC1CCO1 62a_100009817443_100000103362 [1,0,0,1,0,0|2,0,0]=4 8982 B14R1.4521 O=C([O-])CCCCCOCC1CCC1 7a_100102619762_100000763275 [1,0,0,1,0,0|1,0,1]=4 8983 B14R1.4521 O=C([O-])CCCCCOCC1CCO1 7a_100102619762_100000103362 [1,0,0,1,0,0|1,0,1]=4 8984 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [1,0,0,1,0,0|1,0,0]=3 8985 B14R1.5254 O=C(O)[C@H]1CCCCCC[C@H]1NCF 269956a_200049070474_100015361967 [1,0,0,1,0,0|2,0,0]=4 8986 B14R1.6335 CC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000053229 [1,0,0,1,0,0|2,0,0]=4 8987 B14R1.6335 NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000744528 [1,0,0,1,0,0|2,0,0]=4 8988 B14R1.6335 NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000744528 [1,0,0,1,0,0|2,0,0]=4 8989 B14R1.6335 NC(=O)CCN1CCCCCCCC1 34a_100000039187_100000731001 [1,0,0,1,0,0|2,0,0]=4 8990 B14R1.6343 CC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000735457 [1,0,0,1,0,0|2,0,0]=4 8991 B14R1.6343 CC(=O)CCCCN1CCCCCC1 34a_100000185865_100009817362 [1,0,0,1,0,0|2,0,0]=4 8992 B14R1.6343 CC(=O)CCCNC1CCCCCC1 34a_100000210984_100000685027 [1,0,0,1,0,0|2,0,0]=4 8993 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000210887_100000685027 [1,0,0,1,0,0|2,0,0]=4 8994 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000759063_100011217769 [1,0,0,1,0,0|2,0,0]=4 8995 B14R1.6343 CC(=O)CCCOC1CCCCCC1 7a_100000210887_100011215641 [1,0,0,1,0,0|2,0,0]=4 8996 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011215641_100011217769 [1,0,0,1,0,0|2,0,0]=4 8997 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011217769_100011215641 [1,0,0,1,0,0|2,0,0]=4 8998 B14R1.6343 CC(=O)CCOCC1CCCCCC1 34a_100000759926_200000696569 [1,0,0,1,0,0|2,0,0]=4 8999 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000699130_100000053229 [1,0,0,1,0,0|2,0,0]=4 9000 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000759926_200000696569 [1,0,0,1,0,0|2,0,0]=4 9001 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_100000053229_200000696569 [1,0,0,1,0,0|2,0,0]=4 9002 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_200000696569_100000053229 [1,0,0,1,0,0|2,0,0]=4 9003 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000210984_100102525003 [1,0,0,1,0,0|2,0,0]=4 9004 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000739312_100011217769 [1,0,0,1,0,0|2,0,0]=4 9005 B14R1.6343 NC(=O)CCCOC1CCCCCC1 34a_100000210887_100102525003 [1,0,0,1,0,0|2,0,0]=4 9006 B14R1.6343 NC(=O)CCCOC1CCCCCC1 7a_100000210887_100102525003 [1,0,0,1,0,0|2,0,0]=4 9007 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100011217769_100102525003 [1,0,0,1,0,0|2,0,0]=4 9008 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100102525003_100011217769 [1,0,0,1,0,0|2,0,0]=4 9009 B14R1.6343 NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000744528 [1,0,0,1,0,0|2,0,0]=4 9010 B14R1.6343 NC(=O)CCNCC1CCCCCC1 269862a_100000740010_200000763224 [1,0,0,1,0,0|2,0,0]=4 9011 B14R1.6343 NC(=O)CCNCC1CCCCCC1 34a_100015204231_100000731001 [1,0,0,1,0,0|2,0,0]=4 9012 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000699130_100000731001 [1,0,0,1,0,0|2,0,0]=4 9013 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000757172_200000696569 [1,0,0,1,0,0|2,0,0]=4 9014 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000744528 [1,0,0,1,0,0|2,0,0]=4 9015 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000757172_200000696569 [1,0,0,1,0,0|2,0,0]=4 9016 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_100000744528_200000696569 [1,0,0,1,0,0|2,0,0]=4 9017 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000744528 [1,0,0,1,0,0|2,0,0]=4 9018 B14R1.6343 NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747473 [1,0,0,1,0,0|2,0,0]=4 9019 B14R1.6343 NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000187820 [1,0,0,1,0,0|2,0,0]=4 9020 B14R1.6343 O=C(O)CNCCN1CCCCCC1 269956a_100016091260_100000722644 [1,0,0,1,0,0|2,0,0]=4 9021 B14R1.6343 O=C(O)CONCC1CCCCCC1 269956a_100000106656_200000696569 [1,0,0,1,0,0|2,0,0]=4 9022 B14R1.6343 O=C([O-])CNCCC1CCCCCC1 34a_100011532351_100020667443 [1,0,0,1,0,0|1,0,1]=4 9023 B14R1.6388 CC(=O)CCCCSCCCC1CO1 62a_100000733510_100000735457 [1,0,0,1,0,0|2,0,0]=4 9024 B14R1.6388 CC(=O)CCCCSCCCC1CO1 62a_100000735457_100000733510 [1,0,0,1,0,0|2,0,0]=4 9025 B14R1.6388 NC(=O)CCCCCNCCC1CC1 34a_100000764129_100009817443 [1,0,0,1,0,0|2,0,0]=4 9026 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000123541_100000694398 [1,0,0,1,0,0|2,0,0]=4 9027 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000754188_100009817443 [1,0,0,1,0,0|2,0,0]=4 9028 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000123541_100000764125 [1,0,0,1,0,0|2,0,0]=4 9029 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000754188_100009817443 [1,0,0,1,0,0|2,0,0]=4 9030 B14R1.6388 NC(=O)CCCCCOCCC1CO1 34a_100000123541_100000732470 [1,0,0,1,0,0|2,0,0]=4 9031 B14R1.6388 NC(=O)CCCCCOCCC1CO1 7a_100000123541_100000732470 [1,0,0,1,0,0|2,0,0]=4 9032 B14R1.6388 NC(=O)CCCCCOCC[C@@H]1CO1 34a_100009820653_100009817443 [1,0,0,1,0,0|2,0,0]=4 9033 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100000764125_100009817443 [1,0,0,1,0,0|2,0,0]=4 9034 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100009817443_100000764125 [1,0,0,1,0,0|2,0,0]=4 9035 B14R1.6388 NC(=O)CCCCCSCCC1CO1 62a_100000732470_100009817443 [1,0,0,1,0,0|2,0,0]=4 9036 B14R1.6388 NC(=O)CCCCCSCCC1CO1 62a_100009817443_100000732470 [1,0,0,1,0,0|2,0,0]=4 9037 B14R1.6388 NC(=O)CCCCNCCCC1CO1 34a_100000696515_100000733510 [1,0,0,1,0,0|2,0,0]=4 9038 B14R1.6388 NC(=O)CCCCOCCCC1CO1 34a_100012022536_100000733510 [1,0,0,1,0,0|2,0,0]=4 9039 B14R1.6388 NC(=O)CCCCOCCCC1CO1 7a_100012022536_100000733510 [1,0,0,1,0,0|2,0,0]=4 9040 B14R1.6388 O=C(O)COCCNCCCC1CO1 269956a_100000700818_100000733510 [1,0,0,1,0,0|2,0,0]=4 9041 B14R1.6388 O=C([O-])CCCCCOCCC1CC1 7a_100102619762_100000764125 [1,0,0,1,0,0|1,0,1]=4 9042 B14R1.6388 O=C([O-])CCCCCOCCC1CO1 7a_100102619762_100000732470 [1,0,0,1,0,0|1,0,1]=4 9043 B14R1.40 C=CCCCCCCOC1CCCO1 34a_100000085407_100011215473 [1,0,0,1,0,0|2,0,0]=4 9044 B14R1.40 C=CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000700193 [1,0,0,1,0,0|2,0,0]=4 9045 B14R1.40 C=CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000700193 [1,0,0,1,0,0|2,0,0]=4 9046 B14R1.40 C=CCCCCCOCC1CCCO1 34a_100000210270_100000700193 [1,0,0,1,0,0|2,0,0]=4 9047 B14R1.40 C=CCCCCCOCC1CCCO1 7a_100000210270_100000700193 [1,0,0,1,0,0|2,0,0]=4 9048 B14R1.40 C=CCCCCCOCC1CCCO1 7a_100011216702_100000203698 [1,0,0,1,0,0|2,0,0]=4 9049 B14R1.40 C=CCCCCCSCC1CCCO1 62a_100000203698_100000700193 [1,0,0,1,0,0|2,0,0]=4 9050 B14R1.40 C=CCCCCCSCC1CCCO1 62a_100000700193_100000203698 [1,0,0,1,0,0|2,0,0]=4 9051 B14R1.40 O=CCCCCCNCC1CCCC1 2230a_100000737975_100000139337 [1,0,0,1,0,0|2,0,0]=4 9052 B14R1.40 O=CCCCCCNCC1OCCO1 2230a_100000036311_100000139337 [1,0,0,1,0,0|2,0,0]=4 9053 B14R1.40 O=CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139337 [1,0,0,1,0,0|1,0,0]=3 9054 B14R1.40 O=CCCCCCOCC1CCCC1 7a_100000742336_100000139337 [1,0,0,1,0,0|2,0,0]=4 9055 B14R1.40 O=CCCCCCOCC1CCCO1 7a_100000210270_100000139337 [1,0,0,1,0,0|1,0,0]=3 9056 B14R1.40 O=CCCCCCSCC1CCCC1 62a_100000139337_100000740388 [1,0,0,1,0,0|2,0,0]=4 9057 B14R1.40 O=CCCCCCSCC1CCCC1 62a_100000740388_100000139337 [1,0,0,1,0,0|2,0,0]=4 9058 B14R1.40 O=CCCCCCSCC1CCCO1 62a_100000139337_100000203698 [1,0,0,1,0,0|1,0,0]=3 9059 B14R1.40 O=CCCCCCSCC1CCCO1 62a_100000203698_100000139337 [1,0,0,1,0,0|1,0,0]=3 9060 B14R1.40 O=CCCCCCSCC1OCCO1 62a_100000139337_100000755774 [1,0,0,1,0,0|2,0,0]=4 9061 B14R1.40 O=CCCCCCSCC1OCCO1 62a_100000755774_100000139337 [1,0,0,1,0,0|2,0,0]=4 9062 B14R1.40 O=CCCCCNCCC1CCCC1 2230a_100000739158_100000139335 [1,0,0,1,0,0|2,0,0]=4 9063 B14R1.40 O=CCCCCNCCC1OCCO1 2230a_100000034215_100000139335 [1,0,0,1,0,0|2,0,0]=4 9064 B14R1.40 O=CCCCCOCCC1CCCC1 7a_100000749090_100000139335 [1,0,0,1,0,0|2,0,0]=4 9065 B14R1.40 O=CCCCCSCCC1CCCC1 62a_100000139335_100000760354 [1,0,0,1,0,0|2,0,0]=4 9066 B14R1.40 O=CCCCCSCCC1CCCC1 62a_100000760354_100000139335 [1,0,0,1,0,0|2,0,0]=4 9067 B14R1.40 O=CCCCCSCCC1OCCO1 62a_100000139335_100000740749 [1,0,0,1,0,0|2,0,0]=4 9068 B14R1.40 O=CCCCNCCCC1CCCC1 2230a_100000736752_200011292268 [1,0,0,1,0,0|2,0,0]=4 9069 B14R1.40 O=CCCCOCCCC1CCCC1 7a_100011215328_200011292268 [1,0,0,1,0,0|2,0,0]=4 9070 B14R1.40 O=CCCCOCCCC1OCCO1 7a_100009871617_200011292268 [1,0,0,1,0,0|2,0,0]=4 9071 B14R1.40 O=CCCCSCCCC1CCCC1 62a_100011713738_200011292268 [1,0,0,1,0,0|2,0,0]=4 9072 B14R1.40 O=CCCCSCCCC1CCCC1 62a_200011292268_100011713738 [1,0,0,1,0,0|2,0,0]=4 9073 B14R1.40 O=CCCCSCCCC1OCCO1 62a_200011292268_100000042513 [1,0,0,1,0,0|2,0,0]=4 9074 B14R1.40 O=CCOCCCCOC1CCCO1 34a_100011018183_200009817547 [1,0,0,1,0,0|2,0,0]=4 9075 B14R1.40 O=CCOCCCCOC1CCCO1 7a_100011018183_200015260668 [1,0,0,1,0,0|2,0,0]=4 9076 B14R1.40 OCCCCCCCOC1CCCO1 34a_100000085407_100000760002 [1,0,0,1,0,0|1,0,1]=4 9077 B14R1.40 OCCCCCCNCC1CCCO1 2230a_100000686447_100000203698 [1,0,0,1,0,0|1,0,1]=4 9078 B14R1.40 OCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000766143 [1,0,0,1,0,0|1,0,1]=4 9079 B14R1.40 OCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000766143 [1,0,0,1,0,0|1,0,1]=4 9080 B14R1.40 OCCCCCCOCC1CCCO1 34a_100000210270_100000766143 [1,0,0,1,0,0|1,0,1]=4 9081 B14R1.40 OCCCCCCOCC1CCCO1 7a_100000210270_100000766143 [1,0,0,1,0,0|1,0,1]=4 9082 B14R1.40 OCCCCCCSCC1CCCO1 62a_100000203698_100000766143 [1,0,0,1,0,0|1,0,1]=4 9083 B14R1.40 OCCCCCCSCC1CCCO1 62a_100000766143_100000203698 [1,0,0,1,0,0|1,0,1]=4 9084 B14R1.62 C=CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000700193 [1,0,0,1,0,0|2,0,0]=4 9085 B14R1.62 C=CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000700193 [1,0,0,1,0,0|2,0,0]=4 9086 B14R1.62 C=CCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000700193 [1,0,0,1,0,0|2,0,0]=4 9087 B14R1.62 CCC1CCCN1CCCCCC=O 2230a_100000754278_100000139337 [1,0,0,1,0,0|2,0,0]=4 9088 B14R1.62 CCC1CCCN1CCCCCC=O 269982a_100000754278_100000139337 [1,0,0,1,0,0|2,0,0]=4 9089 B14R1.62 O=CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139337 [1,0,0,1,0,0|1,0,0]=3 9090 B14R1.62 O=CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139337 [1,0,0,1,0,0|1,0,0]=3 9091 B14R1.62 OCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000766143 [1,0,0,1,0,0|1,0,1]=4 9092 B14R1.62 OCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000766143 [1,0,0,1,0,0|1,0,1]=4 9093 B14R1.62 OCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000766143 [1,0,0,1,0,0|1,0,1]=4 9094 B14R1.123 C=CCCCCCOC1CCCCO1 34a_100000033831_100000700193 [1,0,0,1,0,0|2,0,0]=4 9095 B14R1.123 C=CCCCCNCC1CCCCO1 2230a_100000174945_100011215482 [1,0,0,1,0,0|2,0,0]=4 9096 B14R1.123 C=CCCCCNCC1CCCCO1 2230a_100000703577_100000211543 [1,0,0,1,0,0|2,0,0]=4 9097 B14R1.123 C=CCCCCNCC1CCCCO1 34a_100000174945_100011215482 [1,0,0,1,0,0|2,0,0]=4 9098 B14R1.123 C=CCCCCNCC1CCCCO1 34a_100000703577_100000211543 [1,0,0,1,0,0|2,0,0]=4 9099 B14R1.123 C=CCCCCOCC1CCCCO1 34a_100000211370_100011215482 [1,0,0,1,0,0|2,0,0]=4 9100 B14R1.123 C=CCCCCOCC1CCCCO1 34a_100000766645_100000211543 [1,0,0,1,0,0|2,0,0]=4 9101 B14R1.123 C=CCCCCOCC1CCCCO1 7a_100000211370_100011215482 [1,0,0,1,0,0|2,0,0]=4 9102 B14R1.123 C=CCCCCOCC1CCCCO1 7a_100000766645_100000211543 [1,0,0,1,0,0|2,0,0]=4 9103 B14R1.123 C=CCCCCSCC1CCCCO1 62a_100000211543_100011215482 [1,0,0,1,0,0|2,0,0]=4 9104 B14R1.123 C=CCCCCSCC1CCCCO1 62a_100011215482_100000211543 [1,0,0,1,0,0|2,0,0]=4 9105 B14R1.123 C=CCCCNCCC1CCCCO1 2230a_100015183643_100011713584 [1,0,0,1,0,0|2,0,0]=4 9106 B14R1.123 C=CCCCNCCC1CCCCO1 34a_100015183643_100000757094 [1,0,0,1,0,0|2,0,0]=4 9107 B14R1.123 O=CCCCCCNC1CCCCC1 2230a_100000182618_100000139337 [1,0,0,1,0,0|2,0,0]=4 9108 B14R1.123 O=CCCCCCOC1CCCCC1 7a_100000210231_100000139337 [1,0,0,1,0,0|2,0,0]=4 9109 B14R1.123 O=CCCCCCSC1CCCCC1 62a_100000139337_100000210327 [1,0,0,1,0,0|2,0,0]=4 9110 B14R1.123 O=CCCCCCSC1CCCCC1 62a_100000210327_100000139337 [1,0,0,1,0,0|2,0,0]=4 9111 B14R1.123 O=CCCCCNCC1CCCCC1 2230a_100000210473_100000139335 [1,0,0,1,0,0|2,0,0]=4 9112 B14R1.123 O=CCCCCNCC1CCCCO1 2230a_100000174945_100000139335 [1,0,0,1,0,0|1,0,0]=3 9113 B14R1.123 O=CCCCCNC[C@H]1COCCO1 2230a_100010981119_100000139335 [1,0,0,1,0,0|2,0,0]=4 9114 B14R1.123 O=CCCCCOCC1CCCCC1 7a_100000212181_100000139335 [1,0,0,1,0,0|2,0,0]=4 9115 B14R1.123 O=CCCCCOCC1CCCCO1 7a_100000211370_100000139335 [1,0,0,1,0,0|1,0,0]=3 9116 B14R1.123 O=CCCCCSCC1CCCCC1 62a_100000139335_100000211423 [1,0,0,1,0,0|2,0,0]=4 9117 B14R1.123 O=CCCCCSCC1CCCCC1 62a_100000211423_100000139335 [1,0,0,1,0,0|2,0,0]=4 9118 B14R1.123 O=CCCCCSCC1CCCCO1 62a_100000139335_100000211543 [1,0,0,1,0,0|1,0,0]=3 9119 B14R1.123 O=CCCCCSCC1CCCCO1 62a_100000211543_100000139335 [1,0,0,1,0,0|1,0,0]=3 9120 B14R1.123 O=CCCCNCCC1CCCCC1 2230a_100000738074_200011292268 [1,0,0,1,0,0|2,0,0]=4 9121 B14R1.123 O=CCCCNCCC1CCCCO1 2230a_100015183643_200011292268 [1,0,0,1,0,0|1,0,0]=3 9122 B14R1.123 O=CCCCOCCC1CCCCC1 7a_100011217863_200011292268 [1,0,0,1,0,0|2,0,0]=4 9123 B14R1.123 O=CCCCSCCC1CCCCC1 62a_100012355289_200011292268 [1,0,0,1,0,0|2,0,0]=4 9124 B14R1.123 O=CCCCSCCC1CCCCC1 62a_200011292268_100012355289 [1,0,0,1,0,0|2,0,0]=4 9125 B14R1.123 O=CCCCSCCC1OCCCO1 62a_100000764188_200011292268 [1,0,0,1,0,0|2,0,0]=4 9126 B14R1.123 O=CCCCSCCC1OCCCO1 62a_200011292268_100000764188 [1,0,0,1,0,0|2,0,0]=4 9127 B14R1.123 O=CCOCCCCC1CCCCC1 34a_100011215267_200009817547 [1,0,0,1,0,0|2,0,0]=4 9128 B14R1.123 O=CCOCCCCC1CCCCC1 7a_100011215267_200015260668 [1,0,0,1,0,0|2,0,0]=4 9129 B14R1.123 O=CCSCCCOC1CCCCO1 62a_100000700653_200015260668 [1,0,0,1,0,0|2,0,0]=4 9130 B14R1.123 O=CCSCCCOC1CCCCO1 62a_200015260668_100000700653 [1,0,0,1,0,0|2,0,0]=4 9131 B14R1.123 OCCCCCCNC1C=CCCC1 2230a_100000686447_100000751183 [1,0,0,1,0,0|2,0,0]=4 9132 B14R1.123 OCCCCCCOC1C=CCCC1 34a_100011215024_100000766143 [1,0,0,1,0,0|2,0,0]=4 9133 B14R1.123 OCCCCCCOC1CCCCO1 34a_100000033831_100000766143 [1,0,0,1,0,0|1,0,1]=4 9134 B14R1.123 OCCCCCCSC1C=CCCC1 62a_100000751183_100000766143 [1,0,0,1,0,0|2,0,0]=4 9135 B14R1.123 OCCCCCCSC1C=CCCC1 62a_100000766143_100000751183 [1,0,0,1,0,0|2,0,0]=4 9136 B14R1.123 OCCCCCNCC1CCCCO1 2230a_100000174945_100000746330 [1,0,0,1,0,0|1,0,1]=4 9137 B14R1.123 OCCCCCNCC1CCCCO1 2230a_100000762737_100000211543 [1,0,0,1,0,0|1,0,1]=4 9138 B14R1.123 OCCCCCNCC1CCCCO1 34a_100000174945_100000746330 [1,0,0,1,0,0|1,0,1]=4 9139 B14R1.123 OCCCCCNCC1CCCCO1 34a_100000762737_100000211543 [1,0,0,1,0,0|1,0,1]=4 9140 B14R1.123 OCCCCCOCC1CCC=CO1 34a_100011217868_100000746330 [1,0,0,1,0,0|1,0,1]=4 9141 B14R1.123 OCCCCCOCC1CCCCO1 34a_100000211370_100000746330 [1,0,0,1,0,0|1,0,1]=4 9142 B14R1.123 OCCCCCOCC1CCCCO1 7a_100000211370_100000746330 [1,0,0,1,0,0|1,0,1]=4 9143 B14R1.123 OCCCCCSCC1CCCCO1 62a_100000211543_100000746330 [1,0,0,1,0,0|1,0,1]=4 9144 B14R1.123 OCCCCCSCC1CCCCO1 62a_100000746330_100000211543 [1,0,0,1,0,0|1,0,1]=4 9145 B14R1.123 OCCCCNCCC1CCCCO1 2230a_100015183643_100000210776 [1,0,0,1,0,0|1,0,1]=4 9146 B14R1.123 OCCCCNCCC1CCCCO1 34a_100015183643_100011216708 [1,0,0,1,0,0|1,0,1]=4 9147 B14R1.138 CCCCCOC1CCCCCC1=O 7a_100000210253_100000243696 [1,0,0,1,0,0|2,0,0]=4 9148 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000210326_100000243696 [1,0,0,1,0,0|2,0,0]=4 9149 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000243696_100000210326 [1,0,0,1,0,0|2,0,0]=4 9150 B14R1.138 O=C1CCCCCC1OCCCCCl 7a_100000210776_100000243696 [1,0,0,1,0,0|2,0,0]=4 9151 B14R1.138 O=C1CCCCCC1OCCCCF 7a_100011995726_100000243696 [1,0,0,1,0,0|2,0,0]=4 9152 B14R1.138 O=C1CCCCCC1SCCCCF 62a_100000243696_100000729493 [1,0,0,1,0,0|2,0,0]=4 9153 B14R1.138 O=C1CCCCCC1SCCCCF 62a_100000729493_100000243696 [1,0,0,1,0,0|2,0,0]=4 9154 B14R1.138 O=C1CCCCCC1SCCCCO 62a_100000210776_100000243696 [1,0,0,1,0,0|1,0,0]=3 9155 B14R1.138 O=C1CCCCCC1SCCCCO 62a_100000243696_100000210776 [1,0,0,1,0,0|1,0,0]=3 9156 B14R1.138 O=C1NCCCCC1NCCCCO 2230a_100000698827_100000210776 [1,0,0,1,0,0|2,0,0]=4 9157 B14R1.138 O=C1NCCCCC1NCCCCO 2230a_100000750430_100000735217 [1,0,0,1,0,0|2,0,0]=4 9158 B14R1.138 O=C1NCCCCC1NCCCCO 34a_100000698827_100011216708 [1,0,0,1,0,0|2,0,0]=4 9159 B14R1.138 O=C1NCCCCC1SCCCCO 62a_100000210776_100000735217 [1,0,0,1,0,0|2,0,0]=4 9160 B14R1.138 O=C1NCCCCC1SCCCCO 62a_100000735217_100000210776 [1,0,0,1,0,0|2,0,0]=4 9161 B14R1.216 C=CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000700193_200016002552 [1,0,0,1,0,0|2,0,0]=4 9162 B14R1.216 C=CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000700193 [1,0,0,1,0,0|2,0,0]=4 9163 B14R1.216 CC1CCCC1OCCCCCC=O 7a_100011216460_100000139337 [1,0,0,1,0,0|2,0,0]=4 9164 B14R1.216 CCCCCCCNC1CCCC1=O 2230a_100000229938_100000211823 [1,0,0,1,0,0|2,0,0]=4 9165 B14R1.216 CCCCCCCOC1CCCC1=O 34a_100000210272_100000709159 [1,0,0,1,0,0|2,0,0]=4 9166 B14R1.216 CCCCCCCOC1CCCC1=O 34a_200000719330_100000210614 [1,0,0,1,0,0|2,0,0]=4 9167 B14R1.216 CCCCCCCOC1CCCC1=O 7a_100000210272_100000211823 [1,0,0,1,0,0|2,0,0]=4 9168 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000210614_100000211823 [1,0,0,1,0,0|2,0,0]=4 9169 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000211823_100000210316 [1,0,0,1,0,0|2,0,0]=4 9170 B14R1.216 NCCCCCCOC1CCCC1=O 34a_100000686447_100000709159 [1,0,0,1,0,0|2,0,0]=4 9171 B14R1.216 O=C1CCCC1NCCCCCCO 2230a_100000686447_100000211823 [1,0,0,1,0,0|1,0,0]=3 9172 B14R1.216 O=C1CCCC1NCCCCCCO 34a_100000686447_100000709159 [1,0,0,1,0,0|1,0,0]=3 9173 B14R1.216 O=C1CCCC1OCCCCCCBr 34a_100011215345_100000709159 [1,0,0,1,0,0|2,0,0]=4 9174 B14R1.216 O=C1CCCC1OCCCCCCBr 7a_100011215345_100000211823 [1,0,0,1,0,0|2,0,0]=4 9175 B14R1.216 O=C1CCCC1OCCCCCCCl 34a_100000766143_100000709159 [1,0,0,1,0,0|2,0,0]=4 9176 B14R1.216 O=C1CCCC1OCCCCCCCl 7a_100000766143_100000211823 [1,0,0,1,0,0|2,0,0]=4 9177 B14R1.216 O=C1CCCC1OCCCCCCF 34a_100000732779_100000709159 [1,0,0,1,0,0|2,0,0]=4 9178 B14R1.216 O=C1CCCC1OCCCCCCF 34a_200000719330_100015922095 [1,0,0,1,0,0|2,0,0]=4 9179 B14R1.216 O=C1CCCC1OCCCCCCF 7a_100000732779_100000211823 [1,0,0,1,0,0|2,0,0]=4 9180 B14R1.216 O=C1CCCC1OCCCCCCO 34a_200000719330_100000766143 [1,0,0,1,0,0|1,0,0]=3 9181 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100000211823_100015922095 [1,0,0,1,0,0|2,0,0]=4 9182 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100015922095_100000211823 [1,0,0,1,0,0|2,0,0]=4 9183 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000211823_100000766143 [1,0,0,1,0,0|1,0,0]=3 9184 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000766143_100000211823 [1,0,0,1,0,0|1,0,0]=3 9185 B14R1.216 O=C1CCCN1CCCNCCCO 2230a_100000210347_100000230001 [1,0,0,1,0,0|2,0,0]=4 9186 B14R1.216 O=C1CCCN1CCCNCCCO 34a_100000210347_100000230001 [1,0,0,1,0,0|2,0,0]=4 9187 B14R1.216 O=C1CCCN1CCCOCCCO 34a_100011216539_100000230001 [1,0,0,1,0,0|2,0,0]=4 9188 B14R1.216 O=C1CCCN1CCCOCCCO 7a_100011216539_100011215043 [1,0,0,1,0,0|2,0,0]=4 9189 B14R1.216 O=C1CCCN1CCNCCCCO 2230a_100000750430_100000739059 [1,0,0,1,0,0|2,0,0]=4 9190 B14R1.216 O=C1CCCN1CCNCCCCO 2230a_100011200922_100000210776 [1,0,0,1,0,0|2,0,0]=4 9191 B14R1.216 O=C1CCCN1CCNCCCCO 34a_100000750430_100000739059 [1,0,0,1,0,0|2,0,0]=4 9192 B14R1.216 O=C1CCCN1CCOCCCCO 34a_100000211209_100011216708 [1,0,0,1,0,0|2,0,0]=4 9193 B14R1.216 O=C1CCCN1CCOCCCCO 7a_100000211209_100000210776 [1,0,0,1,0,0|2,0,0]=4 9194 B14R1.216 O=C1CCCN1CCSCCCCO 62a_100000210776_100000739059 [1,0,0,1,0,0|2,0,0]=4 9195 B14R1.216 O=C1CCCN1CCSCCCCO 62a_100000739059_100000210776 [1,0,0,1,0,0|2,0,0]=4 9196 B14R1.216 O=C1CCCN1CSCCCCCO 62a_100000026320_100000746330 [1,0,0,1,0,0|2,0,0]=4 9197 B14R1.216 O=C1CCCN1CSCCCCCO 62a_100000746330_100000026320 [1,0,0,1,0,0|2,0,0]=4 9198 B14R1.216 O=C1NCCC1COCCCCCO 34a_100000133458_100000746330 [1,0,0,1,0,0|2,0,0]=4 9199 B14R1.216 O=C1NCCC1NCCCCCCO 2230a_100016995588_100000766143 [1,0,0,1,0,0|2,0,0]=4 9200 B14R1.216 O=C1NCCC1NCCCCCCO 34a_100016995588_100000766143 [1,0,0,1,0,0|2,0,0]=4 9201 B14R1.216 O=C1NCC[C@@H]1OCCCCCCO 34a_100000688343_100000766143 [1,0,0,1,0,0|2,0,0]=4 9202 B14R1.216 O=C1OCCC1NCCCCCCO 2230a_100000686447_100000211211 [1,0,0,1,0,0|2,0,0]=4 9203 B14R1.216 O=C1OCCC1NCCCCCCO 34a_100000686447_100000211211 [1,0,0,1,0,0|2,0,0]=4 9204 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000211211_100000766143 [1,0,0,1,0,0|2,0,0]=4 9205 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000766143_100000211211 [1,0,0,1,0,0|2,0,0]=4 9206 B14R1.216 O=CCCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000139337 [1,0,0,1,0,0|2,0,0]=4 9207 B14R1.216 O=CCCCCCSC1COCC1O 62a_100000139337_200000725654 [1,0,0,1,0,0|2,0,0]=4 9208 B14R1.216 O=CCCCCCSC1COCC1O 62a_200000725654_100000139337 [1,0,0,1,0,0|2,0,0]=4 9209 B14R1.216 O=CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000139337_200016002552 [1,0,0,1,0,0|1,0,0]=3 9210 B14R1.216 O=CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139337 [1,0,0,1,0,0|1,0,0]=3 9211 B14R1.216 OCCCCCCS[C@@H]1CCC[C@H]1O 62a_100000766143_200016002552 [1,0,0,1,0,0|1,0,1]=4 9212 B14R1.216 OCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000766143 [1,0,0,1,0,0|1,0,1]=4 9213 B14R1.229 CCCCCCCCNC1CCC1=O 34a_100000229939_100009892977 [1,0,0,1,0,0|2,0,0]=4 9214 B14R1.229 CCCCCCCCOC1CCC1=O 34a_100000210232_100009892977 [1,0,0,1,0,0|2,0,0]=4 9215 B14R1.229 CCCCCCCCOC1CCC1=O 7a_100000210232_100009892977 [1,0,0,1,0,0|2,0,0]=4 9216 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100000210759_100009892977 [1,0,0,1,0,0|2,0,0]=4 9217 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100009892977_100000210317 [1,0,0,1,0,0|2,0,0]=4 9218 B14R1.229 CCCCCCNCCC1CCC1=O 2230a_100000210581_200016118888 [1,0,0,1,0,0|2,0,0]=4 9219 B14R1.229 CCCCCCOCCC1CCC1=O 7a_100000210259_200016118888 [1,0,0,1,0,0|2,0,0]=4 9220 B14R1.229 CCCCCCSCCC1CCC1=O 62a_100000210314_200016118888 [1,0,0,1,0,0|2,0,0]=4 9221 B14R1.229 CCCCCCSCCC1CCC1=O 62a_200016118888_100000210757 [1,0,0,1,0,0|2,0,0]=4 9222 B14R1.229 NCCCCCCCOC1CCC1=O 34a_100011996573_100009892977 [1,0,0,1,0,0|2,0,0]=4 9223 B14R1.229 O=C1CCC1CCNCCCCCO 2230a_100000762737_200016118888 [1,0,0,1,0,0|1,0,0]=3 9224 B14R1.229 O=C1CCC1CCNCCOCCO 2230a_100000211614_200016118888 [1,0,0,1,0,0|2,0,0]=4 9225 B14R1.229 O=C1CCC1CCNCCSCCO 2230a_100011219999_200016118888 [1,0,0,1,0,0|2,0,0]=4 9226 B14R1.229 O=C1CCC1CCOCCCCCBr 7a_100000746331_200016118888 [1,0,0,1,0,0|2,0,0]=4 9227 B14R1.229 O=C1CCC1CCOCCCCCCl 7a_100000746330_200016118888 [1,0,0,1,0,0|2,0,0]=4 9228 B14R1.229 O=C1CCC1CCOCCCCCI 7a_200012148887_200016118888 [1,0,0,1,0,0|2,0,0]=4 9229 B14R1.229 O=C1CCC1CCSCCCCCF 62a_100000729378_200016118888 [1,0,0,1,0,0|2,0,0]=4 9230 B14R1.229 O=C1CCC1CCSCCCCCF 62a_200016118888_100000729378 [1,0,0,1,0,0|2,0,0]=4 9231 B14R1.229 O=C1CCC1CCSCCCCCO 62a_100000746330_200016118888 [1,0,0,1,0,0|1,0,0]=3 9232 B14R1.229 O=C1CCC1CCSCCCCCO 62a_200016118888_100000746330 [1,0,0,1,0,0|1,0,0]=3 9233 B14R1.229 O=C1CCC1CCSCCOCCO 62a_100011215305_200016118888 [1,0,0,1,0,0|2,0,0]=4 9234 B14R1.229 O=C1CCC1CCSCCOCCO 62a_200016118888_100011215305 [1,0,0,1,0,0|2,0,0]=4 9235 B14R1.229 O=C1CCC1NCCCCCCCO 34a_100011996573_100009892977 [1,0,0,1,0,0|1,0,0]=3 9236 B14R1.229 O=C1CCC1NCCCOCCCO 34a_100011310245_100009892977 [1,0,0,1,0,0|2,0,0]=4 9237 B14R1.229 O=C1CCC1OCCCCCCCBr 34a_100000760002_100009892977 [1,0,0,1,0,0|2,0,0]=4 9238 B14R1.229 O=C1CCC1OCCCCCCCBr 7a_100000760002_100009892977 [1,0,0,1,0,0|2,0,0]=4 9239 B14R1.229 O=C1CCC1SCCCCCCCO 62a_100000760002_100009892977 [1,0,0,1,0,0|1,0,0]=3 9240 B14R1.229 O=C1CCC1SCCCCCCCO 62a_100009892977_100000760002 [1,0,0,1,0,0|1,0,0]=3 9241 B14R1.476 C=CCCCCN1CCCCC1CO 2230a_100000210821_100011215482 [1,0,0,1,0,0|2,0,0]=4 9242 B14R1.476 C=CCCCCN1CCCCC1CO 269982a_100000210821_100011215482 [1,0,0,1,0,0|2,0,0]=4 9243 B14R1.476 C=CCCCCN1CCCCC1CO 34a_100000210821_100011215482 [1,0,0,1,0,0|2,0,0]=4 9244 B14R1.476 C=CCCCNC1CCCCC1CO 270004a_100000700776_100009861125 [1,0,0,1,0,0|2,0,0]=4 9245 B14R1.476 CCC1CCCCC1OCCCC=O 7a_100000210738_200011292268 [1,0,0,1,0,0|2,0,0]=4 9246 B14R1.476 CCC1CCCCN1CCCCC=O 2230a_100000210034_100000139335 [1,0,0,1,0,0|2,0,0]=4 9247 B14R1.476 CCC1CCCCN1CCCCC=O 269982a_100000210034_100000139335 [1,0,0,1,0,0|2,0,0]=4 9248 B14R1.476 O=CCCCCN1CCCCC1CO 2230a_100000210821_100000139335 [1,0,0,1,0,0|1,0,0]=3 9249 B14R1.476 O=CCCCCN1CCCCC1CO 269982a_100000210821_100000139335 [1,0,0,1,0,0|1,0,0]=3 9250 B14R1.476 O=CCCCCN1CCOC[C@H]1CO 2230a_100000717676_100000139335 [1,0,0,1,0,0|2,0,0]=4 9251 B14R1.476 O=CCCCCN1CCOC[C@H]1CO 269982a_100000717676_100000139335 [1,0,0,1,0,0|2,0,0]=4 9252 B14R1.476 O=CCCCNC1CCOCC1CO 2230a_214813039666_200011292268 [1,0,0,1,0,0|2,0,0]=4 9253 B14R1.476 O=CCNCCN1CCCCC1CO 2230a_100011473795_200015260668 [1,0,0,1,0,0|2,0,0]=4 9254 B14R1.476 O=CCNCCN1CCCCC1CO 34a_100011473795_200009817547 [1,0,0,1,0,0|2,0,0]=4 9255 B14R1.476 OCCCCCN1CCCCC1CO 2230a_100000210821_100000746330 [1,0,0,1,0,0|1,0,1]=4 9256 B14R1.476 OCCCCCN1CCCCC1CO 269982a_100000210821_100000746330 [1,0,0,1,0,0|1,0,1]=4 9257 B14R1.476 OCCCCCN1CCCCC1CO 34a_100000210821_100000746330 [1,0,0,1,0,0|1,0,1]=4 9258 B14R1.476 OCCCCNC1CCCCC1CO 270004a_100000750430_100009861125 [1,0,0,1,0,0|1,0,1]=4 9259 B14R1.787 C=CCCN1CCCCC1CCCO 2230a_100011934581_100000754431 [1,0,0,1,0,0|2,0,0]=4 9260 B14R1.787 C=CCCN1CCCCC1CCCO 269982a_100011934581_100000754431 [1,0,0,1,0,0|2,0,0]=4 9261 B14R1.787 C=CCCN1CCCCC1CCCO 34a_100011934581_100000754431 [1,0,0,1,0,0|2,0,0]=4 9262 B14R1.787 OCCCC1CCCCN1CCCO 2230a_100011934581_100000230001 [1,0,0,1,0,0|1,0,1]=4 9263 B14R1.787 OCCCC1CCCCN1CCCO 269982a_100011934581_100011215043 [1,0,0,1,0,0|1,0,1]=4 9264 B14R1.787 OCCCC1CCCCN1CCCO 34a_100011934581_100000230001 [1,0,0,1,0,0|1,0,1]=4 9265 B14R1.882 C=CCCCCNC1CCCCC1O 34a_100000703577_100000038908 [1,0,0,1,0,0|2,0,0]=4 9266 B14R1.882 C=CCCCCOC1CCCCC1O 34a_100000766645_100000038908 [1,0,0,1,0,0|2,0,0]=4 9267 B14R1.882 C=CCCCCSC1CCCCC1O 62a_100000038908_100011215482 [1,0,0,1,0,0|2,0,0]=4 9268 B14R1.882 C=CCCCCSC1CCCCC1O 62a_100011215482_100000038908 [1,0,0,1,0,0|2,0,0]=4 9269 B14R1.882 C=CCCCNCC1CCCCC1O 34a_100011216029_100000757094 [1,0,0,1,0,0|2,0,0]=4 9270 B14R1.882 CC1CCCCC1NCCCCC=O 2230a_100000211402_100000139335 [1,0,0,1,0,0|2,0,0]=4 9271 B14R1.882 CC1CCCCC1OCCCCC=O 7a_100000211207_100000139335 [1,0,0,1,0,0|2,0,0]=4 9272 B14R1.882 CC1CCCCN1CCCCCC=O 2230a_100000211376_100000139337 [1,0,0,1,0,0|2,0,0]=4 9273 B14R1.882 CC1CCCCN1CCCCCC=O 269982a_100000211376_100000139337 [1,0,0,1,0,0|2,0,0]=4 9274 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100000210259_100000754470 [1,0,0,1,0,0|2,0,0]=4 9275 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100011214950_100000210314 [1,0,0,1,0,0|2,0,0]=4 9276 B14R1.882 CCCCCCOC1CCCCC1=O 7a_100000210259_100000204591 [1,0,0,1,0,0|2,0,0]=4 9277 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000204591_100000210757 [1,0,0,1,0,0|2,0,0]=4 9278 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000210314_100000204591 [1,0,0,1,0,0|2,0,0]=4 9279 B14R1.882 CCCCCOCC1CCCCC1=O 34a_100009861125_100000718602 [1,0,0,1,0,0|2,0,0]=4 9280 B14R1.882 CCCCCOCC1CCCCC1=O 7a_100009861125_100000210326 [1,0,0,1,0,0|2,0,0]=4 9281 B14R1.882 NCCCCCOC1CCCCC1=O 34a_100000762737_100000754470 [1,0,0,1,0,0|2,0,0]=4 9282 B14R1.882 O=C1CCCCC1COCCCCF 34a_100009861125_100000729493 [1,0,0,1,0,0|2,0,0]=4 9283 B14R1.882 O=C1CCCCC1COCCCCF 7a_100009861125_100000729493 [1,0,0,1,0,0|2,0,0]=4 9284 B14R1.882 O=C1CCCCC1COCCCCO 34a_100009861125_100011216708 [1,0,0,1,0,0|1,0,0]=3 9285 B14R1.882 O=C1CCCCC1COCCCCO 7a_100009861125_100000210776 [1,0,0,1,0,0|1,0,0]=3 9286 B14R1.882 O=C1CCCCC1NCCCCCO 34a_100000762737_100000754470 [1,0,0,1,0,0|1,0,0]=3 9287 B14R1.882 O=C1CCCCC1NCCOCCO 34a_100000211614_100000754470 [1,0,0,1,0,0|2,0,0]=4 9288 B14R1.882 O=C1CCCCC1OCCCCCBr 34a_100000746331_100000754470 [1,0,0,1,0,0|2,0,0]=4 9289 B14R1.882 O=C1CCCCC1OCCCCCBr 7a_100000746331_100000204591 [1,0,0,1,0,0|2,0,0]=4 9290 B14R1.882 O=C1CCCCC1OCCCCCCl 34a_100000746330_100000754470 [1,0,0,1,0,0|2,0,0]=4 9291 B14R1.882 O=C1CCCCC1OCCCCCCl 7a_100000746330_100000204591 [1,0,0,1,0,0|2,0,0]=4 9292 B14R1.882 O=C1CCCCC1OCCCCCF 34a_100011214950_100000729378 [1,0,0,1,0,0|2,0,0]=4 9293 B14R1.882 O=C1CCCCC1OCCCCCI 34a_200012148887_100000754470 [1,0,0,1,0,0|2,0,0]=4 9294 B14R1.882 O=C1CCCCC1OCCCCCI 7a_200012148887_100000204591 [1,0,0,1,0,0|2,0,0]=4 9295 B14R1.882 O=C1CCCCC1OCCCCCO 34a_100011214950_100000746330 [1,0,0,1,0,0|1,0,0]=3 9296 B14R1.882 O=C1CCCCC1OCCOCCO 34a_100011214950_100000692535 [1,0,0,1,0,0|2,0,0]=4 9297 B14R1.882 O=C1CCCCC1SCCCCCF 62a_100000204591_100000729378 [1,0,0,1,0,0|2,0,0]=4 9298 B14R1.882 O=C1CCCCC1SCCCCCF 62a_100000729378_100000204591 [1,0,0,1,0,0|2,0,0]=4 9299 B14R1.882 O=C1CCCCC1SCCCCCO 62a_100000204591_100000746330 [1,0,0,1,0,0|1,0,0]=3 9300 B14R1.882 O=C1CCCCC1SCCCCCO 62a_100000746330_100000204591 [1,0,0,1,0,0|1,0,0]=3 9301 B14R1.882 O=C1CCCCC1SCCOCCO 62a_100000204591_100011215305 [1,0,0,1,0,0|2,0,0]=4 9302 B14R1.882 O=C1CCCCC1SCCOCCO 62a_100011215305_100000204591 [1,0,0,1,0,0|2,0,0]=4 9303 B14R1.882 O=C1CCCCN1CCNCCCO 2230a_100160573077_100000230001 [1,0,0,1,0,0|2,0,0]=4 9304 B14R1.882 O=C1CCCCN1CCNCCCO 34a_100160573077_100000230001 [1,0,0,1,0,0|2,0,0]=4 9305 B14R1.882 O=C1CCOCC1NCCCCCO 34a_100000762737_100012180262 [1,0,0,1,0,0|2,0,0]=4 9306 B14R1.882 O=C1CCOCC1SCCCCCO 62a_100000746330_100012180262 [1,0,0,1,0,0|2,0,0]=4 9307 B14R1.882 O=C1CCOCC1SCCCCCO 62a_100012180262_100000746330 [1,0,0,1,0,0|2,0,0]=4 9308 B14R1.882 O=C1NCCCC1NCCCCCO 2230a_100000747585_100000746330 [1,0,0,1,0,0|2,0,0]=4 9309 B14R1.882 O=C1NCCCC1NCCCCCO 2230a_100000762737_100000687798 [1,0,0,1,0,0|2,0,0]=4 9310 B14R1.882 O=C1NCCCC1NCCCCCO 34a_100000747585_100000746330 [1,0,0,1,0,0|2,0,0]=4 9311 B14R1.882 O=C1NCCCC1NCCCCCO 34a_100000762737_100000687798 [1,0,0,1,0,0|2,0,0]=4 9312 B14R1.882 O=C1NCCCC1OCCCCCO 34a_100000073722_100000746330 [1,0,0,1,0,0|2,0,0]=4 9313 B14R1.882 O=C1NCCCC1SCCCCCO 62a_100000687798_100000746330 [1,0,0,1,0,0|2,0,0]=4 9314 B14R1.882 O=C1NCCCC1SCCCCCO 62a_100000746330_100000687798 [1,0,0,1,0,0|2,0,0]=4 9315 B14R1.882 O=CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000139335 [1,0,0,1,0,0|2,0,0]=4 9316 B14R1.882 O=CCCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000139335 [1,0,0,1,0,0|2,0,0]=4 9317 B14R1.882 O=CCCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000139335 [1,0,0,1,0,0|2,0,0]=4 9318 B14R1.882 O=CCCCCOC1CCCCC1Cl 7a_100000038908_100000139335 [1,0,0,1,0,0|2,0,0]=4 9319 B14R1.882 O=CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000139335 [1,0,0,1,0,0|2,0,0]=4 9320 B14R1.882 O=CCCCCSC1CCCCC1F 62a_100000139335_100015423560 [1,0,0,1,0,0|2,0,0]=4 9321 B14R1.882 O=CCCCCSC1CCCCC1F 62a_100015423560_100000139335 [1,0,0,1,0,0|2,0,0]=4 9322 B14R1.882 O=CCCCCSC1CCCCC1O 62a_100000038908_100000139335 [1,0,0,1,0,0|1,0,0]=3 9323 B14R1.882 O=CCCCCSC1CCCCC1O 62a_100000139335_100000038908 [1,0,0,1,0,0|1,0,0]=3 9324 B14R1.882 OCCCCCNC1CCCCC1O 34a_100000762737_100000038908 [1,0,0,1,0,0|1,0,1]=4 9325 B14R1.882 OCCCCCSC1CCCCC1O 62a_100000038908_100000746330 [1,0,0,1,0,0|1,0,1]=4 9326 B14R1.882 OCCCCCSC1CCCCC1O 62a_100000746330_100000038908 [1,0,0,1,0,0|1,0,1]=4 9327 B14R1.882 OCCCCNCC1CCCCC1O 34a_100011216029_100011216708 [1,0,0,1,0,0|1,0,1]=4 9328 B14R1.891 C=CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215473 [1,0,0,1,0,0|2,0,0]=4 9329 B14R1.891 C=CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100011215473 [1,0,0,1,0,0|2,0,0]=4 9330 B14R1.891 C=CCCCCCCOCC1CCO1 34a_100000039022_100011215473 [1,0,0,1,0,0|2,0,0]=4 9331 B14R1.891 C=CCCCCCCOCC1CCO1 34a_200011216477_100000103362 [1,0,0,1,0,0|2,0,0]=4 9332 B14R1.891 C=CCCCCCCOCC1CCO1 7a_200011216477_100000103362 [1,0,0,1,0,0|2,0,0]=4 9333 B14R1.891 C=CCCCCCCSCC1CCO1 62a_100000103362_100011215473 [1,0,0,1,0,0|2,0,0]=4 9334 B14R1.891 C=CCCCCCCSCC1CCO1 62a_100011215473_100000103362 [1,0,0,1,0,0|2,0,0]=4 9335 B14R1.891 OCCCCCCCNCC1CCO1 2230a_100011996573_100000103362 [1,0,0,1,0,0|1,0,1]=4 9336 B14R1.891 OCCCCCCCNCC1CCO1 34a_100011996573_100000103362 [1,0,0,1,0,0|1,0,1]=4 9337 B14R1.891 OCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000760002 [1,0,0,1,0,0|1,0,1]=4 9338 B14R1.891 OCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000760002 [1,0,0,1,0,0|1,0,1]=4 9339 B14R1.891 OCCCCCCCOCC1CCO1 34a_100000039022_100000760002 [1,0,0,1,0,0|1,0,1]=4 9340 B14R1.891 OCCCCCCCSCC1CCO1 62a_100000103362_100000760002 [1,0,0,1,0,0|1,0,1]=4 9341 B14R1.891 OCCCCCCCSCC1CCO1 62a_100000760002_100000103362 [1,0,0,1,0,0|1,0,1]=4 9342 B14R1.904 C=CCC1CCCCC1NCCCO 269862a_100000182051_100011214939 [1,0,0,1,0,0|2,0,0]=4 9343 B14R1.904 C=CCC1CCCCC1NCCCO 270004a_100000182051_100011214939 [1,0,0,1,0,0|2,0,0]=4 9344 B14R1.904 C=CCCCN1CCCCC1CCO 2230a_100000211664_100011713584 [1,0,0,1,0,0|2,0,0]=4 9345 B14R1.904 C=CCCCN1CCCCC1CCO 269982a_100000211664_100000757094 [1,0,0,1,0,0|2,0,0]=4 9346 B14R1.904 C=CCCCN1CCCCC1CCO 34a_100000211664_100000757094 [1,0,0,1,0,0|2,0,0]=4 9347 B14R1.904 CCCC1CCCCN1CCCC=O 2230a_100000701414_200011292268 [1,0,0,1,0,0|2,0,0]=4 9348 B14R1.904 CCCC1CCCCN1CCCC=O 269982a_100000701414_200011292268 [1,0,0,1,0,0|2,0,0]=4 9349 B14R1.904 O=CCCCN1CCCCC1CCO 2230a_100000211664_200011292268 [1,0,0,1,0,0|1,0,0]=3 9350 B14R1.904 O=CCCCN1CCCCC1CCO 269982a_100000211664_200011292268 [1,0,0,1,0,0|1,0,0]=3 9351 B14R1.904 OCCCCN1CCCCC1CCO 2230a_100000211664_100000210776 [1,0,0,1,0,0|1,0,1]=4 9352 B14R1.904 OCCCCN1CCCCC1CCO 269982a_100000211664_100000210776 [1,0,0,1,0,0|1,0,1]=4 9353 B14R1.904 OCCCCN1CCCCC1CCO 34a_100000211664_100011216708 [1,0,0,1,0,0|1,0,1]=4 9354 B14R1.1254 O=CCCCCN1CCCCCCC1 2230a_100000211400_100000139335 [1,0,0,1,0,0|2,0,0]=4 9355 B14R1.1254 O=CCCCCN1CCCCCCC1 269982a_100000211400_100000139335 [1,0,0,1,0,0|2,0,0]=4 9356 B14R1.1254 O=CCCCNC1CCCCCCC1 2230a_100000211152_200011292268 [1,0,0,1,0,0|2,0,0]=4 9357 B14R1.1254 O=CCCCOC1CCCCCCC1 7a_100000210054_200011292268 [1,0,0,1,0,0|2,0,0]=4 9358 B14R1.1254 O=CCNCCC1CCCCCCC1 2230a_100011532352_200015260668 [1,0,0,1,0,0|2,0,0]=4 9359 B14R1.1254 O=CCNCCC1CCCCCCC1 34a_100011532352_200009817547 [1,0,0,1,0,0|2,0,0]=4 9360 B14R1.1254 OCCCCOC1C=CCCCCC1 34a_100000688657_100011216708 [1,0,0,1,0,0|2,0,0]=4 9361 B14R1.2352 O=CCCCCCN1CCCCCC1 2230a_100000185865_100000139337 [1,0,0,1,0,0|2,0,0]=4 9362 B14R1.2352 O=CCCCCCN1CCCCCC1 269982a_100000185865_100000139337 [1,0,0,1,0,0|2,0,0]=4 9363 B14R1.2352 O=CCCCCNC1CCCCCC1 2230a_100000210984_100000139335 [1,0,0,1,0,0|2,0,0]=4 9364 B14R1.2352 O=CCCCCOC1CCCCCC1 7a_100000210887_100000139335 [1,0,0,1,0,0|2,0,0]=4 9365 B14R1.2352 O=CCCCCSC1CCCCCC1 62a_100000139335_100011217769 [1,0,0,1,0,0|2,0,0]=4 9366 B14R1.2352 O=CCCCCSC1CCCCCC1 62a_100011217769_100000139335 [1,0,0,1,0,0|2,0,0]=4 9367 B14R1.2352 O=CCCCNCC1CCCCCC1 2230a_100015204231_200011292268 [1,0,0,1,0,0|2,0,0]=4 9368 B14R1.2352 O=CCCCOCC1CCCCCC1 7a_100000699130_200011292268 [1,0,0,1,0,0|2,0,0]=4 9369 B14R1.2352 O=CCCCSCC1CCCCCC1 62a_200000696569_200011292268 [1,0,0,1,0,0|2,0,0]=4 9370 B14R1.2352 O=CCCCSCC1CCCCCC1 62a_200011292268_200000696569 [1,0,0,1,0,0|2,0,0]=4 9371 B14R1.6533 O=CCCCN1CCCCCCCC1 2230a_100000039187_200011292268 [1,0,0,1,0,0|2,0,0]=4 9372 B14R1.6533 O=CCCCN1CCCCCCCC1 269982a_100000039187_200011292268 [1,0,0,1,0,0|2,0,0]=4 9373 B16R1.262 CCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210757 [0,1,0,1,0,0|2,0,0]=4 9374 B16R1.262 O=C(O)CC1CCCN(C1)CCCCCF 269956a_100015207179_100000729378 [0,1,0,1,0,0|2,0,0]=4 9375 B16R1.262 O=C(O)CC1CCCN(C1)CCCCCO 269956a_100015207179_100000746330 [0,1,0,1,0,0|1,0,0]=3 9376 B16R1.262 O=C(O)CC1CCCN(C1)CCOCCO 269956a_100015207179_100011215305 [0,1,0,1,0,0|2,0,0]=4 9377 B16R1.262 O=C(O)CC1CN(CCO1)CCCCCO 269956a_100015183369_100000746330 [0,1,0,1,0,0|2,0,0]=4 9378 B16R1.642 CCCCCCCCCNC1COC(=O)O1 34a_100000212291_100000032252 [0,1,0,1,0,0|2,0,0]=4 9379 B16R1.642 CCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011214924 [0,1,0,1,0,0|2,0,0]=4 9380 B16R1.642 CCCCCCCCCOC1COC(=O)O1 34a_100000210712_100000032252 [0,1,0,1,0,0|2,0,0]=4 9381 B16R1.642 CCCCCCCCNCC1CNC(=O)O1 2230a_100000229939_100000181169 [0,1,0,1,0,0|2,0,0]=4 9382 B16R1.642 CCCCCCCCNCC1CNC(=O)O1 34a_100000229939_100000181169 [0,1,0,1,0,0|2,0,0]=4 9383 B16R1.642 CCCCCCCCNCC1COC(=O)O1 34a_100000229939_100000073702 [0,1,0,1,0,0|2,0,0]=4 9384 B16R1.642 CCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229939_100015189358 [0,1,0,1,0,0|2,0,0]=4 9385 B16R1.642 CCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210759 [0,1,0,1,0,0|2,0,0]=4 9386 B16R1.642 CCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210759 [0,1,0,1,0,0|2,0,0]=4 9387 B16R1.642 CCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210759 [0,1,0,1,0,0|2,0,0]=4 9388 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 34a_100000210232_100000181169 [0,1,0,1,0,0|2,0,0]=4 9389 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210759 [0,1,0,1,0,0|2,0,0]=4 9390 B16R1.642 CCCCCCCCOCC1CNC(=O)O1 7a_100000210232_100000181169 [0,1,0,1,0,0|2,0,0]=4 9391 B16R1.642 CCCCCCCCOCC1COC(=O)O1 34a_100000210232_100000073702 [0,1,0,1,0,0|2,0,0]=4 9392 B16R1.642 CCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210232_100015189358 [0,1,0,1,0,0|2,0,0]=4 9393 B16R1.642 CCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210317 [0,1,0,1,0,0|2,0,0]=4 9394 B16R1.642 CCCCCCCCSCC1CNC(=O)O1 62a_100000210759_100000181169 [0,1,0,1,0,0|2,0,0]=4 9395 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210317 [0,1,0,1,0,0|2,0,0]=4 9396 B16R1.642 CCCCCCCCSCC1COC(=O)O1 62a_100000210759_100000073702 [0,1,0,1,0,0|2,0,0]=4 9397 B16R1.642 CCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210759_100015189358 [0,1,0,1,0,0|2,0,0]=4 9398 B16R1.642 CCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210317 [0,1,0,1,0,0|2,0,0]=4 9399 B16R1.642 COCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011998445 [0,1,0,1,0,0|2,0,0]=4 9400 B16R1.642 COCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011998445 [0,1,0,1,0,0|2,0,0]=4 9401 B16R1.642 COCCCCCCOCC1CCC(=O)N1 34a_100000737831_100011998445 [0,1,0,1,0,0|2,0,0]=4 9402 B16R1.642 COCCCCCCOCC1CNC(=O)O1 34a_100011315639_100011998445 [0,1,0,1,0,0|2,0,0]=4 9403 B16R1.642 COCCCCCCOCC1CNC(=O)O1 34a_200012092642_100000181169 [0,1,0,1,0,0|2,0,0]=4 9404 B16R1.642 COCCCCCCOCC1CNC(=O)O1 7a_200012092642_100000181169 [0,1,0,1,0,0|2,0,0]=4 9405 B16R1.642 COCCCCCCOCC1COC(=O)O1 34a_200012092642_100000073702 [0,1,0,1,0,0|2,0,0]=4 9406 B16R1.642 COCCCCCCOC[C@@H]1CCC(=O)N1 7a_200012092642_100015189358 [0,1,0,1,0,0|2,0,0]=4 9407 B16R1.642 COCCCCCCSCC1CNC(=O)O1 62a_100000181169_100011998445 [0,1,0,1,0,0|2,0,0]=4 9408 B16R1.642 COCCCCCCSCC1CNC(=O)O1 62a_100011998445_100000181169 [0,1,0,1,0,0|2,0,0]=4 9409 B16R1.642 COCCCCCCSCC1COC(=O)O1 62a_100000073702_100011998445 [0,1,0,1,0,0|2,0,0]=4 9410 B16R1.642 COCCCCCCSCC1COC(=O)O1 62a_100011998445_100000073702 [0,1,0,1,0,0|2,0,0]=4 9411 B16R1.642 COCCCCCCSC[C@@H]1CCC(=O)N1 62a_100011998445_100015189358 [0,1,0,1,0,0|2,0,0]=4 9412 B16R1.642 COCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011998445 [0,1,0,1,0,0|2,0,0]=4 9413 B16R1.642 NCCCCCCCCOC1COC(=O)O1 34a_102515433106_100000032252 [0,1,0,1,0,0|2,0,0]=4 9414 B16R1.642 NCCCCCCCOCC1CNC(=O)O1 34a_100011996573_100000181169 [0,1,0,1,0,0|2,0,0]=4 9415 B16R1.642 NCCCCCCCOCC1COC(=O)O1 34a_100011996573_100000073702 [0,1,0,1,0,0|2,0,0]=4 9416 B16R1.642 O=C1CC(CN1)CNCCCCCCCO 2230a_100016993742_100000760002 [0,1,0,1,0,0|2,0,0]=4 9417 B16R1.642 O=C1CC(CN1)CNCCCCCCCO 34a_100016993742_100000760002 [0,1,0,1,0,0|2,0,0]=4 9418 B16R1.642 O=C1CC(CN1)COCCCCCCCO 34a_100016041077_100000760002 [0,1,0,1,0,0|2,0,0]=4 9419 B16R1.642 O=C1CC(CN1)NCCCCCCCCO 2230a_100000697751_100000033203 [0,1,0,1,0,0|2,0,0]=4 9420 B16R1.642 O=C1CC(CN1)OCCCCCCCCO 34a_100000690082_100000033203 [0,1,0,1,0,0|2,0,0]=4 9421 B16R1.642 O=C1CCC(C1)OCCCCCCCCO 34a_100012614533_100000033203 [0,1,0,1,0,0|1,0,0]=3 9422 B16R1.642 O=C1CCC(N1)COCCCCCCCO 34a_100000737831_100000760002 [0,1,0,1,0,0|1,0,0]=3 9423 B16R1.642 O=C1CC[C@@H](N1)CNCCCCCCCO 2230a_100015423886_100000760002 [0,1,0,1,0,0|1,0,0]=3 9424 B16R1.642 O=C1CC[C@@H](N1)CNCCCCCCCO 34a_100015423886_100000760002 [0,1,0,1,0,0|1,0,0]=3 9425 B16R1.642 O=C1CC[C@H](N1)CNCCCCCCCO 2230a_100011996573_100015189358 [0,1,0,1,0,0|1,0,0]=3 9426 B16R1.642 O=C1CC[C@H](N1)CNCCCOCCCO 2230a_100011310245_100015189358 [0,1,0,1,0,0|2,0,0]=4 9427 B16R1.642 O=C1CC[C@H](N1)COCCCCCCCBr 7a_100000760002_100015189358 [0,1,0,1,0,0|2,0,0]=4 9428 B16R1.642 O=C1CC[C@H](N1)CSCCCCCCCO 62a_100000760002_100015189358 [0,1,0,1,0,0|1,0,0]=3 9429 B16R1.642 O=C1CC[C@H](N1)CSCCCCCCCO 62a_100015189358_100000760002 [0,1,0,1,0,0|1,0,0]=3 9430 B16R1.642 O=C1CN(CN1)CCCCCCCCCO 2230a_200000708111_100009813782 [0,1,0,1,0,0|2,0,0]=4 9431 B16R1.642 O=C1NCC(O1)CNCCCCCCCO 2230a_100011996573_100000181169 [0,1,0,1,0,0|1,0,0]=3 9432 B16R1.642 O=C1NCC(O1)CNCCCCCCCO 34a_100011996573_100000181169 [0,1,0,1,0,0|1,0,0]=3 9433 B16R1.642 O=C1NCC(O1)CNCCCOCCCO 2230a_100011310245_100000181169 [0,1,0,1,0,0|2,0,0]=4 9434 B16R1.642 O=C1NCC(O1)CNCCCOCCCO 34a_100011310245_100000181169 [0,1,0,1,0,0|2,0,0]=4 9435 B16R1.642 O=C1NCC(O1)COCCCCCCCBr 34a_100000760002_100000181169 [0,1,0,1,0,0|2,0,0]=4 9436 B16R1.642 O=C1NCC(O1)COCCCCCCCBr 7a_100000760002_100000181169 [0,1,0,1,0,0|2,0,0]=4 9437 B16R1.642 O=C1NCC(O1)COCCCCCCCO 34a_100011315639_100000760002 [0,1,0,1,0,0|1,0,0]=3 9438 B16R1.642 O=C1NCC(O1)CSCCCCCCCO 62a_100000181169_100000760002 [0,1,0,1,0,0|1,0,0]=3 9439 B16R1.642 O=C1NCC(O1)CSCCCCCCCO 62a_100000760002_100000181169 [0,1,0,1,0,0|1,0,0]=3 9440 B16R1.642 O=C1N[C@H](CO1)CNCCCCCCCO 2230a_100011996573_100015307671 [0,1,0,1,0,0|2,0,0]=4 9441 B16R1.642 O=C1N[C@H](CO1)CNCCCCCCCO 34a_100011996573_100015307671 [0,1,0,1,0,0|2,0,0]=4 9442 B16R1.642 O=C1N[C@H](CO1)CSCCCCCCCO 62a_100000760002_100015307671 [0,1,0,1,0,0|2,0,0]=4 9443 B16R1.642 O=C1N[C@H](CO1)CSCCCCCCCO 62a_100015307671_100000760002 [0,1,0,1,0,0|2,0,0]=4 9444 B16R1.642 O=C1OCC(O1)CNCCCCCCCO 34a_100011996573_100000073702 [0,1,0,1,0,0|1,0,0]=3 9445 B16R1.642 O=C1OCC(O1)CNCCCOCCCO 34a_100011310245_100000073702 [0,1,0,1,0,0|2,0,0]=4 9446 B16R1.642 O=C1OCC(O1)COCCCCCCCBr 34a_100000760002_100000073702 [0,1,0,1,0,0|2,0,0]=4 9447 B16R1.642 O=C1OCC(O1)CSCCCCCCCO 62a_100000073702_100000760002 [0,1,0,1,0,0|1,0,0]=3 9448 B16R1.642 O=C1OCC(O1)CSCCCCCCCO 62a_100000760002_100000073702 [0,1,0,1,0,0|1,0,0]=3 9449 B16R1.642 O=C1OCC(O1)NCCCCCCCCO 34a_102515433106_100000032252 [0,1,0,1,0,0|1,0,0]=3 9450 B16R1.642 O=C1OCC(O1)OCCCCCCCCBr 34a_100009813846_100000032252 [0,1,0,1,0,0|2,0,0]=4 9451 B16R1.642 O=C1OCC(O1)OCCCCCCCCCl 34a_100000033203_100000032252 [0,1,0,1,0,0|2,0,0]=4 9452 B16R1.642 O=C1OCC(O1)SCCCCCCCCO 62a_100000033203_100000032252 [0,1,0,1,0,0|1,0,0]=3 9453 B16R1.642 O=S1OCC(O1)CCSCCCCCCO 62a_100000766143_100009840081 [0,1,0,1,0,0|2,0,0]=4 9454 B16R1.642 OCCCCCCCCCN1CCC(C1)O 2230a_100011215560_100009813782 [0,1,0,1,0,0|1,0,1]=4 9455 B16R1.642 OCCCCCCCCCN1CCC(C1)O 269982a_100011215560_100009813782 [0,1,0,1,0,0|1,0,1]=4 9456 B16R1.642 OCCCCCCCCNC1CCC(C1)O 270004a_102515433106_100012614533 [0,1,0,1,0,0|1,0,1]=4 9457 B16R1.642 OCCCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000033203 [0,1,0,1,0,0|1,0,1]=4 9458 B16R1.5019 CCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210614 [0,1,0,1,0,0|2,0,0]=4 9459 B16R1.5019 O=C(O)CC1CCN(C1)CCCCCCF 269956a_100000719201_100015922095 [0,1,0,1,0,0|2,0,0]=4 9460 B16R1.5019 O=C(O)CC1CCN(C1)CCCCCCO 269956a_100000719201_100000766143 [0,1,0,1,0,0|1,0,0]=3 9461 B16R1.6929 CN(CCCOC1CCCCO1)CC(=O)O 269956a_100000746989_100000700653 [0,1,0,1,0,0|2,0,0]=4 9462 B16R1.6929 O=C(O)CC(O)CNCCC1CCCCC1 269956a_100011218706_100011273959 [0,1,0,1,0,0|2,0,0]=4 9463 B16R1.6929 O=C(O)CC(O)CNCCC1OCCCO1 269956a_100011218706_100000764188 [0,1,0,1,0,0|2,0,0]=4 9464 B16R1.6935 O=C(O)CC(O)CNCCCC1CCCC1 269956a_100011218706_100011713738 [0,1,0,1,0,0|2,0,0]=4 9465 B16R1.6935 O=C(O)CC(O)CNCCCC1OCCO1 269956a_100011218706_100000042513 [0,1,0,1,0,0|2,0,0]=4 9466 B16R1.8383 CCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210759 [0,1,0,1,0,0|2,0,0]=4 9467 B16R1.8383 O=C(O)CC1CN(C1)CCCCCCCO 269956a_100016993960_100000760002 [0,1,0,1,0,0|1,0,0]=3 9468 B16R1.10873 CC(=O)C1CCCCCCCCCCC1=O 1458a_100000070787_200009990614 [0,1,0,1,0,0|1,0,1]=4 9469 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100015343762 [0,1,0,1,0,0|2,0,0]=4 9470 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100015343762 [0,1,0,1,0,0|2,0,0]=4 9471 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100015343762 [0,1,0,1,0,0|2,0,0]=4 9472 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100103153847 [0,1,0,1,0,0|2,0,0]=4 9473 B16R1.58444 O=C(O)CC(O)CNCC1CCCCCC1 269956a_100011218706_200000696569 [0,1,0,1,0,0|2,0,0]=4 9474 B16R1.6 O=C1CCC(CC1)COCCCCCCO 34a_100000062911_100000766143 [0,1,0,1,0,0|2,0,0]=4 9475 B16R1.6 O=C1CCC(CC1)OCCCCCCCO 34a_100000764474_100000760002 [0,1,0,1,0,0|2,0,0]=4 9476 B16R1.6 O=C1CCC(CC1)OCCCCCCCO 7a_100000764474_100000760002 [0,1,0,1,0,0|2,0,0]=4 9477 B16R1.6 O=C1CCC(CN1)NCCCCCCCO 2230a_100000748762_100000760002 [0,1,0,1,0,0|2,0,0]=4 9478 B16R1.6 O=C1CCC(CN1)NCCCCCCCO 34a_100000748762_100000760002 [0,1,0,1,0,0|2,0,0]=4 9479 B16R1.6 O=C1CCC(CN1)OCCCCCCCO 34a_100000079199_100000760002 [0,1,0,1,0,0|2,0,0]=4 9480 B16R1.75 CN1C(=O)CCCC1CNCCCCCO 2230a_200010383782_100000746330 [0,1,0,1,0,0|2,0,0]=4 9481 B16R1.75 CN1C(=O)CCCC1CNCCCCCO 34a_200010383782_100000746330 [0,1,0,1,0,0|2,0,0]=4 9482 B16R1.273 CCCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210314 [0,1,0,1,0,0|2,0,0]=4 9483 B16R1.273 CCCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210757 [0,1,0,1,0,0|2,0,0]=4 9484 B16R1.273 CCCCCCN1CCCCC1C(=O)OC 34a_100000734855_100000210314 [0,1,0,1,0,0|2,0,0]=4 9485 B16R1.273 CCCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000718602 [0,1,0,1,0,0|2,0,0]=4 9486 B16R1.273 CCCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210326 [0,1,0,1,0,0|2,0,0]=4 9487 B16R1.273 CNC(=O)C1CCCCN1CCCCCO 2230a_100011209383_100000746330 [0,1,0,1,0,0|2,0,0]=4 9488 B16R1.273 CNC(=O)C1CCCCN1CCCCCO 269982a_100011209383_100000746330 [0,1,0,1,0,0|2,0,0]=4 9489 B16R1.273 CNC(=O)C1CCCCN1CCCCCO 34a_100011209383_100000746330 [0,1,0,1,0,0|2,0,0]=4 9490 B16R1.273 COC(=O)C1CCCCN1CCCCCF 2230a_100000734855_100000729378 [0,1,0,1,0,0|2,0,0]=4 9491 B16R1.273 COC(=O)C1CCCCN1CCCCCF 269982a_100000734855_100000729378 [0,1,0,1,0,0|2,0,0]=4 9492 B16R1.273 COC(=O)C1CCCCN1CCCCCF 34a_100000734855_100000729378 [0,1,0,1,0,0|2,0,0]=4 9493 B16R1.273 COC(=O)C1CCCCN1CCCCCO 2230a_100000734855_100000746330 [0,1,0,1,0,0|1,0,0]=3 9494 B16R1.273 COC(=O)C1CCCCN1CCCCCO 269982a_100000734855_100000746330 [0,1,0,1,0,0|1,0,0]=3 9495 B16R1.273 COC(=O)C1CCCCN1CCCCCO 34a_100000734855_100000746330 [0,1,0,1,0,0|1,0,0]=3 9496 B16R1.273 COC(=O)C1CCCCN1CCOCCO 2230a_100000734855_100011215305 [0,1,0,1,0,0|2,0,0]=4 9497 B16R1.273 COC(=O)C1CCCCN1CCOCCO 269982a_100000734855_100011215305 [0,1,0,1,0,0|2,0,0]=4 9498 B16R1.273 COC(=O)C1CCCCN1CCOCCO 34a_100000734855_100000692535 [0,1,0,1,0,0|2,0,0]=4 9499 B16R1.273 COC(=O)C1CNCCC1OCCCCO 34a_200103168510_100011216708 [0,1,0,1,0,0|2,0,0]=4 9500 B16R1.273 COC(=O)C1COCCN1CCCCCO 2230a_100000765174_100000746330 [0,1,0,1,0,0|2,0,0]=4 9501 B16R1.273 COC(=O)C1COCCN1CCCCCO 34a_100000765174_100000746330 [0,1,0,1,0,0|2,0,0]=4 9502 B16R1.273 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCF 34a_100015709673_100000729493 [0,1,0,1,0,0|2,0,0]=4 9503 B16R1.273 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCF 7a_100015709673_100000729493 [0,1,0,1,0,0|2,0,0]=4 9504 B16R1.273 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCO 34a_100015709673_100011216708 [0,1,0,1,0,0|1,0,0]=3 9505 B16R1.273 COC(=O)[C@@H]1CCCC[C@@H]1OCCCCO 7a_100015709673_100000210776 [0,1,0,1,0,0|1,0,0]=3 9506 B16R1.285 CCCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210314 [0,1,0,1,0,0|2,0,0]=4 9507 B16R1.285 CCCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210757 [0,1,0,1,0,0|2,0,0]=4 9508 B16R1.285 CCCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210314 [0,1,0,1,0,0|2,0,0]=4 9509 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCF 2230a_100025726698_100000729378 [0,1,0,1,0,0|2,0,0]=4 9510 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCF 269982a_100025726698_100000729378 [0,1,0,1,0,0|2,0,0]=4 9511 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCF 34a_100025726698_100000729378 [0,1,0,1,0,0|2,0,0]=4 9512 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCO 2230a_100025726698_100000746330 [0,1,0,1,0,0|1,0,0]=3 9513 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCO 269982a_100025726698_100000746330 [0,1,0,1,0,0|1,0,0]=3 9514 B16R1.285 COC(=O)C[C@H]1CCCN1CCCCCO 34a_100025726698_100000746330 [0,1,0,1,0,0|1,0,0]=3 9515 B16R1.285 COC(=O)C[C@H]1CCCN1CCOCCO 2230a_100025726698_100011215305 [0,1,0,1,0,0|2,0,0]=4 9516 B16R1.285 COC(=O)C[C@H]1CCCN1CCOCCO 269982a_100025726698_100011215305 [0,1,0,1,0,0|2,0,0]=4 9517 B16R1.285 COC(=O)C[C@H]1CCCN1CCOCCO 34a_100025726698_100000692535 [0,1,0,1,0,0|2,0,0]=4 9518 B16R1.696 CCCC1CCCCC1OCCC(=O)OC 34a_100011217265_100000742370 [0,1,0,1,0,0|2,0,0]=4 9519 B16R1.696 CCCC1CCCCC1OCCC(=O)OC 7a_100011217265_100000204255 [0,1,0,1,0,0|2,0,0]=4 9520 B16R1.696 CCCC1CCCCN1CCCC(=O)OC 2230a_100000701414_100011218270 [0,1,0,1,0,0|2,0,0]=4 9521 B16R1.696 CCCC1CCCCN1CCCC(=O)OC 269982a_100000701414_100011218270 [0,1,0,1,0,0|2,0,0]=4 9522 B16R1.696 CCCC1CCCCN1CCCC(=O)OC 34a_100000701414_100000742333 [0,1,0,1,0,0|2,0,0]=4 9523 B16R1.696 CNC(=O)CCCN1CCCCC1CCO 2230a_100000211664_100000741757 [0,1,0,1,0,0|2,0,0]=4 9524 B16R1.696 CNC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100000741757 [0,1,0,1,0,0|2,0,0]=4 9525 B16R1.696 CNC(=O)CCCN1CCCCC1CCO 34a_100000211664_100000741757 [0,1,0,1,0,0|2,0,0]=4 9526 B16R1.696 COC(=O)CCCN1CCCCC1CCO 2230a_100000211664_100011218270 [0,1,0,1,0,0|1,0,0]=3 9527 B16R1.696 COC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100011218270 [0,1,0,1,0,0|1,0,0]=3 9528 B16R1.696 COC(=O)CCCN1CCCCC1CCO 34a_100000211664_100000742333 [0,1,0,1,0,0|1,0,0]=3 9529 B16R1.994 CNC(=O)CCN1CCCCC1CCCO 2230a_100011934581_100000737683 [0,1,0,1,0,0|2,0,0]=4 9530 B16R1.994 CNC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000737683 [0,1,0,1,0,0|2,0,0]=4 9531 B16R1.994 CNC(=O)CCN1CCCCC1CCCO 34a_100011934581_100012179268 [0,1,0,1,0,0|2,0,0]=4 9532 B16R1.994 COC(=O)CCN1CCCCC1CCCO 2230a_100011934581_100000204255 [0,1,0,1,0,0|1,0,0]=3 9533 B16R1.994 COC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000204255 [0,1,0,1,0,0|1,0,0]=3 9534 B16R1.994 COC(=O)CCN1CCCCC1CCCO 34a_100011934581_100000742370 [0,1,0,1,0,0|1,0,0]=3 9535 B16R1.1095 COC(=O)CCCCCCCN1CCCC1 2230a_100000188435_100010004213 [0,1,0,1,0,0|2,0,0]=4 9536 B16R1.1095 COC(=O)CCCCCCCN1CCCC1 269982a_100000188435_100010004213 [0,1,0,1,0,0|2,0,0]=4 9537 B16R1.1095 COC(=O)CCCCCCNC1CCCC1 2230a_100000211070_100009815986 [0,1,0,1,0,0|2,0,0]=4 9538 B16R1.1095 COC(=O)CCCCCCNC1CCCC1 34a_100000211070_100009815986 [0,1,0,1,0,0|2,0,0]=4 9539 B16R1.1095 COC(=O)CCCCCCOC1CCCC1 34a_100000210269_100009815986 [0,1,0,1,0,0|2,0,0]=4 9540 B16R1.1095 COC(=O)CCCCCCOC1CCCC1 34a_100009863599_100000179811 [0,1,0,1,0,0|2,0,0]=4 9541 B16R1.1095 COC(=O)CCCCCCOC1CCCC1 7a_100000210269_100009815986 [0,1,0,1,0,0|2,0,0]=4 9542 B16R1.1095 COC(=O)CCCCCCOC1CCCC1 7a_100009863599_100000179811 [0,1,0,1,0,0|2,0,0]=4 9543 B16R1.1095 COC(=O)CCCCCCOC1CCCO1 34a_100000085407_100009815986 [0,1,0,1,0,0|1,0,0]=3 9544 B16R1.1095 COC(=O)CCCCCCSC1CCCC1 62a_100009815986_100000179811 [0,1,0,1,0,0|2,0,0]=4 9545 B16R1.1095 COC(=O)CCCCCCSC1CCCC1 62a_100011217020_100009815986 [0,1,0,1,0,0|2,0,0]=4 9546 B16R1.1095 COC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100009816466 [0,1,0,1,0,0|2,0,0]=4 9547 B16R1.1095 COC(=O)CCCCCNCC1CCCC1 34a_100000737975_100009816466 [0,1,0,1,0,0|2,0,0]=4 9548 B16R1.1095 COC(=O)CCCCCNCC1OCCO1 2230a_100000036311_100009816466 [0,1,0,1,0,0|2,0,0]=4 9549 B16R1.1095 COC(=O)CCCCCNCC1OCCO1 34a_100000036311_100009816466 [0,1,0,1,0,0|2,0,0]=4 9550 B16R1.1095 COC(=O)CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009816466 [0,1,0,1,0,0|1,0,0]=3 9551 B16R1.1095 COC(=O)CCCCCNC[C@@H]1CCCO1 34a_100020590478_100009816466 [0,1,0,1,0,0|1,0,0]=3 9552 B16R1.1095 COC(=O)CCCCCOCC1CCCC1 34a_100000074720_100000740388 [0,1,0,1,0,0|2,0,0]=4 9553 B16R1.1095 COC(=O)CCCCCOCC1CCCC1 34a_100000742336_100009816466 [0,1,0,1,0,0|2,0,0]=4 9554 B16R1.1095 COC(=O)CCCCCOCC1CCCC1 7a_100000074720_100000740388 [0,1,0,1,0,0|2,0,0]=4 9555 B16R1.1095 COC(=O)CCCCCOCC1CCCC1 7a_100000742336_100009816466 [0,1,0,1,0,0|2,0,0]=4 9556 B16R1.1095 COC(=O)CCCCCOCC1CCCO1 34a_100000210270_100009816466 [0,1,0,1,0,0|1,0,0]=3 9557 B16R1.1095 COC(=O)CCCCCOCC1CCCO1 7a_100000074720_100000203698 [0,1,0,1,0,0|1,0,0]=3 9558 B16R1.1095 COC(=O)CCCCCOCC1CCCO1 7a_100000210270_100009816466 [0,1,0,1,0,0|1,0,0]=3 9559 B16R1.1095 COC(=O)CCCCCOCC1COCO1 34a_100011216627_100009816466 [0,1,0,1,0,0|2,0,0]=4 9560 B16R1.1095 COC(=O)CCCCCOCC1OCCO1 34a_100000074720_100000755774 [0,1,0,1,0,0|2,0,0]=4 9561 B16R1.1095 COC(=O)CCCCCOCC1OCCO1 34a_100000087154_100009816466 [0,1,0,1,0,0|2,0,0]=4 9562 B16R1.1095 COC(=O)CCCCCOCC1OCCO1 7a_100000074720_100000755774 [0,1,0,1,0,0|2,0,0]=4 9563 B16R1.1095 COC(=O)CCCCCOC[C@H]1CCCN1 34a_100000745186_100009816466 [0,1,0,1,0,0|2,0,0]=4 9564 B16R1.1095 COC(=O)CCCCCSCC1CCCC1 62a_100000740388_100009816466 [0,1,0,1,0,0|2,0,0]=4 9565 B16R1.1095 COC(=O)CCCCCSCC1CCCC1 62a_100009816466_100000740388 [0,1,0,1,0,0|2,0,0]=4 9566 B16R1.1095 COC(=O)CCCCCSCC1CCCO1 62a_100000203698_100009816466 [0,1,0,1,0,0|1,0,0]=3 9567 B16R1.1095 COC(=O)CCCCCSCC1CCCO1 62a_100009816466_100000203698 [0,1,0,1,0,0|1,0,0]=3 9568 B16R1.1095 COC(=O)CCCCCSCC1OCCO1 62a_100000755774_100009816466 [0,1,0,1,0,0|2,0,0]=4 9569 B16R1.1095 COC(=O)CCCCCSCC1OCCO1 62a_100009816466_100000755774 [0,1,0,1,0,0|2,0,0]=4 9570 B16R1.1095 COC(=O)CCCCNCCC1CCCC1 2230a_100000739158_100000204269 [0,1,0,1,0,0|2,0,0]=4 9571 B16R1.1095 COC(=O)CCCCNCCC1CCCC1 34a_100000739158_100000204269 [0,1,0,1,0,0|2,0,0]=4 9572 B16R1.1095 COC(=O)CCCCNCCC1OCCO1 2230a_100000034215_100000204269 [0,1,0,1,0,0|2,0,0]=4 9573 B16R1.1095 COC(=O)CCCCNCCC1OCCO1 34a_100000034215_100000204269 [0,1,0,1,0,0|2,0,0]=4 9574 B16R1.1095 COC(=O)CCCCOCCC1CCCC1 34a_100000059025_100000760354 [0,1,0,1,0,0|2,0,0]=4 9575 B16R1.1095 COC(=O)CCCCOCCC1CCCC1 34a_100000749090_100000204269 [0,1,0,1,0,0|2,0,0]=4 9576 B16R1.1095 COC(=O)CCCCOCCC1CCCC1 7a_100000059025_100000760354 [0,1,0,1,0,0|2,0,0]=4 9577 B16R1.1095 COC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000204269 [0,1,0,1,0,0|2,0,0]=4 9578 B16R1.1095 COC(=O)CCCCOCCC1OCCO1 34a_100000059025_100000740749 [0,1,0,1,0,0|2,0,0]=4 9579 B16R1.1095 COC(=O)CCCCOCCC1OCCO1 7a_100000059025_100000740749 [0,1,0,1,0,0|2,0,0]=4 9580 B16R1.1095 COC(=O)CCCCSCCC1CCCC1 62a_100000204269_100000760354 [0,1,0,1,0,0|2,0,0]=4 9581 B16R1.1095 COC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000204269 [0,1,0,1,0,0|2,0,0]=4 9582 B16R1.1095 COC(=O)CCCCSCCC1OCCO1 62a_100000204269_100000740749 [0,1,0,1,0,0|2,0,0]=4 9583 B16R1.1095 COC(=O)CCCNCCCC1CCCC1 2230a_100000736752_100011218270 [0,1,0,1,0,0|2,0,0]=4 9584 B16R1.1095 COC(=O)CCCNCCCC1CCCC1 34a_100000736752_100000742333 [0,1,0,1,0,0|2,0,0]=4 9585 B16R1.1095 COC(=O)CCCOCCCC1CCCC1 34a_100011215328_100000742333 [0,1,0,1,0,0|2,0,0]=4 9586 B16R1.1095 COC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011218270 [0,1,0,1,0,0|2,0,0]=4 9587 B16R1.1095 COC(=O)CCCOCCCC1OCCO1 34a_100009871617_100000742333 [0,1,0,1,0,0|2,0,0]=4 9588 B16R1.1095 COC(=O)CCCOCCCC1OCCO1 7a_100009871617_100011218270 [0,1,0,1,0,0|2,0,0]=4 9589 B16R1.1095 COC(=O)CCCSCCCC1CCCC1 62a_100011218270_100011713738 [0,1,0,1,0,0|2,0,0]=4 9590 B16R1.1095 COC(=O)CCCSCCCC1CCCC1 62a_100011713738_100011218270 [0,1,0,1,0,0|2,0,0]=4 9591 B16R1.1095 COC(=O)CCCSCCCC1OCCO1 62a_100011218270_100000042513 [0,1,0,1,0,0|2,0,0]=4 9592 B16R1.1095 COC(=O)CCSCCCCC1OCCO1 62a_100000204255_100000034956 [0,1,0,1,0,0|2,0,0]=4 9593 B16R1.1095 COC(=O)COCCCCOC1CCCO1 34a_100011018183_100000747449 [0,1,0,1,0,0|2,0,0]=4 9594 B16R1.1095 COC(=O)COCCCCOC1CCCO1 7a_100011018183_100000747449 [0,1,0,1,0,0|2,0,0]=4 9595 B16R1.1133 CNC(=O)CCCNCC1CCCCC1O 34a_100011216029_100000741757 [0,1,0,1,0,0|2,0,0]=4 9596 B16R1.1133 COC(=O)CCCCCN1CCCCC1C 2230a_100000211376_100009816466 [0,1,0,1,0,0|2,0,0]=4 9597 B16R1.1133 COC(=O)CCCCCN1CCCCC1C 269982a_100000211376_100009816466 [0,1,0,1,0,0|2,0,0]=4 9598 B16R1.1133 COC(=O)CCCCCN1CCCCC1C 34a_100000211376_100009816466 [0,1,0,1,0,0|2,0,0]=4 9599 B16R1.1133 COC(=O)CCCCNC1CCCCC1C 2230a_100000211402_100000204269 [0,1,0,1,0,0|2,0,0]=4 9600 B16R1.1133 COC(=O)CCCCNC1CCCCC1C 34a_100000211402_100000204269 [0,1,0,1,0,0|2,0,0]=4 9601 B16R1.1133 COC(=O)CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000204269 [0,1,0,1,0,0|2,0,0]=4 9602 B16R1.1133 COC(=O)CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000204269 [0,1,0,1,0,0|2,0,0]=4 9603 B16R1.1133 COC(=O)CCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000204269 [0,1,0,1,0,0|2,0,0]=4 9604 B16R1.1133 COC(=O)CCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000204269 [0,1,0,1,0,0|2,0,0]=4 9605 B16R1.1133 COC(=O)CCCCOC1CCCCC1C 34a_100000211207_100000204269 [0,1,0,1,0,0|2,0,0]=4 9606 B16R1.1133 COC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000204269 [0,1,0,1,0,0|2,0,0]=4 9607 B16R1.1133 COC(=O)CCCCOC1CCCCC1Cl 34a_100000038908_100000204269 [0,1,0,1,0,0|2,0,0]=4 9608 B16R1.1133 COC(=O)CCCCOC1CCCCC1Cl 7a_100000038908_100000204269 [0,1,0,1,0,0|2,0,0]=4 9609 B16R1.1133 COC(=O)CCCCOC1CCCCC1F 34a_100000059025_100015423560 [0,1,0,1,0,0|2,0,0]=4 9610 B16R1.1133 COC(=O)CCCCOC1CCCCC1O 34a_100000059025_100000038908 [0,1,0,1,0,0|1,0,0]=3 9611 B16R1.1133 COC(=O)CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000204269 [0,1,0,1,0,0|2,0,0]=4 9612 B16R1.1133 COC(=O)CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000204269 [0,1,0,1,0,0|2,0,0]=4 9613 B16R1.1133 COC(=O)CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000204269 [0,1,0,1,0,0|2,0,0]=4 9614 B16R1.1133 COC(=O)CCCCSC1CCCCC1F 62a_100000204269_100015423560 [0,1,0,1,0,0|2,0,0]=4 9615 B16R1.1133 COC(=O)CCCCSC1CCCCC1F 62a_100015423560_100000204269 [0,1,0,1,0,0|2,0,0]=4 9616 B16R1.1133 COC(=O)CCCCSC1CCCCC1O 62a_100000038908_100000204269 [0,1,0,1,0,0|1,0,0]=3 9617 B16R1.1133 COC(=O)CCCCSC1CCCCC1O 62a_100000204269_100000038908 [0,1,0,1,0,0|1,0,0]=3 9618 B16R1.1133 COC(=O)CCCNCC1CCCCC1O 34a_100011216029_100000742333 [0,1,0,1,0,0|1,0,0]=3 9619 B16R1.1133 COC(=O)COCCSC1CCCCC1O 62a_100000038908_100000090808 [0,1,0,1,0,0|2,0,0]=4 9620 B16R1.1133 COC(=O)COCCSC1CCCCC1O 62a_100000090808_100000038908 [0,1,0,1,0,0|2,0,0]=4 9621 B16R1.1166 CNC(=O)CCCNCCC1CCCCO1 2230a_100015183643_100000741757 [0,1,0,1,0,0|2,0,0]=4 9622 B16R1.1166 CNC(=O)CCCNCCC1CCCCO1 34a_100015183643_100000741757 [0,1,0,1,0,0|2,0,0]=4 9623 B16R1.1166 COC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100009816466 [0,1,0,1,0,0|2,0,0]=4 9624 B16R1.1166 COC(=O)CCCCCNC1CCCCC1 34a_100000182618_100009816466 [0,1,0,1,0,0|2,0,0]=4 9625 B16R1.1166 COC(=O)CCCCCOC1CCCCC1 34a_100000074720_100000210327 [0,1,0,1,0,0|2,0,0]=4 9626 B16R1.1166 COC(=O)CCCCCOC1CCCCC1 34a_100000210231_100009816466 [0,1,0,1,0,0|2,0,0]=4 9627 B16R1.1166 COC(=O)CCCCCOC1CCCCC1 7a_100000074720_100000210327 [0,1,0,1,0,0|2,0,0]=4 9628 B16R1.1166 COC(=O)CCCCCOC1CCCCC1 7a_100000210231_100009816466 [0,1,0,1,0,0|2,0,0]=4 9629 B16R1.1166 COC(=O)CCCCCOC1CCCCO1 34a_100000033831_100009816466 [0,1,0,1,0,0|1,0,0]=3 9630 B16R1.1166 COC(=O)CCCCCSC1CCCCC1 62a_100000210327_100009816466 [0,1,0,1,0,0|2,0,0]=4 9631 B16R1.1166 COC(=O)CCCCCSC1CCCCC1 62a_100009816466_100000210327 [0,1,0,1,0,0|2,0,0]=4 9632 B16R1.1166 COC(=O)CCCCNCC1CCCCC1 2230a_100000210473_100000204269 [0,1,0,1,0,0|2,0,0]=4 9633 B16R1.1166 COC(=O)CCCCNCC1CCCCC1 34a_100000210473_100000204269 [0,1,0,1,0,0|2,0,0]=4 9634 B16R1.1166 COC(=O)CCCCNCC1CCCCO1 2230a_100000174945_100000204269 [0,1,0,1,0,0|1,0,0]=3 9635 B16R1.1166 COC(=O)CCCCNCC1CCCCO1 34a_100000174945_100000204269 [0,1,0,1,0,0|1,0,0]=3 9636 B16R1.1166 COC(=O)CCCCNC[C@H]1COCCO1 2230a_100010981119_100000204269 [0,1,0,1,0,0|2,0,0]=4 9637 B16R1.1166 COC(=O)CCCCNC[C@H]1COCCO1 34a_100010981119_100000204269 [0,1,0,1,0,0|2,0,0]=4 9638 B16R1.1166 COC(=O)CCCCOCC1CCCCC1 34a_100000059025_100000211423 [0,1,0,1,0,0|2,0,0]=4 9639 B16R1.1166 COC(=O)CCCCOCC1CCCCC1 34a_100000212181_100000204269 [0,1,0,1,0,0|2,0,0]=4 9640 B16R1.1166 COC(=O)CCCCOCC1CCCCC1 7a_100000059025_100000211423 [0,1,0,1,0,0|2,0,0]=4 9641 B16R1.1166 COC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000204269 [0,1,0,1,0,0|2,0,0]=4 9642 B16R1.1166 COC(=O)CCCCOCC1CCCCN1 34a_100000210821_100000204269 [0,1,0,1,0,0|2,0,0]=4 9643 B16R1.1166 COC(=O)CCCCOCC1CCCCO1 34a_100000059025_100000211543 [0,1,0,1,0,0|1,0,0]=3 9644 B16R1.1166 COC(=O)CCCCOCC1CCCCO1 34a_100000211370_100000204269 [0,1,0,1,0,0|1,0,0]=3 9645 B16R1.1166 COC(=O)CCCCOCC1CCCCO1 7a_100000059025_100000211543 [0,1,0,1,0,0|1,0,0]=3 9646 B16R1.1166 COC(=O)CCCCOCC1CCCCO1 7a_100000211370_100000204269 [0,1,0,1,0,0|1,0,0]=3 9647 B16R1.1166 COC(=O)CCCCOC[C@@H]1CNCCO1 34a_100015189573_100000204269 [0,1,0,1,0,0|2,0,0]=4 9648 B16R1.1166 COC(=O)CCCCOC[C@H]1COCCO1 34a_100009875890_100000204269 [0,1,0,1,0,0|2,0,0]=4 9649 B16R1.1166 COC(=O)CCCCSCC1CCCCC1 62a_100000204269_100000211423 [0,1,0,1,0,0|2,0,0]=4 9650 B16R1.1166 COC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000204269 [0,1,0,1,0,0|2,0,0]=4 9651 B16R1.1166 COC(=O)CCCCSCC1CCCCO1 62a_100000204269_100000211543 [0,1,0,1,0,0|1,0,0]=3 9652 B16R1.1166 COC(=O)CCCCSCC1CCCCO1 62a_100000211543_100000204269 [0,1,0,1,0,0|1,0,0]=3 9653 B16R1.1166 COC(=O)CCCNCCC1CCCCC1 2230a_100000738074_100011218270 [0,1,0,1,0,0|2,0,0]=4 9654 B16R1.1166 COC(=O)CCCNCCC1CCCCC1 34a_100000738074_100000742333 [0,1,0,1,0,0|2,0,0]=4 9655 B16R1.1166 COC(=O)CCCNCCC1CCCCO1 2230a_100015183643_100011218270 [0,1,0,1,0,0|1,0,0]=3 9656 B16R1.1166 COC(=O)CCCNCCC1CCCCO1 34a_100015183643_100000742333 [0,1,0,1,0,0|1,0,0]=3 9657 B16R1.1166 COC(=O)CCCOCCC1CCCCC1 34a_100011217863_100000742333 [0,1,0,1,0,0|2,0,0]=4 9658 B16R1.1166 COC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011218270 [0,1,0,1,0,0|2,0,0]=4 9659 B16R1.1166 COC(=O)CCCOCCC1CCCCN1 34a_100000211664_100000742333 [0,1,0,1,0,0|2,0,0]=4 9660 B16R1.1166 COC(=O)CCCSCCC1CCCCC1 62a_100011218270_100012355289 [0,1,0,1,0,0|2,0,0]=4 9661 B16R1.1166 COC(=O)CCCSCCC1CCCCC1 62a_100012355289_100011218270 [0,1,0,1,0,0|2,0,0]=4 9662 B16R1.1166 COC(=O)CCCSCCC1OCCCO1 62a_100000764188_100011218270 [0,1,0,1,0,0|2,0,0]=4 9663 B16R1.1166 COC(=O)CCCSCCC1OCCCO1 62a_100011218270_100000764188 [0,1,0,1,0,0|2,0,0]=4 9664 B16R1.1166 COC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000204255 [0,1,0,1,0,0|2,0,0]=4 9665 B16R1.1166 COC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000742370 [0,1,0,1,0,0|2,0,0]=4 9666 B16R1.1166 COC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000742370 [0,1,0,1,0,0|2,0,0]=4 9667 B16R1.1166 COC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000204255 [0,1,0,1,0,0|2,0,0]=4 9668 B16R1.1166 COC(=O)CCOCCCC1CCCCN1 34a_100011934581_100000742370 [0,1,0,1,0,0|2,0,0]=4 9669 B16R1.1166 COC(=O)CCOCCOC1CCCCO1 34a_100000034223_100000742370 [0,1,0,1,0,0|2,0,0]=4 9670 B16R1.1166 COC(=O)CCOCCOC1CCCCO1 7a_100000034223_100000204255 [0,1,0,1,0,0|2,0,0]=4 9671 B16R1.1166 COC(=O)CCSCCCC1CCCCC1 62a_100000204255_100011713725 [0,1,0,1,0,0|2,0,0]=4 9672 B16R1.1166 COC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000204255 [0,1,0,1,0,0|2,0,0]=4 9673 B16R1.1166 COC(=O)CCSCCOC1CCCCO1 62a_100000204255_100000744793 [0,1,0,1,0,0|2,0,0]=4 9674 B16R1.1166 COC(=O)CCSCCOC1CCCCO1 62a_100000744793_100000204255 [0,1,0,1,0,0|2,0,0]=4 9675 B16R1.1166 COC(=O)COCCCCC1CCCCC1 34a_100011215267_100000747449 [0,1,0,1,0,0|2,0,0]=4 9676 B16R1.1166 COC(=O)COCCCCC1CCCCC1 7a_100011215267_100000747449 [0,1,0,1,0,0|2,0,0]=4 9677 B16R1.1166 COC(=O)COCCNCC1CCCCO1 2230a_100000174945_100000090808 [0,1,0,1,0,0|2,0,0]=4 9678 B16R1.1166 COC(=O)COCCNCC1CCCCO1 34a_100000174945_100000090808 [0,1,0,1,0,0|2,0,0]=4 9679 B16R1.1166 COC(=O)COCCOCC1CCCCO1 34a_100000211370_100000090808 [0,1,0,1,0,0|2,0,0]=4 9680 B16R1.1166 COC(=O)COCCOCC1CCCCO1 7a_100000211370_100000090808 [0,1,0,1,0,0|2,0,0]=4 9681 B16R1.1166 COC(=O)COCCSCC1CCCCO1 62a_100000090808_100000211543 [0,1,0,1,0,0|2,0,0]=4 9682 B16R1.1166 COC(=O)COCCSCC1CCCCO1 62a_100000211543_100000090808 [0,1,0,1,0,0|2,0,0]=4 9683 B16R1.1166 COC(=O)CSCCCOC1CCCCO1 62a_100000700653_100000747449 [0,1,0,1,0,0|2,0,0]=4 9684 B16R1.1166 COC(=O)CSCCCOC1CCCCO1 62a_100000747449_100000700653 [0,1,0,1,0,0|2,0,0]=4 9685 B16R1.1353 CCC1CCCN1CCCCCC(=O)OC 2230a_100000754278_100009816466 [0,1,0,1,0,0|2,0,0]=4 9686 B16R1.1353 CCC1CCCN1CCCCCC(=O)OC 269982a_100000754278_100009816466 [0,1,0,1,0,0|2,0,0]=4 9687 B16R1.1353 CCC1CCCN1CCCCCC(=O)OC 34a_100000754278_100009816466 [0,1,0,1,0,0|2,0,0]=4 9688 B16R1.1353 COC(=O)CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009816466 [0,1,0,1,0,0|1,0,0]=3 9689 B16R1.1353 COC(=O)CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009816466 [0,1,0,1,0,0|1,0,0]=3 9690 B16R1.1353 COC(=O)CCCCCN1CCC[C@@H]1CO 34a_100000745186_100009816466 [0,1,0,1,0,0|1,0,0]=3 9691 B16R1.1426 COC(=O)CC1COCCN1CCCCO 2230a_100000731486_100000210776 [0,1,0,1,0,0|2,0,0]=4 9692 B16R1.1426 COC(=O)CC1COCCN1CCCCO 34a_100000731486_100011216708 [0,1,0,1,0,0|2,0,0]=4 9693 B16R1.3257 COC(=O)CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100010004213 [0,1,0,1,0,0|2,0,0]=4 9694 B16R1.3257 COC(=O)CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100010004213 [0,1,0,1,0,0|2,0,0]=4 9695 B16R1.3257 COC(=O)CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100010004213 [0,1,0,1,0,0|2,0,0]=4 9696 B16R1.3257 COC(=O)CCCCCCOCC1CC1C 34a_100000744939_100009815986 [0,1,0,1,0,0|2,0,0]=4 9697 B16R1.3257 COC(=O)CCCCCCOCC1CC1C 7a_100000744939_100009815986 [0,1,0,1,0,0|2,0,0]=4 9698 B16R1.3258 COC(=O)CCCCCCCCN1CCC1 269982a_100000754969_100010282707 [0,1,0,1,0,0|2,0,0]=4 9699 B16R1.3258 COC(=O)CCCCCCCNC1CCC1 2230a_100000749019_100010004213 [0,1,0,1,0,0|2,0,0]=4 9700 B16R1.3258 COC(=O)CCCCCCCNC1CCC1 34a_100000749019_100010004213 [0,1,0,1,0,0|2,0,0]=4 9701 B16R1.3258 COC(=O)CCCCCCCOC1CCC1 34a_100000748187_100010004213 [0,1,0,1,0,0|2,0,0]=4 9702 B16R1.3258 COC(=O)CCCCCCCOC1CCC1 34a_100011022521_100000749161 [0,1,0,1,0,0|2,0,0]=4 9703 B16R1.3258 COC(=O)CCCCCCCSC1CCC1 62a_100010004213_100000749161 [0,1,0,1,0,0|2,0,0]=4 9704 B16R1.3258 COC(=O)CCCCCCNCC1CCC1 2230a_100000738700_100009815986 [0,1,0,1,0,0|2,0,0]=4 9705 B16R1.3258 COC(=O)CCCCCCNCC1CCC1 34a_100000738700_100009815986 [0,1,0,1,0,0|2,0,0]=4 9706 B16R1.3258 COC(=O)CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100009815986 [0,1,0,1,0,0|1,0,0]=3 9707 B16R1.3258 COC(=O)CCCCCCNC[C@@H]1CCO1 34a_100020831831_100009815986 [0,1,0,1,0,0|1,0,0]=3 9708 B16R1.3258 COC(=O)CCCCCCOCC1CCC1 34a_100000760304_100009815986 [0,1,0,1,0,0|2,0,0]=4 9709 B16R1.3258 COC(=O)CCCCCCOCC1CCC1 34a_100009863599_100000763275 [0,1,0,1,0,0|2,0,0]=4 9710 B16R1.3258 COC(=O)CCCCCCOCC1CCC1 7a_100009863599_100000763275 [0,1,0,1,0,0|2,0,0]=4 9711 B16R1.3258 COC(=O)CCCCCCOCC1CCO1 34a_100000039022_100009815986 [0,1,0,1,0,0|1,0,0]=3 9712 B16R1.3258 COC(=O)CCCCCCOCC1CCO1 34a_100009863599_100000103362 [0,1,0,1,0,0|1,0,0]=3 9713 B16R1.3258 COC(=O)CCCCCCOCC1CCO1 7a_100009863599_100000103362 [0,1,0,1,0,0|1,0,0]=3 9714 B16R1.3258 COC(=O)CCCCCCSCC1CCC1 62a_100000763275_100009815986 [0,1,0,1,0,0|2,0,0]=4 9715 B16R1.3258 COC(=O)CCCCCCSCC1CCC1 62a_100009815986_100000763275 [0,1,0,1,0,0|2,0,0]=4 9716 B16R1.3258 COC(=O)CCCCCCSCC1CCO1 62a_100000103362_100009815986 [0,1,0,1,0,0|1,0,0]=3 9717 B16R1.3258 COC(=O)CCCCCCSCC1CCO1 62a_100009815986_100000103362 [0,1,0,1,0,0|1,0,0]=3 9718 B16R1.3907 CCCCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210681 [0,1,0,1,0,0|2,0,0]=4 9719 B16R1.3907 CCCCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210681 [0,1,0,1,0,0|2,0,0]=4 9720 B16R1.3907 CCCCCCOC1CCCC1C(=O)OC 34a_200000081814_100000210314 [0,1,0,1,0,0|2,0,0]=4 9721 B16R1.3907 CCCCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210314 [0,1,0,1,0,0|2,0,0]=4 9722 B16R1.3907 CNC(=O)[C@@H]1CCCN1CCCCCCO 2230a_100015185040_100000766143 [0,1,0,1,0,0|2,0,0]=4 9723 B16R1.3907 CNC(=O)[C@@H]1CCCN1CCCCCCO 269982a_100015185040_100000766143 [0,1,0,1,0,0|2,0,0]=4 9724 B16R1.3907 CNC(=O)[C@@H]1CCCN1CCCCCCO 34a_100015185040_100000766143 [0,1,0,1,0,0|2,0,0]=4 9725 B16R1.3907 COC(=O)C1CCCC1OCCCCCF 34a_200000081814_100000729378 [0,1,0,1,0,0|2,0,0]=4 9726 B16R1.3907 COC(=O)C1CCCC1OCCCCCF 7a_200000081814_100000729378 [0,1,0,1,0,0|2,0,0]=4 9727 B16R1.3907 COC(=O)C1CCCC1OCCCCCO 34a_200000081814_100000746330 [0,1,0,1,0,0|1,0,0]=3 9728 B16R1.3907 COC(=O)C1CCCC1OCCCCCO 7a_200000081814_100000746330 [0,1,0,1,0,0|1,0,0]=3 9729 B16R1.3907 COC(=O)C1CCCC1OCCOCCO 34a_200000081814_100000692535 [0,1,0,1,0,0|2,0,0]=4 9730 B16R1.3907 COC(=O)C1CCCC1OCCOCCO 7a_200000081814_100011215305 [0,1,0,1,0,0|2,0,0]=4 9731 B16R1.3907 COC(=O)C1CSCN1CCCCCCO 269982a_200000724679_100000766143 [0,1,0,1,0,0|2,0,0]=4 9732 B16R1.3907 COC(=O)C1SCCN1CCCCCCO 2230a_100015296106_100000766143 [0,1,0,1,0,0|2,0,0]=4 9733 B16R1.3907 COC(=O)C1SCCN1CCCCCCO 269982a_100015296106_100000766143 [0,1,0,1,0,0|2,0,0]=4 9734 B16R1.3907 COC(=O)[C@@H]1CCCN1CCCCCCF 2230a_100000752040_100015922095 [0,1,0,1,0,0|2,0,0]=4 9735 B16R1.3907 COC(=O)[C@@H]1CCCN1CCCCCCF 269982a_100000752040_100015922095 [0,1,0,1,0,0|2,0,0]=4 9736 B16R1.3907 COC(=O)[C@@H]1CCCN1CCCCCCO 2230a_100000752040_100000766143 [0,1,0,1,0,0|1,0,0]=3 9737 B16R1.3907 COC(=O)[C@@H]1CCCN1CCCCCCO 269982a_100000752040_100000766143 [0,1,0,1,0,0|1,0,0]=3 9738 B16R1.3910 CCC1CCCCC1OCCCC(=O)OC 34a_100000210738_100000742333 [0,1,0,1,0,0|2,0,0]=4 9739 B16R1.3910 CCC1CCCCC1OCCCC(=O)OC 7a_100000210738_100011218270 [0,1,0,1,0,0|2,0,0]=4 9740 B16R1.3910 CCC1CCCCN1CCCCC(=O)OC 2230a_100000210034_100000204269 [0,1,0,1,0,0|2,0,0]=4 9741 B16R1.3910 CCC1CCCCN1CCCCC(=O)OC 269982a_100000210034_100000204269 [0,1,0,1,0,0|2,0,0]=4 9742 B16R1.3910 CCC1CCCCN1CCCCC(=O)OC 34a_100000210034_100000204269 [0,1,0,1,0,0|2,0,0]=4 9743 B16R1.3910 CNC(=O)CCCNC1CCCCC1CO 270004a_100000740002_100009861125 [0,1,0,1,0,0|2,0,0]=4 9744 B16R1.3910 COC(=O)CCCCN1CCCCC1CO 2230a_100000210821_100000204269 [0,1,0,1,0,0|1,0,0]=3 9745 B16R1.3910 COC(=O)CCCCN1CCCCC1CO 269982a_100000210821_100000204269 [0,1,0,1,0,0|1,0,0]=3 9746 B16R1.3910 COC(=O)CCCCN1CCCCC1CO 34a_100000210821_100000204269 [0,1,0,1,0,0|1,0,0]=3 9747 B16R1.3910 COC(=O)CCCCN1CCOC[C@H]1CO 2230a_100000717676_100000204269 [0,1,0,1,0,0|2,0,0]=4 9748 B16R1.3910 COC(=O)CCCCN1CCOC[C@H]1CO 269982a_100000717676_100000204269 [0,1,0,1,0,0|2,0,0]=4 9749 B16R1.3910 COC(=O)CCCCN1CCOC[C@H]1CO 34a_100000717676_100000204269 [0,1,0,1,0,0|2,0,0]=4 9750 B16R1.3910 COC(=O)CCCNC1CCOCC1CO 2230a_214813039666_100011218270 [0,1,0,1,0,0|2,0,0]=4 9751 B16R1.3910 COC(=O)CCCNC1CCOCC1CO 34a_214813039666_100000742333 [0,1,0,1,0,0|2,0,0]=4 9752 B16R1.3910 COC(=O)CCCOC1CCCCC1CN 34a_100011216029_100000742333 [0,1,0,1,0,0|2,0,0]=4 9753 B16R1.3910 COC(=O)CNCCN1CCCCC1CO 2230a_100011473795_100000747449 [0,1,0,1,0,0|2,0,0]=4 9754 B16R1.3910 COC(=O)CNCCN1CCCCC1CO 34a_100011473795_100000747449 [0,1,0,1,0,0|2,0,0]=4 9755 B16R1.3910 COC(=O)COCCN1CCCCC1CO 2230a_100000210821_100000090808 [0,1,0,1,0,0|2,0,0]=4 9756 B16R1.3910 COC(=O)COCCN1CCCCC1CO 34a_100000210821_100000090808 [0,1,0,1,0,0|2,0,0]=4 9757 B16R1.3910 O=C(CO)NCCCN1CCCCC1CO 240690a_200011473794_100000210174 [0,1,0,1,0,0|2,0,0]=4 9758 B16R1.6688 O=C1CCC1CCNCCCCCCCO 2230a_100011996573_200016118888 [0,1,0,1,0,0|2,0,0]=4 9759 B16R1.6688 O=C1CCC1CCSCCCCCCCO 62a_100000760002_200016118888 [0,1,0,1,0,0|2,0,0]=4 9760 B16R1.6688 O=C1CCC1CCSCCCCCCCO 62a_200016118888_100000760002 [0,1,0,1,0,0|2,0,0]=4 9761 B16R1.6688 O=C1CCC1NCCCCCCCCCO 34a_100000078944_100009892977 [0,1,0,1,0,0|2,0,0]=4 9762 B16R1.6688 O=C1CCC1SCCCCCCCCCO 62a_100009813782_100009892977 [0,1,0,1,0,0|2,0,0]=4 9763 B16R1.6688 O=C1CCC1SCCCCCCCCCO 62a_100009892977_100009813782 [0,1,0,1,0,0|2,0,0]=4 9764 B16R1.12872 CCCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210759 [0,1,0,1,0,0|2,0,0]=4 9765 B16R1.12872 CCCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210759 [0,1,0,1,0,0|2,0,0]=4 9766 B16R1.12872 COC(=O)[C@@H]1CCN1CCCCCCCO 2230a_102516456887_100000760002 [0,1,0,1,0,0|1,0,0]=3 9767 B16R1.12872 COC(=O)[C@@H]1CCN1CCCCCCCO 269982a_102516456887_100000760002 [0,1,0,1,0,0|1,0,0]=3 9768 B16R1.16747 COC(=O)CCCCCCCCNC1CC1 34a_100000212008_100010282707 [0,1,0,1,0,0|2,0,0]=4 9769 B16R1.16747 COC(=O)CCCCCCCCOC1CC1 34a_100000035544_100000211595 [0,1,0,1,0,0|2,0,0]=4 9770 B16R1.16747 COC(=O)CCCCCCCCSC1CC1 62a_100010282707_100000211595 [0,1,0,1,0,0|2,0,0]=4 9771 B16R1.16747 COC(=O)CCCCCCCNCC1CC1 2230a_100000735609_100010004213 [0,1,0,1,0,0|2,0,0]=4 9772 B16R1.16747 COC(=O)CCCCCCCNCC1CC1 34a_100000735609_100010004213 [0,1,0,1,0,0|2,0,0]=4 9773 B16R1.16747 COC(=O)CCCCCCCOCC1CC1 34a_100000211283_100010004213 [0,1,0,1,0,0|2,0,0]=4 9774 B16R1.16747 COC(=O)CCCCCCCOCC1CC1 34a_100011022521_100000742324 [0,1,0,1,0,0|2,0,0]=4 9775 B16R1.16747 COC(=O)CCCCCCCOCC1CC1 7a_100011022521_100000742324 [0,1,0,1,0,0|2,0,0]=4 9776 B16R1.16747 COC(=O)CCCCCCCOCC1CO1 34a_100011022521_102125554688 [0,1,0,1,0,0|1,0,0]=3 9777 B16R1.16747 COC(=O)CCCCCCCOCC1CO1 7a_100011022521_102125554688 [0,1,0,1,0,0|1,0,0]=3 9778 B16R1.16747 COC(=O)CCCCCCCOCC1CS1 7a_100011022521_100000031435 [0,1,0,1,0,0|1,1,0]=4 9779 B16R1.16747 COC(=O)CCCCCCCOC[C@@H]1CO1 34a_100000757423_100010004213 [0,1,0,1,0,0|1,0,0]=3 9780 B16R1.16747 COC(=O)CCCCCCCOC[C@@H]1CO1 7a_100011022521_100000745022 [0,1,0,1,0,0|1,0,0]=3 9781 B16R1.16747 COC(=O)CCCCCCCSCC1CC1 62a_100000756562_100010004213 [0,1,0,1,0,0|2,0,0]=4 9782 B16R1.16747 COC(=O)CCCCCCCSCC1CC1 62a_100010004213_100000742324 [0,1,0,1,0,0|2,0,0]=4 9783 B16R1.16747 COC(=O)CCCCCCCSCC1CO1 62a_100010004213_102125554688 [0,1,0,1,0,0|1,0,0]=3 9784 B16R1.16747 COC(=O)CCCCCCCSCC1CO1 62a_102125554688_100010004213 [0,1,0,1,0,0|1,0,0]=3 9785 B16R1.16747 COC(=O)CCCCCCCSCC1CS1 62a_100000031435_100010004213 [0,1,0,1,0,0|1,1,0]=4 9786 B16R1.16747 COC(=O)CCCCCCCSCC1CS1 62a_100010004213_100000031435 [0,1,0,1,0,0|1,1,0]=4 9787 B16R1.16747 COC(=O)CCCCCCCSC[C@@H]1CO1 62a_100000745022_100010004213 [0,1,0,1,0,0|1,0,0]=3 9788 B16R1.16747 COC(=O)CCCCCCCSC[C@@H]1CO1 62a_100010004213_100000745022 [0,1,0,1,0,0|1,0,0]=3 9789 B16R1.16747 COC(=O)CCCCCCNCCC1CC1 34a_100000764129_100009815986 [0,1,0,1,0,0|2,0,0]=4 9790 B16R1.16747 COC(=O)CCCCCCOCCC1CC1 34a_100000754188_100009815986 [0,1,0,1,0,0|2,0,0]=4 9791 B16R1.16747 COC(=O)CCCCCCOCCC1CC1 34a_100009863599_100000694398 [0,1,0,1,0,0|2,0,0]=4 9792 B16R1.16747 COC(=O)CCCCCCOCCC1CC1 7a_100000754188_100009815986 [0,1,0,1,0,0|2,0,0]=4 9793 B16R1.16747 COC(=O)CCCCCCOCCC1CC1 7a_100009863599_100000764125 [0,1,0,1,0,0|2,0,0]=4 9794 B16R1.16747 COC(=O)CCCCCCOCCC1CO1 34a_100009863599_100000732470 [0,1,0,1,0,0|1,0,0]=3 9795 B16R1.16747 COC(=O)CCCCCCOCCC1CO1 7a_100009863599_100000732470 [0,1,0,1,0,0|1,0,0]=3 9796 B16R1.16747 COC(=O)CCCCCCOCC[C@@H]1CO1 34a_100009820653_100009815986 [0,1,0,1,0,0|1,0,0]=3 9797 B16R1.16747 COC(=O)CCCCCCSCCC1CC1 62a_100000764125_100009815986 [0,1,0,1,0,0|2,0,0]=4 9798 B16R1.16747 COC(=O)CCCCCCSCCC1CC1 62a_100009815986_100000764125 [0,1,0,1,0,0|2,0,0]=4 9799 B16R1.16747 COC(=O)CCCCCCSCCC1CO1 62a_100000732470_100009815986 [0,1,0,1,0,0|1,0,0]=3 9800 B16R1.16747 COC(=O)CCCCCCSCCC1CO1 62a_100009815986_100000732470 [0,1,0,1,0,0|1,0,0]=3 9801 B16R1.16747 COC(=O)CCCCCOCCCC1CO1 34a_100000074720_100000733510 [0,1,0,1,0,0|1,0,0]=3 9802 B16R1.16747 COC(=O)CCCCCOCCCC1CO1 7a_100000074720_100000733510 [0,1,0,1,0,0|1,0,0]=3 9803 B16R1.16747 COC(=O)CCCCCSCCCC1CO1 62a_100000733510_100009816466 [0,1,0,1,0,0|1,0,0]=3 9804 B16R1.16747 COC(=O)CCCCCSCCCC1CO1 62a_100009816466_100000733510 [0,1,0,1,0,0|1,0,0]=3 9805 B16R1.16747 COC(=O)CCOCCCCOCC1CO1 34a_100010889290_100000742370 [0,1,0,1,0,0|2,0,0]=4 9806 B16R1.16747 COC(=O)CCOCCCCOCC1CO1 7a_100010889290_100000204255 [0,1,0,1,0,0|2,0,0]=4 9807 B16R1.16885 COC(=O)CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009815986 [0,1,0,1,0,0|2,0,0]=4 9808 B16R1.16885 COC(=O)CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100009815986 [0,1,0,1,0,0|2,0,0]=4 9809 B16R1.16885 COC(=O)CCCCCCN1CCC[C@H]1C 2230a_100015189458_100009815986 [0,1,0,1,0,0|2,0,0]=4 9810 B16R1.16885 COC(=O)CCCCCCN1CCC[C@H]1C 269982a_100015189458_100009815986 [0,1,0,1,0,0|2,0,0]=4 9811 B16R1.16885 COC(=O)CCCCCCN1CCC[C@H]1C 34a_100015189458_100009815986 [0,1,0,1,0,0|2,0,0]=4 9812 B16R1.16885 COC(=O)CCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100009816466 [0,1,0,1,0,0|2,0,0]=4 9813 B16R1.16885 COC(=O)CCCCCOC1CCCC1C 34a_100011216460_100009816466 [0,1,0,1,0,0|2,0,0]=4 9814 B16R1.16885 COC(=O)CCCCCOC1CCCC1C 7a_100011216460_100009816466 [0,1,0,1,0,0|2,0,0]=4 9815 B16R1.16885 COC(=O)CCCCCOC1COCC1O 34a_100000074720_200000725654 [0,1,0,1,0,0|2,0,0]=4 9816 B16R1.16885 COC(=O)CCCCCOC1COCC1O 7a_100000074720_200000725654 [0,1,0,1,0,0|2,0,0]=4 9817 B16R1.16885 COC(=O)CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009816466 [0,1,0,1,0,0|2,0,0]=4 9818 B16R1.16885 COC(=O)CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009816466 [0,1,0,1,0,0|2,0,0]=4 9819 B16R1.16885 COC(=O)CCCCCSC1COCC1O 62a_100009816466_200000725654 [0,1,0,1,0,0|2,0,0]=4 9820 B16R1.16885 COC(=O)CCCCCSC1COCC1O 62a_200000725654_100009816466 [0,1,0,1,0,0|2,0,0]=4 9821 B16R1.16885 COC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_100009816466_200016002552 [0,1,0,1,0,0|1,0,0]=3 9822 B16R1.16885 COC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009816466 [0,1,0,1,0,0|1,0,0]=3 9823 B16R1.16890 COC(=O)CCCCCCCN1CCC1C 269982a_100000755817_100010004213 [0,1,0,1,0,0|2,0,0]=4 9824 B16R1.16890 COC(=O)CCCCCCCN1CCC1C 34a_100000755817_100010004213 [0,1,0,1,0,0|2,0,0]=4 9825 B16R1.16924 COC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100009816466 [0,1,0,1,0,0|2,0,0]=4 9826 B16R1.16924 COC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100009816466 [0,1,0,1,0,0|2,0,0]=4 9827 B16R1.16924 COC(=O)CCCCCN1CCCCCC1 34a_100000185865_100009816466 [0,1,0,1,0,0|2,0,0]=4 9828 B16R1.16924 COC(=O)CCCCNC1CCCCCC1 2230a_100000210984_100000204269 [0,1,0,1,0,0|2,0,0]=4 9829 B16R1.16924 COC(=O)CCCCNC1CCCCCC1 34a_100000210984_100000204269 [0,1,0,1,0,0|2,0,0]=4 9830 B16R1.16924 COC(=O)CCCCOC1CCCCCC1 34a_100000059025_100011217769 [0,1,0,1,0,0|2,0,0]=4 9831 B16R1.16924 COC(=O)CCCCOC1CCCCCC1 34a_100000210887_100000204269 [0,1,0,1,0,0|2,0,0]=4 9832 B16R1.16924 COC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000204269 [0,1,0,1,0,0|2,0,0]=4 9833 B16R1.16924 COC(=O)CCCCSC1CCCCCC1 62a_100000204269_100011217769 [0,1,0,1,0,0|2,0,0]=4 9834 B16R1.16924 COC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000204269 [0,1,0,1,0,0|2,0,0]=4 9835 B16R1.16924 COC(=O)CCCNCC1CCCCCC1 2230a_100015204231_100011218270 [0,1,0,1,0,0|2,0,0]=4 9836 B16R1.16924 COC(=O)CCCNCC1CCCCCC1 34a_100015204231_100000742333 [0,1,0,1,0,0|2,0,0]=4 9837 B16R1.16924 COC(=O)CCCOCC1CCCCCC1 34a_100000699130_100000742333 [0,1,0,1,0,0|2,0,0]=4 9838 B16R1.16924 COC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011218270 [0,1,0,1,0,0|2,0,0]=4 9839 B16R1.16924 COC(=O)CCCSCC1CCCCCC1 62a_100011218270_200000696569 [0,1,0,1,0,0|2,0,0]=4 9840 B16R1.16924 COC(=O)CCCSCC1CCCCCC1 62a_200000696569_100011218270 [0,1,0,1,0,0|2,0,0]=4 9841 B16R1.16924 COC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000204255 [0,1,0,1,0,0|2,0,0]=4 9842 B16R1.16924 COC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000742370 [0,1,0,1,0,0|2,0,0]=4 9843 B16R1.17553 CCCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100011214924 [0,1,0,1,0,0|2,0,0]=4 9844 B16R1.17553 COC(=O)C1CN1CCCCCCCCO 2230a_200009830135_100000033203 [0,1,0,1,0,0|1,0,0]=3 9845 B16R1.18261 COC(=O)CCCCN1CCCCCCC1 2230a_100000211400_100000204269 [0,1,0,1,0,0|2,0,0]=4 9846 B16R1.18261 COC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000204269 [0,1,0,1,0,0|2,0,0]=4 9847 B16R1.18261 COC(=O)CCCCN1CCCCCCC1 34a_100000211400_100000204269 [0,1,0,1,0,0|2,0,0]=4 9848 B16R1.18261 COC(=O)CCCNC1CCCCCCC1 2230a_100000211152_100011218270 [0,1,0,1,0,0|2,0,0]=4 9849 B16R1.18261 COC(=O)CCCNC1CCCCCCC1 34a_100000211152_100000742333 [0,1,0,1,0,0|2,0,0]=4 9850 B16R1.18261 COC(=O)CCCOC1CCCCCCC1 34a_100000210054_100000742333 [0,1,0,1,0,0|2,0,0]=4 9851 B16R1.18261 COC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011218270 [0,1,0,1,0,0|2,0,0]=4 9852 B16R1.18261 COC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000742370 [0,1,0,1,0,0|2,0,0]=4 9853 B16R1.18261 COC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000204255 [0,1,0,1,0,0|2,0,0]=4 9854 B16R1.18261 COC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747449 [0,1,0,1,0,0|2,0,0]=4 9855 B16R1.18261 COC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000747449 [0,1,0,1,0,0|2,0,0]=4 9856 B16R1.18469 COC(=O)CCCN1CCCCCCCC1 2230a_100000039187_100011218270 [0,1,0,1,0,0|2,0,0]=4 9857 B16R1.18469 COC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100011218270 [0,1,0,1,0,0|2,0,0]=4 9858 B16R1.18469 COC(=O)CCCN1CCCCCCCC1 34a_100000039187_100000742333 [0,1,0,1,0,0|2,0,0]=4 9859 B16R1.4131 CC(CNCCCC1CCCCC1)C(=O)O 269956a_100000749485_100011713725 [0,1,0,1,0,0|2,0,0]=4 9860 B16R1.4131 CC(CNCCOC1CCCCO1)C(=O)O 269956a_100000749485_100000744793 [0,1,0,1,0,0|2,0,0]=4 9861 B16R1.4131 C[C@H](NCCCOC1CCCCO1)C(=O)O 269956a_100000743915_100000700653 [0,1,0,1,0,0|2,0,0]=4 9862 B16R1.4131 O=C(O)C(F)CNCCCC1CCCCC1 269956a_100000084737_100011713725 [0,1,0,1,0,0|2,0,0]=4 9863 B16R1.4131 O=C(O)C(F)CNCCOC1CCCCO1 269956a_100000084737_100000744793 [0,1,0,1,0,0|2,0,0]=4 9864 B16R1.4136 CC(CNCCCCC1OCCO1)C(=O)O 269956a_100000749485_100000034956 [0,1,0,1,0,0|2,0,0]=4 9865 B16R1.4136 O=C(O)C(F)CNCCCCC1OCCO1 269956a_100000084737_100000034956 [0,1,0,1,0,0|2,0,0]=4 9866 B16R1.8528 CC1(CCCCN1CCCCCF)C(=O)O 269956a_100000698061_100000729378 [0,1,0,1,0,0|2,0,0]=4 9867 B16R1.8528 CC1(CCCCN1CCCCCO)C(=O)O 269956a_100000698061_100000746330 [0,1,0,1,0,0|1,0,0]=3 9868 B16R1.8528 CC1(CCCCN1CCOCCO)C(=O)O 269956a_100000698061_100011215305 [0,1,0,1,0,0|2,0,0]=4 9869 B16R1.8528 CCCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210757 [0,1,0,1,0,0|2,0,0]=4 9870 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 9871 B16R1.12877 NC(=O)C1CCN(C1)CCCCCCCO 2230a_100000752358_100000760002 [0,1,0,1,0,0|2,0,0]=4 9872 B16R1.12877 NC(=O)C1CCN(C1)CCCCCCCO 269982a_100000752358_100000760002 [0,1,0,1,0,0|2,0,0]=4 9873 B16R1.12877 NC(=O)C1CCN(C1)CCCCCCCO 34a_100000752358_100000760002 [0,1,0,1,0,0|2,0,0]=4 9874 B16R1.12877 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCCCF 269956a_100015195206_100015922095 [0,1,0,1,0,0|2,0,0]=4 9875 B16R1.12877 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCCCO 269956a_100015195206_100000766143 [0,1,0,1,0,0|1,0,0]=3 9876 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 9877 B16R1.17546 NC(=O)C1CN(C1)CCCCCCCCO 34a_100025753142_100000033203 [0,1,0,1,0,0|2,0,0]=4 9878 B16R1.17546 O=C(O)[C@H]1C[C@H](C1)NCCCCCCCO 269956a_100000738708_100000760002 [0,1,0,1,0,0|1,0,0]=3 9879 B16R1.17793 CCCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210757 [0,1,0,1,0,0|2,0,0]=4 9880 B16R1.17793 NC(=O)C1CCCC(C1)NCCCCCO 2230a_100000749473_100000746330 [0,1,0,1,0,0|2,0,0]=4 9881 B16R1.17793 NC(=O)C1CCCC(C1)NCCCCCO 34a_100000749473_100000746330 [0,1,0,1,0,0|2,0,0]=4 9882 B16R1.17793 NC(=O)C1CCCN(C1)CCCCCCO 2230a_100000195536_100000766143 [0,1,0,1,0,0|2,0,0]=4 9883 B16R1.17793 NC(=O)C1CCCN(C1)CCCCCCO 269982a_100000195536_100000766143 [0,1,0,1,0,0|2,0,0]=4 9884 B16R1.17793 NC(=O)C1CCCN(C1)CCCCCCO 34a_100000195536_100000766143 [0,1,0,1,0,0|2,0,0]=4 9885 B16R1.17793 O=C(O)C1CCCC(C1)NCCCCCF 269956a_100011216634_100000729378 [0,1,0,1,0,0|2,0,0]=4 9886 B16R1.17793 O=C(O)C1CCCC(C1)NCCCCCO 269956a_100011216634_100000746330 [0,1,0,1,0,0|1,0,0]=3 9887 B16R1.17793 O=C(O)C1CCCC(C1)NCCOCCO 269956a_100011216634_100011215305 [0,1,0,1,0,0|2,0,0]=4 9888 B16R1.23446 CCCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210614 [0,1,0,1,0,0|2,0,0]=4 9889 B16R1.23446 C[C@]1(CCCN1CCCCCCF)C(=O)O 269956a_100009816582_100015922095 [0,1,0,1,0,0|2,0,0]=4 9890 B16R1.23446 C[C@]1(CCCN1CCCCCCO)C(=O)O 269956a_100009816582_100000766143 [0,1,0,1,0,0|1,0,0]=3 9891 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 9892 B16R1.1225 CN1CCN(C(C1)C(=O)O)CCCCCO 269956a_100020626280_100000746330 [0,1,0,1,0,0|2,0,0]=4 9893 B16R1.1225 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCCCF 269956a_100009817619_100000729378 [0,1,0,1,0,0|2,0,0]=4 9894 B16R1.1225 C[C@@H]1CCN([C@H](C1)C(=O)O)CCCCCO 269956a_100009817619_100000746330 [0,1,0,1,0,0|1,0,0]=3 9895 B16R1.1225 C[C@@H]1CCN([C@H](C1)C(=O)O)CCOCCO 269956a_100009817619_100011215305 [0,1,0,1,0,0|2,0,0]=4 9896 B16R1.1408 NC(=O)CCC1CCCN(C1)CCCCO 2230a_100011533967_100000210776 [0,1,0,1,0,0|2,0,0]=4 9897 B16R1.1408 NC(=O)CCC1CCCN(C1)CCCCO 269982a_100011533967_100000210776 [0,1,0,1,0,0|2,0,0]=4 9898 B16R1.1408 NC(=O)CCC1CCCN(C1)CCCCO 34a_100011533967_100011216708 [0,1,0,1,0,0|2,0,0]=4 9899 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 9900 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 9901 B16R1.3895 NC(=O)[C@@H]1C[C@@H](CN1CCCCCCO)F 2230a_100020614896_100000766143 [0,1,0,1,0,0|2,0,0]=4 9902 B16R1.3895 NC(=O)[C@@H]1C[C@@H](CN1CCCCCCO)F 269982a_100020614896_100000766143 [0,1,0,1,0,0|2,0,0]=4 9903 B16R1.3895 NC(=O)[C@@H]1C[C@@H](CN1CCCCCCO)F 34a_100020614896_100000766143 [0,1,0,1,0,0|2,0,0]=4 9904 B16R1.3895 NC(=O)[C@@H]1C[C@H](CN1CCCCCCO)O 2230a_100020587027_100000766143 [0,1,0,1,0,0|2,0,0]=4 9905 B16R1.3895 NC(=O)[C@@H]1C[C@H](CN1CCCCCCO)O 269982a_100020587027_100000766143 [0,1,0,1,0,0|2,0,0]=4 9906 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCF)F 269956a_100016993324_100015922095 [0,1,0,1,0,0|2,0,0]=4 9907 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCF)O 269956a_100000750407_100015922095 [0,1,0,1,0,0|2,0,0]=4 9908 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCO)F 269956a_100016993324_100000766143 [0,1,0,1,0,0|1,0,0]=3 9909 B16R1.3895 O=C(O)[C@@H]1C[C@@H](CN1CCCCCCO)O 269956a_100000750407_100000766143 [0,1,0,1,0,0|1,0,0]=3 9910 B16R1.13661 O=C1C[C@H](N1)C(=O)CCCCCCCCO 1458a_100016090685_100000033203 [0,1,0,1,0,0|1,0,1]=4 9911 B16R1.83 NC(=O)CCCCCNC1CCCC(C1)O 2230a_100015190357_100009817443 [0,1,0,1,0,0|2,0,0]=4 9912 B16R1.394 CC(=O)OCCCCCS[C@@H]1CCC[C@H]1O 62a_100000033007_200016002552 [0,1,0,1,0,0|2,0,0]=4 9913 B16R1.394 CC(=O)OCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000033007 [0,1,0,1,0,0|2,0,0]=4 9914 B16R1.394 OB(O)CCCCCCS[C@@H]1CCC[C@H]1O 62a_100009817187_200016002552 [0,1,0,1,0,0|1,0,1]=4 9915 B16R1.394 OB(O)CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009817187 [0,1,0,1,0,0|1,0,1]=4 9916 B16R1.652 NC(=O)CCCCCN1CCC(C1)CCO 2230a_100016987287_100009817443 [0,1,0,1,0,0|2,0,0]=4 9917 B16R1.652 NC(=O)CCCCCN1CCC(C1)CCO 269982a_100016987287_100009817443 [0,1,0,1,0,0|2,0,0]=4 9918 B16R1.652 NC(=O)CCCCCN1CCC(C1)CCO 34a_100016987287_100009817443 [0,1,0,1,0,0|2,0,0]=4 9919 B16R1.674 CC(=O)CCCCN1CCCC(C1)CCO 269982a_100000752241_100000735457 [0,1,0,1,0,0|2,0,0]=4 9920 B16R1.674 CC(=O)CCCCN1CCCC(C1)CCO 34a_100000752241_100009817362 [0,1,0,1,0,0|2,0,0]=4 9921 B16R1.959 CC(CCO)N1CCCCC1CCC(=O)O 269956a_100000694054_100009893172 [0,1,0,1,0,0|1,0,0]=3 9922 B16R1.959 CCCC(C)N1CCCCC1CCC(=O)O 269956a_100000694054_100000766640 [0,1,0,1,0,0|2,0,0]=4 9923 B16R1.1275 CC(=O)CCCCNCCCC1CCCC1 34a_100000736752_100009817362 [0,1,0,1,0,0|2,0,0]=4 9924 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 34a_100011215328_100009817362 [0,1,0,1,0,0|2,0,0]=4 9925 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 7a_100011215328_100000735457 [0,1,0,1,0,0|2,0,0]=4 9926 B16R1.1275 CC(=O)CCCCOCCCC1OCCO1 34a_100009871617_100009817362 [0,1,0,1,0,0|2,0,0]=4 9927 B16R1.1275 CC(=O)CCCCOCCCC1OCCO1 7a_100009871617_100000735457 [0,1,0,1,0,0|2,0,0]=4 9928 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100000735457_100011713738 [0,1,0,1,0,0|2,0,0]=4 9929 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100011713738_100000735457 [0,1,0,1,0,0|2,0,0]=4 9930 B16R1.1275 CC(=O)CCCCSCCCC1OCCO1 62a_100000735457_100000042513 [0,1,0,1,0,0|2,0,0]=4 9931 B16R1.1275 CC(=O)CCCOCCCCC1OCCO1 34a_100000759063_200009813554 [0,1,0,1,0,0|2,0,0]=4 9932 B16R1.1275 CC(=O)CCCOCCCCC1OCCO1 7a_100000759063_100000034956 [0,1,0,1,0,0|2,0,0]=4 9933 B16R1.1275 CC(=O)CCCSCCCCC1OCCO1 62a_100011215641_100000034956 [0,1,0,1,0,0|2,0,0]=4 9934 B16R1.1275 CC(=O)CCOCCCCOC1CCCO1 7a_100011018183_100000053229 [0,1,0,1,0,0|2,0,0]=4 9935 B16R1.1275 CC(=O)NCCCCCNCC1CCCO1 2230a_200012022750_100000203698 [0,1,0,1,0,0|2,0,0]=4 9936 B16R1.1275 CC(=O)OCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009813381 [0,1,0,1,0,0|2,0,0]=4 9937 B16R1.1275 CC(=O)OCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000033007 [0,1,0,1,0,0|2,0,0]=4 9938 B16R1.1275 CC(=O)OCCCCCOCC1CCCO1 34a_100000210270_100000033007 [0,1,0,1,0,0|2,0,0]=4 9939 B16R1.1275 CC(=O)OCCCCCOCC1CCCO1 7a_100000210270_100000033007 [0,1,0,1,0,0|2,0,0]=4 9940 B16R1.1275 CC(=O)OCCCCCSCC1CCCO1 62a_100000033007_100000203698 [0,1,0,1,0,0|2,0,0]=4 9941 B16R1.1275 CC(=O)OCCCCCSCC1CCCO1 62a_100000203698_100000033007 [0,1,0,1,0,0|2,0,0]=4 9942 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 2230a_100000739158_100009817443 [0,1,0,1,0,0|2,0,0]=4 9943 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 34a_100000739158_100009817443 [0,1,0,1,0,0|2,0,0]=4 9944 B16R1.1275 NC(=O)CCCCCNCCC1OCCO1 2230a_100000034215_100009817443 [0,1,0,1,0,0|2,0,0]=4 9945 B16R1.1275 NC(=O)CCCCCNCCC1OCCO1 34a_100000034215_100009817443 [0,1,0,1,0,0|2,0,0]=4 9946 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000123541_100000760354 [0,1,0,1,0,0|2,0,0]=4 9947 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000749090_100009817443 [0,1,0,1,0,0|2,0,0]=4 9948 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000123541_100000760354 [0,1,0,1,0,0|2,0,0]=4 9949 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000749090_100009817443 [0,1,0,1,0,0|2,0,0]=4 9950 B16R1.1275 NC(=O)CCCCCOCCC1CCOC1 34a_100011879284_100009817443 [0,1,0,1,0,0|2,0,0]=4 9951 B16R1.1275 NC(=O)CCCCCOCCC1OCCO1 34a_100000123541_100000740749 [0,1,0,1,0,0|2,0,0]=4 9952 B16R1.1275 NC(=O)CCCCCOCCC1OCCO1 7a_100000123541_100000740749 [0,1,0,1,0,0|2,0,0]=4 9953 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100000760354_100009817443 [0,1,0,1,0,0|2,0,0]=4 9954 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100009817443_100000760354 [0,1,0,1,0,0|2,0,0]=4 9955 B16R1.1275 NC(=O)CCCCCSCCC1OCCO1 62a_100009817443_100000740749 [0,1,0,1,0,0|2,0,0]=4 9956 B16R1.1275 NC(=O)CCCCNCCCC1CCCC1 34a_100000696515_100011713738 [0,1,0,1,0,0|2,0,0]=4 9957 B16R1.1275 NC(=O)CCCCNCCCC1OCCO1 34a_100000696515_100009861162 [0,1,0,1,0,0|2,0,0]=4 9958 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 34a_100012022536_100011713738 [0,1,0,1,0,0|2,0,0]=4 9959 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 7a_100012022536_100011713738 [0,1,0,1,0,0|2,0,0]=4 9960 B16R1.1275 NC(=O)CCCCOCCCC1OCCO1 34a_100012022536_100009861162 [0,1,0,1,0,0|2,0,0]=4 9961 B16R1.1275 NC(=O)CCCCOCCCC1OCCO1 7a_100012022536_100000042513 [0,1,0,1,0,0|2,0,0]=4 9962 B16R1.1275 NC(=O)CCCNCCCCC1OCCO1 34a_100000739312_200009813554 [0,1,0,1,0,0|2,0,0]=4 9963 B16R1.1275 NC(=O)CCCSCCCCC1OCCO1 62a_100102525003_100000034956 [0,1,0,1,0,0|2,0,0]=4 9964 B16R1.1275 NC(=O)CCOCCCCOC1CCCO1 34a_100011018183_100000731001 [0,1,0,1,0,0|2,0,0]=4 9965 B16R1.1275 NC(=O)CCOCCCCOC1CCCO1 7a_100011018183_100000744528 [0,1,0,1,0,0|2,0,0]=4 9966 B16R1.1275 O=C(O)COCCNCCCC1CCCC1 269956a_100000700818_100011713738 [0,1,0,1,0,0|2,0,0]=4 9967 B16R1.1275 O=C(O)COCCNCCCC1OCCO1 269956a_100000700818_100000042513 [0,1,0,1,0,0|2,0,0]=4 9968 B16R1.1275 O=C([O-])CCCCCOCCC1CCCC1 7a_100102619762_100000760354 [0,1,0,1,0,0|1,0,1]=4 9969 B16R1.1275 O=C([O-])CCCCCOCCC1OCCO1 7a_100102619762_100000740749 [0,1,0,1,0,0|1,0,1]=4 9970 B16R1.1275 OB(O)CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009817187 [0,1,0,1,0,0|1,0,1]=4 9971 B16R1.1275 OB(O)CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100009817187 [0,1,0,1,0,0|1,0,1]=4 9972 B16R1.1275 OB(O)CCCCCCOCC1CCCO1 34a_100000210270_100009817187 [0,1,0,1,0,0|1,0,1]=4 9973 B16R1.1275 OB(O)CCCCCCOCC1CCCO1 7a_100000210270_100009817187 [0,1,0,1,0,0|1,0,1]=4 9974 B16R1.1275 OB(O)CCCCCCSCC1CCCO1 62a_100000203698_100009817187 [0,1,0,1,0,0|1,0,1]=4 9975 B16R1.1275 OB(O)CCCCCCSCC1CCCO1 62a_100009817187_100000203698 [0,1,0,1,0,0|1,0,1]=4 9976 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 9977 B16R1.14998 CCCC(C)CN1CCCCCC1C(=O)O 269956a_100000758484_100011216630 [0,1,0,1,0,0|2,0,0]=4 9978 B16R1.92 O=C1CCC[C@@H](N1)C(=O)CCCCCCO 1458a_100000705292_100000766143 [0,1,0,1,0,0|1,0,1]=4 9979 B16R1.610 CC(=O)CCCCC(=O)CC1CCCCO1 1458a_100000238585_100000735457 [0,1,0,1,0,0|1,0,1]=4 9980 B16R1.610 CC(=O)CCCCN(C)CC1CCCCO1 269982a_100000225654_100000735457 [0,1,0,1,0,0|2,0,0]=4 9981 B16R1.610 CC(=O)CCCCN(C)CC1CCCCO1 34a_100000225654_100009817362 [0,1,0,1,0,0|2,0,0]=4 9982 B16R1.692 O=C(CCCCCCO)CC1CCC(=O)N1 1458a_100000026770_100000766143 [0,1,0,1,0,0|1,0,1]=4 9983 B16R1.692 O=C(CCCCCCO)CC1CNC(=O)O1 1458a_100011996774_100000181169 [0,1,0,1,0,0|1,0,1]=4 9984 B16R1.692 O=C(CCCCCCO)CC1COC(=O)O1 1458a_100011996774_100000073702 [0,1,0,1,0,0|1,0,1]=4 9985 B16R1.692 O=C(CCCCCCO)C[C@@H]1CCC(=O)N1 1458a_100011996774_100015189358 [0,1,0,1,0,0|1,0,1]=4 9986 B16R1.1291 CC(=O)CCCCC(=O)CCC1CCCO1 1458a_100011247709_100000735457 [0,1,0,1,0,0|1,0,1]=4 9987 B16R1.10817 CC(=O)CCCCC(=O)C1CCCCC1O 1458a_100011803323_100000735457 [0,1,0,1,0,0|1,0,1]=4 9988 B16R1.10817 CC(=O)CCCCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000735457 [0,1,0,1,0,0|2,0,0]=4 9989 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 269982a_100000039187_100000735457 [0,1,0,1,0,0|2,0,0]=4 9990 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 34a_100000039187_100009817362 [0,1,0,1,0,0|2,0,0]=4 9991 B16R1.12677 CC1CCCC(N1CCCCCF)C(=O)O 269956a_100000704260_100000729378 [0,1,0,1,0,0|2,0,0]=4 9992 B16R1.12677 CC1CCCC(N1CCCCCO)C(=O)O 269956a_100000704260_100000746330 [0,1,0,1,0,0|1,0,0]=3 9993 B16R1.12677 CC1CCCC(N1CCOCCO)C(=O)O 269956a_100000704260_100011215305 [0,1,0,1,0,0|2,0,0]=4 9994 B16R1.12677 CCCCCCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210757 [0,1,0,1,0,0|2,0,0]=4 9995 B16R1.40712 CCCCCCCC(C)N1CCC1C(=O)O 269956a_100000021838_200011218727 [0,1,0,1,0,0|2,0,0]=4 9996 B16R1.27 CC1=CC(CCC1)OCCCCCCCO 34a_100011218613_100000760002 [0,1,0,1,0,0|2,0,0]=4 9997 B16R1.27 CCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210759 [0,1,0,1,0,0|2,0,0]=4 9998 B16R1.27 CCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210614 [0,1,0,1,0,0|2,0,0]=4 9999 B16R1.27 COCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011998445 [0,1,0,1,0,0|2,0,0]=4 10000 B16R1.27 O=C1CC(CCN1)COCCCCCCO 34a_100009886756_100000766143 [0,1,0,1,0,0|2,0,0]=4 10001 B16R1.27 O=C1CC(CCN1)NCCCCCCCO 2230a_100016994916_100000760002 [0,1,0,1,0,0|2,0,0]=4 10002 B16R1.27 O=C1CC(CCN1)NCCCCCCCO 34a_100016994916_100000760002 [0,1,0,1,0,0|2,0,0]=4 10003 B16R1.27 O=C1CCCC(C1)OCCCCCCCO 34a_100012613340_100000760002 [0,1,0,1,0,0|1,0,0]=3 10004 B16R1.27 O=C1CCCC(N1)COCCCCCCF 34a_200000102386_100015922095 [0,1,0,1,0,0|2,0,0]=4 10005 B16R1.27 O=C1CCCC(N1)COCCCCCCO 34a_200000102386_100000766143 [0,1,0,1,0,0|1,0,0]=3 10006 B16R1.27 O=C1CN(CCN1)CCCCCCCCO 2230a_100000184651_100000033203 [0,1,0,1,0,0|2,0,0]=4 10007 B16R1.27 O=C1CN(CCO1)CCCCCCCCO 2230a_100000131268_100000033203 [0,1,0,1,0,0|2,0,0]=4 10008 B16R1.27 O=C1COCC(N1)COCCCCCCO 34a_200000101122_100000766143 [0,1,0,1,0,0|2,0,0]=4 10009 B16R1.27 O=C1C[C@@H](CCN1)OCCCCCCCO 34a_100015189427_100000760002 [0,1,0,1,0,0|2,0,0]=4 10010 B16R1.27 OCCCCCCCCN1CCCC(C1)O 2230a_100000211013_100000033203 [0,1,0,1,0,0|1,0,1]=4 10011 B16R1.27 OCCCCCCCCN1CCCC(C1)O 269982a_100000211013_100000033203 [0,1,0,1,0,0|1,0,1]=4 10012 B16R1.27 OCCCCCCCNC1CCCC(C1)O 2230a_100015190357_100000760002 [0,1,0,1,0,0|1,0,1]=4 10013 B16R1.27 OCCCCCCCNC1CCCC(C1)O 270004a_100011996573_100012613340 [0,1,0,1,0,0|1,0,1]=4 10014 B16R1.27 OCCCCCCNCC1CCCC(C1)O 2230a_100011254705_100000766143 [0,1,0,1,0,0|1,0,1]=4 10015 B16R1.57 CC(=O)CCCCNC1CCOCC1CO 34a_214813039666_100009817362 [0,1,0,1,0,0|2,0,0]=4 10016 B16R1.57 CC(=O)CCCCOC1CCCCC1CN 34a_100011216029_100009817362 [0,1,0,1,0,0|2,0,0]=4 10017 B16R1.57 CC(=O)NCCCNC1CCCCC1CO 270004a_100000736810_100009861125 [0,1,0,1,0,0|2,0,0]=4 10018 B16R1.57 CC(=O)OCCCCN1CCCCC1CO 269982a_100000210821_100000033659 [0,1,0,1,0,0|2,0,0]=4 10019 B16R1.57 CC(=O)OCCCCN1CCCCC1CO 34a_100000210821_100000033659 [0,1,0,1,0,0|2,0,0]=4 10020 B16R1.57 CC(=O)SCCCCN1CCCCC1CO 2230a_100000210821_200010402107 [0,1,0,1,0,0|2,0,0]=4 10021 B16R1.57 CC(=O)SCCCCN1CCCCC1CO 269982a_100000210821_200010402107 [0,1,0,1,0,0|2,0,0]=4 10022 B16R1.57 CC(=O)SCCCCN1CCCCC1CO 34a_100000210821_200010402107 [0,1,0,1,0,0|2,0,0]=4 10023 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000757040 [0,1,0,1,0,0|2,0,0]=4 10024 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000757040 [0,1,0,1,0,0|2,0,0]=4 10025 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 34a_100000210738_100009817362 [0,1,0,1,0,0|2,0,0]=4 10026 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 7a_100000210738_100000735457 [0,1,0,1,0,0|2,0,0]=4 10027 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 2230a_100000210034_100009817443 [0,1,0,1,0,0|2,0,0]=4 10028 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 269982a_100000210034_100009817443 [0,1,0,1,0,0|2,0,0]=4 10029 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 34a_100000210034_100009817443 [0,1,0,1,0,0|2,0,0]=4 10030 B16R1.57 COC1CCCCC1NCCCCC(=O)C 34a_100011208099_100009817362 [0,1,0,1,0,0|2,0,0]=4 10031 B16R1.57 COC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000740605 [0,1,0,1,0,0|2,0,0]=4 10032 B16R1.57 CO[C@H]1CCCC[C@@H]1OCCCCC(=O)C 34a_200009815850_100009817362 [0,1,0,1,0,0|2,0,0]=4 10033 B16R1.57 CO[C@H]1CCCC[C@@H]1OCCCCC(=O)C 7a_200009815850_100000735457 [0,1,0,1,0,0|2,0,0]=4 10034 B16R1.57 NC(=O)CCCCCN1CCCCC1CO 2230a_100000210821_100009817443 [0,1,0,1,0,0|1,0,0]=3 10035 B16R1.57 NC(=O)CCCCCN1CCCCC1CO 269982a_100000210821_100009817443 [0,1,0,1,0,0|1,0,0]=3 10036 B16R1.57 NC(=O)CCCCCN1CCCCC1CO 34a_100000210821_100009817443 [0,1,0,1,0,0|1,0,0]=3 10037 B16R1.57 NC(=O)CCCCCN1CCOC[C@H]1CO 2230a_100000717676_100009817443 [0,1,0,1,0,0|2,0,0]=4 10038 B16R1.57 NC(=O)CCCCCN1CCOC[C@H]1CO 269982a_100000717676_100009817443 [0,1,0,1,0,0|2,0,0]=4 10039 B16R1.57 NC(=O)CCCCCN1CCOC[C@H]1CO 34a_100000717676_100009817443 [0,1,0,1,0,0|2,0,0]=4 10040 B16R1.57 NC(=O)CCCCNC1CCCCC1CO 270004a_100000696515_100009861125 [0,1,0,1,0,0|1,0,0]=3 10041 B16R1.57 NC(=O)CCNCCN1CCCCC1CO 2230a_100011473795_100000744528 [0,1,0,1,0,0|2,0,0]=4 10042 B16R1.57 NC(=O)CCNCCN1CCCCC1CO 34a_100011473795_100000731001 [0,1,0,1,0,0|2,0,0]=4 10043 B16R1.57 NC(=O)CNCCCN1CCCCC1CO 34a_200011473794_100000187820 [0,1,0,1,0,0|2,0,0]=4 10044 B16R1.57 O=C([O-])CNCCCN1CCCCC1CO 34a_200011473794_100020667443 [0,1,0,1,0,0|1,0,1]=4 10045 B16R1.57 OCC1CCCCN1CCCCCB(O)O 2230a_100000210821_200009817188 [0,1,0,1,0,0|1,0,1]=4 10046 B16R1.57 OCC1CCCCN1CCCCCB(O)O 269982a_100000210821_200009817188 [0,1,0,1,0,0|1,0,1]=4 10047 B16R1.57 OCC1CCCCN1CCCCCB(O)O 34a_100000210821_200009817188 [0,1,0,1,0,0|1,0,1]=4 10048 B16R1.250 C=C1CC(C1)CNCCCCCCCCO 2230a_100102567296_100000033203 [0,1,0,1,0,0|2,0,0]=4 10049 B16R1.250 C=C1CC(C1)CNCCCCCCCCO 34a_100102567296_100000033203 [0,1,0,1,0,0|2,0,0]=4 10050 B16R1.250 C=C1CC(C1)COCCCCCCCCO 34a_100011011225_100000033203 [0,1,0,1,0,0|2,0,0]=4 10051 B16R1.250 C=C1CC(C1)NCCCCCCCCCO 2230a_100132301982_100009813782 [0,1,0,1,0,0|2,0,0]=4 10052 B16R1.250 CCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210320 [0,1,0,1,0,0|2,0,0]=4 10053 B16R1.250 CCCCCCCCCNCC1CC(=O)C1 2230a_100000212291_100009874392 [0,1,0,1,0,0|2,0,0]=4 10054 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011214924 [0,1,0,1,0,0|2,0,0]=4 10055 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 7a_100000210712_100009874392 [0,1,0,1,0,0|2,0,0]=4 10056 B16R1.250 CCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210670 [0,1,0,1,0,0|2,0,0]=4 10057 B16R1.250 O=C1CC(C1)CNCCCCCCCCO 2230a_102515433106_100009874392 [0,1,0,1,0,0|1,0,0]=3 10058 B16R1.250 O=C1CC(C1)COCCCCCCCCBr 7a_100009813846_100009874392 [0,1,0,1,0,0|2,0,0]=4 10059 B16R1.250 O=C1CC(C1)COCCCCCCCCCl 7a_100000033203_100009874392 [0,1,0,1,0,0|2,0,0]=4 10060 B16R1.250 O=C1CC(C1)COCCCCCCCCO 34a_100000101936_100000033203 [0,1,0,1,0,0|1,0,0]=3 10061 B16R1.250 O=C1CC(C1)CSCCCCCCCCO 62a_100000033203_100009874392 [0,1,0,1,0,0|1,0,0]=3 10062 B16R1.250 O=C1CC(C1)CSCCCCCCCCO 62a_100009874392_100000033203 [0,1,0,1,0,0|1,0,0]=3 10063 B16R1.250 O=C1CC(C1)SCCCCCCCCCO 62a_100009894365_100009813782 [0,1,0,1,0,0|1,0,0]=3 10064 B16R1.250 OCCCCCCCCCCN1CC(C1)O 269982a_100000749847_100009813290 [0,1,0,1,0,0|1,0,1]=4 10065 B16R1.250 OCCCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009813782 [0,1,0,1,0,0|1,0,1]=4 10066 B16R1.250 OCCCCCCCCNCC1CC(C1)O 2230a_100016992100_100000033203 [0,1,0,1,0,0|1,0,1]=4 10067 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210314 [0,1,0,1,0,0|2,0,0]=4 10068 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210757 [0,1,0,1,0,0|2,0,0]=4 10069 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210314 [0,1,0,1,0,0|2,0,0]=4 10070 B16R1.270 COCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000730899 [0,1,0,1,0,0|2,0,0]=4 10071 B16R1.270 COCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000730899 [0,1,0,1,0,0|2,0,0]=4 10072 B16R1.270 COCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000755781 [0,1,0,1,0,0|2,0,0]=4 10073 B16R1.270 NC(=O)CC1CCCCN1CCCCCF 2230a_100015184752_100000729378 [0,1,0,1,0,0|2,0,0]=4 10074 B16R1.270 NC(=O)CC1CCCCN1CCCCCF 269982a_100015184752_100000729378 [0,1,0,1,0,0|2,0,0]=4 10075 B16R1.270 NC(=O)CC1CCCCN1CCCCCF 34a_100015184752_100000729378 [0,1,0,1,0,0|2,0,0]=4 10076 B16R1.270 NC(=O)CC1CCCCN1CCCCCO 2230a_100015184752_100000746330 [0,1,0,1,0,0|1,0,0]=3 10077 B16R1.270 NC(=O)CC1CCCCN1CCCCCO 269982a_100015184752_100000746330 [0,1,0,1,0,0|1,0,0]=3 10078 B16R1.270 NC(=O)CC1CCCCN1CCCCCO 34a_100015184752_100000746330 [0,1,0,1,0,0|1,0,0]=3 10079 B16R1.270 NC(=O)CC1CCCCN1CCOCCO 2230a_100015184752_100011215305 [0,1,0,1,0,0|2,0,0]=4 10080 B16R1.270 NC(=O)CC1CCCCN1CCOCCO 269982a_100015184752_100011215305 [0,1,0,1,0,0|2,0,0]=4 10081 B16R1.270 NC(=O)CC1CCCCN1CCOCCO 34a_100015184752_100000692535 [0,1,0,1,0,0|2,0,0]=4 10082 B16R1.290 CC(=O)CCCCNCC1CCCCC1O 34a_100011216029_100009817362 [0,1,0,1,0,0|1,0,0]=3 10083 B16R1.290 CC(=O)NCCCCNC1CCCCC1O 34a_200011368371_100000038908 [0,1,0,1,0,0|2,0,0]=4 10084 B16R1.290 CC(=O)OCCCCOC1CCCCC1O 34a_100000073216_100000038908 [0,1,0,1,0,0|2,0,0]=4 10085 B16R1.290 CC(=O)OCCCCSC1CCCCC1O 62a_100000033659_100000038908 [0,1,0,1,0,0|2,0,0]=4 10086 B16R1.290 CC(=O)OCCCCSC1CCCCC1O 62a_100000038908_100000033659 [0,1,0,1,0,0|2,0,0]=4 10087 B16R1.290 CC(=O)OCCCNCC1CCCCC1O 34a_100011216029_100000042594 [0,1,0,1,0,0|2,0,0]=4 10088 B16R1.290 CC(=O)SCCCCSC1CCCCC1O 62a_100000038908_200010402107 [0,1,0,1,0,0|2,0,0]=4 10089 B16R1.290 CC(=O)SCCCCSC1CCCCC1O 62a_200010402107_100000038908 [0,1,0,1,0,0|2,0,0]=4 10090 B16R1.290 CC(=O)SCCCNCC1CCCCC1O 34a_100011216029_100000038929 [0,1,0,1,0,0|2,0,0]=4 10091 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 2230a_100000211402_100009817443 [0,1,0,1,0,0|2,0,0]=4 10092 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 34a_100000211402_100009817443 [0,1,0,1,0,0|2,0,0]=4 10093 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 34a_100000211207_100009817443 [0,1,0,1,0,0|2,0,0]=4 10094 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 7a_100000211207_100009817443 [0,1,0,1,0,0|2,0,0]=4 10095 B16R1.290 NC(=O)CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009817443 [0,1,0,1,0,0|2,0,0]=4 10096 B16R1.290 NC(=O)CCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009817443 [0,1,0,1,0,0|2,0,0]=4 10097 B16R1.290 NC(=O)CCCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100009817443 [0,1,0,1,0,0|2,0,0]=4 10098 B16R1.290 NC(=O)CCCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100009817443 [0,1,0,1,0,0|2,0,0]=4 10099 B16R1.290 NC(=O)CCCCCOC1CCCCC1Cl 34a_100000038908_100009817443 [0,1,0,1,0,0|2,0,0]=4 10100 B16R1.290 NC(=O)CCCCCOC1CCCCC1Cl 7a_100000038908_100009817443 [0,1,0,1,0,0|2,0,0]=4 10101 B16R1.290 NC(=O)CCCCCOC1CCCCC1F 34a_100000123541_100015423560 [0,1,0,1,0,0|2,0,0]=4 10102 B16R1.290 NC(=O)CCCCCOC1CCCCC1O 34a_100000123541_100000038908 [0,1,0,1,0,0|1,0,0]=3 10103 B16R1.290 NC(=O)CCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009817443 [0,1,0,1,0,0|2,0,0]=4 10104 B16R1.290 NC(=O)CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100009817443 [0,1,0,1,0,0|2,0,0]=4 10105 B16R1.290 NC(=O)CCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817443 [0,1,0,1,0,0|2,0,0]=4 10106 B16R1.290 NC(=O)CCCCCSC1CCCCC1F 62a_100009817443_100015423560 [0,1,0,1,0,0|2,0,0]=4 10107 B16R1.290 NC(=O)CCCCCSC1CCCCC1F 62a_100015423560_100009817443 [0,1,0,1,0,0|2,0,0]=4 10108 B16R1.290 NC(=O)CCCCCSC1CCCCC1O 62a_100000038908_100009817443 [0,1,0,1,0,0|1,0,0]=3 10109 B16R1.290 NC(=O)CCCCCSC1CCCCC1O 62a_100009817443_100000038908 [0,1,0,1,0,0|1,0,0]=3 10110 B16R1.290 NC(=O)COCCNCC1CCCCC1O 34a_100011216029_100000076697 [0,1,0,1,0,0|2,0,0]=4 10111 B16R1.290 OB(O)CCCCCSC1CCCCC1O 62a_100000038908_200009817188 [0,1,0,1,0,0|1,0,1]=4 10112 B16R1.290 OB(O)CCCCCSC1CCCCC1O 62a_200009817188_100000038908 [0,1,0,1,0,0|1,0,1]=4 10113 B16R1.290 OB(O)CCCCNCC1CCCCC1O 34a_100011216029_200009817182 [0,1,0,1,0,0|1,0,1]=4 10114 B16R1.596 CC(=O)CCCCCCOC1CCCCO1 1458a_100000070787_100000033462 [0,1,0,1,0,0|1,0,0]=3 10115 B16R1.596 CC(=O)CCCCNCCC1CCCCC1 34a_100000738074_100009817362 [0,1,0,1,0,0|2,0,0]=4 10116 B16R1.596 CC(=O)CCCCNCCC1CCCCO1 34a_100015183643_100009817362 [0,1,0,1,0,0|1,0,0]=3 10117 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 34a_100011217863_100009817362 [0,1,0,1,0,0|2,0,0]=4 10118 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 7a_100011217863_100000735457 [0,1,0,1,0,0|2,0,0]=4 10119 B16R1.596 CC(=O)CCCCOCCC1CCCCN1 34a_100000211664_100009817362 [0,1,0,1,0,0|2,0,0]=4 10120 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100000735457_100012355289 [0,1,0,1,0,0|2,0,0]=4 10121 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100012355289_100000735457 [0,1,0,1,0,0|2,0,0]=4 10122 B16R1.596 CC(=O)CCCCSCCC1OCCCO1 62a_100000735457_100000764188 [0,1,0,1,0,0|2,0,0]=4 10123 B16R1.596 CC(=O)CCCCSCCC1OCCCO1 62a_100000764188_100000735457 [0,1,0,1,0,0|2,0,0]=4 10124 B16R1.596 CC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000685027 [0,1,0,1,0,0|2,0,0]=4 10125 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000685027 [0,1,0,1,0,0|2,0,0]=4 10126 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000759063_100011713725 [0,1,0,1,0,0|2,0,0]=4 10127 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100011215641 [0,1,0,1,0,0|2,0,0]=4 10128 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000759063_100011713725 [0,1,0,1,0,0|2,0,0]=4 10129 B16R1.596 CC(=O)CCCOCCCC1CCCCN1 34a_100011934581_100000685027 [0,1,0,1,0,0|2,0,0]=4 10130 B16R1.596 CC(=O)CCCOCCOC1CCCCO1 34a_100000034223_100000685027 [0,1,0,1,0,0|2,0,0]=4 10131 B16R1.596 CC(=O)CCCOCCOC1CCCCO1 34a_100000759063_100000744793 [0,1,0,1,0,0|2,0,0]=4 10132 B16R1.596 CC(=O)CCCOCCOC1CCCCO1 7a_100000034223_100011215641 [0,1,0,1,0,0|2,0,0]=4 10133 B16R1.596 CC(=O)CCCOCCOC1CCCCO1 7a_100000759063_100000744793 [0,1,0,1,0,0|2,0,0]=4 10134 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011215641_100011713725 [0,1,0,1,0,0|2,0,0]=4 10135 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100011215641 [0,1,0,1,0,0|2,0,0]=4 10136 B16R1.596 CC(=O)CCCSCCOC1CCCCO1 62a_100000744793_100011215641 [0,1,0,1,0,0|2,0,0]=4 10137 B16R1.596 CC(=O)CCCSCCOC1CCCCO1 62a_100011215641_100000744793 [0,1,0,1,0,0|2,0,0]=4 10138 B16R1.596 CC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000053229 [0,1,0,1,0,0|2,0,0]=4 10139 B16R1.596 CC(=O)CCOCCCOC1CCCCO1 34a_100000759926_100000700653 [0,1,0,1,0,0|2,0,0]=4 10140 B16R1.596 CC(=O)CCOCCCOC1CCCCO1 7a_100000759926_100000700653 [0,1,0,1,0,0|2,0,0]=4 10141 B16R1.596 CC(=O)CCSCCCOC1CCCCO1 62a_100000053229_100000700653 [0,1,0,1,0,0|2,0,0]=4 10142 B16R1.596 CC(=O)CCSCCCOC1CCCCO1 62a_100000700653_100000053229 [0,1,0,1,0,0|2,0,0]=4 10143 B16R1.596 CC(=O)COCCCCOC1CCCCO1 34a_100000211253_100000031530 [0,1,0,1,0,0|2,0,0]=4 10144 B16R1.596 CC(=O)NCCCCNCC1CCCCO1 2230a_200011368371_100000211543 [0,1,0,1,0,0|2,0,0]=4 10145 B16R1.596 CC(=O)NCCCCNCC1CCCCO1 34a_200011368371_100000211543 [0,1,0,1,0,0|2,0,0]=4 10146 B16R1.596 CC(=O)OCCCCCOC1CCCCO1 34a_100000033831_100000033007 [0,1,0,1,0,0|2,0,0]=4 10147 B16R1.596 CC(=O)OCCCCNCC1CCCCO1 34a_100000174945_100000033659 [0,1,0,1,0,0|2,0,0]=4 10148 B16R1.596 CC(=O)OCCCCOCC1CCCCO1 34a_100000073216_100000211543 [0,1,0,1,0,0|2,0,0]=4 10149 B16R1.596 CC(=O)OCCCCOCC1CCCCO1 34a_100000211370_100000033659 [0,1,0,1,0,0|2,0,0]=4 10150 B16R1.596 CC(=O)OCCCCOCC1CCCCO1 7a_100000073216_100000211543 [0,1,0,1,0,0|2,0,0]=4 10151 B16R1.596 CC(=O)OCCCCOCC1CCCCO1 7a_100000211370_100000033659 [0,1,0,1,0,0|2,0,0]=4 10152 B16R1.596 CC(=O)OCCCCSCC1CCCCO1 62a_100000033659_100000211543 [0,1,0,1,0,0|2,0,0]=4 10153 B16R1.596 CC(=O)OCCCCSCC1CCCCO1 62a_100000211543_100000033659 [0,1,0,1,0,0|2,0,0]=4 10154 B16R1.596 CC(=O)OCCCNCCC1CCCCO1 34a_100015183643_100000042594 [0,1,0,1,0,0|2,0,0]=4 10155 B16R1.596 CC(=O)SCCCCNCC1CCCCO1 2230a_100000174945_200010402107 [0,1,0,1,0,0|2,0,0]=4 10156 B16R1.596 CC(=O)SCCCCNCC1CCCCO1 34a_100000174945_200010402107 [0,1,0,1,0,0|2,0,0]=4 10157 B16R1.596 CC(=O)SCCCCOCC1CCCCO1 34a_100000211370_200010402107 [0,1,0,1,0,0|2,0,0]=4 10158 B16R1.596 CC(=O)SCCCCOCC1CCCCO1 7a_100000211370_200010402107 [0,1,0,1,0,0|2,0,0]=4 10159 B16R1.596 CC(=O)SCCCCSCC1CCCCO1 62a_100000211543_200010402107 [0,1,0,1,0,0|2,0,0]=4 10160 B16R1.596 CC(=O)SCCCCSCC1CCCCO1 62a_200010402107_100000211543 [0,1,0,1,0,0|2,0,0]=4 10161 B16R1.596 CC(=O)SCCCNCCC1CCCCO1 2230a_100015183643_100000038929 [0,1,0,1,0,0|2,0,0]=4 10162 B16R1.596 CC(=O)SCCCNCCC1CCCCO1 34a_100015183643_100000038929 [0,1,0,1,0,0|2,0,0]=4 10163 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 2230a_100000210473_100009817443 [0,1,0,1,0,0|2,0,0]=4 10164 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 34a_100000210473_100009817443 [0,1,0,1,0,0|2,0,0]=4 10165 B16R1.596 NC(=O)CCCCCNCC1CCCCO1 2230a_100000174945_100009817443 [0,1,0,1,0,0|1,0,0]=3 10166 B16R1.596 NC(=O)CCCCCNCC1CCCCO1 34a_100000174945_100009817443 [0,1,0,1,0,0|1,0,0]=3 10167 B16R1.596 NC(=O)CCCCCNCC1CCCOC1 2230a_100000720124_100009817443 [0,1,0,1,0,0|2,0,0]=4 10168 B16R1.596 NC(=O)CCCCCNCC1CCCOC1 34a_100000720124_100009817443 [0,1,0,1,0,0|2,0,0]=4 10169 B16R1.596 NC(=O)CCCCCNC[C@H]1COCCO1 2230a_100010981119_100009817443 [0,1,0,1,0,0|2,0,0]=4 10170 B16R1.596 NC(=O)CCCCCNC[C@H]1COCCO1 34a_100010981119_100009817443 [0,1,0,1,0,0|2,0,0]=4 10171 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000123541_100000211423 [0,1,0,1,0,0|2,0,0]=4 10172 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000212181_100009817443 [0,1,0,1,0,0|2,0,0]=4 10173 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000123541_100000211423 [0,1,0,1,0,0|2,0,0]=4 10174 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000212181_100009817443 [0,1,0,1,0,0|2,0,0]=4 10175 B16R1.596 NC(=O)CCCCCOCC1CCCCN1 34a_100000210821_100009817443 [0,1,0,1,0,0|2,0,0]=4 10176 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 34a_100000123541_100000211543 [0,1,0,1,0,0|1,0,0]=3 10177 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 34a_100000211370_100009817443 [0,1,0,1,0,0|1,0,0]=3 10178 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 7a_100000123541_100000211543 [0,1,0,1,0,0|1,0,0]=3 10179 B16R1.596 NC(=O)CCCCCOCC1CCCCO1 7a_100000211370_100009817443 [0,1,0,1,0,0|1,0,0]=3 10180 B16R1.596 NC(=O)CCCCCOCC1CCCOC1 34a_100000123541_100000741521 [0,1,0,1,0,0|2,0,0]=4 10181 B16R1.596 NC(=O)CCCCCOCC1CCCOC1 34a_100000741520_100009817443 [0,1,0,1,0,0|2,0,0]=4 10182 B16R1.596 NC(=O)CCCCCOCC1CCCOC1 7a_100000123541_100000741521 [0,1,0,1,0,0|2,0,0]=4 10183 B16R1.596 NC(=O)CCCCCOC[C@@H]1CNCCO1 34a_100015189573_100009817443 [0,1,0,1,0,0|2,0,0]=4 10184 B16R1.596 NC(=O)CCCCCOC[C@H]1COCCO1 34a_100009875890_100009817443 [0,1,0,1,0,0|2,0,0]=4 10185 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100000211423_100009817443 [0,1,0,1,0,0|2,0,0]=4 10186 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100009817443_100000211423 [0,1,0,1,0,0|2,0,0]=4 10187 B16R1.596 NC(=O)CCCCCSCC1CCCCO1 62a_100000211543_100009817443 [0,1,0,1,0,0|1,0,0]=3 10188 B16R1.596 NC(=O)CCCCCSCC1CCCCO1 62a_100009817443_100000211543 [0,1,0,1,0,0|1,0,0]=3 10189 B16R1.596 NC(=O)CCCCCSCC1CCCOC1 62a_100000741521_100009817443 [0,1,0,1,0,0|2,0,0]=4 10190 B16R1.596 NC(=O)CCCCCSCC1CCCOC1 62a_100009817443_100000741521 [0,1,0,1,0,0|2,0,0]=4 10191 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 270004a_100000696515_100011713444 [0,1,0,1,0,0|2,0,0]=4 10192 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 34a_100000696515_100011209188 [0,1,0,1,0,0|2,0,0]=4 10193 B16R1.596 NC(=O)CCCCNCCC1OCCCO1 34a_100000696515_100000764188 [0,1,0,1,0,0|2,0,0]=4 10194 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 34a_100012022536_100011209188 [0,1,0,1,0,0|2,0,0]=4 10195 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 7a_100012022536_100011273959 [0,1,0,1,0,0|2,0,0]=4 10196 B16R1.596 NC(=O)CCCCOCCC1OCCCO1 34a_100012022536_100000764188 [0,1,0,1,0,0|2,0,0]=4 10197 B16R1.596 NC(=O)CCCCOCCC1OCCCO1 7a_100012022536_100000764188 [0,1,0,1,0,0|2,0,0]=4 10198 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100000739312_100011713725 [0,1,0,1,0,0|2,0,0]=4 10199 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100102525003 [0,1,0,1,0,0|2,0,0]=4 10200 B16R1.596 NC(=O)CCCNCCOC1CCCCO1 34a_100000739312_100000744793 [0,1,0,1,0,0|2,0,0]=4 10201 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100102525003 [0,1,0,1,0,0|2,0,0]=4 10202 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100102525003 [0,1,0,1,0,0|2,0,0]=4 10203 B16R1.596 NC(=O)CCCOCCCC1CCCCN1 34a_100011934581_100102525003 [0,1,0,1,0,0|2,0,0]=4 10204 B16R1.596 NC(=O)CCCOCCOC1CCCCO1 34a_100000034223_100102525003 [0,1,0,1,0,0|2,0,0]=4 10205 B16R1.596 NC(=O)CCCOCCOC1CCCCO1 7a_100000034223_100102525003 [0,1,0,1,0,0|2,0,0]=4 10206 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100102525003 [0,1,0,1,0,0|2,0,0]=4 10207 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100102525003_100011713725 [0,1,0,1,0,0|2,0,0]=4 10208 B16R1.596 NC(=O)CCCSCCOC1CCCCO1 62a_100000744793_100102525003 [0,1,0,1,0,0|2,0,0]=4 10209 B16R1.596 NC(=O)CCCSCCOC1CCCCO1 62a_100102525003_100000744793 [0,1,0,1,0,0|2,0,0]=4 10210 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 34a_100011215267_100000731001 [0,1,0,1,0,0|2,0,0]=4 10211 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000744528 [0,1,0,1,0,0|2,0,0]=4 10212 B16R1.596 NC(=O)CCOCCCOC1CCCCO1 34a_100000757172_100000700653 [0,1,0,1,0,0|2,0,0]=4 10213 B16R1.596 NC(=O)CCOCCCOC1CCCCO1 7a_100000757172_100000700653 [0,1,0,1,0,0|2,0,0]=4 10214 B16R1.596 NC(=O)CCSCCCOC1CCCCO1 62a_100000700653_100000744528 [0,1,0,1,0,0|2,0,0]=4 10215 B16R1.596 NC(=O)CCSCCCOC1CCCCO1 62a_100000744528_100000700653 [0,1,0,1,0,0|2,0,0]=4 10216 B16R1.596 NC(=O)CNCCCCOC1CCCCO1 2230a_100000711301_100000031530 [0,1,0,1,0,0|2,0,0]=4 10217 B16R1.596 NC(=O)COCCNCCC1CCCCO1 2230a_100015183643_100000076697 [0,1,0,1,0,0|2,0,0]=4 10218 B16R1.596 NC(=O)COCCNCCC1CCCCO1 34a_100015183643_100000076697 [0,1,0,1,0,0|2,0,0]=4 10219 B16R1.596 NC(=O)CSCCCCOC1CCCCO1 62a_100000031530_100000747473 [0,1,0,1,0,0|2,0,0]=4 10220 B16R1.596 NC(=O)CSCCCCOC1CCCCO1 62a_100000747473_100000031530 [0,1,0,1,0,0|2,0,0]=4 10221 B16R1.596 O=C(O)CNCCCCOC1CCCCO1 269956a_100016091260_100000031530 [0,1,0,1,0,0|1,0,0]=3 10222 B16R1.596 O=C(O)COCCNCCC1CCCCC1 269956a_100000700818_100011273959 [0,1,0,1,0,0|2,0,0]=4 10223 B16R1.596 O=C(O)COCCNCCC1OCCCO1 269956a_100000700818_100000764188 [0,1,0,1,0,0|2,0,0]=4 10224 B16R1.596 O=C(O)CONCCCOC1CCCCO1 269956a_100000106656_100000700653 [0,1,0,1,0,0|2,0,0]=4 10225 B16R1.596 O=C([O-])CCCCCOCC1CCCCC1 7a_100102619762_100000211423 [0,1,0,1,0,0|1,0,1]=4 10226 B16R1.596 O=C([O-])CCCCCOCC1CCCCO1 7a_100102619762_100000211543 [0,1,0,1,0,0|0,0,1]=3 10227 B16R1.596 O=C([O-])CCCCCOCC1CCCOC1 7a_100102619762_100000741521 [0,1,0,1,0,0|1,0,1]=4 10228 B16R1.596 O=C([O-])CSCCCCOC1CCCCO1 62a_100000031530_100020667443 [0,1,0,1,0,0|1,0,1]=4 10229 B16R1.596 O=C([O-])CSCCCCOC1CCCCO1 62a_100020667443_100000031530 [0,1,0,1,0,0|1,0,1]=4 10230 B16R1.596 OB(O)CCCCCCOC1CCCCO1 34a_100000033831_100009817187 [0,1,0,1,0,0|1,0,1]=4 10231 B16R1.596 OB(O)CCCCCNCC1CCCCO1 2230a_100000174945_200009817188 [0,1,0,1,0,0|1,0,1]=4 10232 B16R1.596 OB(O)CCCCCNCC1CCCCO1 34a_100000174945_200009817188 [0,1,0,1,0,0|1,0,1]=4 10233 B16R1.596 OB(O)CCCCCOCC1CCCCO1 34a_100000211370_200009817188 [0,1,0,1,0,0|1,0,1]=4 10234 B16R1.596 OB(O)CCCCCOCC1CCCCO1 7a_100000211370_200009817188 [0,1,0,1,0,0|1,0,1]=4 10235 B16R1.596 OB(O)CCCCCSCC1CCCCO1 62a_100000211543_200009817188 [0,1,0,1,0,0|1,0,1]=4 10236 B16R1.596 OB(O)CCCCCSCC1CCCCO1 62a_200009817188_100000211543 [0,1,0,1,0,0|1,0,1]=4 10237 B16R1.596 OB(O)CCCCNCCC1CCCCO1 2230a_100015183643_200009817182 [0,1,0,1,0,0|1,0,1]=4 10238 B16R1.596 OB(O)CCCCNCCC1CCCCO1 34a_100015183643_200009817182 [0,1,0,1,0,0|1,0,1]=4 10239 B16R1.695 CC(=O)CCCCN1CCCCC1CCO 269982a_100000211664_100000735457 [0,1,0,1,0,0|1,0,0]=3 10240 B16R1.695 CC(=O)CCCCN1CCCCC1CCO 34a_100000211664_100009817362 [0,1,0,1,0,0|1,0,0]=3 10241 B16R1.695 CC(=O)OCCCN1CCCCC1CCO 269982a_100000211664_100000042594 [0,1,0,1,0,0|2,0,0]=4 10242 B16R1.695 CC(=O)OCCCN1CCCCC1CCO 34a_100000211664_100000042594 [0,1,0,1,0,0|2,0,0]=4 10243 B16R1.695 CC(=O)SCCCN1CCCCC1CCO 2230a_100000211664_100000038929 [0,1,0,1,0,0|2,0,0]=4 10244 B16R1.695 CC(=O)SCCCN1CCCCC1CCO 269982a_100000211664_100000038929 [0,1,0,1,0,0|2,0,0]=4 10245 B16R1.695 CC(=O)SCCCN1CCCCC1CCO 34a_100000211664_100000038929 [0,1,0,1,0,0|2,0,0]=4 10246 B16R1.695 CCCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100011218038 [0,1,0,1,0,0|2,0,0]=4 10247 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 34a_100011217265_100000685027 [0,1,0,1,0,0|2,0,0]=4 10248 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 7a_100011217265_100011215641 [0,1,0,1,0,0|2,0,0]=4 10249 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 34a_100011217265_100102525003 [0,1,0,1,0,0|2,0,0]=4 10250 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 7a_100011217265_100102525003 [0,1,0,1,0,0|2,0,0]=4 10251 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 269982a_100000701414_100000735457 [0,1,0,1,0,0|2,0,0]=4 10252 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 34a_100000701414_100009817362 [0,1,0,1,0,0|2,0,0]=4 10253 B16R1.695 COCC1CCCCN1CCCCC(=O)C 269982a_100015184032_100000735457 [0,1,0,1,0,0|2,0,0]=4 10254 B16R1.695 COCC1CCCCN1CCCCC(=O)C 34a_100015184032_100009817362 [0,1,0,1,0,0|2,0,0]=4 10255 B16R1.695 NC(=O)COCCN1CCCCC1CCO 2230a_100000211664_100000076697 [0,1,0,1,0,0|2,0,0]=4 10256 B16R1.695 NC(=O)COCCN1CCCCC1CCO 269982a_100000211664_100000076697 [0,1,0,1,0,0|2,0,0]=4 10257 B16R1.695 NC(=O)COCCN1CCCCC1CCO 34a_100000211664_100000076697 [0,1,0,1,0,0|2,0,0]=4 10258 B16R1.695 OCCC1CCCCN1CCCCB(O)O 2230a_100000211664_200009817182 [0,1,0,1,0,0|1,0,1]=4 10259 B16R1.695 OCCC1CCCCN1CCCCB(O)O 269982a_100000211664_200009817182 [0,1,0,1,0,0|1,0,1]=4 10260 B16R1.695 OCCC1CCCCN1CCCCB(O)O 34a_100000211664_200009817182 [0,1,0,1,0,0|1,0,1]=4 10261 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000723119 [0,1,0,1,0,0|2,0,0]=4 10262 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000723119 [0,1,0,1,0,0|2,0,0]=4 10263 B16R1.708 COC[C@@H]1CCCN1CCCCCC(=O)N 2230a_100020646714_100009817443 [0,1,0,1,0,0|2,0,0]=4 10264 B16R1.708 COC[C@@H]1CCCN1CCCCCC(=O)N 269982a_100020646714_100009817443 [0,1,0,1,0,0|2,0,0]=4 10265 B16R1.708 COC[C@@H]1CCCN1CCCCCC(=O)N 34a_100020646714_100009817443 [0,1,0,1,0,0|2,0,0]=4 10266 B16R1.1255 CC(=O)CCCN1CCCCC1CCCO 269982a_100011934581_100011215641 [0,1,0,1,0,0|1,0,0]=3 10267 B16R1.1255 CC(=O)CCCN1CCCCC1CCCO 34a_100011934581_100000685027 [0,1,0,1,0,0|1,0,0]=3 10268 B16R1.1255 CC(=O)NCCC1CCCCN1CCCO 2230a_200011221479_100000230001 [0,1,0,1,0,0|2,0,0]=4 10269 B16R1.1255 CC(=O)NCCC1CCCCN1CCCO 269982a_200011221479_100011215043 [0,1,0,1,0,0|2,0,0]=4 10270 B16R1.1255 CC(=O)NCCC1CCCCN1CCCO 34a_200011221479_100000230001 [0,1,0,1,0,0|2,0,0]=4 10271 B16R1.1255 CC(=O)NCCN1CCCCC1CCCO 2230a_100011934581_100000189650 [0,1,0,1,0,0|2,0,0]=4 10272 B16R1.1255 CC(=O)NCCN1CCCCC1CCCO 269982a_100011934581_100000189650 [0,1,0,1,0,0|2,0,0]=4 10273 B16R1.1255 CC(=O)OCCN1CCCCC1CCCO 269982a_100011934581_100009814007 [0,1,0,1,0,0|2,0,0]=4 10274 B16R1.1255 CC(=O)OCCN1CCCCC1CCCO 34a_100011934581_100009814007 [0,1,0,1,0,0|2,0,0]=4 10275 B16R1.1255 CC(O)CCCN1CCCCC1CCCO 2230a_100011934581_200000718107 [0,1,0,1,0,0|1,0,1]=4 10276 B16R1.1255 CC(O)CCCN1CCCCC1CCCO 269982a_100011934581_200000718107 [0,1,0,1,0,0|1,0,1]=4 10277 B16R1.1255 CC(O)CCCN1CCCCC1CCCO 34a_100011934581_200000718107 [0,1,0,1,0,0|1,0,1]=4 10278 B16R1.1255 COCCC1CCCCN1CCCC(=O)C 269982a_100015186528_100011215641 [0,1,0,1,0,0|2,0,0]=4 10279 B16R1.1255 COCCC1CCCCN1CCCC(=O)C 34a_100015186528_100000685027 [0,1,0,1,0,0|2,0,0]=4 10280 B16R1.1255 COCCC1CCCCN1CCCC(=O)N 269982a_100015186528_100102525003 [0,1,0,1,0,0|2,0,0]=4 10281 B16R1.1255 COCCC1CCCCN1CCCC(=O)N 34a_100015186528_100102525003 [0,1,0,1,0,0|2,0,0]=4 10282 B16R1.1255 NC(=O)CCCN1CCCCC1CCCO 269982a_100011934581_100102525003 [0,1,0,1,0,0|1,0,0]=3 10283 B16R1.1255 NC(=O)CCCN1CCCCC1CCCO 34a_100011934581_100102525003 [0,1,0,1,0,0|1,0,0]=3 10284 B16R1.1255 NC(=O)NCCN1CCCCC1CCCO 2230a_100011934581_200000034859 [0,1,0,1,0,0|2,0,0]=4 10285 B16R1.1255 NC(=O)NCCN1CCCCC1CCCO 269982a_100011934581_200000034859 [0,1,0,1,0,0|2,0,0]=4 10286 B16R1.1255 NC(=O)OCCN1CCCCC1CCCO 269982a_100011934581_200011214921 [0,1,0,1,0,0|2,0,0]=4 10287 B16R1.1255 NC(=O)OCCN1CCCCC1CCCO 34a_100011934581_200011214921 [0,1,0,1,0,0|2,0,0]=4 10288 B16R1.1270 CCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000750825 [0,1,0,1,0,0|2,0,0]=4 10289 B16R1.1352 CC(=O)OCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009813381 [0,1,0,1,0,0|2,0,0]=4 10290 B16R1.1352 CC(=O)OCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000033007 [0,1,0,1,0,0|2,0,0]=4 10291 B16R1.1352 CC(=O)OCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000033007 [0,1,0,1,0,0|2,0,0]=4 10292 B16R1.1352 OC[C@H]1CCCN1CCCCCCB(O)O 2230a_100000745186_100009817187 [0,1,0,1,0,0|1,0,1]=4 10293 B16R1.1352 OC[C@H]1CCCN1CCCCCCB(O)O 269982a_100000745186_100009817187 [0,1,0,1,0,0|1,0,1]=4 10294 B16R1.1352 OC[C@H]1CCCN1CCCCCCB(O)O 34a_100000745186_100009817187 [0,1,0,1,0,0|1,0,1]=4 10295 B16R1.1424 C#CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011215417 [0,1,0,1,0,0|1,0,1]=4 10296 B16R1.1424 C=CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100011713584 [0,1,0,1,0,0|1,0,1]=4 10297 B16R1.1424 CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210326 [0,1,0,1,0,0|1,0,0]=3 10298 B16R1.1424 CCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210147 [0,1,0,1,0,0|2,0,0]=4 10299 B16R1.1424 CCSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000757381 [0,1,0,1,0,0|2,0,0]=4 10300 B16R1.1424 COCCCC1CCCCN1CCC(=O)C 269982a_100011804088_100000053229 [0,1,0,1,0,0|2,0,0]=4 10301 B16R1.1424 COCCCC1CCCCN1CCC(=O)N 2230a_100011804088_100000744528 [0,1,0,1,0,0|2,0,0]=4 10302 B16R1.1424 COCCCC1CCCCN1CCC(=O)N 269982a_100011804088_100000744528 [0,1,0,1,0,0|2,0,0]=4 10303 B16R1.1424 COCCCC1CCCCN1CCC(=O)N 34a_100011804088_100000731001 [0,1,0,1,0,0|2,0,0]=4 10304 B16R1.1424 COCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000740836 [0,1,0,1,0,0|1,0,0]=3 10305 B16R1.1424 N#CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000687738 [0,1,0,1,0,0|1,0,1]=4 10306 B16R1.1424 O=C(O)CCC1CCCCN1CC#CCO 269956a_100000694054_200000047223 [0,1,0,1,0,0|0,0,2]=4 10307 B16R1.1424 O=C(O)CCC1CCCCN1CCCCF 269956a_100000694054_100000729493 [0,1,0,1,0,0|1,0,0]=3 10308 B16R1.1424 O=C(O)CCC1CCCCN1CCCCO 269956a_100000694054_100000210776 [0,1,0,1,0,0|0,0,0]=2 10309 B16R1.1424 O=CCCCN1CCCCC1CCC(=O)O 269956a_100000694054_200011292268 [0,1,0,1,0,0|0,0,2]=4 10310 B16R1.1442 CCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_200000198059 [0,1,0,1,0,0|2,0,0]=4 10311 B16R1.3900 C#CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100012094781 [0,1,0,1,0,0|1,0,1]=4 10312 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 10313 B16R1.3900 C=CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000700193 [0,1,0,1,0,0|1,0,1]=4 10314 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 10315 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210681 [0,1,0,1,0,0|2,0,0]=4 10316 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210681 [0,1,0,1,0,0|2,0,0]=4 10317 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210614 [0,1,0,1,0,0|2,0,0]=4 10318 B16R1.3900 CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210614 [0,1,0,1,0,0|1,0,0]=3 10319 B16R1.3900 CCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210614 [0,1,0,1,0,0|2,0,0]=4 10320 B16R1.3900 CCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210614 [0,1,0,1,0,0|2,0,0]=4 10321 B16R1.3900 CCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210614 [0,1,0,1,0,0|2,0,0]=4 10322 B16R1.3900 CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210757 [0,1,0,1,0,0|1,0,0]=3 10323 B16R1.3900 CCCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000743108 [0,1,0,1,0,0|2,0,0]=4 10324 B16R1.3900 CCCCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011995733 [0,1,0,1,0,0|2,0,0]=4 10325 B16R1.3900 CCCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215938 [0,1,0,1,0,0|2,0,0]=4 10326 B16R1.3900 CCOCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012232248 [0,1,0,1,0,0|2,0,0]=4 10327 B16R1.3900 COCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000730899 [0,1,0,1,0,0|1,0,0]=3 10328 B16R1.3900 COCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000695917 [0,1,0,1,0,0|2,0,0]=4 10329 B16R1.3900 COCCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000231047 [0,1,0,1,0,0|2,0,0]=4 10330 B16R1.3900 N#CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009813376 [0,1,0,1,0,0|1,0,1]=4 10331 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 10332 B16R1.3900 NC(=O)C1CCCCN1CCCCCCF 2230a_100000181395_100015922095 [0,1,0,1,0,0|2,0,0]=4 10333 B16R1.3900 NC(=O)C1CCCCN1CCCCCCF 269982a_100000181395_100015922095 [0,1,0,1,0,0|2,0,0]=4 10334 B16R1.3900 NC(=O)C1CCCCN1CCCCCCF 34a_100000181395_100015922095 [0,1,0,1,0,0|2,0,0]=4 10335 B16R1.3900 NC(=O)C1CCCCN1CCCCCCO 2230a_100000181395_100000766143 [0,1,0,1,0,0|1,0,0]=3 10336 B16R1.3900 NC(=O)C1CCCCN1CCCCCCO 269982a_100000181395_100000766143 [0,1,0,1,0,0|1,0,0]=3 10337 B16R1.3900 NC(=O)C1CCCCN1CCCCCCO 34a_100000181395_100000766143 [0,1,0,1,0,0|1,0,0]=3 10338 B16R1.3900 O=C(O)C1CCSCN1CCCCCCF 269956a_100015185162_100015922095 [0,1,0,1,0,0|2,0,0]=4 10339 B16R1.3900 O=C(O)C1CCSCN1CCCCCCO 269956a_100015185162_100000766143 [0,1,0,1,0,0|1,0,0]=3 10340 B16R1.3900 O=C(O)C1CSCCN1CCCCCCF 269956a_100011346106_100015922095 [0,1,0,1,0,0|2,0,0]=4 10341 B16R1.3900 O=C(O)C1CSCCN1CCCCCCO 269956a_100011346106_100000766143 [0,1,0,1,0,0|1,0,0]=3 10342 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCF 269956a_100009816435_100000729378 [0,1,0,1,0,0|1,0,0]=3 10343 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCO 269956a_100009816435_100000746330 [0,1,0,1,0,0|0,0,0]=2 10344 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCOCCO 269956a_100009816435_100011215305 [0,1,0,1,0,0|1,0,0]=3 10345 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCF 269956a_100000763471_100015922095 [0,1,0,1,0,0|1,0,0]=3 10346 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCO 269956a_100000763471_100000766143 [0,1,0,1,0,0|0,0,0]=2 10347 B16R1.3900 O=C(O)[C@H]1COCCN1CCCCCCF 269956a_100016993156_100015922095 [0,1,0,1,0,0|2,0,0]=4 10348 B16R1.3900 O=C(O)[C@H]1COCCN1CCCCCCO 269956a_100016993156_100000766143 [0,1,0,1,0,0|1,0,0]=3 10349 B16R1.3900 O=CCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000139337 [0,1,0,1,0,0|0,0,2]=4 10350 B16R1.3900 O=CCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000139335 [0,1,0,1,0,0|0,0,2]=4 10351 B16R1.4698 C[C@]1(CCC[C@H]1NCCCCCCCO)O 2230a_100015977457_100000760002 [0,1,0,1,0,0|1,0,1]=4 10352 B16R1.4698 C[C@]1(CCC[C@H]1NCCCCCCCO)O 34a_100015977457_100000760002 [0,1,0,1,0,0|1,0,1]=4 10353 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 10354 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 10355 B16R1.5450 CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210211 [0,1,0,1,0,0|1,0,0]=3 10356 B16R1.5450 CCOCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000739092 [0,1,0,1,0,0|2,0,0]=4 10357 B16R1.5450 COCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000233755 [0,1,0,1,0,0|1,0,0]=3 10358 B16R1.5450 CSCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000212216 [0,1,0,1,0,0|1,1,0]=4 10359 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 10360 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCF 269956a_200049070474_100011934791 [0,1,0,1,0,0|1,0,0]=3 10361 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCO 269956a_200049070474_100011215043 [0,1,0,1,0,0|0,0,0]=2 10362 B16R1.6690 C#CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012276617 [0,1,0,1,0,0|1,0,1]=4 10363 B16R1.6690 C=CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215473 [0,1,0,1,0,0|1,0,1]=4 10364 B16R1.6690 CC(=O)N1CCC[C@@H]1COCCCCCO 34a_100012242843_100000746330 [0,1,0,1,0,0|2,0,0]=4 10365 B16R1.6690 CC(=O)N1CCC[C@@H]1COCCCCCO 7a_100012242843_100000746330 [0,1,0,1,0,0|2,0,0]=4 10366 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210759 [0,1,0,1,0,0|2,0,0]=4 10367 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210759 [0,1,0,1,0,0|1,0,0]=3 10368 B16R1.6690 CCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210759 [0,1,0,1,0,0|2,0,0]=4 10369 B16R1.6690 CCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210759 [0,1,0,1,0,0|2,0,0]=4 10370 B16R1.6690 COCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011998445 [0,1,0,1,0,0|2,0,0]=4 10371 B16R1.6690 COCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011998445 [0,1,0,1,0,0|1,0,0]=3 10372 B16R1.6690 COCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100011998445 [0,1,0,1,0,0|2,0,0]=4 10373 B16R1.6690 COCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011998445 [0,1,0,1,0,0|2,0,0]=4 10374 B16R1.6690 COCCOCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011216529 [0,1,0,1,0,0|2,0,0]=4 10375 B16R1.6690 N#CCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100009813337 [0,1,0,1,0,0|1,0,1]=4 10376 B16R1.6690 NC(=O)N1CCC[C@H]1COCCCCCO 34a_100012022907_100000746330 [0,1,0,1,0,0|2,0,0]=4 10377 B16R1.6690 NC(=O)N1CCC[C@H]1COCCCCCO 7a_100012022907_100000746330 [0,1,0,1,0,0|2,0,0]=4 10378 B16R1.6690 NC(=O)[C@@H]1CCCN1CCCCCCCO 2230a_100000003125_100000760002 [0,1,0,1,0,0|1,0,0]=3 10379 B16R1.6690 O=C(O)C1SCCN1CCCCCCCO 269956a_100000035718_100000760002 [0,1,0,1,0,0|1,0,0]=3 10380 B16R1.6690 O=C(O)[C@@H]1C=CCN1CCCCCCCO 269956a_100000057196_100000760002 [0,1,0,1,0,0|0,0,2]=4 10381 B16R1.6690 O=C(O)[C@@H]1CCCN1CCCCCCCO 269956a_100000743916_100000760002 [0,1,0,1,0,0|0,0,0]=2 10382 B16R1.6690 O=C(O)[C@@H]1CSCN1CCCCCCCO 269956a_100000743924_100000760002 [0,1,0,1,0,0|1,0,0]=3 10383 B16R1.7037 C#CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100010269958 [0,1,0,1,0,0|1,0,1]=4 10384 B16R1.7037 C=CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215482 [0,1,0,1,0,0|1,0,1]=4 10385 B16R1.7037 CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210757 [0,1,0,1,0,0|1,0,0]=3 10386 B16R1.7037 CCCCOCN1CCCCCC1C(=O)O 269956a_100000758484_100011995733 [0,1,0,1,0,0|2,0,0]=4 10387 B16R1.7037 CCCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215938 [0,1,0,1,0,0|2,0,0]=4 10388 B16R1.7037 CCOCCCN1CCCCCC1C(=O)O 269956a_100000758484_100012232248 [0,1,0,1,0,0|2,0,0]=4 10389 B16R1.7037 COCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000730899 [0,1,0,1,0,0|1,0,0]=3 10390 B16R1.7037 COCCOCN1CCCCCC1C(=O)O 269956a_100000758484_100000231047 [0,1,0,1,0,0|2,0,0]=4 10391 B16R1.7037 N#CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011219923 [0,1,0,1,0,0|1,0,1]=4 10392 B16R1.7037 O=C(O)C1CCCCCN1CCCCCF 269956a_100000758484_100000729378 [0,1,0,1,0,0|1,0,0]=3 10393 B16R1.7037 O=C(O)C1CCCCCN1CCCCCO 269956a_100000758484_100000746330 [0,1,0,1,0,0|0,0,0]=2 10394 B16R1.7037 O=C(O)C1CCCCCN1CCOCCO 269956a_100000758484_100011215305 [0,1,0,1,0,0|1,0,0]=3 10395 B16R1.7037 O=CCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000139335 [0,1,0,1,0,0|0,0,2]=4 10396 B16R1.8377 O=C1CN(CCCN1)CCCCCCCO 2230a_100015190381_100000760002 [0,1,0,1,0,0|2,0,0]=4 10397 B16R1.8377 OCCCCCCCN1CCCCC(C1)O 2230a_100025706797_100000760002 [0,1,0,1,0,0|1,0,1]=4 10398 B16R1.8377 OCCCCCCCN1CCCCC(C1)O 269982a_100025706797_100000760002 [0,1,0,1,0,0|1,0,1]=4 10399 B16R1.12321 CC(=O)NCCCCCCNCC1CCO1 2230a_200011996284_100000103362 [0,1,0,1,0,0|2,0,0]=4 10400 B16R1.12321 CC(=O)NCCCCCCNCC1CCO1 34a_200011996284_100000103362 [0,1,0,1,0,0|2,0,0]=4 10401 B16R1.12321 O=C(O)COCCOCCNCC1CCO1 269956a_100009854275_100000103362 [0,1,0,1,0,0|2,0,0]=4 10402 B16R1.12354 CC(=O)CCCCNC1CCCCCCC1 34a_100000211152_100009817362 [0,1,0,1,0,0|2,0,0]=4 10403 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 34a_100000210054_100009817362 [0,1,0,1,0,0|2,0,0]=4 10404 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 7a_100000210054_100000735457 [0,1,0,1,0,0|2,0,0]=4 10405 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000685027 [0,1,0,1,0,0|2,0,0]=4 10406 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100011215641 [0,1,0,1,0,0|2,0,0]=4 10407 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 2230a_100000211400_100009817443 [0,1,0,1,0,0|2,0,0]=4 10408 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 269982a_100000211400_100009817443 [0,1,0,1,0,0|2,0,0]=4 10409 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 34a_100000211400_100009817443 [0,1,0,1,0,0|2,0,0]=4 10410 B16R1.12354 NC(=O)CCCCNC1CCCCCCC1 270004a_100000696515_100000210524 [0,1,0,1,0,0|2,0,0]=4 10411 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100102525003 [0,1,0,1,0,0|2,0,0]=4 10412 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100102525003 [0,1,0,1,0,0|2,0,0]=4 10413 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 2230a_100011532352_100000744528 [0,1,0,1,0,0|2,0,0]=4 10414 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 34a_100011532352_100000731001 [0,1,0,1,0,0|2,0,0]=4 10415 B16R1.17455 OCCCCCCCCCCNCC1CO1 2230a_100000066964_100011216344 [0,1,0,1,0,0|1,0,1]=4 10416 B16R1.17455 OCCCCCCCCCCNCC1CO1 34a_100000066964_102125554688 [0,1,0,1,0,0|1,0,1]=4 10417 B16R1.17455 OCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100009813290 [0,1,0,1,0,0|1,0,1]=4 10418 B16R1.17455 OCCCCCCCCCCSCC1CO1 62a_100009813290_102125554688 [0,1,0,1,0,0|1,0,1]=4 10419 B16R1.17455 OCCCCCCCCCCSCC1CO1 62a_102125554688_200000033068 [0,1,0,1,0,0|1,0,1]=4 10420 B16R1.17455 OCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_200000033068 [0,1,0,1,0,0|1,0,1]=4 10421 B16R1.17455 OCCCCCCCCCCSC[C@@H]1CO1 62a_100009813290_100000745022 [0,1,0,1,0,0|1,0,1]=4 10422 B16R1.17455 OCCCCCCCCCNCCC1CO1 2230a_100000078944_100000732470 [0,1,0,1,0,0|1,0,1]=4 10423 B16R1.17455 OCCCCCCCCCNCCC1CO1 34a_100000078944_100000732470 [0,1,0,1,0,0|1,0,1]=4 10424 B16R1.17455 OCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100009813782 [0,1,0,1,0,0|1,0,1]=4 10425 B16R1.17455 OCCCCCCCCCSCCC1CO1 62a_100000732470_100009813782 [0,1,0,1,0,0|1,0,1]=4 10426 B16R1.17455 OCCCCCCCCCSCCC1CO1 62a_100009813782_100000732470 [0,1,0,1,0,0|1,0,1]=4 10427 B16R1.17455 OCCCCCCCCNCCCC1CO1 2230a_102515433106_100000733510 [0,1,0,1,0,0|1,0,1]=4 10428 B16R1.17455 OCCCCCCCCNCCCC1CO1 34a_102515433106_100000733510 [0,1,0,1,0,0|1,0,1]=4 10429 B16R1.17455 OCCCCCCCCSCCCC1CO1 62a_100000033203_100000733510 [0,1,0,1,0,0|1,0,1]=4 10430 B16R1.17455 OCCCCCCCCSCCCC1CO1 62a_100000733510_100000033203 [0,1,0,1,0,0|1,0,1]=4 10431 B16R1.17540 C#CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100153394163 [0,1,0,1,0,0|1,0,1]=4 10432 B16R1.17540 C=CCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100012355270 [0,1,0,1,0,0|1,0,1]=4 10433 B16R1.17540 CCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210670 [0,1,0,1,0,0|1,0,0]=3 10434 B16R1.17540 O=C(O)C1CCN1CCCCCCCCO 269956a_100000021838_100000033203 [0,1,0,1,0,0|0,0,0]=2 10435 B16R1.17540 O=C(O)C1CCN1CCOCCOCCO 269956a_100000021838_100000032323 [0,1,0,1,0,0|2,0,0]=4 10436 B16R1.18063 CC(=O)CCCOCCCCOCC1CO1 34a_100010889290_100000685027 [0,1,0,1,0,0|2,0,0]=4 10437 B16R1.18063 CC(=O)CCCOCCCCOCC1CO1 7a_100010889290_100011215641 [0,1,0,1,0,0|2,0,0]=4 10438 B16R1.18063 CC(=O)NCCCCCCNCCC1CO1 2230a_200011996284_100000732470 [0,1,0,1,0,0|2,0,0]=4 10439 B16R1.18063 CC(=O)NCCCCCCNCCC1CO1 34a_200011996284_100000732470 [0,1,0,1,0,0|2,0,0]=4 10440 B16R1.18063 CC(=O)NCCCCCNCCCC1CO1 2230a_200012022750_100000733510 [0,1,0,1,0,0|2,0,0]=4 10441 B16R1.18063 CC(=O)NCCCCCNCCCC1CO1 34a_200012022750_100000733510 [0,1,0,1,0,0|2,0,0]=4 10442 B16R1.18063 CC(=O)OCCCCCSCCCC1CO1 62a_100000033007_100000733510 [0,1,0,1,0,0|2,0,0]=4 10443 B16R1.18063 CC(=O)OCCCCCSCCCC1CO1 62a_100000733510_100000033007 [0,1,0,1,0,0|2,0,0]=4 10444 B16R1.18063 NC(=O)CCCOCCCCOCC1CO1 34a_100010889290_100102525003 [0,1,0,1,0,0|2,0,0]=4 10445 B16R1.18063 NC(=O)CCCOCCCCOCC1CO1 7a_100010889290_100102525003 [0,1,0,1,0,0|2,0,0]=4 10446 B16R1.18063 O=C(O)COCCOCCNCCC1CO1 269956a_100009854275_100000732470 [0,1,0,1,0,0|2,0,0]=4 10447 B16R1.18063 OB(O)CCCCCCSCCCC1CO1 62a_100000733510_100009817187 [0,1,0,1,0,0|1,0,1]=4 10448 B16R1.18063 OB(O)CCCCCCSCCCC1CO1 62a_100009817187_100000733510 [0,1,0,1,0,0|1,0,1]=4 10449 B16R1.18095 CC(=O)CCCCNCC1CCCCCC1 34a_100015204231_100009817362 [0,1,0,1,0,0|2,0,0]=4 10450 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 34a_100000699130_100009817362 [0,1,0,1,0,0|2,0,0]=4 10451 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 7a_100000699130_100000735457 [0,1,0,1,0,0|2,0,0]=4 10452 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_100000735457_200000696569 [0,1,0,1,0,0|2,0,0]=4 10453 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_200000696569_100000735457 [0,1,0,1,0,0|2,0,0]=4 10454 B16R1.18095 CC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000685027 [0,1,0,1,0,0|2,0,0]=4 10455 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 2230a_100000210984_100009817443 [0,1,0,1,0,0|2,0,0]=4 10456 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 34a_100000210984_100009817443 [0,1,0,1,0,0|2,0,0]=4 10457 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000123541_100011217769 [0,1,0,1,0,0|2,0,0]=4 10458 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000210887_100009817443 [0,1,0,1,0,0|2,0,0]=4 10459 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 7a_100000210887_100009817443 [0,1,0,1,0,0|2,0,0]=4 10460 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100009817443_100011217769 [0,1,0,1,0,0|2,0,0]=4 10461 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100011217769_100009817443 [0,1,0,1,0,0|2,0,0]=4 10462 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 269862a_100000696515_200000763224 [0,1,0,1,0,0|2,0,0]=4 10463 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 34a_100000696515_200000696569 [0,1,0,1,0,0|2,0,0]=4 10464 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 34a_100012022536_200000696569 [0,1,0,1,0,0|2,0,0]=4 10465 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 7a_100012022536_200000696569 [0,1,0,1,0,0|2,0,0]=4 10466 B16R1.18095 NC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100102525003 [0,1,0,1,0,0|2,0,0]=4 10467 B16R1.18095 O=C(O)COCCNCC1CCCCCC1 269956a_100000700818_200000696569 [0,1,0,1,0,0|2,0,0]=4 10468 B16R1.39 NC(=O)CCCCCN1CCCC(C1)CO 2230a_100000211344_100009817443 [0,1,0,1,0,0|2,0,0]=4 10469 B16R1.39 NC(=O)CCCCCN1CCCC(C1)CO 269982a_100000211344_100009817443 [0,1,0,1,0,0|2,0,0]=4 10470 B16R1.39 NC(=O)CCCCCN1CCCC(C1)CO 34a_100000211344_100009817443 [0,1,0,1,0,0|2,0,0]=4 10471 B16R1.609 NC(=O)CCCCCC(=O)C1CCCCO1 1458a_100000748299_100009817443 [0,1,0,1,0,0|1,0,1]=4 10472 B16R1.1293 CN(CCCCCC(=O)N)CC1CCCO1 2230a_100102946541_100009817443 [0,1,0,1,0,0|2,0,0]=4 10473 B16R1.1293 CN(CCCCCC(=O)N)CC1CCCO1 269982a_100102946541_100009817443 [0,1,0,1,0,0|2,0,0]=4 10474 B16R1.1293 CN(CCCCCC(=O)N)CC1CCCO1 34a_100102946541_100009817443 [0,1,0,1,0,0|2,0,0]=4 10475 B16R1.4617 CCCCCCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100011215978 [0,1,0,1,0,0|2,0,0]=4 10476 B16R1.8787 NC(=O)CCCCCN1CCCCC(C1)O 2230a_100025706797_100009817443 [0,1,0,1,0,0|2,0,0]=4 10477 B16R1.8787 NC(=O)CCCCCN1CCCCC(C1)O 269982a_100025706797_100009817443 [0,1,0,1,0,0|2,0,0]=4 10478 B16R1.1234 CC(=O)CCCN1CCCC(C1)CCCO 269982a_100150707839_100011215641 [0,1,0,1,0,0|2,0,0]=4 10479 B16R1.1234 CC(=O)CCCN1CCCC(C1)CCCO 34a_100150707839_100000685027 [0,1,0,1,0,0|2,0,0]=4 10480 B16R1.1234 NC(=O)CCCN1CCCC(C1)CCCO 269982a_100150707839_100102525003 [0,1,0,1,0,0|2,0,0]=4 10481 B16R1.1234 NC(=O)CCCN1CCCC(C1)CCCO 34a_100150707839_100102525003 [0,1,0,1,0,0|2,0,0]=4 10482 B16R1.1840 CCCCC(C)N1CCCCCC1C(=O)O 269956a_100000758484_200011215066 [0,1,0,1,0,0|2,0,0]=4 10483 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 10484 B16R1.5087 NC(=O)CCCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100009817443 [0,1,0,1,0,0|2,0,0]=4 10485 B16R1.5087 NC(=O)CCCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100009817443 [0,1,0,1,0,0|2,0,0]=4 10486 B16R1.5087 NC(=O)CCCCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100009817443 [0,1,0,1,0,0|2,0,0]=4 10487 B16R1.5087 NC(=O)CCCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100009817443 [0,1,0,1,0,0|2,0,0]=4 10488 B16R1.5087 NC(=O)CCCCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100009817443 [0,1,0,1,0,0|2,0,0]=4 10489 B16R1.7619 CC(C)CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210312 [0,1,0,1,0,0|2,0,0]=4 10490 B16R1.7619 CC(O)CCN1CCCCC1CCC(=O)O 269956a_100000694054_100012276601 [0,1,0,1,0,0|1,0,0]=3 10491 B16R1.12221 CC(O)CCCN1CCCCC1CC(=O)N 2230a_100015184752_200000718107 [0,1,0,1,0,0|2,0,0]=4 10492 B16R1.12221 CC(O)CCCN1CCCCC1CC(=O)N 269982a_100015184752_200000718107 [0,1,0,1,0,0|2,0,0]=4 10493 B16R1.12221 CC(O)CCCN1CCCCC1CC(=O)N 34a_100015184752_200000718107 [0,1,0,1,0,0|2,0,0]=4 10494 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 10495 B16R1.12294 CC(O)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011218427 [0,1,0,1,0,0|1,0,0]=3 10496 B16R1.12294 C[C@@H](O)CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100009817552 [0,1,0,1,0,0|1,0,0]=3 10497 B16R1.12294 O=C(O)[C@H]1CCCCCC[C@H]1NCC(F)F 269956a_200049070474_100011934356 [0,1,0,1,0,0|2,0,0]=4 10498 B16R1.12322 CC(C)CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011216152 [0,1,0,1,0,0|2,0,0]=4 10499 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 10500 B16R1.12322 CC(O)CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000718107 [0,1,0,1,0,0|1,0,0]=3 10501 B16R1.12322 O=C(O)[C@H]1CCCCN1CCCCB(O)O 269956a_100000763471_200009817182 [0,1,0,1,0,0|2,0,0]=4 10502 B16R1.12379 CC(C)CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210682 [0,1,0,1,0,0|2,0,0]=4 10503 B16R1.12379 O=C(O)[C@@H]1CCCN1CCCCCB(O)O 269956a_100000743916_200009817188 [0,1,0,1,0,0|2,0,0]=4 10504 B16R1.12416 CC(C)CCCN1CCCCCC1C(=O)O 269956a_100000758484_100011214892 [0,1,0,1,0,0|2,0,0]=4 10505 B16R1.12416 CC(O)CCCN1CCCCCC1C(=O)O 269956a_100000758484_200000718107 [0,1,0,1,0,0|1,0,0]=3 10506 B16R1.12431 C[C@]1(CCC[C@H]1NCCCCCC(=O)N)O 2230a_100015977457_100009817443 [0,1,0,1,0,0|2,0,0]=4 10507 B16R1.12431 C[C@]1(CCC[C@H]1NCCCCCC(=O)N)O 34a_100015977457_100009817443 [0,1,0,1,0,0|2,0,0]=4 10508 B16R1.18096 O=C(O)C1CCN1CCCCCCB(O)O 269956a_100000021838_100009817187 [0,1,0,1,0,0|2,0,0]=4 10509 B16R1.31 CC(=O)CCCCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100009817362 [0,1,0,1,0,0|2,0,0]=4 10510 B16R1.614 CC(NCCCCCC(=O)N)C1CCCO1 2230a_100025754208_100009817443 [0,1,0,1,0,0|2,0,0]=4 10511 B16R1.614 CC(NCCCCCC(=O)N)C1CCCO1 34a_100025754208_100009817443 [0,1,0,1,0,0|2,0,0]=4 10512 B16R1.1730 CCCCCC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200011218191 [0,1,0,1,0,0|2,0,0]=4 10513 B16R1.1730 NC(=O)[C@@H]1CCCC[C@H]1C(=O)CCCCO 1458a_200009911122_100000210776 [0,1,0,1,0,0|1,0,1]=4 10514 B16R1.4413 CCC(C)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000748023 [0,1,0,1,0,0|2,0,0]=4 10515 B16R1.4413 CCC(O)CN1CCCCC1CCC(=O)O 269956a_100000694054_100011218378 [0,1,0,1,0,0|2,0,0]=4 10516 B16R1.4413 CC[C@H](C)CN1CCCCC1CCC(=O)O 269956a_100000694054_100009816398 [0,1,0,1,0,0|2,0,0]=4 10517 B16R1.4413 C[C@@H](CO)CN1CCCCC1CCC(=O)O 269956a_100000694054_100000059175 [0,1,0,1,0,0|1,0,0]=3 10518 B16R1.4413 O=C(O)CCC1CCCCN1CC(O)CO 269956a_100000694054_100011219619 [0,1,0,1,0,0|1,0,0]=3 10519 B16R1.4413 O=C(O)CCC1CCCCN1C[C@@H](O)CF 269956a_100000694054_100015614560 [0,1,0,1,0,0|2,0,0]=4 10520 B16R1.4413 O=C(O)CCC1CCCCN1C[C@@H](O)CO 269956a_100000694054_100009815848 [0,1,0,1,0,0|1,0,0]=3 10521 B16R1.31530 C[C@]1(CCCN1CCCCCC(=O)N)CO 2230a_100016195882_100009817443 [0,1,0,1,0,0|2,0,0]=4 10522 B16R1.31530 C[C@]1(CCCN1CCCCCC(=O)N)CO 269982a_100016195882_100009817443 [0,1,0,1,0,0|2,0,0]=4 10523 B16R1.31530 C[C@]1(CCCN1CCCCCC(=O)N)CO 34a_100016195882_100009817443 [0,1,0,1,0,0|2,0,0]=4 10524 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 10525 B16R1.78089 C[C@H](CO)N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100016084084 [0,1,0,1,0,0|1,0,0]=3 10526 B16R1.63 CCCCCCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210759 [0,1,0,1,0,0|1,0,1]=4 10527 B16R1.63 O=C1CCC(N1)C(=O)CCCCCCCO 1458a_100000210400_100000760002 [0,1,0,1,0,0|1,0,1]=4 10528 B16R1.63 O=C1CC[C@H](O1)C(=O)CCCCCCCO 1458a_100009814974_100000760002 [0,1,0,1,0,0|0,0,1]=3 10529 B16R1.63 O=C1CC[C@H](O1)C(=O)NCCCCCCO 240690a_100000686447_100009814974 [0,1,0,1,0,0|1,0,1]=4 10530 B16R1.63 O=C1CC[C@H](O1)C(=O)NCCCCCCO 527a_100000686447_100009814974 [0,1,0,1,0,0|1,0,1]=4 10531 B16R1.241 CCCCCCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210757 [0,1,0,1,0,0|2,0,0]=4 10532 B16R1.241 O=C(O)C1CCC(CN1CCCCCF)O 269956a_100000089875_100000729378 [0,1,0,1,0,0|2,0,0]=4 10533 B16R1.241 O=C(O)C1CCC(CN1CCCCCO)O 269956a_100000089875_100000746330 [0,1,0,1,0,0|1,0,0]=3 10534 B16R1.241 O=C(O)C1CCC(CN1CCOCCO)O 269956a_100000089875_100011215305 [0,1,0,1,0,0|2,0,0]=4 10535 B16R1.608 CC(=O)CCCN(C)CCC1CCCCO1 269982a_100015183322_100011215641 [0,1,0,1,0,0|2,0,0]=4 10536 B16R1.608 CC(=O)CCCN(C)CCC1CCCCO1 34a_100015183322_100000685027 [0,1,0,1,0,0|2,0,0]=4 10537 B16R1.608 CC(CCCC(=O)[O-])OCC1CCCCO1 7a_100000761597_100000211543 [0,1,0,1,0,0|1,0,1]=4 10538 B16R1.608 CN(CCCC(=O)N)CCC1CCCCO1 269982a_100015183322_100102525003 [0,1,0,1,0,0|2,0,0]=4 10539 B16R1.608 CN(CCCC(=O)N)CCC1CCCCO1 34a_100015183322_100102525003 [0,1,0,1,0,0|2,0,0]=4 10540 B16R1.608 CN(CCCC(=O)O)CCC1CCCCC1 269956a_100000719178_100011273959 [0,1,0,1,0,0|2,0,0]=4 10541 B16R1.608 CN(CCCC(=O)O)CCC1OCCCO1 269956a_100000719178_100000764188 [0,1,0,1,0,0|2,0,0]=4 10542 B16R1.5835 O=C(CCCCCCCO)CC1CC(=O)C1 1458a_100011219782_100009874392 [0,1,0,1,0,0|1,0,1]=4 10543 B16R1.12527 CC(=O)CCCN(C)CCCC1CCCO1 269982a_100011698863_100011215641 [0,1,0,1,0,0|2,0,0]=4 10544 B16R1.12527 CC(=O)CCCN(C)CCCC1CCCO1 34a_100011698863_100000685027 [0,1,0,1,0,0|2,0,0]=4 10545 B16R1.12527 CN(CCCC(=O)N)CCCC1CCCO1 269982a_100011698863_100102525003 [0,1,0,1,0,0|2,0,0]=4 10546 B16R1.12527 CN(CCCC(=O)N)CCCC1CCCO1 34a_100011698863_100102525003 [0,1,0,1,0,0|2,0,0]=4 10547 B16R1.12527 CN(CCCC(=O)O)CCCC1CCCC1 269956a_100000719178_100011713738 [0,1,0,1,0,0|2,0,0]=4 10548 B16R1.12527 CN(CCCC(=O)O)CCCC1OCCO1 269956a_100000719178_100000042513 [0,1,0,1,0,0|2,0,0]=4 10549 B16R1.58008 CN(CCCC(=O)O)CC1CCCCCC1 269956a_100000719178_200000696569 [0,1,0,1,0,0|2,0,0]=4 10550 B16R2.55 O=C1OCC(O1)N2CCCCC2CCO 34a_100000211664_100000032252 [0,0,0,2,0,0|2,0,0]=4 10551 B16R2.173 O=C1CC[C@H](N1)CN2CCCCC2CO 2230a_100000210821_100015189358 [0,0,0,2,0,0|2,0,0]=4 10552 B16R2.173 O=C1CC[C@H](N1)CN2CCCCC2CO 269982a_100000210821_100015189358 [0,0,0,2,0,0|2,0,0]=4 10553 B16R2.173 O=C1NCC(O1)CN2CCCCC2CO 2230a_100000210821_100000181169 [0,0,0,2,0,0|2,0,0]=4 10554 B16R2.173 O=C1NCC(O1)CN2CCCCC2CO 269982a_100000210821_100000181169 [0,0,0,2,0,0|2,0,0]=4 10555 B16R2.173 O=C1NCC(O1)CN2CCCCC2CO 34a_100000210821_100000181169 [0,0,0,2,0,0|2,0,0]=4 10556 B16R2.173 O=C1OCC(O1)CN2CCCCC2CO 269982a_100000210821_100000073702 [0,0,0,2,0,0|2,0,0]=4 10557 B16R2.173 O=C1OCC(O1)CN2CCCCC2CO 34a_100000210821_100000073702 [0,0,0,2,0,0|2,0,0]=4 10558 B16R2.2832 O=C1CCC(N1)COCC2CCCCO2 34a_100000737831_100000211543 [0,0,0,2,0,0|2,0,0]=4 10559 B16R2.2832 O=C1CC[C@@H](N1)CNCC2CCCCO2 2230a_100015423886_100000211543 [0,0,0,2,0,0|2,0,0]=4 10560 B16R2.2832 O=C1CC[C@@H](N1)CNCC2CCCCO2 34a_100015423886_100000211543 [0,0,0,2,0,0|2,0,0]=4 10561 B16R2.2832 O=C1CC[C@H](N1)CNCC2CCCCO2 2230a_100000174945_100015189358 [0,0,0,2,0,0|2,0,0]=4 10562 B16R2.2832 O=C1CC[C@H](N1)COCC2CCCCO2 7a_100000211370_100015189358 [0,0,0,2,0,0|2,0,0]=4 10563 B16R2.2832 O=C1CC[C@H](N1)CSCC2CCCCO2 62a_100000211543_100015189358 [0,0,0,2,0,0|2,0,0]=4 10564 B16R2.2832 O=C1CC[C@H](N1)CSCC2CCCCO2 62a_100015189358_100000211543 [0,0,0,2,0,0|2,0,0]=4 10565 B16R2.2832 O=C1NCC(O1)CNCC2CCCCO2 2230a_100000174945_100000181169 [0,0,0,2,0,0|2,0,0]=4 10566 B16R2.2832 O=C1NCC(O1)CNCC2CCCCO2 34a_100000174945_100000181169 [0,0,0,2,0,0|2,0,0]=4 10567 B16R2.2832 O=C1NCC(O1)COCC2CCCCO2 34a_100000211370_100000181169 [0,0,0,2,0,0|2,0,0]=4 10568 B16R2.2832 O=C1NCC(O1)COCC2CCCCO2 34a_100011315639_100000211543 [0,0,0,2,0,0|2,0,0]=4 10569 B16R2.2832 O=C1NCC(O1)COCC2CCCCO2 7a_100000211370_100000181169 [0,0,0,2,0,0|2,0,0]=4 10570 B16R2.2832 O=C1NCC(O1)CSCC2CCCCO2 62a_100000181169_100000211543 [0,0,0,2,0,0|2,0,0]=4 10571 B16R2.2832 O=C1NCC(O1)CSCC2CCCCO2 62a_100000211543_100000181169 [0,0,0,2,0,0|2,0,0]=4 10572 B16R2.2832 O=C1OCC(O1)CNCC2CCCCO2 34a_100000174945_100000073702 [0,0,0,2,0,0|2,0,0]=4 10573 B16R2.2832 O=C1OCC(O1)COCC2CCCCO2 34a_100000211370_100000073702 [0,0,0,2,0,0|2,0,0]=4 10574 B16R2.2832 O=C1OCC(O1)CSCC2CCCCO2 62a_100000073702_100000211543 [0,0,0,2,0,0|2,0,0]=4 10575 B16R2.2832 O=C1OCC(O1)CSCC2CCCCO2 62a_100000211543_100000073702 [0,0,0,2,0,0|2,0,0]=4 10576 B16R2.2832 O=C1OCC(O1)NCCC2CCCCO2 34a_100015183643_100000032252 [0,0,0,2,0,0|2,0,0]=4 10577 B16R2.11414 O=C1CCC(N1)COC2CCCCC2O 34a_100000737831_100000038908 [0,0,0,2,0,0|2,0,0]=4 10578 B16R2.11414 O=C1CC[C@@H](N1)CNC2CCCCC2O 34a_100015423886_100000038908 [0,0,0,2,0,0|2,0,0]=4 10579 B16R2.11414 O=C1CC[C@H](N1)CSC2CCCCC2O 62a_100000038908_100015189358 [0,0,0,2,0,0|2,0,0]=4 10580 B16R2.11414 O=C1CC[C@H](N1)CSC2CCCCC2O 62a_100015189358_100000038908 [0,0,0,2,0,0|2,0,0]=4 10581 B16R2.11414 O=C1NCC(O1)COC2CCCCC2O 34a_100011315639_100000038908 [0,0,0,2,0,0|2,0,0]=4 10582 B16R2.11414 O=C1NCC(O1)CSC2CCCCC2O 62a_100000038908_100000181169 [0,0,0,2,0,0|2,0,0]=4 10583 B16R2.11414 O=C1NCC(O1)CSC2CCCCC2O 62a_100000181169_100000038908 [0,0,0,2,0,0|2,0,0]=4 10584 B16R2.11414 O=C1OCC(O1)CSC2CCCCC2O 62a_100000038908_100000073702 [0,0,0,2,0,0|2,0,0]=4 10585 B16R2.11414 O=C1OCC(O1)CSC2CCCCC2O 62a_100000073702_100000038908 [0,0,0,2,0,0|2,0,0]=4 10586 B16R2.11414 O=C1OCC(O1)NCC2CCCCC2O 34a_100011216029_100000032252 [0,0,0,2,0,0|2,0,0]=4 10587 B16R2.85359 NC(=O)CCCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100009817443 [0,0,0,2,0,0|2,0,0]=4 10588 B16R2.85359 NC(=O)CCCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100009817443 [0,0,0,2,0,0|2,0,0]=4 10589 B16R2.85359 NC(=O)CCCCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100009817443 [0,0,0,2,0,0|2,0,0]=4 10590 B16R2.252 O=C1CCCC(C1)OCC2CCCCO2 34a_100012613340_100000211543 [0,0,0,2,0,0|2,0,0]=4 10591 B16R2.2923 O=C1CCCC(C1)OC2CCCCC2O 34a_100012613340_100000038908 [0,0,0,2,0,0|2,0,0]=4 10592 B16R2.11913 O=C1CCCC(N1)COCCCC2CO2 34a_200000102386_100000733510 [0,0,0,2,0,0|2,0,0]=4 10593 B16R2.3265 O=C(O)C1SCCN1C2CCCCC2O 269956a_100000035718_100000038908 [0,0,0,2,0,0|2,0,0]=4 10594 B16R2.3265 O=C(O)[C@@H]1CCCN1C2CCCCC2F 269956a_100000743916_100015423560 [0,0,0,2,0,0|2,0,0]=4 10595 B16R2.3265 O=C(O)[C@@H]1CCCN1C2CCCCC2O 269956a_100000743916_100000038908 [0,0,0,2,0,0|1,0,0]=3 10596 B16R2.3265 O=C(O)[C@@H]1CSCN1C2CCCCC2O 269956a_100000743924_100000038908 [0,0,0,2,0,0|2,0,0]=4 10597 B16R2.87 O=C(O)[C@H]1CCCCN1C2CCCCC2 269956a_100000763471_100000210327 [0,0,0,2,0,0|2,0,0]=4 10598 B16R2.498 NC(=O)C1CCCCN1CC2CCCO2 2230a_100000181395_100000203698 [0,0,0,2,0,0|2,0,0]=4 10599 B16R2.498 NC(=O)C1CCCCN1CC2CCCO2 269982a_100000181395_100000183445 [0,0,0,2,0,0|2,0,0]=4 10600 B16R2.498 O=C(O)C1CCSCN1CC2CCCO2 269956a_100015185162_100000183445 [0,0,0,2,0,0|2,0,0]=4 10601 B16R2.498 O=C(O)C1CSCCN1CC2CCCO2 269956a_100011346106_100000183445 [0,0,0,2,0,0|2,0,0]=4 10602 B16R2.498 O=C(O)[C@@H]1CCCC[C@H]1NC2CCCC2 269956a_100009816435_100000179811 [0,0,0,2,0,0|2,0,0]=4 10603 B16R2.498 O=C(O)[C@H]1CCCCN1CC2CCCC2 269956a_100000763471_100000740388 [0,0,0,2,0,0|2,0,0]=4 10604 B16R2.498 O=C(O)[C@H]1CCCCN1CC2CCCO2 269956a_100000763471_100000183445 [0,0,0,2,0,0|1,0,0]=3 10605 B16R2.498 O=C(O)[C@H]1CCCCN1CC2OCCO2 269956a_100000763471_100000755774 [0,0,0,2,0,0|2,0,0]=4 10606 B16R2.498 O=C(O)[C@H]1COCCN1CC2CCCO2 269956a_100016993156_100000183445 [0,0,0,2,0,0|2,0,0]=4 10607 B16R2.3033 NC(=O)C1CCCCN1[C@@H]2CCC[C@H]2O 269982a_100000181395_200016002552 [0,0,0,2,0,0|2,0,0]=4 10608 B16R2.3033 O=C(O)C1CCSCN1[C@@H]2CCC[C@H]2O 269956a_100015185162_200016002552 [0,0,0,2,0,0|2,0,0]=4 10609 B16R2.3033 O=C(O)C1CSCCN1[C@@H]2CCC[C@H]2O 269956a_100011346106_200016002552 [0,0,0,2,0,0|2,0,0]=4 10610 B16R2.3033 O=C(O)[C@H]1CCCCN1C2COCC2O 269956a_100000763471_200000725654 [0,0,0,2,0,0|2,0,0]=4 10611 B16R2.3033 O=C(O)[C@H]1CCCCN1[C@@H]2CCC[C@H]2O 269956a_100000763471_200016002552 [0,0,0,2,0,0|1,0,0]=3 10612 B16R2.3033 O=C(O)[C@H]1COCCN1[C@@H]2CCC[C@H]2O 269956a_100016993156_200016002552 [0,0,0,2,0,0|2,0,0]=4 10613 B16R2.27522 NC(=O)C1CCCCN1CCCC2CO2 2230a_100000181395_100000733510 [0,0,0,2,0,0|2,0,0]=4 10614 B16R2.27522 NC(=O)C1CCCCN1CCCC2CO2 269982a_100000181395_100000733510 [0,0,0,2,0,0|2,0,0]=4 10615 B16R2.27522 NC(=O)C1CCCCN1CCCC2CO2 34a_100000181395_100000733510 [0,0,0,2,0,0|2,0,0]=4 10616 B16R2.27522 O=C(O)C1CCSCN1CCCC2CO2 269956a_100015185162_100000733510 [0,0,0,2,0,0|2,0,0]=4 10617 B16R2.27522 O=C(O)C1CSCCN1CCCC2CO2 269956a_100011346106_100000733510 [0,0,0,2,0,0|2,0,0]=4 10618 B16R2.27522 O=C(O)[C@@H]1CCCC[C@H]1NCCC2CC2 269956a_100009816435_100000694398 [0,0,0,2,0,0|2,0,0]=4 10619 B16R2.27522 O=C(O)[C@@H]1CCCC[C@H]1NCCC2CO2 269956a_100009816435_100000732470 [0,0,0,2,0,0|1,0,0]=3 10620 B16R2.27522 O=C(O)[C@H]1CCCCN1CCCC2CO2 269956a_100000763471_100000733510 [0,0,0,2,0,0|1,0,0]=3 10621 B16R2.27522 O=C(O)[C@H]1COCCN1CCCC2CO2 269956a_100016993156_100000733510 [0,0,0,2,0,0|2,0,0]=4 10622 B16R2.27531 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCC2 269956a_100009816435_100000763275 [0,0,0,2,0,0|2,0,0]=4 10623 B16R2.27531 O=C(O)[C@@H]1CCCC[C@H]1NCC2CCO2 269956a_100009816435_100000103362 [0,0,0,2,0,0|1,0,0]=3 10624 B16R2.496 O=C(O)C1CCCCCN1C2CCCC2 269956a_100000758484_100000179811 [0,0,0,2,0,0|2,0,0]=4 10625 B16R2.509 O=C(O)[C@@H]1CCCN1CCC2CCCC2 269956a_100000743916_100000760354 [0,0,0,2,0,0|2,0,0]=4 10626 B16R2.509 O=C(O)[C@@H]1CCCN1CCC2OCCO2 269956a_100000743916_100000740749 [0,0,0,2,0,0|2,0,0]=4 10627 B16R2.27491 O=C(O)C1CCN1CCCC2CCCC2 269956a_100000021838_100011713738 [0,0,0,2,0,0|2,0,0]=4 10628 B16R2.27491 O=C(O)C1CCN1CCCC2OCCO2 269956a_100000021838_100000042513 [0,0,0,2,0,0|2,0,0]=4 10629 B16R2.464 NC(=O)[C@@H]1CCCN1CC2CCCCO2 2230a_100000003125_100000211543 [0,0,0,2,0,0|2,0,0]=4 10630 B16R2.464 O=C(O)C1SCCN1CC2CCCCO2 269956a_100000035718_100000211543 [0,0,0,2,0,0|2,0,0]=4 10631 B16R2.464 O=C(O)[C@@H]1CCCN1CC2CCCCC2 269956a_100000743916_100000211423 [0,0,0,2,0,0|2,0,0]=4 10632 B16R2.464 O=C(O)[C@@H]1CCCN1CC2CCCCO2 269956a_100000743916_100000211543 [0,0,0,2,0,0|1,0,0]=3 10633 B16R2.464 O=C(O)[C@@H]1CSCN1CC2CCCCO2 269956a_100000743924_100000211543 [0,0,0,2,0,0|2,0,0]=4 10634 B16R2.465 O=C(O)C1CCN1CCC2CCCCC2 269956a_100000021838_100011273959 [0,0,0,2,0,0|2,0,0]=4 10635 B16R2.465 O=C(O)C1CCN1CCC2OCCCO2 269956a_100000021838_100000764188 [0,0,0,2,0,0|2,0,0]=4 10636 B16R2.3338 O=C1CC(C1)CNCCC2CCCCO2 2230a_100015183643_100009874392 [0,0,0,2,0,0|2,0,0]=4 10637 B16R2.6148 CCN1C(CCC2C1CCCC2)C(=O)O 269956a_100000765686_100000210202 [0,0,0,2,0,0|2,0,0]=4 10638 B16R2.6148 O=C(O)C1CCC2CCCCC2N1CF 269956a_100000765686_100015361967 [0,0,0,2,0,0|2,0,0]=4 10639 B16R2.6613 O=C1CC(C1)CN2CCCCC2CCO 2230a_100000211664_100009874392 [0,0,0,2,0,0|2,0,0]=4 10640 B16R2.6613 O=C1CC(C1)CN2CCCCC2CCO 269982a_100000211664_100009874392 [0,0,0,2,0,0|2,0,0]=4 10641 B16R2.887 O=C1CC(C1)N2CCCCC2CCCO 269982a_100011934581_100009894365 [0,0,0,2,0,0|2,0,0]=4 10642 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 10643 B16R2.3529 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCF 269956a_100000703543_100011217306 [0,0,0,2,0,0|2,0,0]=4 10644 B16R2.3529 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCO 269956a_100000703543_100000211926 [0,0,0,2,0,0|1,0,0]=3 10645 B16R2.27269 O=C(O)CCC1CCCCN1CC2CC2 269956a_100000694054_100000742324 [0,0,0,2,0,0|2,0,0]=4 10646 B16R2.27269 O=C(O)CCC1CCCCN1CC2CO2 269956a_100000694054_102125554688 [0,0,0,2,0,0|1,0,0]=3 10647 B16R2.27269 O=C(O)CCC1CCCCN1CC2CS2 269956a_100000694054_100000031435 [0,0,0,2,0,0|1,1,0]=4 10648 B16R2.27269 O=C(O)CCC1CCCCN1C[C@@H]2CO2 269956a_100000694054_100000745022 [0,0,0,2,0,0|1,0,0]=3 10649 B16R2.143763 O=C(O)CCC1CCCCN1C2CCC2 269956a_100000694054_100000749161 [0,0,0,2,0,0|2,0,0]=4 10650 B16R2.35046 NC(=O)CC1CCCCN1CCC2CO2 2230a_100015184752_100000732470 [0,0,0,2,0,0|2,0,0]=4 10651 B16R2.35046 NC(=O)CC1CCCCN1CCC2CO2 269982a_100015184752_100000732470 [0,0,0,2,0,0|2,0,0]=4 10652 B16R2.35046 NC(=O)CC1CCCCN1CCC2CO2 34a_100015184752_100000732470 [0,0,0,2,0,0|2,0,0]=4 10653 B16R2.35047 NC(=O)CC1CCCCN1CC2CCO2 2230a_100015184752_100000103362 [0,0,0,2,0,0|2,0,0]=4 10654 B16R2.35047 NC(=O)CC1CCCCN1CC2CCO2 269982a_100015184752_100000103362 [0,0,0,2,0,0|2,0,0]=4 10655 B16R2.35047 NC(=O)CC1CCCCN1CC2CCO2 34a_100015184752_100000103362 [0,0,0,2,0,0|2,0,0]=4 10656 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 10657 B16R2.874 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCF 269956a_100015758391_100011934791 [0,0,0,2,0,0|2,0,0]=4 10658 B16R2.874 O=C(O)[C@@H]1C[C@@H]2CCC[C@@H]2N1CCCO 269956a_100015758391_100011215043 [0,0,0,2,0,0|1,0,0]=3 10659 B16R2.27657 O=C(O)[C@@H]1CCCN1C2CCCCCC2 269956a_100000743916_100011217769 [0,0,0,2,0,0|2,0,0]=4 10660 B16R2.143009 O=C(O)C1CCCCCN1CCC2CC2 269956a_100000758484_100000694398 [0,0,0,2,0,0|2,0,0]=4 10661 B16R2.143009 O=C(O)C1CCCCCN1CCC2CO2 269956a_100000758484_100000732470 [0,0,0,2,0,0|1,0,0]=3 10662 B16R2.144912 O=C(O)C1CCCCCN1CC2CCC2 269956a_100000758484_100000763275 [0,0,0,2,0,0|2,0,0]=4 10663 B16R2.144912 O=C(O)C1CCCCCN1CC2CCO2 269956a_100000758484_100000103362 [0,0,0,2,0,0|1,0,0]=3 10664 B16R2.142887 O=C(O)[C@H]1CCCCCC[C@H]1NC2CC2 269956a_200049070474_100000211595 [0,0,0,2,0,0|2,0,0]=4 10665 B16R2.142995 O=C(O)C1CCN1CC2CCCCCC2 269956a_100000021838_200000696569 [0,0,0,2,0,0|2,0,0]=4