0 B16R0.303 C#CCCCCCCCCCCOCCC=C 34a_100000054667_100000754431 [0,0,0,0,0,0|2,0,2]=4 1 B16R0.303 C#CCCCCCCCCCCOCCC=C 7a_100000054667_100000754431 [0,0,0,0,0,0|2,0,2]=4 2 B16R0.303 C#CCCCCCCCCCCOCCCC 34a_100000054667_100000210210 [0,0,0,0,0,0|2,0,1]=3 3 B16R0.303 C#CCCCCCCCCCCOCCCC 7a_100000054667_100000210211 [0,0,0,0,0,0|2,0,1]=3 4 B16R0.303 C#CCCCCCCCCCCOCCCF 34a_100000054667_100011934791 [0,0,0,0,0,0|3,0,1]=4 5 B16R0.303 C#CCCCCCCCCCCOCCCF 7a_100000054667_100011934791 [0,0,0,0,0,0|3,0,1]=4 6 B16R0.303 C#CCCCCCCCCCCOCCCO 34a_100000054667_100000230001 [0,0,0,0,0,0|3,0,1]=4 7 B16R0.303 C#CCCCCCCCCCCOCCCO 7a_100000054667_100011215043 [0,0,0,0,0,0|3,0,1]=4 8 B16R0.303 C#CCCCCCCCCCCOCCOC 34a_100000054667_100011201679 [0,0,0,0,0,0|3,0,1]=4 9 B16R0.303 C#CCCCCCCCCCCOCCOC 7a_100000054667_100000233755 [0,0,0,0,0,0|3,0,1]=4 10 B16R0.303 C#CCCCCCCCCCCOCCSC 34a_100000054667_100000212216 [0,0,0,0,0,0|3,0,1]=4 11 B16R0.303 C#CCCCCCCCCCCOCCSC 7a_100000054667_100000212216 [0,0,0,0,0,0|3,0,1]=4 12 B16R0.303 C#CCCCCCCCCCOCCCC=C 34a_100000034437_100000757094 [0,0,0,0,0,0|2,0,2]=4 13 B16R0.303 C#CCCCCCCCCCOCCCC=C 7a_100000034437_100000757094 [0,0,0,0,0,0|2,0,2]=4 14 B16R0.303 C#CCCCCCCCCCOCCCC=O 7a_100000034437_200011292268 [0,0,0,0,0,0|1,0,2]=3 15 B16R0.303 C#CCCCCCCCCCOCCCCC 34a_100000034437_100000718602 [0,0,0,0,0,0|2,0,1]=3 16 B16R0.303 C#CCCCCCCCCCOCCCCC 7a_100000034437_100000210326 [0,0,0,0,0,0|2,0,1]=3 17 B16R0.303 C#CCCCCCCCCCOCCCCF 34a_100000034437_100000729493 [0,0,0,0,0,0|3,0,1]=4 18 B16R0.303 C#CCCCCCCCCCOCCCCF 7a_100000034437_100000729493 [0,0,0,0,0,0|3,0,1]=4 19 B16R0.303 C#CCCCCCCCCCOCCCCO 34a_100000034437_100011216708 [0,0,0,0,0,0|3,0,1]=4 20 B16R0.303 C#CCCCCCCCCCOCCCCO 7a_100000034437_100000210776 [0,0,0,0,0,0|3,0,1]=4 21 B16R0.303 C#CCCCCCCCCCOCCCOC 34a_100000034437_100000740836 [0,0,0,0,0,0|3,0,1]=4 22 B16R0.303 C#CCCCCCCCCCOCCCOC 7a_100000034437_100000740836 [0,0,0,0,0,0|3,0,1]=4 23 B16R0.303 C#CCCCCCCCCCOCCOCC 34a_100000034437_100000210147 [0,0,0,0,0,0|3,0,1]=4 24 B16R0.303 C#CCCCCCCCCCOCCOCC 7a_100000034437_100011215890 [0,0,0,0,0,0|3,0,1]=4 25 B16R0.303 C#CCCCCCCCCCOCCSCC 34a_100000034437_100000757381 [0,0,0,0,0,0|3,0,1]=4 26 B16R0.303 C#CCCCCCCCCCOCCSCC 7a_100000034437_100000757381 [0,0,0,0,0,0|3,0,1]=4 27 B16R0.303 C#CCCCCCCCCOCCCCC=C 34a_100000065265_100011215482 [0,0,0,0,0,0|2,0,2]=4 28 B16R0.303 C#CCCCCCCCCOCCCCC=C 7a_100000065265_100011215482 [0,0,0,0,0,0|2,0,2]=4 29 B16R0.303 C#CCCCCCCCCOCCCCC=O 7a_100000065265_100000139335 [0,0,0,0,0,0|1,0,2]=3 30 B16R0.303 C#CCCCCCCCCOCCCCCC 34a_100000065265_100000210314 [0,0,0,0,0,0|2,0,1]=3 31 B16R0.303 C#CCCCCCCCCOCCCCCC 7a_100000065265_100000210314 [0,0,0,0,0,0|2,0,1]=3 32 B16R0.303 C#CCCCCCCCCOCCCCCF 34a_100000065265_100000729378 [0,0,0,0,0,0|3,0,1]=4 33 B16R0.303 C#CCCCCCCCCOCCCCCF 7a_100000065265_100000729378 [0,0,0,0,0,0|3,0,1]=4 34 B16R0.303 C#CCCCCCCCCOCCCCCO 34a_100000065265_100000746330 [0,0,0,0,0,0|3,0,1]=4 35 B16R0.303 C#CCCCCCCCCOCCCCCO 7a_100000065265_100000746330 [0,0,0,0,0,0|3,0,1]=4 36 B16R0.303 C#CCCCCCCCCOCCCCOC 34a_100000065265_100000755781 [0,0,0,0,0,0|3,0,1]=4 37 B16R0.303 C#CCCCCCCCCOCCCCOC 7a_100000065265_100000730899 [0,0,0,0,0,0|3,0,1]=4 38 B16R0.303 C#CCCCCCCCCOCCCOCC 34a_100000065265_100012232248 [0,0,0,0,0,0|3,0,1]=4 39 B16R0.303 C#CCCCCCCCCOCCCOCC 7a_100000065265_100012232248 [0,0,0,0,0,0|3,0,1]=4 40 B16R0.303 C#CCCCCCCCCOCCOCCC 34a_100000065265_100011215938 [0,0,0,0,0,0|3,0,1]=4 41 B16R0.303 C#CCCCCCCCCOCCOCCC 7a_100000065265_100011215938 [0,0,0,0,0,0|3,0,1]=4 42 B16R0.303 C#CCCCCCCCCOCOCCCC 34a_100000065265_100011995733 [0,0,0,0,0,0|3,0,1]=4 43 B16R0.303 C#CCCCCCCCNCCCCCCC 2230a_100000229938_100153394163 [0,0,0,0,0,0|2,0,1]=3 44 B16R0.303 C#CCCCCCCCNCCCCCCO 2230a_100000686447_100153394163 [0,0,0,0,0,0|3,0,1]=4 45 B16R0.303 C#CCCCCCCCNCCCCCCO 34a_100000686447_100153394163 [0,0,0,0,0,0|3,0,1]=4 46 B16R0.303 C#CCCCCCCCNCCCCCOC 2230a_100000747528_100153394163 [0,0,0,0,0,0|3,0,1]=4 47 B16R0.303 C#CCCCCCCCNCCCCCOC 34a_100000747528_100153394163 [0,0,0,0,0,0|3,0,1]=4 48 B16R0.303 C#CCCCCCCCNCCCOCCC 2230a_100011217757_100153394163 [0,0,0,0,0,0|3,0,1]=4 49 B16R0.303 C#CCCCCCCCNCCCOCCC 34a_100011217757_100153394163 [0,0,0,0,0,0|3,0,1]=4 50 B16R0.303 C#CCCCCCCCNCCSCCCC 2230a_100025743550_100153394163 [0,0,0,0,0,0|3,0,1]=4 51 B16R0.303 C#CCCCCCCCOCCCCCC=C 34a_100000054614_100000700193 [0,0,0,0,0,0|2,0,2]=4 52 B16R0.303 C#CCCCCCCCOCCCCCC=C 34a_100011216702_100153394163 [0,0,0,0,0,0|2,0,2]=4 53 B16R0.303 C#CCCCCCCCOCCCCCC=C 7a_100000054614_100000700193 [0,0,0,0,0,0|2,0,2]=4 54 B16R0.303 C#CCCCCCCCOCCCCCC=C 7a_100011216702_100153394163 [0,0,0,0,0,0|2,0,2]=4 55 B16R0.303 C#CCCCCCCCOCCCCCC=O 7a_100000054614_100000139337 [0,0,0,0,0,0|1,0,2]=3 56 B16R0.303 C#CCCCCCCCOCCCCCCBr 34a_100011215345_100153394163 [0,0,0,0,0,0|3,0,1]=4 57 B16R0.303 C#CCCCCCCCOCCCCCCBr 7a_100011215345_100153394163 [0,0,0,0,0,0|3,0,1]=4 58 B16R0.303 C#CCCCCCCCOCCCCCCC 34a_100000054614_100000210614 [0,0,0,0,0,0|2,0,1]=3 59 B16R0.303 C#CCCCCCCCOCCCCCCC 34a_100000210272_100153394163 [0,0,0,0,0,0|2,0,1]=3 60 B16R0.303 C#CCCCCCCCOCCCCCCC 7a_100000054614_100000210614 [0,0,0,0,0,0|2,0,1]=3 61 B16R0.303 C#CCCCCCCCOCCCCCCC 7a_100000210272_100153394163 [0,0,0,0,0,0|2,0,1]=3 62 B16R0.303 C#CCCCCCCCOCCCCCCCl 34a_100000766143_100153394163 [0,0,0,0,0,0|3,0,1]=4 63 B16R0.303 C#CCCCCCCCOCCCCCCCl 7a_100000766143_100153394163 [0,0,0,0,0,0|3,0,1]=4 64 B16R0.303 C#CCCCCCCCOCCCCCCF 34a_100000054614_100015922095 [0,0,0,0,0,0|3,0,1]=4 65 B16R0.303 C#CCCCCCCCOCCCCCCF 34a_100000732779_100153394163 [0,0,0,0,0,0|3,0,1]=4 66 B16R0.303 C#CCCCCCCCOCCCCCCF 7a_100000054614_100015922095 [0,0,0,0,0,0|3,0,1]=4 67 B16R0.303 C#CCCCCCCCOCCCCCCF 7a_100000732779_100153394163 [0,0,0,0,0,0|3,0,1]=4 68 B16R0.303 C#CCCCCCCCOCCCCCCN 34a_100000686447_100153394163 [0,0,0,0,0,0|3,0,1]=4 69 B16R0.303 C#CCCCCCCCOCCCCCCO 34a_100000054614_100000766143 [0,0,0,0,0,0|3,0,1]=4 70 B16R0.303 C#CCCCCCCCOCCCCCCO 7a_100000054614_100000766143 [0,0,0,0,0,0|3,0,1]=4 71 B16R0.303 C#CCCCCCCCOCCCCCNC 34a_100000722520_100153394163 [0,0,0,0,0,0|3,0,1]=4 72 B16R0.303 C#CCCCCCCCOCCOCCCC 34a_100000054614_100000743108 [0,0,0,0,0,0|3,0,1]=4 73 B16R0.303 C#CCCCCCCCOCCOCCCC 34a_100000210238_100153394163 [0,0,0,0,0,0|3,0,1]=4 74 B16R0.303 C#CCCCCCCCOCCOCCCC 7a_100000054614_100000743108 [0,0,0,0,0,0|3,0,1]=4 75 B16R0.303 C#CCCCCCCCOCCOCCCC 7a_100000210238_100153394163 [0,0,0,0,0,0|3,0,1]=4 76 B16R0.303 C#CCCCCCCCOCCSCCCC 34a_200000230436_100153394163 [0,0,0,0,0,0|3,0,1]=4 77 B16R0.303 C#CCCCCCCCOCCSCCCC 7a_200000230436_100153394163 [0,0,0,0,0,0|3,0,1]=4 78 B16R0.303 C#CCCCCCCCSCCCCCC=O 62a_100000139337_100153394163 [0,0,0,0,0,0|1,0,2]=3 79 B16R0.303 C#CCCCCCCCSCCCCCC=O 62a_100153394163_100000139337 [0,0,0,0,0,0|1,0,2]=3 80 B16R0.303 C#CCCCCCCCSCCCCCCO 62a_100000766143_100153394163 [0,0,0,0,0,0|3,0,1]=4 81 B16R0.303 C#CCCCCCCCSCCCCCCO 62a_100153394163_100000766143 [0,0,0,0,0,0|3,0,1]=4 82 B16R0.303 C#CCCCCCCCSCCOCCCC 62a_100000743108_100153394163 [0,0,0,0,0,0|3,0,1]=4 83 B16R0.303 C#CCCCCCCCSCCOCCCC 62a_100153394163_100000743108 [0,0,0,0,0,0|3,0,1]=4 84 B16R0.303 C#CCCCCCCNCCCCCCCC 2230a_100000229939_100012276617 [0,0,0,0,0,0|2,0,1]=3 85 B16R0.303 C#CCCCCCCNCCCCCCCC 34a_100000229939_100012276617 [0,0,0,0,0,0|2,0,1]=3 86 B16R0.303 C#CCCCCCCNCCCCCCCO 2230a_100011996573_100012276617 [0,0,0,0,0,0|3,0,1]=4 87 B16R0.303 C#CCCCCCCNCCCCCCCO 34a_100011996573_100012276617 [0,0,0,0,0,0|3,0,1]=4 88 B16R0.303 C#CCCCCCCNCCCOCCCC 2230a_200000211371_100012276617 [0,0,0,0,0,0|3,0,1]=4 89 B16R0.303 C#CCCCCCCNCCCOCCCC 34a_200000211371_100012276617 [0,0,0,0,0,0|3,0,1]=4 90 B16R0.303 C#CCCCCCCOCCCCCCC=C 34a_100011217361_100011215473 [0,0,0,0,0,0|2,0,2]=4 91 B16R0.303 C#CCCCCCCOCCCCCCC=C 34a_200011216477_100012276617 [0,0,0,0,0,0|2,0,2]=4 92 B16R0.303 C#CCCCCCCOCCCCCCC=C 7a_100011217361_100011215473 [0,0,0,0,0,0|2,0,2]=4 93 B16R0.303 C#CCCCCCCOCCCCCCC=C 7a_200011216477_100012276617 [0,0,0,0,0,0|2,0,2]=4 94 B16R0.303 C#CCCCCCCOCCCCCCCBr 34a_100000760002_100012276617 [0,0,0,0,0,0|3,0,1]=4 95 B16R0.303 C#CCCCCCCOCCCCCCCBr 7a_100000760002_100012276617 [0,0,0,0,0,0|3,0,1]=4 96 B16R0.303 C#CCCCCCCOCCCCCCCC 34a_100000210232_100012276617 [0,0,0,0,0,0|2,0,1]=3 97 B16R0.303 C#CCCCCCCOCCCCCCCC 34a_100011217361_100000210759 [0,0,0,0,0,0|2,0,1]=3 98 B16R0.303 C#CCCCCCCOCCCCCCCC 7a_100000210232_100012276617 [0,0,0,0,0,0|2,0,1]=3 99 B16R0.303 C#CCCCCCCOCCCCCCCC 7a_100011217361_100000210759 [0,0,0,0,0,0|2,0,1]=3 100 B16R0.303 C#CCCCCCCOCCCCCCCN 34a_100011996573_100012276617 [0,0,0,0,0,0|3,0,1]=4 101 B16R0.303 C#CCCCCCCOCCCCCCCO 34a_100011217361_100000760002 [0,0,0,0,0,0|3,0,1]=4 102 B16R0.303 C#CCCCCCCOCCCCCCCO 7a_100011217361_100000760002 [0,0,0,0,0,0|3,0,1]=4 103 B16R0.303 C#CCCCCCCOCCCCCCOC 34a_100011217361_100011998445 [0,0,0,0,0,0|3,0,1]=4 104 B16R0.303 C#CCCCCCCOCCCCCCOC 34a_200012092642_100012276617 [0,0,0,0,0,0|3,0,1]=4 105 B16R0.303 C#CCCCCCCOCCCCCCOC 7a_100011217361_100011998445 [0,0,0,0,0,0|3,0,1]=4 106 B16R0.303 C#CCCCCCCOCCCCCCOC 7a_200012092642_100012276617 [0,0,0,0,0,0|3,0,1]=4 107 B16R0.303 C#CCCCCCCOCCCOCCCC 34a_200011215613_100012276617 [0,0,0,0,0,0|3,0,1]=4 108 B16R0.303 C#CCCCCCCOCCCOCCCC 7a_200011215613_100012276617 [0,0,0,0,0,0|3,0,1]=4 109 B16R0.303 C#CCCCCCCOCCNCCCCC 34a_100000224656_100012276617 [0,0,0,0,0,0|3,0,1]=4 110 B16R0.303 C#CCCCCCCOCCOCCCCC 34a_100011215259_100012276617 [0,0,0,0,0,0|3,0,1]=4 111 B16R0.303 C#CCCCCCCOCCOCCCCC 7a_100011215259_100012276617 [0,0,0,0,0,0|3,0,1]=4 112 B16R0.303 C#CCCCCCCSCCCCCCCO 62a_100000760002_100012276617 [0,0,0,0,0,0|3,0,1]=4 113 B16R0.303 C#CCCCCCCSCCCCCCCO 62a_100012276617_100000760002 [0,0,0,0,0,0|3,0,1]=4 114 B16R0.303 C#CCCCCCCSCCCCCCOC 62a_100011998445_100012276617 [0,0,0,0,0,0|3,0,1]=4 115 B16R0.303 C#CCCCCCCSCCCCCCOC 62a_100012276617_100011998445 [0,0,0,0,0,0|3,0,1]=4 116 B16R0.303 C#CCCCCCNCCCCCCCCC 2230a_100000212291_100012094781 [0,0,0,0,0,0|2,0,1]=3 117 B16R0.303 C#CCCCCCNCCCCCCCCC 34a_100000212291_100012094781 [0,0,0,0,0,0|2,0,1]=3 118 B16R0.303 C#CCCCCCNCCCCCCCCO 2230a_102515433106_100012094781 [0,0,0,0,0,0|3,0,1]=4 119 B16R0.303 C#CCCCCCNCCCCCCCCO 34a_102515433106_100012094781 [0,0,0,0,0,0|3,0,1]=4 120 B16R0.303 C#CCCCCCOCCCCCCCC=C 34a_100000730831_100012094781 [0,0,0,0,0,0|2,0,2]=4 121 B16R0.303 C#CCCCCCOCCCCCCCC=C 34a_100000766912_100012355270 [0,0,0,0,0,0|2,0,2]=4 122 B16R0.303 C#CCCCCCOCCCCCCCC=C 7a_100000730831_100012094781 [0,0,0,0,0,0|2,0,2]=4 123 B16R0.303 C#CCCCCCOCCCCCCCC=C 7a_100000766912_100012355270 [0,0,0,0,0,0|2,0,2]=4 124 B16R0.303 C#CCCCCCOCCCCCCCCBr 34a_100009813846_100012094781 [0,0,0,0,0,0|3,0,1]=4 125 B16R0.303 C#CCCCCCOCCCCCCCCBr 7a_100009813846_100012094781 [0,0,0,0,0,0|3,0,1]=4 126 B16R0.303 C#CCCCCCOCCCCCCCCC 34a_100000210712_100012094781 [0,0,0,0,0,0|2,0,1]=3 127 B16R0.303 C#CCCCCCOCCCCCCCCC 34a_100000766912_100011214924 [0,0,0,0,0,0|2,0,1]=3 128 B16R0.303 C#CCCCCCOCCCCCCCCC 7a_100000210712_100012094781 [0,0,0,0,0,0|2,0,1]=3 129 B16R0.303 C#CCCCCCOCCCCCCCCC 7a_100000766912_100000210328 [0,0,0,0,0,0|2,0,1]=3 130 B16R0.303 C#CCCCCCOCCCCCCCCCl 34a_100000033203_100012094781 [0,0,0,0,0,0|3,0,1]=4 131 B16R0.303 C#CCCCCCOCCCCCCCCCl 7a_100000033203_100012094781 [0,0,0,0,0,0|3,0,1]=4 132 B16R0.303 C#CCCCCCOCCCCCCCCN 34a_102515433106_100012094781 [0,0,0,0,0,0|3,0,1]=4 133 B16R0.303 C#CCCCCCOCCCCCCCCO 34a_100000766912_100000033203 [0,0,0,0,0,0|3,0,1]=4 134 B16R0.303 C#CCCCCCOCCCCCCCCO 7a_100000766912_100000033203 [0,0,0,0,0,0|3,0,1]=4 135 B16R0.303 C#CCCCCCOCCCCNCCCC 34a_200011216965_100012094781 [0,0,0,0,0,0|3,0,1]=4 136 B16R0.303 C#CCCCCCOCCCCOCCCC 34a_200000760531_100012094781 [0,0,0,0,0,0|3,0,1]=4 137 B16R0.303 C#CCCCCCOCCCCOCCCC 7a_200000760531_100012094781 [0,0,0,0,0,0|3,0,1]=4 138 B16R0.303 C#CCCCCCOCCOCCCCCC 34a_100000691444_100012094781 [0,0,0,0,0,0|3,0,1]=4 139 B16R0.303 C#CCCCCCOCCOCCCCCC 7a_100000691444_100012094781 [0,0,0,0,0,0|3,0,1]=4 140 B16R0.303 C#CCCCCCSCCCCCCCCO 62a_100000033203_100012094781 [0,0,0,0,0,0|3,0,1]=4 141 B16R0.303 C#CCCCCCSCCCCCCCCO 62a_100012094781_100000033203 [0,0,0,0,0,0|3,0,1]=4 142 B16R0.303 C#CCCCCNCCCCCCCCC=C 2230a_100000706060_100011933949 [0,0,0,0,0,0|2,0,2]=4 143 B16R0.303 C#CCCCCNCCCCCCCCC=C 34a_100000706060_100011933949 [0,0,0,0,0,0|2,0,2]=4 144 B16R0.303 C#CCCCCNCCCCCCCCCC 2230a_100000684558_100010269958 [0,0,0,0,0,0|2,0,1]=3 145 B16R0.303 C#CCCCCNCCCCCCCCCC 2230a_100000706060_100000210320 [0,0,0,0,0,0|2,0,1]=3 146 B16R0.303 C#CCCCCNCCCCCCCCCC 34a_100000684558_100010269958 [0,0,0,0,0,0|2,0,1]=3 147 B16R0.303 C#CCCCCNCCCCCCCCCC 34a_100000706060_100000210320 [0,0,0,0,0,0|2,0,1]=3 148 B16R0.303 C#CCCCCNCCCCCCCCCO 2230a_100000078944_100010269958 [0,0,0,0,0,0|3,0,1]=4 149 B16R0.303 C#CCCCCNCCCCCCCCCO 2230a_100000706060_100009813782 [0,0,0,0,0,0|3,0,1]=4 150 B16R0.303 C#CCCCCNCCCCCCCCCO 34a_100000078944_100010269958 [0,0,0,0,0,0|3,0,1]=4 151 B16R0.303 C#CCCCCNCCCCCCCCCO 34a_100000706060_100009813782 [0,0,0,0,0,0|3,0,1]=4 152 B16R0.303 C#CCCCCOCCCCCCCCC=C 34a_100000766709_100011933949 [0,0,0,0,0,0|2,0,2]=4 153 B16R0.303 C#CCCCCOCCCCCCCCC=C 34a_100011215194_100010269958 [0,0,0,0,0,0|2,0,2]=4 154 B16R0.303 C#CCCCCOCCCCCCCCC=C 7a_100000766709_100011933949 [0,0,0,0,0,0|2,0,2]=4 155 B16R0.303 C#CCCCCOCCCCCCCCC=C 7a_100011215194_100010269958 [0,0,0,0,0,0|2,0,2]=4 156 B16R0.303 C#CCCCCOCCCCCCCCCBr 34a_100009813782_100010269958 [0,0,0,0,0,0|3,0,1]=4 157 B16R0.303 C#CCCCCOCCCCCCCCCBr 7a_100009813782_100010269958 [0,0,0,0,0,0|3,0,1]=4 158 B16R0.303 C#CCCCCOCCCCCCCCCC 34a_100000210711_100010269958 [0,0,0,0,0,0|2,0,1]=3 159 B16R0.303 C#CCCCCOCCCCCCCCCC 34a_100000766709_100000210320 [0,0,0,0,0,0|2,0,1]=3 160 B16R0.303 C#CCCCCOCCCCCCCCCC 7a_100000210711_100010269958 [0,0,0,0,0,0|2,0,1]=3 161 B16R0.303 C#CCCCCOCCCCCCCCCC 7a_100000766709_100000210320 [0,0,0,0,0,0|2,0,1]=3 162 B16R0.303 C#CCCCCOCCCCCCCCCCl 34a_100009868337_100010269958 [0,0,0,0,0,0|3,0,1]=4 163 B16R0.303 C#CCCCCOCCCCCCCCCCl 7a_100009868337_100010269958 [0,0,0,0,0,0|3,0,1]=4 164 B16R0.303 C#CCCCCOCCCCCCCCCN 34a_100000078944_100010269958 [0,0,0,0,0,0|3,0,1]=4 165 B16R0.303 C#CCCCCOCCCCCCCCCO 34a_100000766709_100009813782 [0,0,0,0,0,0|3,0,1]=4 166 B16R0.303 C#CCCCCOCCCCCCCCCO 7a_100000766709_100009813782 [0,0,0,0,0,0|3,0,1]=4 167 B16R0.303 C#CCCCCSCCCCCCCCCO 62a_100009813782_100010269958 [0,0,0,0,0,0|3,0,1]=4 168 B16R0.303 C#CCCCCSCCCCCCCCCO 62a_100010269958_100009813782 [0,0,0,0,0,0|3,0,1]=4 169 B16R0.303 C#CCCCNCCCCCCCCCC=C 2230a_100000081888_100000731252 [0,0,0,0,0,0|2,0,2]=4 170 B16R0.303 C#CCCCNCCCCCCCCCC=C 34a_100000081888_100000695029 [0,0,0,0,0,0|2,0,2]=4 171 B16R0.303 C#CCCCNCCCCCCCCCC=C 34a_100000718082_100009814027 [0,0,0,0,0,0|2,0,2]=4 172 B16R0.303 C#CCCCNCCCCCCCCCCC 2230a_200011215754_100000731252 [0,0,0,0,0,0|2,0,1]=3 173 B16R0.303 C#CCCCNCCCCCCCCCCC 34a_100000718082_100011215454 [0,0,0,0,0,0|2,0,1]=3 174 B16R0.303 C#CCCCNCCCCCCCCCCC 34a_200011215754_100000695029 [0,0,0,0,0,0|2,0,1]=3 175 B16R0.303 C#CCCCNCCCCCCCCCCO 2230a_100000066964_100000731252 [0,0,0,0,0,0|3,0,1]=4 176 B16R0.303 C#CCCCNCCCCCCCCCCO 34a_100000066964_100000695029 [0,0,0,0,0,0|3,0,1]=4 177 B16R0.303 C#CCCCNCCCCCCCCCCO 34a_100000718082_100009813290 [0,0,0,0,0,0|3,0,1]=4 178 B16R0.303 C#CCCCOCCCCCCCCCC=C 34a_100000038209_100000695029 [0,0,0,0,0,0|2,0,2]=4 179 B16R0.303 C#CCCCOCCCCCCCCCC=C 34a_100000215630_100009814027 [0,0,0,0,0,0|2,0,2]=4 180 B16R0.303 C#CCCCOCCCCCCCCCC=C 7a_100000038209_100011215417 [0,0,0,0,0,0|2,0,2]=4 181 B16R0.303 C#CCCCOCCCCCCCCCC=C 7a_100000215630_100009814027 [0,0,0,0,0,0|2,0,2]=4 182 B16R0.303 C#CCCCOCCCCCCCCCCBr 34a_100009813290_100000695029 [0,0,0,0,0,0|3,0,1]=4 183 B16R0.303 C#CCCCOCCCCCCCCCCBr 7a_100009813290_100011215417 [0,0,0,0,0,0|3,0,1]=4 184 B16R0.303 C#CCCCOCCCCCCCCCCC 34a_100000210809_100000695029 [0,0,0,0,0,0|2,0,1]=3 185 B16R0.303 C#CCCCOCCCCCCCCCCC 34a_100000215630_100011215454 [0,0,0,0,0,0|2,0,1]=3 186 B16R0.303 C#CCCCOCCCCCCCCCCC 7a_100000210809_100011215417 [0,0,0,0,0,0|2,0,1]=3 187 B16R0.303 C#CCCCOCCCCCCCCCCC 7a_100000215630_100011215454 [0,0,0,0,0,0|2,0,1]=3 188 B16R0.303 C#CCCCOCCCCCCCCCCCl 34a_200000033068_100000695029 [0,0,0,0,0,0|3,0,1]=4 189 B16R0.303 C#CCCCOCCCCCCCCCCCl 7a_200000033068_100011215417 [0,0,0,0,0,0|3,0,1]=4 190 B16R0.303 C#CCCCOCCCCCCCCCCN 34a_100000066964_100000695029 [0,0,0,0,0,0|3,0,1]=4 191 B16R0.303 C#CCCCOCCCCCCCCCCO 34a_100000215630_100009813290 [0,0,0,0,0,0|3,0,1]=4 192 B16R0.303 C#CCCCOCCCCCCCCCCO 7a_100000215630_100009813290 [0,0,0,0,0,0|3,0,1]=4 193 B16R0.303 C#CCCCSCCCCCCCCCCO 62a_100009813290_100011215417 [0,0,0,0,0,0|3,0,1]=4 194 B16R0.303 C#CCCCSCCCCCCCCCCO 62a_100011215417_200000033068 [0,0,0,0,0,0|3,0,1]=4 195 B16R0.303 C#CCCNCCCCCCCCCCC=C 34a_100000755551_100011093070 [0,0,0,0,0,0|2,0,2]=4 196 B16R0.303 C#CCCNCCCCCCCCCCCC 2230a_100000210451_100000688953 [0,0,0,0,0,0|2,0,1]=3 197 B16R0.303 C#CCCNCCCCCCCCCCCC 34a_100000210451_100000688953 [0,0,0,0,0,0|2,0,1]=3 198 B16R0.303 C#CCCNCCCCCCCCCCCC 34a_100000755551_100000759014 [0,0,0,0,0,0|2,0,1]=3 199 B16R0.303 C#CCCNCCCCCCCCCCCO 34a_100000755551_100009812471 [0,0,0,0,0,0|3,0,1]=4 200 B16R0.303 C#CCCOCCCCCCCCCCC=C 34a_100011215631_100011093070 [0,0,0,0,0,0|2,0,2]=4 201 B16R0.303 C#CCCOCCCCCCCCCCCBr 34a_100009812471_100000688953 [0,0,0,0,0,0|3,0,1]=4 202 B16R0.303 C#CCCOCCCCCCCCCCCBr 7a_100009812471_100000688953 [0,0,0,0,0,0|3,0,1]=4 203 B16R0.303 C#CCCOCCCCCCCCCCCC 34a_100000210810_100000688953 [0,0,0,0,0,0|2,0,1]=3 204 B16R0.303 C#CCCOCCCCCCCCCCCC 34a_100011215631_100000759014 [0,0,0,0,0,0|2,0,1]=3 205 B16R0.303 C#CCCOCCCCCCCCCCCC 7a_100000210810_100000688953 [0,0,0,0,0,0|2,0,1]=3 206 B16R0.303 C#CCCOCCCCCCCCCCCO 34a_100011215631_100009812471 [0,0,0,0,0,0|3,0,1]=4 207 B16R0.303 C#CCCOCCCCCCCCCOCC 34a_100009875440_100000688953 [0,0,0,0,0,0|3,0,1]=4 208 B16R0.303 C#CCCOCCCCCCCCCOCC 7a_100009875440_100000688953 [0,0,0,0,0,0|3,0,1]=4 209 B16R0.303 C#CCCSCCCCCCCCCCCO 62a_100009812471_100000688953 [0,0,0,0,0,0|3,0,1]=4 210 B16R0.303 C#CCNCCCCCCCCCCCC=C 34a_100000212058_102130925996 [0,0,0,0,0,0|2,0,2]=4 211 B16R0.303 C#CCNCCCCCCCCCCCCC 2230a_100011215765_100000038162 [0,0,0,0,0,0|2,0,1]=3 212 B16R0.303 C#CCNCCCCCCCCCCCCC 34a_100000212058_100000210684 [0,0,0,0,0,0|2,0,1]=3 213 B16R0.303 C#CCNCCCCCCCCCCCCC 34a_100011215765_100000184674 [0,0,0,0,0,0|2,0,1]=3 214 B16R0.303 C#CCNCCCCCCCCCCCCO 2230a_100000066677_100000038162 [0,0,0,0,0,0|3,0,1]=4 215 B16R0.303 C#CCNCCCCCCCCCCCCO 34a_100000066677_100000184674 [0,0,0,0,0,0|3,0,1]=4 216 B16R0.303 C#CCNCCCCCCCCCCCCO 34a_100000212058_100009813331 [0,0,0,0,0,0|3,0,1]=4 217 B16R0.303 C#CCOCCCCCCCCCCCC=C 34a_100000210247_102130925996 [0,0,0,0,0,0|2,0,2]=4 218 B16R0.303 C#CCOCCCCCCCCCCCCBr 34a_100009813331_100000184674 [0,0,0,0,0,0|3,0,1]=4 219 B16R0.303 C#CCOCCCCCCCCCCCCBr 7a_100009813331_100000038162 [0,0,0,0,0,0|3,0,1]=4 220 B16R0.303 C#CCOCCCCCCCCCCCCC 34a_100000185773_100000184674 [0,0,0,0,0,0|2,0,1]=3 221 B16R0.303 C#CCOCCCCCCCCCCCCC 34a_100000210247_100000210684 [0,0,0,0,0,0|2,0,1]=3 222 B16R0.303 C#CCOCCCCCCCCCCCCC 7a_100000185773_100000038162 [0,0,0,0,0,0|2,0,1]=3 223 B16R0.303 C#CCOCCCCCCCCCCCCN 34a_100000066677_100000184674 [0,0,0,0,0,0|3,0,1]=4 224 B16R0.303 C#CCOCCCCCCCCCCCCO 34a_100000210247_100009813331 [0,0,0,0,0,0|3,0,1]=4 225 B16R0.303 C#CCOCCCCCCOCCCCC=O 7a_200011021349_100000139335 [0,0,0,0,0,0|2,0,2]=4 226 B16R0.303 C#CCOCCCCCCOCCCCCC 34a_200011021349_100000210314 [0,0,0,0,0,0|3,0,1]=4 227 B16R0.303 C#CCOCCCCCCOCCCCCC 7a_200011021349_100000210314 [0,0,0,0,0,0|3,0,1]=4 228 B16R0.303 C#CCOCCNCCCCCCCCCC 2230a_100000684558_100010402529 [0,0,0,0,0,0|3,0,1]=4 229 B16R0.303 C#CCOCCNCCCCCCCCCC 2230a_100000700922_100000210320 [0,0,0,0,0,0|3,0,1]=4 230 B16R0.303 C#CCOCCNCCCCCCCCCC 34a_100000684558_100010402529 [0,0,0,0,0,0|3,0,1]=4 231 B16R0.303 C#CCOCCNCCCCCCCCCC 34a_100000700922_100000210320 [0,0,0,0,0,0|3,0,1]=4 232 B16R0.303 C#CCOCCOCCCCCCCCCC 34a_100000054580_100000210320 [0,0,0,0,0,0|3,0,1]=4 233 B16R0.303 C#CCOCCOCCCCCCCCCC 34a_100000210711_100010402529 [0,0,0,0,0,0|3,0,1]=4 234 B16R0.303 C#CCOCCOCCCCCCCCCC 7a_100000054580_100000210320 [0,0,0,0,0,0|3,0,1]=4 235 B16R0.303 C#CCOCCOCCCCCCCCCC 7a_100000210711_100010402529 [0,0,0,0,0,0|3,0,1]=4 236 B16R0.303 C#CCOCCSCCCCCCCCCC 34a_100011628728_100000184674 [0,0,0,0,0,0|3,0,1]=4 237 B16R0.303 C#CCOCCSCCCCCCCCCC 62a_100010402529_100000210320 [0,0,0,0,0,0|3,0,1]=4 238 B16R0.303 C#CCOCCSCCCCCCCCCC 7a_100011628728_100000038162 [0,0,0,0,0,0|3,0,1]=4 239 B16R0.303 C/C=C/CCOCCCCCCCCCCO 34a_100016278192_100009813290 [0,0,0,0,0,0|3,0,1]=4 240 B16R0.303 C/C=C/COCCCCCCCCCCCO 34a_100016270725_100009812471 [0,0,0,0,0,0|3,0,1]=4 241 B16R0.303 C/C=C/COCCCCCCCCCOCC 34a_100009875440_100102629194 [0,0,0,0,0,0|3,0,1]=4 242 B16R0.303 C/C=C/COCCCCCCCCCOCC 7a_100009875440_100102629194 [0,0,0,0,0,0|3,0,1]=4 243 B16R0.303 C/C=C/CSCCCCCCCCCCCO 62a_100009812471_100102629194 [0,0,0,0,0,0|3,0,1]=4 244 B16R0.303 C=CCCCCCCCCC=NNCCCC 4a_100025702795_100000039675 [0,0,0,0,0,0|3,0,1]=4 245 B16R0.303 C=CCCCCCCCCCCCNCC=C 2230a_100020586998_102130925996 [0,0,0,0,0,0|2,0,2]=4 246 B16R0.303 C=CCCCCCCCCCCCNCCF 34a_100000724931_102130925996 [0,0,0,0,0,0|3,0,0]=3 247 B16R0.303 C=CCCCCCCCCCCCNCCO 2230a_100016997473_102130925996 [0,0,0,0,0,0|3,0,0]=3 248 B16R0.303 C=CCCCCCCCCCCCNCCO 34a_100016990907_102130925996 [0,0,0,0,0,0|3,0,0]=3 249 B16R0.303 C=CCCCCCCCCCCCOCCN 34a_100000210304_102130925996 [0,0,0,0,0,0|3,0,0]=3 250 B16R0.303 C=CCCCCCCCCCCCSCCO 62a_100000211926_102130925996 [0,0,0,0,0,0|3,0,0]=3 251 B16R0.303 C=CCCCCCCCCCCCSCCO 62a_102130925996_100000211926 [0,0,0,0,0,0|3,0,0]=3 252 B16R0.303 C=CCCCCCCCCCCNCC#CC 2230a_100000685387_100011093070 [0,0,0,0,0,0|2,0,2]=4 253 B16R0.303 C=CCCCCCCCCCCNCC#CC 34a_100000685387_100011093070 [0,0,0,0,0,0|2,0,2]=4 254 B16R0.303 C=CCCCCCCCCCCNCCC=C 2230a_100015191253_100011093070 [0,0,0,0,0,0|2,0,2]=4 255 B16R0.303 C=CCCCCCCCCCCNCCCF 2230a_100015189416_100011093070 [0,0,0,0,0,0|3,0,0]=3 256 B16R0.303 C=CCCCCCCCCCCNCCCF 34a_100015189416_100011093070 [0,0,0,0,0,0|3,0,0]=3 257 B16R0.303 C=CCCCCCCCCCCNCCOC 2230a_100000209980_100011093070 [0,0,0,0,0,0|3,0,0]=3 258 B16R0.303 C=CCCCCCCCCCCNCCSC 2230a_100020590264_100011093070 [0,0,0,0,0,0|3,0,0]=3 259 B16R0.303 C=CCCCCCCCCCCOCC#CC 34a_100000761923_100011093070 [0,0,0,0,0,0|2,0,2]=4 260 B16R0.303 C=CCCCCCCCCCCOCCCN 34a_100000182051_100011093070 [0,0,0,0,0,0|3,0,0]=3 261 B16R0.303 C=CCCCCCCCCCCOCCOC 34a_100000210237_100011093070 [0,0,0,0,0,0|3,0,0]=3 262 B16R0.303 C=CCCCCCCCCCCOCCON 34a_100000700252_100011093070 [0,0,0,0,0,0|4,0,0]=4 263 B16R0.303 C=CCCCCCCCCCCSCCCO 62a_100011093070_100011215043 [0,0,0,0,0,0|3,0,0]=3 264 B16R0.303 C=CCCCCCCCCCCSCCCO 62a_100011215043_100011093070 [0,0,0,0,0,0|3,0,0]=3 265 B16R0.303 C=CCCCCCCCCCNC/C=C\CC 2230a_100000081888_100103147603 [0,0,0,0,0,0|2,0,2]=4 266 B16R0.303 C=CCCCCCCCCCNC/C=C\CC 34a_100000081888_100103147603 [0,0,0,0,0,0|2,0,2]=4 267 B16R0.303 C=CCCCCCCCCCNCC#CCC 2230a_100000081888_100009813939 [0,0,0,0,0,0|2,0,2]=4 268 B16R0.303 C=CCCCCCCCCCNCC#CCC 34a_100000081888_100009813939 [0,0,0,0,0,0|2,0,2]=4 269 B16R0.303 C=CCCCCCCCCCNCCCC#N 2230a_100000081888_100000687738 [0,0,0,0,0,0|3,0,1]=4 270 B16R0.303 C=CCCCCCCCCCNCCCC=C 2230a_100000081888_100011713584 [0,0,0,0,0,0|2,0,2]=4 271 B16R0.303 C=CCCCCCCCCCNCCCC=C 2230a_100000700776_100009814027 [0,0,0,0,0,0|2,0,2]=4 272 B16R0.303 C=CCCCCCCCCCNCCCC=C 34a_100000081888_100000757094 [0,0,0,0,0,0|2,0,2]=4 273 B16R0.303 C=CCCCCCCCCCNCCCC=C 34a_100000700776_100009814027 [0,0,0,0,0,0|2,0,2]=4 274 B16R0.303 C=CCCCCCCCCCNCCCC=O 2230a_100000081888_200011292268 [0,0,0,0,0,0|1,0,2]=3 275 B16R0.303 C=CCCCCCCCCCNCCCCF 2230a_100000081888_100000729493 [0,0,0,0,0,0|3,0,0]=3 276 B16R0.303 C=CCCCCCCCCCNCCCCF 34a_100000081888_100000729493 [0,0,0,0,0,0|3,0,0]=3 277 B16R0.303 C=CCCCCCCCCCNCCCCO 2230a_100000081888_100000210776 [0,0,0,0,0,0|3,0,0]=3 278 B16R0.303 C=CCCCCCCCCCNCCCCO 2230a_100000750430_100009814027 [0,0,0,0,0,0|3,0,0]=3 279 B16R0.303 C=CCCCCCCCCCNCCCCO 34a_100000081888_100011216708 [0,0,0,0,0,0|3,0,0]=3 280 B16R0.303 C=CCCCCCCCCCNCCCCO 34a_100000750430_100009814027 [0,0,0,0,0,0|3,0,0]=3 281 B16R0.303 C=CCCCCCCCCCNCCCOC 2230a_100000081888_100000740836 [0,0,0,0,0,0|3,0,0]=3 282 B16R0.303 C=CCCCCCCCCCNCCCOC 34a_100000081888_100000740836 [0,0,0,0,0,0|3,0,0]=3 283 B16R0.303 C=CCCCCCCCCCNCCCOC 34a_100150723488_100009814027 [0,0,0,0,0,0|3,0,0]=3 284 B16R0.303 C=CCCCCCCCCCNCCCSC 2230a_100000749238_100009814027 [0,0,0,0,0,0|3,0,0]=3 285 B16R0.303 C=CCCCCCCCCCNCCOCC 2230a_100000081888_100011215890 [0,0,0,0,0,0|3,0,0]=3 286 B16R0.303 C=CCCCCCCCCCNCCOCC 2230a_102516460346_100009814027 [0,0,0,0,0,0|3,0,0]=3 287 B16R0.303 C=CCCCCCCCCCNCCOCC 34a_100000081888_100000210147 [0,0,0,0,0,0|3,0,0]=3 288 B16R0.303 C=CCCCCCCCCCNCCOCC 34a_102516460346_100009814027 [0,0,0,0,0,0|3,0,0]=3 289 B16R0.303 C=CCCCCCCCCCNCCSCC 2230a_100000081888_100000757381 [0,0,0,0,0,0|3,0,0]=3 290 B16R0.303 C=CCCCCCCCCCNCCSCC 2230a_100000106463_100009814027 [0,0,0,0,0,0|3,0,0]=3 291 B16R0.303 C=CCCCCCCCCCNCCSCC 34a_100000081888_100000757381 [0,0,0,0,0,0|3,0,0]=3 292 B16R0.303 C=CCCCCCCCCCOCC#CCC 34a_100000032950_100009814027 [0,0,0,0,0,0|2,0,2]=4 293 B16R0.303 C=CCCCCCCCCCOCC#CCC 34a_100000038209_100009813939 [0,0,0,0,0,0|2,0,2]=4 294 B16R0.303 C=CCCCCCCCCCOCC#CCC 7a_100000038209_100009813939 [0,0,0,0,0,0|2,0,2]=4 295 B16R0.303 C=CCCCCCCCCCOCCC#CC 34a_100000750427_100009814027 [0,0,0,0,0,0|2,0,2]=4 296 B16R0.303 C=CCCCCCCCCCOCCCC#N 7a_100000038209_100000687738 [0,0,0,0,0,0|3,0,1]=4 297 B16R0.303 C=CCCCCCCCCCOCCCC=O 7a_100000038209_200011292268 [0,0,0,0,0,0|1,0,2]=3 298 B16R0.303 C=CCCCCCCCCCOCCCCN 34a_100000750430_100009814027 [0,0,0,0,0,0|3,0,0]=3 299 B16R0.303 C=CCCCCCCCCCOCCCCO 34a_100000038209_100011216708 [0,0,0,0,0,0|3,0,0]=3 300 B16R0.303 C=CCCCCCCCCCOCCCCO 7a_100000038209_100000210776 [0,0,0,0,0,0|3,0,0]=3 301 B16R0.303 C=CCCCCCCCCCOCCCNC 34a_100000213112_100009814027 [0,0,0,0,0,0|3,0,0]=3 302 B16R0.303 C=CCCCCCCCCCOCCCOC 34a_100000038209_100000740836 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C=CCCCCCCCNCCCCCCO 2230a_100000686447_100012355270 [0,0,0,0,0,0|3,0,0]=3 362 B16R0.303 C=CCCCCCCCNCCCCCCO 34a_100000686447_100012355270 [0,0,0,0,0,0|3,0,0]=3 363 B16R0.303 C=CCCCCCCCNCCCCCOC 2230a_100000747528_100012355270 [0,0,0,0,0,0|3,0,0]=3 364 B16R0.303 C=CCCCCCCCNCCCCCOC 34a_100000747528_100012355270 [0,0,0,0,0,0|3,0,0]=3 365 B16R0.303 C=CCCCCCCCNCCCOCCC 2230a_100011217757_100012355270 [0,0,0,0,0,0|3,0,0]=3 366 B16R0.303 C=CCCCCCCCNCCCOCCC 34a_100011217757_100012355270 [0,0,0,0,0,0|3,0,0]=3 367 B16R0.303 C=CCCCCCCCNCCOCCOC 2230a_100000745349_100012355270 [0,0,0,0,0,0|4,0,0]=4 368 B16R0.303 C=CCCCCCCCNCCOCCOC 34a_100000745349_100012355270 [0,0,0,0,0,0|4,0,0]=4 369 B16R0.303 C=CCCCCCCCNCCSCCCC 2230a_100025743550_100012355270 [0,0,0,0,0,0|3,0,0]=3 370 B16R0.303 C=CCCCCCCCOCC#CCCCC 34a_200000034558_100012355270 [0,0,0,0,0,0|2,0,2]=4 371 B16R0.303 C=CCCCCCCCOCC#CCCCC 7a_200000034558_100012355270 [0,0,0,0,0,0|2,0,2]=4 372 B16R0.303 C=CCCCCCCCOCCC#CCCC 34a_100000042726_100012355270 [0,0,0,0,0,0|2,0,2]=4 373 B16R0.303 C=CCCCCCCCOCCC#CCCC 7a_100000042726_100012355270 [0,0,0,0,0,0|2,0,2]=4 374 B16R0.303 C=CCCCCCCCOCCCCCC#N 7a_100000730831_100009813376 [0,0,0,0,0,0|3,0,1]=4 375 B16R0.303 C=CCCCCCCCOCCCCCC=O 7a_100000730831_100000139337 [0,0,0,0,0,0|1,0,2]=3 376 B16R0.303 C=CCCCCCCCOCCCCCCN 34a_100000686447_100012355270 [0,0,0,0,0,0|3,0,0]=3 377 B16R0.303 C=CCCCCCCCOCCCCCCO 34a_100000730831_100000766143 [0,0,0,0,0,0|3,0,0]=3 378 B16R0.303 C=CCCCCCCCOCCCCCCO 7a_100000730831_100000766143 [0,0,0,0,0,0|3,0,0]=3 379 B16R0.303 C=CCCCCCCCOCCCCCNC 34a_100000722520_100012355270 [0,0,0,0,0,0|3,0,0]=3 380 B16R0.303 C=CCCCCCCCOCCOCCCC 34a_100000210238_100012355270 [0,0,0,0,0,0|3,0,0]=3 381 B16R0.303 C=CCCCCCCCOCCOCCCC 34a_100000730831_100000743108 [0,0,0,0,0,0|3,0,0]=3 382 B16R0.303 C=CCCCCCCCOCCOCCCC 7a_100000210238_100012355270 [0,0,0,0,0,0|3,0,0]=3 383 B16R0.303 C=CCCCCCCCOCCOCCCC 7a_100000730831_100000743108 [0,0,0,0,0,0|3,0,0]=3 384 B16R0.303 C=CCCCCCCCOCCOCCNC 34a_100000228057_100012355270 [0,0,0,0,0,0|4,0,0]=4 385 B16R0.303 C=CCCCCCCCOCCOCCOC 34a_100000730831_100000695917 [0,0,0,0,0,0|4,0,0]=4 386 B16R0.303 C=CCCCCCCCOCCOCCOC 34a_100011215163_100012355270 [0,0,0,0,0,0|4,0,0]=4 387 B16R0.303 C=CCCCCCCCOCCOCCOC 7a_100000730831_100000695917 [0,0,0,0,0,0|4,0,0]=4 388 B16R0.303 C=CCCCCCCCOCCOCCOC 7a_100011215163_100012355270 [0,0,0,0,0,0|4,0,0]=4 389 B16R0.303 C=CCCCCCCCSCCCCCCO 62a_100000766143_100012355270 [0,0,0,0,0,0|3,0,0]=3 390 B16R0.303 C=CCCCCCCCSCCCCCCO 62a_100012355270_100000766143 [0,0,0,0,0,0|3,0,0]=3 391 B16R0.303 C=CCCCCCCCSCCOCCOC 62a_100000695917_100012355270 [0,0,0,0,0,0|4,0,0]=4 392 B16R0.303 C=CCCCCCCCSCCOCCOC 62a_100012355270_100000695917 [0,0,0,0,0,0|4,0,0]=4 393 B16R0.303 C=CCCCCCCNCCCCCCCO 2230a_100011996573_100011215473 [0,0,0,0,0,0|3,0,0]=3 394 B16R0.303 C=CCCCCCCNCCCCCCCO 34a_100011996573_100011215473 [0,0,0,0,0,0|3,0,0]=3 395 B16R0.303 C=CCCCCCCNCCCOCCCC 2230a_200000211371_100011215473 [0,0,0,0,0,0|3,0,0]=3 396 B16R0.303 C=CCCCCCCNCCCOCCCC 34a_200000211371_100011215473 [0,0,0,0,0,0|3,0,0]=3 397 B16R0.303 C=CCCCCCCNCCCOCCCO 2230a_100011310245_100011215473 [0,0,0,0,0,0|4,0,0]=4 398 B16R0.303 C=CCCCCCCNCCCOCCCO 34a_100011310245_100011215473 [0,0,0,0,0,0|4,0,0]=4 399 B16R0.303 C=CCCCCCCNCCCOCCOC 2230a_100000206027_100011215473 [0,0,0,0,0,0|4,0,0]=4 400 B16R0.303 C=CCCCCCCNCCCOCCOC 34a_100000206027_100011215473 [0,0,0,0,0,0|4,0,0]=4 401 B16R0.303 C=CCCCCCCNCCOCCOCC 2230a_100102712874_100011215473 [0,0,0,0,0,0|4,0,0]=4 402 B16R0.303 C=CCCCCCCNCCOCCOCC 34a_100102712874_100011215473 [0,0,0,0,0,0|4,0,0]=4 403 B16R0.303 C=CCCCCCCOCC#CCCCCC 34a_200000033628_100011215473 [0,0,0,0,0,0|2,0,2]=4 404 B16R0.303 C=CCCCCCCOCC#CCCCCC 34a_200011216477_100009816472 [0,0,0,0,0,0|2,0,2]=4 405 B16R0.303 C=CCCCCCCOCC#CCCCCC 7a_200000033628_100011215473 [0,0,0,0,0,0|2,0,2]=4 406 B16R0.303 C=CCCCCCCOCC#CCCCCC 7a_200011216477_100009816472 [0,0,0,0,0,0|2,0,2]=4 407 B16R0.303 C=CCCCCCCOCCC#CCCCC 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B16R0.303 CCCCC#CCCCCOCCCCC=O 7a_200000066234_100000139335 [0,0,0,0,0,0|1,0,2]=3 560 B16R0.303 CCCCC#CCCCSCCCCCC=O 62a_100000139337_200000047210 [0,0,0,0,0,0|1,0,2]=3 561 B16R0.303 CCCCC#CCCCSCCCCCC=O 62a_200000047210_100000139337 [0,0,0,0,0,0|1,0,2]=3 562 B16R0.303 CCCCC/C=C\CCCOCCCCC=O 7a_100020655193_100000139335 [0,0,0,0,0,0|1,0,2]=3 563 B16R0.303 CCCCC/C=C\CCOCCCCCC=O 7a_100016277358_100000139337 [0,0,0,0,0,0|1,0,2]=3 564 B16R0.303 CCCCCC#CCCOCCCCCC=O 7a_200000042877_100000139337 [0,0,0,0,0,0|1,0,2]=3 565 B16R0.303 CCCCCC/C=C/COCCCCCC=O 7a_200016276170_100000139337 [0,0,0,0,0,0|1,0,2]=3 566 B16R0.303 CCCCCCC#CCCOCCCCC=O 7a_200000033163_100000139335 [0,0,0,0,0,0|1,0,2]=3 567 B16R0.303 CCCCCCC#CCOCCCCCC=O 7a_200000037284_100000139337 [0,0,0,0,0,0|1,0,2]=3 568 B16R0.303 CCCCCCCC#CCOCCCCC=O 7a_200000061759_100000139335 [0,0,0,0,0,0|1,0,2]=3 569 B16R0.303 CCCCCCCC/C=C/COCCCC=O 7a_200020667288_200011292268 [0,0,0,0,0,0|1,0,2]=3 570 B16R0.303 CCCCCCCCCC/C=C/COCC=O 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B16R0.303 CCCCCCCCCCCCCNCCO 34a_100016990907_100000210684 [0,0,0,0,0,0|1,0,2]=3 583 B16R0.303 CCCCCCCCCCCCCNCOC 2230a_100011215765_100000766300 [0,0,0,0,0,0|3,0,0]=3 584 B16R0.303 CCCCCCCCCCCCCOCC#N 7a_100000185773_100011215382 [0,0,0,0,0,0|2,0,1]=3 585 B16R0.303 CCCCCCCCCCCCCOCC=O 34a_100000185773_200009817547 [0,0,0,0,0,0|1,0,0]=1 586 B16R0.303 CCCCCCCCCCCCCOCC=O 7a_100000185773_200015260668 [0,0,0,0,0,0|1,0,0]=1 587 B16R0.303 CCCCCCCCCCCCCOCCN 34a_100000210304_100000210684 [0,0,0,0,0,0|2,0,1]=3 588 B16R0.303 CCCCCCCCCCCCCOCCO 34a_100000185773_100000211926 [0,0,0,0,0,0|1,0,2]=3 589 B16R0.303 CCCCCCCCCCCCCOCCO 7a_100000185773_100000211926 [0,0,0,0,0,0|1,0,2]=3 590 B16R0.303 CCCCCCCCCCCCNCCC#N 2230a_100000210451_100011215226 [0,0,0,0,0,0|2,0,1]=3 591 B16R0.303 CCCCCCCCCCCCNCCC#N 270004a_100000720768_100011218549 [0,0,0,0,0,0|2,0,1]=3 592 B16R0.303 CCCCCCCCCCCCNCCCF 2230a_100000210451_100011934791 [0,0,0,0,0,0|2,0,1]=3 593 B16R0.303 CCCCCCCCCCCCNCCCF 2230a_100015189416_100011215052 [0,0,0,0,0,0|2,0,1]=3 594 B16R0.303 CCCCCCCCCCCCNCCCF 270004a_100015189416_100011218549 [0,0,0,0,0,0|2,0,1]=3 595 B16R0.303 CCCCCCCCCCCCNCCCF 34a_100000210451_100011934791 [0,0,0,0,0,0|2,0,1]=3 596 B16R0.303 CCCCCCCCCCCCNCCCF 34a_100015189416_100000759014 [0,0,0,0,0,0|2,0,1]=3 597 B16R0.303 CCCCCCCCCCCCNCCCO 2230a_100000210451_100000230001 [0,0,0,0,0,0|1,0,2]=3 598 B16R0.303 CCCCCCCCCCCCNCCCO 270004a_100000182051_100011218549 [0,0,0,0,0,0|1,0,2]=3 599 B16R0.303 CCCCCCCCCCCCNCCCO 34a_100000210451_100000230001 [0,0,0,0,0,0|1,0,2]=3 600 B16R0.303 CCCCCCCCCCCCNCCOC 2230a_100000209980_100011215052 [0,0,0,0,0,0|3,0,0]=3 601 B16R0.303 CCCCCCCCCCCCNCCOC 2230a_100000210451_100011201679 [0,0,0,0,0,0|3,0,0]=3 602 B16R0.303 CCCCCCCCCCCCNCCOC 270004a_100000209980_100011218549 [0,0,0,0,0,0|3,0,0]=3 603 B16R0.303 CCCCCCCCCCCCNCCOC 34a_100000210451_100011201679 [0,0,0,0,0,0|3,0,0]=3 604 B16R0.303 CCCCCCCCCCCCNCCSC 2230a_100000210451_100000751147 [0,0,0,0,0,0|3,0,0]=3 605 B16R0.303 CCCCCCCCCCCCNCCSC 2230a_100020590264_100011215052 [0,0,0,0,0,0|3,0,0]=3 606 B16R0.303 CCCCCCCCCCCCNCCSC 270004a_100020590264_100011218549 [0,0,0,0,0,0|3,0,0]=3 607 B16R0.303 CCCCCCCCCCCCNCCSC 34a_100000210451_100000212216 [0,0,0,0,0,0|3,0,0]=3 608 B16R0.303 CCCCCCCCCCCCOCCC#N 7a_100000210810_100000184422 [0,0,0,0,0,0|2,0,1]=3 609 B16R0.303 CCCCCCCCCCCCOCCCN 34a_100000182051_100000759014 [0,0,0,0,0,0|2,0,1]=3 610 B16R0.303 CCCCCCCCCCCCOCCCO 34a_100000210810_100000230001 [0,0,0,0,0,0|1,0,2]=3 611 B16R0.303 CCCCCCCCCCCCOCCCO 7a_100000210810_100011215043 [0,0,0,0,0,0|1,0,2]=3 612 B16R0.303 CCCCCCCCCCCCOCCOC 34a_100000210237_100000759014 [0,0,0,0,0,0|3,0,0]=3 613 B16R0.303 CCCCCCCCCCCCOCCOC 34a_100000210810_100011201679 [0,0,0,0,0,0|3,0,0]=3 614 B16R0.303 CCCCCCCCCCCCOCCOC 7a_100000210810_100000233755 [0,0,0,0,0,0|3,0,0]=3 615 B16R0.303 CCCCCCCCCCCCOCCON 34a_100000700252_100000759014 [0,0,0,0,0,0|3,0,0]=3 616 B16R0.303 CCCCCCCCCCCNCCCC#N 2230a_200011215754_100000687738 [0,0,0,0,0,0|2,0,1]=3 617 B16R0.303 CCCCCCCCCCCNCCCC=O 2230a_200011215754_200011292268 [0,0,0,0,0,0|1,0,0]=1 618 B16R0.303 CCCCCCCCCCCNCCCCF 2230a_200011215754_100000729493 [0,0,0,0,0,0|2,0,1]=3 619 B16R0.303 CCCCCCCCCCCNCCCCF 34a_200011215754_100000729493 [0,0,0,0,0,0|2,0,1]=3 620 B16R0.303 CCCCCCCCCCCNCCCCO 2230a_100000750430_100011215454 [0,0,0,0,0,0|1,0,2]=3 621 B16R0.303 CCCCCCCCCCCNCCCCO 2230a_200011215754_100000210776 [0,0,0,0,0,0|1,0,2]=3 622 B16R0.303 CCCCCCCCCCCNCCCCO 34a_100000750430_100011215454 [0,0,0,0,0,0|1,0,2]=3 623 B16R0.303 CCCCCCCCCCCNCCCCO 34a_200011215754_100011216708 [0,0,0,0,0,0|1,0,2]=3 624 B16R0.303 CCCCCCCCCCCNCCCOC 2230a_200011215754_100000740836 [0,0,0,0,0,0|3,0,0]=3 625 B16R0.303 CCCCCCCCCCCNCCCOC 34a_100150723488_100011215454 [0,0,0,0,0,0|3,0,0]=3 626 B16R0.303 CCCCCCCCCCCNCCCOC 34a_200011215754_100000740836 [0,0,0,0,0,0|3,0,0]=3 627 B16R0.303 CCCCCCCCCCCNCCCSC 2230a_100000749238_100011215454 [0,0,0,0,0,0|3,0,0]=3 628 B16R0.303 CCCCCCCCCCCNCCOCC 2230a_102516460346_100011215454 [0,0,0,0,0,0|3,0,1]=4 629 B16R0.303 CCCCCCCCCCCNCCOCC 2230a_200011215754_100011215890 [0,0,0,0,0,0|3,0,1]=4 630 B16R0.303 CCCCCCCCCCCNCCOCC 34a_102516460346_100011215454 [0,0,0,0,0,0|3,0,1]=4 631 B16R0.303 CCCCCCCCCCCNCCOCC 34a_200011215754_100000210147 [0,0,0,0,0,0|3,0,1]=4 632 B16R0.303 CCCCCCCCCCCNCCSCC 2230a_100000106463_100011215454 [0,0,0,0,0,0|3,0,1]=4 633 B16R0.303 CCCCCCCCCCCNCCSCC 2230a_200011215754_100000757381 [0,0,0,0,0,0|3,0,1]=4 634 B16R0.303 CCCCCCCCCCCNCCSCC 34a_200011215754_100000757381 [0,0,0,0,0,0|3,0,1]=4 635 B16R0.303 CCCCCCCCCCCOCCCC#N 7a_100000210809_100000687738 [0,0,0,0,0,0|2,0,1]=3 636 B16R0.303 CCCCCCCCCCCOCCCC=O 7a_100000210809_200011292268 [0,0,0,0,0,0|1,0,0]=1 637 B16R0.303 CCCCCCCCCCCOCCCCN 34a_100000750430_100011215454 [0,0,0,0,0,0|2,0,1]=3 638 B16R0.303 CCCCCCCCCCCOCCCCO 34a_100000210809_100011216708 [0,0,0,0,0,0|1,0,2]=3 639 B16R0.303 CCCCCCCCCCCOCCCCO 7a_100000210809_100000210776 [0,0,0,0,0,0|1,0,2]=3 640 B16R0.303 CCCCCCCCCCCOCCCNC 34a_100000213112_100011215454 [0,0,0,0,0,0|3,0,0]=3 641 B16R0.303 CCCCCCCCCCCOCCCOC 34a_100000210809_100000740836 [0,0,0,0,0,0|3,0,0]=3 642 B16R0.303 CCCCCCCCCCCOCCCOC 34a_100000740835_100011215454 [0,0,0,0,0,0|3,0,0]=3 643 B16R0.303 CCCCCCCCCCCOCCCOC 7a_100000210809_100000740836 [0,0,0,0,0,0|3,0,0]=3 644 B16R0.303 CCCCCCCCCCCOCCOCC 34a_100000210136_100011215454 [0,0,0,0,0,0|3,0,1]=4 645 B16R0.303 CCCCCCCCCCCOCCOCC 34a_100000210809_100000210147 [0,0,0,0,0,0|3,0,1]=4 646 B16R0.303 CCCCCCCCCCCOCCOCC 34a_100010166600_100000210202 [0,0,0,0,0,0|3,0,1]=4 647 B16R0.303 CCCCCCCCCCCOCCOCC 7a_100000210136_100011215454 [0,0,0,0,0,0|3,0,1]=4 648 B16R0.303 CCCCCCCCCCCOCCOCC 7a_100000210809_100011215890 [0,0,0,0,0,0|3,0,1]=4 649 B16R0.303 CCCCCCCCCCCOCCOCC 7a_100010166600_100000210202 [0,0,0,0,0,0|3,0,1]=4 650 B16R0.303 CCCCCCCCCCCOCCOCF 34a_100010166600_100015361967 [0,0,0,0,0,0|3,0,1]=4 651 B16R0.303 CCCCCCCCCCCOCCOCF 7a_100010166600_100015361967 [0,0,0,0,0,0|3,0,1]=4 652 B16R0.303 CCCCCCCCCCNCCCCC#N 2230a_100000684558_100000211819 [0,0,0,0,0,0|2,0,1]=3 653 B16R0.303 CCCCCCCCCCNCCCCC=O 2230a_100000684558_100000139335 [0,0,0,0,0,0|1,0,0]=1 654 B16R0.303 CCCCCCCCCCNCCCCCF 2230a_100000684558_100000729378 [0,0,0,0,0,0|2,0,1]=3 655 B16R0.303 CCCCCCCCCCNCCCCCF 34a_100000684558_100000729378 [0,0,0,0,0,0|2,0,1]=3 656 B16R0.303 CCCCCCCCCCNCCCCCO 2230a_100000684558_100000746330 [0,0,0,0,0,0|1,0,2]=3 657 B16R0.303 CCCCCCCCCCNCCCCCO 2230a_100000762737_100000210320 [0,0,0,0,0,0|1,0,2]=3 658 B16R0.303 CCCCCCCCCCNCCCCCO 34a_100000684558_100000746330 [0,0,0,0,0,0|1,0,2]=3 659 B16R0.303 CCCCCCCCCCNCCCCCO 34a_100000762737_100000210320 [0,0,0,0,0,0|1,0,2]=3 660 B16R0.303 CCCCCCCCCCNCCCCOC 2230a_100000684558_100000730899 [0,0,0,0,0,0|3,0,0]=3 661 B16R0.303 CCCCCCCCCCNCCCCOC 34a_100000684558_100000755781 [0,0,0,0,0,0|3,0,0]=3 662 B16R0.303 CCCCCCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210320 [0,0,0,0,0,0|4,0,0]=4 663 B16R0.303 CCCCCCCCCCNCCCOCC 2230a_100000210961_100000210320 [0,0,0,0,0,0|3,0,1]=4 664 B16R0.303 CCCCCCCCCCNCCCOCC 2230a_100000684558_100012232248 [0,0,0,0,0,0|3,0,1]=4 665 B16R0.303 CCCCCCCCCCNCCCOCC 34a_100000210961_100000210320 [0,0,0,0,0,0|3,0,1]=4 666 B16R0.303 CCCCCCCCCCNCCCOCC 34a_100000684558_100012232248 [0,0,0,0,0,0|3,0,1]=4 667 B16R0.303 CCCCCCCCCCNCCOCC#N 2230a_100000684558_200000047693 [0,0,0,0,0,0|3,0,1]=4 668 B16R0.303 CCCCCCCCCCNCCOCCC 2230a_100000684558_100011215938 [0,0,0,0,0,0|3,0,1]=4 669 B16R0.303 CCCCCCCCCCNCCOCCC 2230a_100161115042_100000210320 [0,0,0,0,0,0|3,0,1]=4 670 B16R0.303 CCCCCCCCCCNCCOCCC 34a_100000684558_100011215938 [0,0,0,0,0,0|3,0,1]=4 671 B16R0.303 CCCCCCCCCCNCCOCCC 34a_100161115042_100000210320 [0,0,0,0,0,0|3,0,1]=4 672 B16R0.303 CCCCCCCCCCNCCOCCO 2230a_100000211614_100000210320 [0,0,0,0,0,0|2,0,2]=4 673 B16R0.303 CCCCCCCCCCNCCOCCO 2230a_100000684558_100011215305 [0,0,0,0,0,0|2,0,2]=4 674 B16R0.303 CCCCCCCCCCNCCOCCO 34a_100000211614_100000210320 [0,0,0,0,0,0|2,0,2]=4 675 B16R0.303 CCCCCCCCCCNCCOCCO 34a_100000684558_100000692535 [0,0,0,0,0,0|2,0,2]=4 676 B16R0.303 CCCCCCCCCCNCCSCCC 2230a_100020603323_100000210320 [0,0,0,0,0,0|3,0,1]=4 677 B16R0.303 CCCCCCCCCCNCCSCCO 2230a_100011219999_100000210320 [0,0,0,0,0,0|2,0,2]=4 678 B16R0.303 CCCCCCCCCCNCOCCCC 2230a_100000684558_100011995733 [0,0,0,0,0,0|3,0,1]=4 679 B16R0.303 CCCCCCCCCCNCOCCCC 34a_100000684558_100011995733 [0,0,0,0,0,0|3,0,1]=4 680 B16R0.303 CCCCCCCCCCNCOCCOC 2230a_100000684558_100000231047 [0,0,0,0,0,0|4,0,0]=4 681 B16R0.303 CCCCCCCCCCOCCCCC#N 7a_100000210711_100000211819 [0,0,0,0,0,0|2,0,1]=3 682 B16R0.303 CCCCCCCCCCOCCCCC=O 7a_100000210711_100000139335 [0,0,0,0,0,0|1,0,0]=1 683 B16R0.303 CCCCCCCCCCOCCCCCN 34a_100000762737_100000210320 [0,0,0,0,0,0|2,0,1]=3 684 B16R0.303 CCCCCCCCCCOCCCCCO 34a_100000210711_100000746330 [0,0,0,0,0,0|1,0,2]=3 685 B16R0.303 CCCCCCCCCCOCCCCCO 7a_100000210711_100000746330 [0,0,0,0,0,0|1,0,2]=3 686 B16R0.303 CCCCCCCCCCOCCCCOC 34a_100000210711_100000755781 [0,0,0,0,0,0|3,0,0]=3 687 B16R0.303 CCCCCCCCCCOCCCCOC 34a_100000740925_100000210320 [0,0,0,0,0,0|3,0,0]=3 688 B16R0.303 CCCCCCCCCCOCCCCOC 34a_200010776780_200000210301 [0,0,0,0,0,0|3,0,0]=3 689 B16R0.303 CCCCCCCCCCOCCCCOC 7a_100000210711_100000730899 [0,0,0,0,0,0|3,0,0]=3 690 B16R0.303 CCCCCCCCCCOCCCCOC 7a_200010776780_200000210301 [0,0,0,0,0,0|3,0,0]=3 691 B16R0.303 CCCCCCCCCCOCCCCO[13CH3] 34a_200010776780_200025704644 [0,0,0,0,0,0|3,0,0]=3 692 B16R0.303 CCCCCCCCCCOCCCCO[13CH3] 7a_200010776780_200025704644 [0,0,0,0,0,0|3,0,0]=3 693 B16R0.303 CCCCCCCCCCOCCCOCC 34a_100000210711_100012232248 [0,0,0,0,0,0|3,0,1]=4 694 B16R0.303 CCCCCCCCCCOCCCOCC 34a_100000757476_100000210320 [0,0,0,0,0,0|3,0,1]=4 695 B16R0.303 CCCCCCCCCCOCCCOCC 7a_100000210711_100012232248 [0,0,0,0,0,0|3,0,1]=4 696 B16R0.303 CCCCCCCCCCOCCCOCC 7a_100000757476_100000210320 [0,0,0,0,0,0|3,0,1]=4 697 B16R0.303 CCCCCCCCCCOCCOCC#N 7a_100000210711_200000047693 [0,0,0,0,0,0|3,0,1]=4 698 B16R0.303 CCCCCCCCCCOCCOCCBr 34a_100000692535_100000210320 [0,0,0,0,0,0|3,0,1]=4 699 B16R0.303 CCCCCCCCCCOCCOCCBr 7a_100000692535_100000210320 [0,0,0,0,0,0|3,0,1]=4 700 B16R0.303 CCCCCCCCCCOCCOCCC 34a_100000210711_100011215938 [0,0,0,0,0,0|3,0,1]=4 701 B16R0.303 CCCCCCCCCCOCCOCCC 34a_100000752267_100000210320 [0,0,0,0,0,0|3,0,1]=4 702 B16R0.303 CCCCCCCCCCOCCOCCC 7a_100000210711_100011215938 [0,0,0,0,0,0|3,0,1]=4 703 B16R0.303 CCCCCCCCCCOCCOCCC 7a_100000752267_100000210320 [0,0,0,0,0,0|3,0,1]=4 704 B16R0.303 CCCCCCCCCCOCCOCCCl 34a_100011215305_100000210320 [0,0,0,0,0,0|3,0,1]=4 705 B16R0.303 CCCCCCCCCCOCCOCCCl 7a_100011215305_100000210320 [0,0,0,0,0,0|3,0,1]=4 706 B16R0.303 CCCCCCCCCCOCCOCCF 34a_200015357709_100000210320 [0,0,0,0,0,0|3,0,1]=4 707 B16R0.303 CCCCCCCCCCOCCOCCF 7a_200015357709_100000210320 [0,0,0,0,0,0|3,0,1]=4 708 B16R0.303 CCCCCCCCCCOCCOCCI 34a_100012149058_100000210320 [0,0,0,0,0,0|3,0,1]=4 709 B16R0.303 CCCCCCCCCCOCCOCCI 7a_100012149058_100000210320 [0,0,0,0,0,0|3,0,1]=4 710 B16R0.303 CCCCCCCCCCOCCOCCN 34a_100000211614_100000210320 [0,0,0,0,0,0|3,0,1]=4 711 B16R0.303 CCCCCCCCCCOCCOCCO 34a_100000210711_100000692535 [0,0,0,0,0,0|2,0,2]=4 712 B16R0.303 CCCCCCCCCCOCCOCCO 7a_100000210711_100011215305 [0,0,0,0,0,0|2,0,2]=4 713 B16R0.303 CCCCCCCCCCOCOCCCC 34a_100000210711_100011995733 [0,0,0,0,0,0|3,0,1]=4 714 B16R0.303 CCCCCCCCCCSCCOCC#N 62a_200000047693_100000210320 [0,0,0,0,0,0|3,0,1]=4 715 B16R0.303 CCCCCCCCCCSCCOCC#N 7a_100011628728_100011215382 [0,0,0,0,0,0|3,0,1]=4 716 B16R0.303 CCCCCCCCCCSCCOCC=O 34a_100011628728_200009817547 [0,0,0,0,0,0|2,0,0]=2 717 B16R0.303 CCCCCCCCCCSCCOCC=O 7a_100011628728_200015260668 [0,0,0,0,0,0|2,0,0]=2 718 B16R0.303 CCCCCCCCCCSCCOCCF 34a_100011628728_100011217306 [0,0,0,0,0,0|3,0,1]=4 719 B16R0.303 CCCCCCCCCCSCCOCCF 7a_100011628728_100011217306 [0,0,0,0,0,0|3,0,1]=4 720 B16R0.303 CCCCCCCCCCSCCOCCO 34a_100011628728_100000211926 [0,0,0,0,0,0|2,0,2]=4 721 B16R0.303 CCCCCCCCCCSCCOCCO 62a_100011215305_100000210320 [0,0,0,0,0,0|2,0,2]=4 722 B16R0.303 CCCCCCCCCCSCCOCCO 7a_100011628728_100000211926 [0,0,0,0,0,0|2,0,2]=4 723 B16R0.303 CCCCCCCCCCSCOCCOC 62a_100000231047_100000210320 [0,0,0,0,0,0|4,0,0]=4 724 B16R0.303 CCCCCCCCCNCCCCCC#N 2230a_100000212291_100009813376 [0,0,0,0,0,0|2,0,1]=3 725 B16R0.303 CCCCCCCCCNCCCCCC=O 2230a_100000212291_100000139337 [0,0,0,0,0,0|1,0,0]=1 726 B16R0.303 CCCCCCCCCNCCCCCCF 2230a_100000212291_100015922095 [0,0,0,0,0,0|2,0,1]=3 727 B16R0.303 CCCCCCCCCNCCCCCCF 34a_100000212291_100015922095 [0,0,0,0,0,0|2,0,1]=3 728 B16R0.303 CCCCCCCCCNCCCCCCO 2230a_100000212291_100000766143 [0,0,0,0,0,0|1,0,2]=3 729 B16R0.303 CCCCCCCCCNCCCCCCO 2230a_100000686447_100011214924 [0,0,0,0,0,0|1,0,2]=3 730 B16R0.303 CCCCCCCCCNCCCCCCO 34a_100000212291_100000766143 [0,0,0,0,0,0|1,0,2]=3 731 B16R0.303 CCCCCCCCCNCCCCCCO 34a_100000686447_100011214924 [0,0,0,0,0,0|1,0,2]=3 732 B16R0.303 CCCCCCCCCNCCCCCOC 2230a_100000747528_100011214924 [0,0,0,0,0,0|3,0,0]=3 733 B16R0.303 CCCCCCCCCNCCCCCOC 34a_100000747528_100011214924 [0,0,0,0,0,0|3,0,0]=3 734 B16R0.303 CCCCCCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100011214924 [0,0,0,0,0,0|4,0,0]=4 735 B16R0.303 CCCCCCCCCNCCCOCCC 2230a_100011217757_100011214924 [0,0,0,0,0,0|3,0,1]=4 736 B16R0.303 CCCCCCCCCNCCCOCCC 34a_100011217757_100011214924 [0,0,0,0,0,0|3,0,1]=4 737 B16R0.303 CCCCCCCCCNCCOCCCC 2230a_100000212291_100000743108 [0,0,0,0,0,0|3,0,1]=4 738 B16R0.303 CCCCCCCCCNCCOCCCC 34a_100000212291_100000743108 [0,0,0,0,0,0|3,0,1]=4 739 B16R0.303 CCCCCCCCCNCCOCCOC 2230a_100000212291_100000695917 [0,0,0,0,0,0|4,0,0]=4 740 B16R0.303 CCCCCCCCCNCCOCCOC 2230a_100000745349_100011214924 [0,0,0,0,0,0|4,0,0]=4 741 B16R0.303 CCCCCCCCCNCCOCCOC 34a_100000212291_100000695917 [0,0,0,0,0,0|4,0,0]=4 742 B16R0.303 CCCCCCCCCNCCOCCOC 34a_100000745349_100011214924 [0,0,0,0,0,0|4,0,0]=4 743 B16R0.303 CCCCCCCCCNCCSCCCC 2230a_100025743550_100011214924 [0,0,0,0,0,0|3,0,1]=4 744 B16R0.303 CCCCCCCCCOCCCCCC#N 7a_100000210712_100009813376 [0,0,0,0,0,0|2,0,1]=3 745 B16R0.303 CCCCCCCCCOCCCCCC=O 7a_100000210712_100000139337 [0,0,0,0,0,0|1,0,0]=1 746 B16R0.303 CCCCCCCCCOCCCCCCN 34a_100000686447_100011214924 [0,0,0,0,0,0|2,0,1]=3 747 B16R0.303 CCCCCCCCCOCCCCCCO 34a_100000210712_100000766143 [0,0,0,0,0,0|1,0,2]=3 748 B16R0.303 CCCCCCCCCOCCCCCCO 7a_100000210712_100000766143 [0,0,0,0,0,0|1,0,2]=3 749 B16R0.303 CCCCCCCCCOCCCCCNC 34a_100000722520_100011214924 [0,0,0,0,0,0|3,0,0]=3 750 B16R0.303 CCCCCCCCCOCCOCCCC 34a_100000210238_100011214924 [0,0,0,0,0,0|3,0,1]=4 751 B16R0.303 CCCCCCCCCOCCOCCCC 34a_100000210712_100000743108 [0,0,0,0,0,0|3,0,1]=4 752 B16R0.303 CCCCCCCCCOCCOCCCC 7a_100000210238_100000210328 [0,0,0,0,0,0|3,0,1]=4 753 B16R0.303 CCCCCCCCCOCCOCCCC 7a_100000210712_100000743108 [0,0,0,0,0,0|3,0,1]=4 754 B16R0.303 CCCCCCCCCOCCOCCNC 34a_100000228057_100011214924 [0,0,0,0,0,0|4,0,0]=4 755 B16R0.303 CCCCCCCCCOCCOCCOC 34a_100000210712_100000695917 [0,0,0,0,0,0|4,0,0]=4 756 B16R0.303 CCCCCCCCCOCCOCCOC 34a_100011215163_100011214924 [0,0,0,0,0,0|4,0,0]=4 757 B16R0.303 CCCCCCCCCOCCOCCOC 7a_100000210712_100000695917 [0,0,0,0,0,0|4,0,0]=4 758 B16R0.303 CCCCCCCCCOCCOCCOC 7a_100011215163_100000210328 [0,0,0,0,0,0|4,0,0]=4 759 B16R0.303 CCCCCCCCCSCCOCCOC 62a_100000695917_100000210670 [0,0,0,0,0,0|4,0,0]=4 760 B16R0.303 CCCCCCCCNCCCCCCC#N 2230a_100000229939_100009813337 [0,0,0,0,0,0|2,0,1]=3 761 B16R0.303 CCCCCCCCNCCCCCCCO 2230a_100000229939_100000760002 [0,0,0,0,0,0|1,0,2]=3 762 B16R0.303 CCCCCCCCNCCCCCCCO 2230a_100011996573_100000210759 [0,0,0,0,0,0|1,0,2]=3 763 B16R0.303 CCCCCCCCNCCCCCCCO 34a_100000229939_100000760002 [0,0,0,0,0,0|1,0,2]=3 764 B16R0.303 CCCCCCCCNCCCCCCCO 34a_100011996573_100000210759 [0,0,0,0,0,0|1,0,2]=3 765 B16R0.303 CCCCCCCCNCCCCCCOC 2230a_100000229939_100011998445 [0,0,0,0,0,0|3,0,0]=3 766 B16R0.303 CCCCCCCCNCCCCCCOC 34a_100000229939_100011998445 [0,0,0,0,0,0|3,0,0]=3 767 B16R0.303 CCCCCCCCNCCCOCCCC 2230a_200000211371_100000210759 [0,0,0,0,0,0|3,0,1]=4 768 B16R0.303 CCCCCCCCNCCCOCCCC 34a_200000211371_100000210759 [0,0,0,0,0,0|3,0,1]=4 769 B16R0.303 CCCCCCCCNCCCOCCCO 2230a_100011310245_100000210759 [0,0,0,0,0,0|2,0,2]=4 770 B16R0.303 CCCCCCCCNCCCOCCCO 34a_100011310245_100000210759 [0,0,0,0,0,0|2,0,2]=4 771 B16R0.303 CCCCCCCCNCCCOCCOC 2230a_100000206027_100000210759 [0,0,0,0,0,0|4,0,0]=4 772 B16R0.303 CCCCCCCCNCCCOCCOC 2230a_100000229939_100011216529 [0,0,0,0,0,0|4,0,0]=4 773 B16R0.303 CCCCCCCCNCCCOCCOC 34a_100000206027_100000210759 [0,0,0,0,0,0|4,0,0]=4 774 B16R0.303 CCCCCCCCNCCCOCCOC 34a_100000229939_100011216529 [0,0,0,0,0,0|4,0,0]=4 775 B16R0.303 CCCCCCCCOCCCCCCC#N 7a_100000210232_100009813337 [0,0,0,0,0,0|2,0,1]=3 776 B16R0.303 CCCCCCCCOCCCCCCCN 34a_100011996573_100000210759 [0,0,0,0,0,0|2,0,1]=3 777 B16R0.303 CCCCCCCCOCCCCCCCO 34a_100000210232_100000760002 [0,0,0,0,0,0|1,0,2]=3 778 B16R0.303 CCCCCCCCOCCCCCCCO 7a_100000210232_100000760002 [0,0,0,0,0,0|1,0,2]=3 779 B16R0.303 CCCCCCCCOCCCCCCOC 34a_100000210232_100011998445 [0,0,0,0,0,0|3,0,0]=3 780 B16R0.303 CCCCCCCCOCCCCCCOC 34a_200012092642_100000210759 [0,0,0,0,0,0|3,0,0]=3 781 B16R0.303 CCCCCCCCOCCCCCCOC 7a_100000210232_100011998445 [0,0,0,0,0,0|3,0,0]=3 782 B16R0.303 CCCCCCCCOCCCCCCOC 7a_200012092642_100000210759 [0,0,0,0,0,0|3,0,0]=3 783 B16R0.303 CCCCCCCCOCCCOCCCC 34a_200011215613_100000210759 [0,0,0,0,0,0|3,0,1]=4 784 B16R0.303 CCCCCCCCOCCCOCCCC 7a_200011215613_100000210759 [0,0,0,0,0,0|3,0,1]=4 785 B16R0.303 CCCCCCCCOCCCOCCCN 34a_100011310245_100000210759 [0,0,0,0,0,0|3,0,1]=4 786 B16R0.303 CCCCCCCCOCCCOCCOC 34a_100000210232_100011216529 [0,0,0,0,0,0|4,0,0]=4 787 B16R0.303 CCCCCCCCOCCCOCCOC 7a_100000210232_100011216529 [0,0,0,0,0,0|4,0,0]=4 788 B16R0.303 CCCCCCCCOCCNCCCCC 34a_100000224656_100000210759 [0,0,0,0,0,0|3,0,1]=4 789 B16R0.303 CCCCCCCCOCCOCCCCC 34a_100011215259_100000210759 [0,0,0,0,0,0|3,0,1]=4 790 B16R0.303 CCCCCCCCOCCOCCCCC 7a_100011215259_100000210759 [0,0,0,0,0,0|3,0,1]=4 791 B16R0.303 CCCCCCCCSCCCOCCOC 62a_100000210759_100011216529 [0,0,0,0,0,0|4,0,0]=4 792 B16R0.303 CCCCCCCCSCCCOCCOC 62a_100011216529_100000210317 [0,0,0,0,0,0|4,0,0]=4 793 B16R0.303 CCCCCCCNCCCCCCCCO 2230a_100000229938_100000033203 [0,0,0,0,0,0|1,0,2]=3 794 B16R0.303 CCCCCCCNCCCCCCCCO 2230a_102515433106_100000210681 [0,0,0,0,0,0|1,0,2]=3 795 B16R0.303 CCCCCCCNCCCCCCCCO 34a_102515433106_100000210614 [0,0,0,0,0,0|1,0,2]=3 796 B16R0.303 CCCCCCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210681 [0,0,0,0,0,0|4,0,0]=4 797 B16R0.303 CCCCCCCOCCCCCCCCN 34a_102515433106_100000210614 [0,0,0,0,0,0|2,0,1]=3 798 B16R0.303 CCCCCCCOCCCCCCCCO 34a_100000210272_100000033203 [0,0,0,0,0,0|1,0,2]=3 799 B16R0.303 CCCCCCCOCCCCCCCCO 7a_100000210272_100000033203 [0,0,0,0,0,0|1,0,2]=3 800 B16R0.303 CCCCCCCOCCCCCNCCN 34a_103619048469_100000210614 [0,0,0,0,0,0|3,0,1]=4 801 B16R0.303 CCCCCCCOCCCCNCCCC 34a_200011216965_100000210614 [0,0,0,0,0,0|3,0,1]=4 802 B16R0.303 CCCCCCCOCCCCOCCCC 34a_200000760531_100000210614 [0,0,0,0,0,0|3,0,1]=4 803 B16R0.303 CCCCCCCOCCCCOCCCC 7a_200000760531_100000210614 [0,0,0,0,0,0|3,0,1]=4 804 B16R0.303 CCCCCCCOCCCOCCCOC 34a_200011215475_100000210614 [0,0,0,0,0,0|4,0,0]=4 805 B16R0.303 CCCCCCCOCCCOCCCOC 7a_200011215475_100000210614 [0,0,0,0,0,0|4,0,0]=4 806 B16R0.303 CCCCCCCOCCOCCCCCC 34a_100000691444_100000210614 [0,0,0,0,0,0|3,0,1]=4 807 B16R0.303 CCCCCCCOCCOCCCCCC 7a_100000691444_100000210614 [0,0,0,0,0,0|3,0,1]=4 808 B16R0.303 CCCCCCNCCCCCCCCCO 2230a_100000078944_100000210314 [0,0,0,0,0,0|1,0,2]=3 809 B16R0.303 CCCCCCNCCCCCCCCCO 2230a_100000210581_100009813782 [0,0,0,0,0,0|1,0,2]=3 810 B16R0.303 CCCCCCNCCCCCCCCCO 34a_100000078944_100000210314 [0,0,0,0,0,0|1,0,2]=3 811 B16R0.303 CCCCCCOCCCCCCCCCN 34a_100000078944_100000210314 [0,0,0,0,0,0|2,0,1]=3 812 B16R0.303 CCCCCCOCCCCCCCCCO 34a_100000210259_100009813782 [0,0,0,0,0,0|1,0,2]=3 813 B16R0.303 CCCCCCOCCCCCCCCCO 7a_100000210259_100009813782 [0,0,0,0,0,0|1,0,2]=3 814 B16R0.303 CCCCCCOCCOCCCCCC#N 7a_100000691444_100009813376 [0,0,0,0,0,0|3,0,1]=4 815 B16R0.303 CCCCCCOCCOCCCCCC=O 7a_100000691444_100000139337 [0,0,0,0,0,0|2,0,0]=2 816 B16R0.303 CCCCCCOCCOCCCCCCF 34a_100000691444_100015922095 [0,0,0,0,0,0|3,0,1]=4 817 B16R0.303 CCCCCCOCCOCCCCCCF 7a_100000691444_100015922095 [0,0,0,0,0,0|3,0,1]=4 818 B16R0.303 CCCCCCOCCOCCCCCCO 34a_100000691444_100000766143 [0,0,0,0,0,0|2,0,2]=4 819 B16R0.303 CCCCCCOCCOCCCCCCO 7a_100000691444_100000766143 [0,0,0,0,0,0|2,0,2]=4 820 B16R0.303 CCCCCNCCCCCCCCCCO 2230a_100000066964_100000210326 [0,0,0,0,0,0|1,0,2]=3 821 B16R0.303 CCCCCNCCCCCCCCCCO 2230a_100000209983_100009813290 [0,0,0,0,0,0|1,0,2]=3 822 B16R0.303 CCCCCNCCCCCCCCCCO 34a_100000066964_100000718602 [0,0,0,0,0,0|1,0,2]=3 823 B16R0.303 CCCCCNCCOCCCCCCCO 34a_100000224656_100000760002 [0,0,0,0,0,0|2,0,2]=4 824 B16R0.303 CCCCCNCCOCCCCCCOC 34a_100000224656_100011998445 [0,0,0,0,0,0|4,0,0]=4 825 B16R0.303 CCCCCOCCCCCCCCCCN 34a_100000066964_100000718602 [0,0,0,0,0,0|2,0,1]=3 826 B16R0.303 CCCCCOCCCCCCCCCCO 34a_100000210253_100009813290 [0,0,0,0,0,0|1,0,2]=3 827 B16R0.303 CCCCCOCCCCCCCCCCO 7a_100000210253_100009813290 [0,0,0,0,0,0|1,0,2]=3 828 B16R0.303 CCCCCOCCOCCCCCCC#N 7a_100011215259_100009813337 [0,0,0,0,0,0|3,0,1]=4 829 B16R0.303 CCCCCOCCOCCCCCCCO 34a_100011215259_100000760002 [0,0,0,0,0,0|2,0,2]=4 830 B16R0.303 CCCCCOCCOCCCCCCCO 7a_100011215259_100000760002 [0,0,0,0,0,0|2,0,2]=4 831 B16R0.303 CCCCCOCCOCCCCCCOC 34a_100011215259_100011998445 [0,0,0,0,0,0|4,0,0]=4 832 B16R0.303 CCCCCOCCOCCCCCCOC 7a_100011215259_100011998445 [0,0,0,0,0,0|4,0,0]=4 833 B16R0.303 CCCCNCCCCCCCCCCCO 2230a_100000102301_100009812471 [0,0,0,0,0,0|1,0,2]=3 834 B16R0.303 CCCCNCCCCCCCCCCCO 7a_106832991798_100009812471 [0,0,0,0,0,0|1,0,2]=3 835 B16R0.303 CCCCNCCCCOCCCCCCF 34a_200011216965_100015922095 [0,0,0,0,0,0|3,0,1]=4 836 B16R0.303 CCCCNCCCCOCCCCCCO 34a_200011216965_100000766143 [0,0,0,0,0,0|2,0,2]=4 837 B16R0.303 CCCCOCCCCCCCCCCCO 34a_100000210227_100009812471 [0,0,0,0,0,0|1,0,2]=3 838 B16R0.303 CCCCOCCCCCCCCCCCO 7a_100000210227_100009812471 [0,0,0,0,0,0|1,0,2]=3 839 B16R0.303 CCCCOCCCCCCCCCOCC 34a_100009875440_100000210210 [0,0,0,0,0,0|3,0,1]=4 840 B16R0.303 CCCCOCCCCCCCCCOCC 7a_100009875440_100000210211 [0,0,0,0,0,0|3,0,1]=4 841 B16R0.303 CCCCOCCCCOCCCCCC#N 7a_200000760531_100009813376 [0,0,0,0,0,0|3,0,1]=4 842 B16R0.303 CCCCOCCCCOCCCCCC=O 7a_200000760531_100000139337 [0,0,0,0,0,0|2,0,0]=2 843 B16R0.303 CCCCOCCCCOCCCCCCF 34a_200000760531_100015922095 [0,0,0,0,0,0|3,0,1]=4 844 B16R0.303 CCCCOCCCCOCCCCCCF 7a_200000760531_100015922095 [0,0,0,0,0,0|3,0,1]=4 845 B16R0.303 CCCCOCCCCOCCCCCCO 34a_200000760531_100000766143 [0,0,0,0,0,0|2,0,2]=4 846 B16R0.303 CCCCOCCCCOCCCCCCO 7a_200000760531_100000766143 [0,0,0,0,0,0|2,0,2]=4 847 B16R0.303 CCCCOCCCNCCCCCCC#N 2230a_200000211371_100009813337 [0,0,0,0,0,0|3,0,1]=4 848 B16R0.303 CCCCOCCCNCCCCCCCO 2230a_200000211371_100000760002 [0,0,0,0,0,0|2,0,2]=4 849 B16R0.303 CCCCOCCCNCCCCCCCO 34a_200000211371_100000760002 [0,0,0,0,0,0|2,0,2]=4 850 B16R0.303 CCCCOCCCNCCCCCCOC 2230a_200000211371_100011998445 [0,0,0,0,0,0|4,0,0]=4 851 B16R0.303 CCCCOCCCNCCCCCCOC 34a_200000211371_100011998445 [0,0,0,0,0,0|4,0,0]=4 852 B16R0.303 CCCCOCCCOCCCCCCC#N 7a_200011215613_100009813337 [0,0,0,0,0,0|3,0,1]=4 853 B16R0.303 CCCCOCCCOCCCCCCCO 34a_200011215613_100000760002 [0,0,0,0,0,0|2,0,2]=4 854 B16R0.303 CCCCOCCCOCCCCCCCO 7a_200011215613_100000760002 [0,0,0,0,0,0|2,0,2]=4 855 B16R0.303 CCCCOCCCOCCCCCCOC 34a_200011215613_100011998445 [0,0,0,0,0,0|4,0,0]=4 856 B16R0.303 CCCCOCCCOCCCCCCOC 7a_200011215613_100011998445 [0,0,0,0,0,0|4,0,0]=4 857 B16R0.303 CCCCOCCNCCCCCCCCO 2230a_102515433106_100000743108 [0,0,0,0,0,0|2,0,2]=4 858 B16R0.303 CCCCOCCNCCCCCCCCO 34a_102515433106_100000743108 [0,0,0,0,0,0|2,0,2]=4 859 B16R0.303 CCCCOCCOCCCCCCCCBr 34a_100009813846_100000743108 [0,0,0,0,0,0|3,0,1]=4 860 B16R0.303 CCCCOCCOCCCCCCCCBr 7a_100009813846_100000743108 [0,0,0,0,0,0|3,0,1]=4 861 B16R0.303 CCCCOCCOCCCCCCCCCl 34a_100000033203_100000743108 [0,0,0,0,0,0|3,0,1]=4 862 B16R0.303 CCCCOCCOCCCCCCCCCl 7a_100000033203_100000743108 [0,0,0,0,0,0|3,0,1]=4 863 B16R0.303 CCCCOCCOCCCCCCCCN 34a_102515433106_100000743108 [0,0,0,0,0,0|3,0,1]=4 864 B16R0.303 CCCCOCCOCCCCCCCCO 34a_100000210238_100000033203 [0,0,0,0,0,0|2,0,2]=4 865 B16R0.303 CCCCOCCOCCCCCCCCO 7a_100000210238_100000033203 [0,0,0,0,0,0|2,0,2]=4 866 B16R0.303 CCCCOCCOCCOCCCCC=O 7a_100011215186_100000139335 [0,0,0,0,0,0|3,0,0]=3 867 B16R0.303 CCCCOCCOCCOCCOCC=O 34a_100000700218_200009817547 [0,0,0,0,0,0|4,0,0]=4 868 B16R0.303 CCCCOCCOCCOCCOCC=O 7a_100000700218_200015260668 [0,0,0,0,0,0|4,0,0]=4 869 B16R0.303 CCCCOCCSCCCCCCCCO 62a_100000033203_100000743108 [0,0,0,0,0,0|2,0,2]=4 870 B16R0.303 CCCCOCCSCCCCCCCCO 62a_100000743108_100000033203 [0,0,0,0,0,0|2,0,2]=4 871 B16R0.303 CCCCOCNCCCCCCCCCO 2230a_100000078944_100011995733 [0,0,0,0,0,0|2,0,2]=4 872 B16R0.303 CCCCOCNCCCCCCCCCO 34a_100000078944_100011995733 [0,0,0,0,0,0|2,0,2]=4 873 B16R0.303 CCCCOCOCCCCCCCCCBr 34a_100009813782_100011995733 [0,0,0,0,0,0|3,0,1]=4 874 B16R0.303 CCCCOCOCCCCCCCCCCl 34a_100009868337_100011995733 [0,0,0,0,0,0|3,0,1]=4 875 B16R0.303 CCCCOCOCCCCCCCCCN 34a_100000078944_100011995733 [0,0,0,0,0,0|3,0,1]=4 876 B16R0.303 CCCCOCSCCCCCCCCCO 62a_100009813782_100011995733 [0,0,0,0,0,0|2,0,2]=4 877 B16R0.303 CCCCOCSCCCCCCCCCO 62a_100011995733_100009813782 [0,0,0,0,0,0|2,0,2]=4 878 B16R0.303 CCCCSCCNCCCCCCCCO 2230a_100025743550_100000033203 [0,0,0,0,0,0|2,0,2]=4 879 B16R0.303 CCCCSCCOCCCCCCCCO 34a_200000230436_100000033203 [0,0,0,0,0,0|2,0,2]=4 880 B16R0.303 CCCCSCCOCCCCCCCCO 7a_200000230436_100000033203 [0,0,0,0,0,0|2,0,2]=4 881 B16R0.303 CCCNCCCCCCCCCCCCO 2230a_100000066677_100000210303 [0,0,0,0,0,0|1,0,2]=3 882 B16R0.303 CCCNCCCCCCCCCCCCO 34a_100000066677_100000210303 [0,0,0,0,0,0|1,0,2]=3 883 B16R0.303 CCCOCCCCCCCCCCCCN 34a_100000066677_100000210303 [0,0,0,0,0,0|2,0,1]=3 884 B16R0.303 CCCOCCCCCCCCCCCCO 34a_100000210258_100009813331 [0,0,0,0,0,0|1,0,2]=3 885 B16R0.303 CCCOCCCCCCOCCCCCO 34a_100000210258_200132310570 [0,0,0,0,0,0|2,0,2]=4 886 B16R0.303 CCCOCCCCCOCCCCCCCl 34a_200132310570_100000210303 [0,0,0,0,0,0|3,0,1]=4 887 B16R0.303 CCCOCCCCCOCCCCCCCl 7a_200132310570_100000210303 [0,0,0,0,0,0|3,0,1]=4 888 B16R0.303 CCCOCCCNCCCCCCCCO 2230a_100011217757_100000033203 [0,0,0,0,0,0|2,0,2]=4 889 B16R0.303 CCCOCCCNCCCCCCCCO 34a_100011217757_100000033203 [0,0,0,0,0,0|2,0,2]=4 890 B16R0.303 CCCOCCNCCCCCCCCCO 2230a_100000078944_100011215938 [0,0,0,0,0,0|2,0,2]=4 891 B16R0.303 CCCOCCNCCCCCCCCCO 2230a_100161115042_100009813782 [0,0,0,0,0,0|2,0,2]=4 892 B16R0.303 CCCOCCNCCCCCCCCCO 34a_100000078944_100011215938 [0,0,0,0,0,0|2,0,2]=4 893 B16R0.303 CCCOCCNCCCCCCCCCO 34a_100161115042_100009813782 [0,0,0,0,0,0|2,0,2]=4 894 B16R0.303 CCCOCCOCCCCCCCCCBr 34a_100009813782_100011215938 [0,0,0,0,0,0|3,0,1]=4 895 B16R0.303 CCCOCCOCCCCCCCCCBr 7a_100009813782_100011215938 [0,0,0,0,0,0|3,0,1]=4 896 B16R0.303 CCCOCCOCCCCCCCCCCl 34a_100009868337_100011215938 [0,0,0,0,0,0|3,0,1]=4 897 B16R0.303 CCCOCCOCCCCCCCCCCl 7a_100009868337_100011215938 [0,0,0,0,0,0|3,0,1]=4 898 B16R0.303 CCCOCCOCCCCCCCCCN 34a_100000078944_100011215938 [0,0,0,0,0,0|3,0,1]=4 899 B16R0.303 CCCOCCOCCCCCCCCCO 34a_100000752267_100009813782 [0,0,0,0,0,0|2,0,2]=4 900 B16R0.303 CCCOCCOCCCCCCCCCO 7a_100000752267_100009813782 [0,0,0,0,0,0|2,0,2]=4 901 B16R0.303 CCCOCCOCCNCCCCCC=O 2230a_200011904461_100000139337 [0,0,0,0,0,0|3,0,0]=3 902 B16R0.303 CCCOCCSCCCCCCCCCO 62a_100009813782_100011215938 [0,0,0,0,0,0|2,0,2]=4 903 B16R0.303 CCCOCCSCCCCCCCCCO 62a_100011215938_100009813782 [0,0,0,0,0,0|2,0,2]=4 904 B16R0.303 CCCSCCCCCCOCCCCCO 62a_100000210303_200132310570 [0,0,0,0,0,0|2,0,2]=4 905 B16R0.303 CCCSCCCCCCOCCCCCO 62a_200132310570_100000210303 [0,0,0,0,0,0|2,0,2]=4 906 B16R0.303 CCCSCCNCCCCCCCCCO 2230a_100020603323_100009813782 [0,0,0,0,0,0|2,0,2]=4 907 B16R0.303 CCCSCCOCCCCCCCCCO 34a_200000230433_100009813782 [0,0,0,0,0,0|2,0,2]=4 908 B16R0.303 CCCSCCOCCCCCCCCCO 7a_200000230433_100009813782 [0,0,0,0,0,0|2,0,2]=4 909 B16R0.303 CCNCCCCCCCCCCCCCO 2230a_100015525214_100009812470 [0,0,0,0,0,0|1,0,2]=3 910 B16R0.303 CCOCCCCCCCCCCCCCO 34a_100121572206_100009812470 [0,0,0,0,0,0|1,0,2]=3 911 B16R0.303 CCOCCCCCCCCCOCCC#N 7a_100009875440_100000184422 [0,0,0,0,0,0|3,0,1]=4 912 B16R0.303 CCOCCCCCCCCCOCCCF 34a_100009875440_100011934791 [0,0,0,0,0,0|3,0,1]=4 913 B16R0.303 CCOCCCCCCCCCOCCCF 7a_100009875440_100011934791 [0,0,0,0,0,0|3,0,1]=4 914 B16R0.303 CCOCCCCCCCCCOCCCO 34a_100009875440_100000230001 [0,0,0,0,0,0|2,0,2]=4 915 B16R0.303 CCOCCCCCCCCCOCCCO 7a_100009875440_100011215043 [0,0,0,0,0,0|2,0,2]=4 916 B16R0.303 CCOCCCCCCCCCOCCOC 34a_100009875440_100011201679 [0,0,0,0,0,0|4,0,0]=4 917 B16R0.303 CCOCCCCCCCCCOCCOC 7a_100009875440_100000233755 [0,0,0,0,0,0|4,0,0]=4 918 B16R0.303 CCOCCCCCCCCCOCCSC 34a_100009875440_100000212216 [0,0,0,0,0,0|4,0,0]=4 919 B16R0.303 CCOCCCCCCCCCOCCSC 7a_100009875440_100000212216 [0,0,0,0,0,0|4,0,0]=4 920 B16R0.303 CCOCCCNCCCCCCCCCO 2230a_100000078944_100012232248 [0,0,0,0,0,0|2,0,2]=4 921 B16R0.303 CCOCCCNCCCCCCCCCO 2230a_100000210961_100009813782 [0,0,0,0,0,0|2,0,2]=4 922 B16R0.303 CCOCCCNCCCCCCCCCO 34a_100000078944_100012232248 [0,0,0,0,0,0|2,0,2]=4 923 B16R0.303 CCOCCCNCCCCCCCCCO 34a_100000210961_100009813782 [0,0,0,0,0,0|2,0,2]=4 924 B16R0.303 CCOCCCOCCCCCCCCCBr 34a_100009813782_100012232248 [0,0,0,0,0,0|3,0,1]=4 925 B16R0.303 CCOCCCOCCCCCCCCCBr 7a_100009813782_100012232248 [0,0,0,0,0,0|3,0,1]=4 926 B16R0.303 CCOCCCOCCCCCCCCCCl 34a_100009868337_100012232248 [0,0,0,0,0,0|3,0,1]=4 927 B16R0.303 CCOCCCOCCCCCCCCCCl 7a_100009868337_100012232248 [0,0,0,0,0,0|3,0,1]=4 928 B16R0.303 CCOCCCOCCCCCCCCCN 34a_100000078944_100012232248 [0,0,0,0,0,0|3,0,1]=4 929 B16R0.303 CCOCCCOCCCCCCCCCO 34a_100000757476_100009813782 [0,0,0,0,0,0|2,0,2]=4 930 B16R0.303 CCOCCCOCCCCCCCCCO 7a_100000757476_100009813782 [0,0,0,0,0,0|2,0,2]=4 931 B16R0.303 CCOCCCSCCCCCCCCCO 62a_100009813782_100012232248 [0,0,0,0,0,0|2,0,2]=4 932 B16R0.303 CCOCCCSCCCCCCCCCO 62a_100012232248_100009813782 [0,0,0,0,0,0|2,0,2]=4 933 B16R0.303 CCOCCNCCCCCCCCCCO 2230a_100000066964_100011215890 [0,0,0,0,0,0|2,0,2]=4 934 B16R0.303 CCOCCNCCCCCCCCCCO 2230a_102516460346_100009813290 [0,0,0,0,0,0|2,0,2]=4 935 B16R0.303 CCOCCNCCCCCCCCCCO 34a_100000066964_100000210147 [0,0,0,0,0,0|2,0,2]=4 936 B16R0.303 CCOCCNCCCCCCCCCCO 34a_102516460346_100009813290 [0,0,0,0,0,0|2,0,2]=4 937 B16R0.303 CCOCCOCCCCCCCCCCBr 34a_100009813290_100000210147 [0,0,0,0,0,0|3,0,1]=4 938 B16R0.303 CCOCCOCCCCCCCCCCBr 7a_100009813290_100011215890 [0,0,0,0,0,0|3,0,1]=4 939 B16R0.303 CCOCCOCCCCCCCCCCCl 34a_200000033068_100000210147 [0,0,0,0,0,0|3,0,1]=4 940 B16R0.303 CCOCCOCCCCCCCCCCCl 7a_200000033068_100011215890 [0,0,0,0,0,0|3,0,1]=4 941 B16R0.303 CCOCCOCCCCCCCCCCN 34a_100000066964_100000210147 [0,0,0,0,0,0|3,0,1]=4 942 B16R0.303 CCOCCOCCCCCCCCCCO 34a_100000210136_100009813290 [0,0,0,0,0,0|2,0,2]=4 943 B16R0.303 CCOCCOCCCCCCCCCCO 7a_100000210136_100009813290 [0,0,0,0,0,0|2,0,2]=4 944 B16R0.303 CCOCCOCCOCCNCCCC=O 2230a_100012282185_200011292268 [0,0,0,0,0,0|4,0,0]=4 945 B16R0.303 CCOCCOCCOCCOCCCC=O 7a_100000033264_200011292268 [0,0,0,0,0,0|4,0,0]=4 946 B16R0.303 CCOCCSCCCCCCCCCCO 62a_100000210147_200000033068 [0,0,0,0,0,0|2,0,2]=4 947 B16R0.303 CCOCCSCCCCCCCCCCO 62a_100009813290_100011215890 [0,0,0,0,0,0|2,0,2]=4 948 B16R0.303 CCOCSCCCCCCCCCCCO 62a_100009812471_100000739092 [0,0,0,0,0,0|2,0,2]=4 949 B16R0.303 CCSCCCOCCCCCCCCCO 34a_100011216438_100009813782 [0,0,0,0,0,0|2,0,2]=4 950 B16R0.303 CCSCCCOCCCCCCCCCO 7a_100011216438_100009813782 [0,0,0,0,0,0|2,0,2]=4 951 B16R0.303 CCSCCNCCCCCCCCCCO 2230a_100000066964_100000757381 [0,0,0,0,0,0|2,0,2]=4 952 B16R0.303 CCSCCNCCCCCCCCCCO 2230a_100000106463_100009813290 [0,0,0,0,0,0|2,0,2]=4 953 B16R0.303 CCSCCNCCCCCCCCCCO 34a_100000066964_100000757381 [0,0,0,0,0,0|2,0,2]=4 954 B16R0.303 CCSCCOCCCCCCCCCCN 34a_100000066964_100000757381 [0,0,0,0,0,0|3,0,1]=4 955 B16R0.303 CCSCCOCCCCCCCCCCO 34a_100000212035_100009813290 [0,0,0,0,0,0|2,0,2]=4 956 B16R0.303 CCSCCOCCCCCCCCCCO 7a_100000212035_100009813290 [0,0,0,0,0,0|2,0,2]=4 957 B16R0.303 CCSCCSCCCCCCCCCCO 62a_100000757381_200000033068 [0,0,0,0,0,0|2,0,2]=4 958 B16R0.303 CCSCCSCCCCCCCCCCO 62a_100009813290_100000757381 [0,0,0,0,0,0|2,0,2]=4 959 B16R0.303 CNCCCCCCCCCCCCCCO 2230a_106832991635_100009828009 [0,0,0,0,0,0|1,0,2]=3 960 B16R0.303 CNCCCCCCCCCCCCCCO 34a_100102657272_100009828009 [0,0,0,0,0,0|1,0,2]=3 961 B16R0.303 CNCCCCCCCCCCCCCCO 7a_106832991635_100009828009 [0,0,0,0,0,0|1,0,2]=3 962 B16R0.303 CNCCCCCOCCCCCCCCO 34a_100000722520_100000033203 [0,0,0,0,0,0|2,0,2]=4 963 B16R0.303 CNCCCOCCCCCCCCCCO 34a_100000213112_100009813290 [0,0,0,0,0,0|2,0,2]=4 964 B16R0.303 COCCCCCCCCCCCCCCO 34a_100138415774_100009828009 [0,0,0,0,0,0|1,0,2]=3 965 B16R0.303 COCCCCCCNCCCCCCCO 2230a_100011996573_100011998445 [0,0,0,0,0,0|2,0,2]=4 966 B16R0.303 COCCCCCCNCCCCCCCO 34a_100011996573_100011998445 [0,0,0,0,0,0|2,0,2]=4 967 B16R0.303 COCCCCCCOCCCCCCC#N 7a_200012092642_100009813337 [0,0,0,0,0,0|3,0,1]=4 968 B16R0.303 COCCCCCCOCCCCCCCBr 34a_100000760002_100011998445 [0,0,0,0,0,0|3,0,1]=4 969 B16R0.303 COCCCCCCOCCCCCCCBr 7a_100000760002_100011998445 [0,0,0,0,0,0|3,0,1]=4 970 B16R0.303 COCCCCCCOCCCCCCCN 34a_100011996573_100011998445 [0,0,0,0,0,0|3,0,1]=4 971 B16R0.303 COCCCCCCOCCCCCCCO 34a_200012092642_100000760002 [0,0,0,0,0,0|2,0,2]=4 972 B16R0.303 COCCCCCCOCCCCCCCO 7a_200012092642_100000760002 [0,0,0,0,0,0|2,0,2]=4 973 B16R0.303 COCCCCCCOCCCCCCOC 34a_200012092642_100011998445 [0,0,0,0,0,0|4,0,0]=4 974 B16R0.303 COCCCCCCOCCCCCCOC 7a_200012092642_100011998445 [0,0,0,0,0,0|4,0,0]=4 975 B16R0.303 COCCCCCCSCCCCCCC#N 62a_100009813337_100011998445 [0,0,0,0,0,0|3,0,1]=4 976 B16R0.303 COCCCCCCSCCCCCCC#N 62a_100011998445_100009813337 [0,0,0,0,0,0|3,0,1]=4 977 B16R0.303 COCCCCCCSCCCCCCCO 62a_100000760002_100011998445 [0,0,0,0,0,0|2,0,2]=4 978 B16R0.303 COCCCCCCSCCCCCCCO 62a_100011998445_100000760002 [0,0,0,0,0,0|2,0,2]=4 979 B16R0.303 COCCCCCCSCCCCCCOC 62a_100011998445_100011998445 [0,0,0,0,0,0|4,0,0]=4 980 B16R0.303 COCCCCCNCCCCCCCCO 2230a_100000747528_100000033203 [0,0,0,0,0,0|2,0,2]=4 981 B16R0.303 COCCCCCNCCCCCCCCO 34a_100000747528_100000033203 [0,0,0,0,0,0|2,0,2]=4 982 B16R0.303 COCCCCNCCCCCCCCCO 2230a_100000078944_100000730899 [0,0,0,0,0,0|2,0,2]=4 983 B16R0.303 COCCCCNCCCCCCCCCO 34a_100000078944_100000755781 [0,0,0,0,0,0|2,0,2]=4 984 B16R0.303 COCCCCOCCCCCCCCCBr 34a_100009813782_100000755781 [0,0,0,0,0,0|3,0,1]=4 985 B16R0.303 COCCCCOCCCCCCCCCBr 7a_100009813782_100000730899 [0,0,0,0,0,0|3,0,1]=4 986 B16R0.303 COCCCCOCCCCCCCCCCl 34a_100009868337_100000755781 [0,0,0,0,0,0|3,0,1]=4 987 B16R0.303 COCCCCOCCCCCCCCCCl 7a_100009868337_100000730899 [0,0,0,0,0,0|3,0,1]=4 988 B16R0.303 COCCCCOCCCCCCCCCN 34a_100000078944_100000755781 [0,0,0,0,0,0|3,0,1]=4 989 B16R0.303 COCCCCOCCCCCCCCCO 34a_100000740925_100009813782 [0,0,0,0,0,0|2,0,2]=4 990 B16R0.303 COCCCCSCCCCCCCCCO 62a_100000730899_100009813782 [0,0,0,0,0,0|2,0,2]=4 991 B16R0.303 COCCCCSCCCCCCCCCO 62a_100009813782_100000730899 [0,0,0,0,0,0|2,0,2]=4 992 B16R0.303 COCCCNCCCCCCCCCCO 2230a_100000066964_100000740836 [0,0,0,0,0,0|2,0,2]=4 993 B16R0.303 COCCCNCCCCCCCCCCO 34a_100000066964_100000740836 [0,0,0,0,0,0|2,0,2]=4 994 B16R0.303 COCCCNCCCCCCCCCCO 34a_100150723488_100009813290 [0,0,0,0,0,0|2,0,2]=4 995 B16R0.303 COCCCOCCCCCCCCCCBr 34a_100009813290_100000740836 [0,0,0,0,0,0|3,0,1]=4 996 B16R0.303 COCCCOCCCCCCCCCCBr 7a_100009813290_100000740836 [0,0,0,0,0,0|3,0,1]=4 997 B16R0.303 COCCCOCCCCCCCCCCCl 34a_200000033068_100000740836 [0,0,0,0,0,0|3,0,1]=4 998 B16R0.303 COCCCOCCCCCCCCCCCl 7a_200000033068_100000740836 [0,0,0,0,0,0|3,0,1]=4 999 B16R0.303 COCCCOCCCCCCCCCCN 34a_100000066964_100000740836 [0,0,0,0,0,0|3,0,1]=4 1000 B16R0.303 COCCCOCCCCCCCCCCO 34a_100000740835_100009813290 [0,0,0,0,0,0|2,0,2]=4 1001 B16R0.303 COCCCOCCCOCCCCCC=O 7a_200011215475_100000139337 [0,0,0,0,0,0|3,0,0]=3 1002 B16R0.303 COCCCSCCCCCCCCCCO 62a_100000709357_200000033068 [0,0,0,0,0,0|2,0,2]=4 1003 B16R0.303 COCCCSCCCCCCCCCCO 62a_100009813290_100000709357 [0,0,0,0,0,0|2,0,2]=4 1004 B16R0.303 COCCNCCCCCCCCCCCO 2230a_100000209980_100009812471 [0,0,0,0,0,0|2,0,2]=4 1005 B16R0.303 COCCOCCCCCCCCCCCBr 34a_100009812471_100011201679 [0,0,0,0,0,0|3,0,1]=4 1006 B16R0.303 COCCOCCCCCCCCCCCBr 7a_100009812471_100000233755 [0,0,0,0,0,0|3,0,1]=4 1007 B16R0.303 COCCOCCCCCCCCCCCO 34a_100000210237_100009812471 [0,0,0,0,0,0|2,0,2]=4 1008 B16R0.303 COCCOCCOCCNCCCCC=O 2230a_100012028300_100000139335 [0,0,0,0,0,0|4,0,0]=4 1009 B16R0.303 COCCOCCOCCOCCCCC=O 7a_100000688194_100000139335 [0,0,0,0,0,0|4,0,0]=4 1010 B16R0.303 COCCOCCOCCSCCCCC=O 62a_100000139335_100013367474 [0,0,0,0,0,0|4,0,0]=4 1011 B16R0.303 COCCOCCOCCSCCCCC=O 62a_100013367474_100000139335 [0,0,0,0,0,0|4,0,0]=4 1012 B16R0.303 COCCSCCCCCCCCCCCO 62a_100009812471_100000233755 [0,0,0,0,0,0|2,0,2]=4 1013 B16R0.303 COCNCCCCCCCCCCCCO 2230a_100000066677_100000766300 [0,0,0,0,0,0|2,0,2]=4 1014 B16R0.303 COCSCCCCCCCCCCCCO 62a_100009813331_100000766300 [0,0,0,0,0,0|2,0,2]=4 1015 B16R0.303 CSCCCCOCCCCCCCCCO 34a_100011217163_100009813782 [0,0,0,0,0,0|2,0,2]=4 1016 B16R0.303 CSCCCCOCCCCCCCCCO 7a_100011217163_100009813782 [0,0,0,0,0,0|2,0,2]=4 1017 B16R0.303 CSCCCNCCCCCCCCCCO 2230a_100000749238_100009813290 [0,0,0,0,0,0|2,0,2]=4 1018 B16R0.303 CSCCCOCCCCCCCCCCO 34a_100000690336_100009813290 [0,0,0,0,0,0|2,0,2]=4 1019 B16R0.303 CSCCCOCCCCCCCCCCO 7a_100000690336_100009813290 [0,0,0,0,0,0|2,0,2]=4 1020 B16R0.303 CSCCNCCCCCCCCCCCO 2230a_100020590264_100009812471 [0,0,0,0,0,0|2,0,2]=4 1021 B16R0.303 CSCCOCCCCCCCCCCCO 34a_100000230434_100009812471 [0,0,0,0,0,0|2,0,2]=4 1022 B16R0.303 CSCCOCCCCCCCCCCCO 7a_100000230434_100009812471 [0,0,0,0,0,0|2,0,2]=4 1023 B16R0.303 CSCCSCCCCCCCCCCCO 62a_100009812471_100000751147 [0,0,0,0,0,0|2,0,2]=4 1024 B16R0.303 CSCNCCCCCCCCCCCCO 2230a_100000066677_100011218213 [0,0,0,0,0,0|2,0,2]=4 1025 B16R0.303 CSCNCCCCCCCCCCCCO 34a_100000066677_100011218213 [0,0,0,0,0,0|2,0,2]=4 1026 B16R0.303 CSCOCCCCCCCCCCCCN 34a_100000066677_100011218213 [0,0,0,0,0,0|3,0,1]=4 1027 B16R0.303 CSCSCCCCCCCCCCCCO 62a_100009813331_100011218213 [0,0,0,0,0,0|2,0,2]=4 1028 B16R0.303 N#CCCCCCCNCCCCCCCO 2230a_100011996573_100009813337 [0,0,0,0,0,0|3,0,1]=4 1029 B16R0.303 N#CCCCCCCOCCCCCCCBr 7a_100000760002_100009813337 [0,0,0,0,0,0|3,0,1]=4 1030 B16R0.303 N#CCCCCCCSCCCCCCCO 62a_100000760002_100009813337 [0,0,0,0,0,0|3,0,1]=4 1031 B16R0.303 N#CCCCCCCSCCCCCCCO 62a_100009813337_100000760002 [0,0,0,0,0,0|3,0,1]=4 1032 B16R0.303 N#CCCCCCNCCCCCCCCO 2230a_102515433106_100009813376 [0,0,0,0,0,0|3,0,1]=4 1033 B16R0.303 N#CCCCCCOCCCCCCCCBr 7a_100009813846_100009813376 [0,0,0,0,0,0|3,0,1]=4 1034 B16R0.303 N#CCCCCCOCCCCCCCCCl 7a_100000033203_100009813376 [0,0,0,0,0,0|3,0,1]=4 1035 B16R0.303 N#CCCCCCSCCCCCCCCO 62a_100000033203_100009813376 [0,0,0,0,0,0|3,0,1]=4 1036 B16R0.303 N#CCCCCCSCCCCCCCCO 62a_100009813376_100000033203 [0,0,0,0,0,0|3,0,1]=4 1037 B16R0.303 N#CCCCCNCCCCCCCCCO 2230a_100000078944_100000211819 [0,0,0,0,0,0|3,0,1]=4 1038 B16R0.303 N#CCCCCOCCCCCCCCCBr 7a_100009813782_100000211819 [0,0,0,0,0,0|3,0,1]=4 1039 B16R0.303 N#CCCCCOCCCCCCCCCCl 7a_100009868337_100000211819 [0,0,0,0,0,0|3,0,1]=4 1040 B16R0.303 N#CCCCCSCCCCCCCCCO 62a_100009813782_100000211819 [0,0,0,0,0,0|3,0,1]=4 1041 B16R0.303 N#CCCCCSCCCCCCCCCO 62a_100011219923_100009813782 [0,0,0,0,0,0|3,0,1]=4 1042 B16R0.303 N#CCCCNCCCCCCCCCCO 2230a_100000066964_100000687738 [0,0,0,0,0,0|3,0,1]=4 1043 B16R0.303 N#CCCCOCCCCCCCCCCBr 7a_100009813290_100000687738 [0,0,0,0,0,0|3,0,1]=4 1044 B16R0.303 N#CCCCOCCCCCCCCCCCl 7a_200000033068_100000687738 [0,0,0,0,0,0|3,0,1]=4 1045 B16R0.303 N#CCCCSCCCCCCCCCCO 62a_100000687738_200000033068 [0,0,0,0,0,0|3,0,1]=4 1046 B16R0.303 N#CCCCSCCCCCCCCCCO 62a_100009813290_100000687738 [0,0,0,0,0,0|3,0,1]=4 1047 B16R0.303 N#CCCOCCCCCCCCCCCBr 7a_100009812471_100000184422 [0,0,0,0,0,0|3,0,1]=4 1048 B16R0.303 N#CCCSCCCCCCCCCCCO 62a_100009812471_100011215226 [0,0,0,0,0,0|3,0,1]=4 1049 B16R0.303 N#CCNCCCCCCCCCCCCO 2230a_100000066677_100011215382 [0,0,0,0,0,0|3,0,1]=4 1050 B16R0.303 N#CCOCCCCCCCCCCCCBr 7a_100009813331_100011215382 [0,0,0,0,0,0|3,0,1]=4 1051 B16R0.303 N#CCSCCCCCCCCCCCCO 62a_100009813331_100011215382 [0,0,0,0,0,0|3,0,1]=4 1052 B16R0.303 NCCCCCCCCCCCCOCC=O 34a_100000066677_200009817547 [0,0,0,0,0,0|2,0,0]=2 1053 B16R0.303 NCCCCCCCCCCCCOCCF 34a_100000066677_100011217306 [0,0,0,0,0,0|3,0,1]=4 1054 B16R0.303 NCCCCCCCCCCCCOCCO 34a_100000066677_100000211926 [0,0,0,0,0,0|2,0,2]=4 1055 B16R0.303 NCCCCCCCCCCOCCCCF 34a_100000066964_100000729493 [0,0,0,0,0,0|3,0,1]=4 1056 B16R0.303 NCCCCCCCCCCOCCCCO 34a_100000066964_100011216708 [0,0,0,0,0,0|2,0,2]=4 1057 B16R0.303 NCCCCCCCCCOCCCCCF 34a_100000078944_100000729378 [0,0,0,0,0,0|3,0,1]=4 1058 B16R0.303 NCCCCCCCCCOCCCCCO 34a_100000078944_100000746330 [0,0,0,0,0,0|2,0,2]=4 1059 B16R0.303 NCCCCCCCCOCCCCCCF 34a_102515433106_100015922095 [0,0,0,0,0,0|3,0,1]=4 1060 B16R0.303 NCCCCCCCCOCCCCCCO 34a_102515433106_100000766143 [0,0,0,0,0,0|2,0,2]=4 1061 B16R0.303 NCCCCCCCOCCCCCCCO 34a_100011996573_100000760002 [0,0,0,0,0,0|2,0,2]=4 1062 B16R0.303 NCCCCCCOCCCCCCCCO 34a_100000686447_100000033203 [0,0,0,0,0,0|2,0,2]=4 1063 B16R0.303 NCCCCCOCCCCCCCCCO 34a_100000762737_100009813782 [0,0,0,0,0,0|2,0,2]=4 1064 B16R0.303 NCCCCOCCCCCCCCCCO 34a_100000750430_100009813290 [0,0,0,0,0,0|2,0,2]=4 1065 B16R0.303 NCCCOCCCCCCCCCCCO 34a_100000182051_100009812471 [0,0,0,0,0,0|2,0,2]=4 1066 B16R0.303 NCCOCCCCCCCCCCCCO 34a_100000210304_100009813331 [0,0,0,0,0,0|2,0,2]=4 1067 B16R0.303 NOCCOCCCCCCCCCCCO 34a_100000700252_100009812471 [0,0,0,0,0,0|4,0,0]=4 1068 B16R0.303 O=CCCCCCNCCCCCCCCO 2230a_102515433106_100000139337 [0,0,0,0,0,0|2,0,0]=2 1069 B16R0.303 O=CCCCCCNCCOCCOCCO 2230a_100011998139_100000139337 [0,0,0,0,0,0|4,0,0]=4 1070 B16R0.303 O=CCCCCCOCCCCCCCCBr 7a_100009813846_100000139337 [0,0,0,0,0,0|2,0,0]=2 1071 B16R0.303 O=CCCCCCOCCCCCCCCCl 7a_100000033203_100000139337 [0,0,0,0,0,0|2,0,0]=2 1072 B16R0.303 O=CCCCCCOCCOCCOCCBr 7a_100010132937_100000139337 [0,0,0,0,0,0|4,0,0]=4 1073 B16R0.303 O=CCCCCCOCCOCCOCCCl 7a_100000032323_100000139337 [0,0,0,0,0,0|4,0,0]=4 1074 B16R0.303 O=CCCCCCSCCCCCCCCO 62a_100000033203_100000139337 [0,0,0,0,0,0|2,0,0]=2 1075 B16R0.303 O=CCCCCCSCCCCCCCCO 62a_100000139337_100000033203 [0,0,0,0,0,0|2,0,0]=2 1076 B16R0.303 O=CCCCCCSCCOCCOCCO 62a_100000032323_100000139337 [0,0,0,0,0,0|4,0,0]=4 1077 B16R0.303 O=CCCCCCSCCOCCOCCO 62a_100000139337_100000032323 [0,0,0,0,0,0|4,0,0]=4 1078 B16R0.303 O=CCCCCNCCCCCCCCCO 2230a_100000078944_100000139335 [0,0,0,0,0,0|2,0,0]=2 1079 B16R0.303 O=CCCCCNCCCOCCOCCO 2230a_100011996194_100000139335 [0,0,0,0,0,0|4,0,0]=4 1080 B16R0.303 O=CCCCCOCCCCCCCCCBr 7a_100009813782_100000139335 [0,0,0,0,0,0|2,0,0]=2 1081 B16R0.303 O=CCCCCOCCCCCCCCCCl 7a_100009868337_100000139335 [0,0,0,0,0,0|2,0,0]=2 1082 B16R0.303 O=CCCCCSCCCCCCCCCO 62a_100000139335_100009813782 [0,0,0,0,0,0|2,0,0]=2 1083 B16R0.303 O=CCCCCSCCCCCCCCCO 62a_100009813782_100000139335 [0,0,0,0,0,0|2,0,0]=2 1084 B16R0.303 O=CCCCNCCCCCCCCCCO 2230a_100000066964_200011292268 [0,0,0,0,0,0|2,0,0]=2 1085 B16R0.303 O=CCCCOCCCCCCCCCCBr 7a_100009813290_200011292268 [0,0,0,0,0,0|2,0,0]=2 1086 B16R0.303 O=CCCCOCCCCCCCCCCCl 7a_200000033068_200011292268 [0,0,0,0,0,0|2,0,0]=2 1087 B16R0.303 O=CCCCSCCCCCCCCCCO 62a_100009813290_200011292268 [0,0,0,0,0,0|2,0,0]=2 1088 B16R0.303 O=CCCCSCCCCCCCCCCO 62a_200011292268_200000033068 [0,0,0,0,0,0|2,0,0]=2 1089 B16R0.303 O=CCNCCCCCCCCCCCCO 2230a_100000066677_200015260668 [0,0,0,0,0,0|2,0,0]=2 1090 B16R0.303 O=CCNCCCCCCCCCCCCO 34a_100000066677_200009817547 [0,0,0,0,0,0|2,0,0]=2 1091 B16R0.303 O=CCOCCCCCCCCCCCCBr 34a_100009813331_200009817547 [0,0,0,0,0,0|2,0,0]=2 1092 B16R0.303 O=CCOCCCCCCCCCCCCBr 7a_100009813331_200015260668 [0,0,0,0,0,0|2,0,0]=2 1093 B16R0.303 O=CCOCCCCCOCCCCCCCl 34a_200132310570_200009817547 [0,0,0,0,0,0|3,0,0]=3 1094 B16R0.303 O=CCOCCCCCOCCCCCCCl 7a_200132310570_200015260668 [0,0,0,0,0,0|3,0,0]=3 1095 B16R0.303 O=CCSCCCCCCCCCCCCO 62a_100009813331_200015260668 [0,0,0,0,0,0|2,0,0]=2 1096 B16R0.303 O=CCSCCCCCCOCCCCCO 62a_200015260668_200132310570 [0,0,0,0,0,0|3,0,0]=3 1097 B16R0.303 O=CCSCCCCCCOCCCCCO 62a_200132310570_200015260668 [0,0,0,0,0,0|3,0,0]=3 1098 B16R0.303 OCCCCCCCCCCCCCSCF 62a_100009812470_100015361967 [0,0,0,0,0,0|2,0,2]=4 1099 B16R0.303 OCCCCCCCCCCCCNCCF 2230a_100000066677_100011217306 [0,0,0,0,0,0|2,0,2]=4 1100 B16R0.303 OCCCCCCCCCCCCNCCF 34a_100000066677_100011217306 [0,0,0,0,0,0|2,0,2]=4 1101 B16R0.303 OCCCCCCCCCCCCNCCF 34a_100000724931_100009813331 [0,0,0,0,0,0|2,0,2]=4 1102 B16R0.303 OCCCCCCCCCCCCNCCO 2230a_100000066677_100000211926 [0,0,0,0,0,0|2,0,2]=4 1103 B16R0.303 OCCCCCCCCCCCCNCCO 2230a_100016997473_100009813331 [0,0,0,0,0,0|2,0,2]=4 1104 B16R0.303 OCCCCCCCCCCCCNCCO 34a_100000066677_100000211926 [0,0,0,0,0,0|2,0,2]=4 1105 B16R0.303 OCCCCCCCCCCCCNCCO 34a_100016990907_100009813331 [0,0,0,0,0,0|2,0,2]=4 1106 B16R0.303 OCCCCCCCCCCCCOCCBr 34a_100000211926_100009813331 [0,0,0,0,0,0|2,0,2]=4 1107 B16R0.303 OCCCCCCCCCCCCSCCF 62a_100009813331_100011217306 [0,0,0,0,0,0|2,0,2]=4 1108 B16R0.303 OCCCCCCCCCCCCSCCO 62a_100009813331_100000211926 [0,0,0,0,0,0|2,0,2]=4 1109 B16R0.303 OCCCCCCCCCCCNCCCF 2230a_100015189416_100009812471 [0,0,0,0,0,0|2,0,2]=4 1110 B16R0.303 OCCCCCCCCCCCNCCCF 34a_100015189416_100009812471 [0,0,0,0,0,0|2,0,2]=4 1111 B16R0.303 OCCCCCCCCCCCOCCCBr 34a_100011217188_100009812471 [0,0,0,0,0,0|2,0,2]=4 1112 B16R0.303 OCCCCCCCCCCCOCCCCl 34a_100000230001_100009812471 [0,0,0,0,0,0|2,0,2]=4 1113 B16R0.303 OCCCCCCCCCCCOCCCF 34a_100000759539_100009812471 [0,0,0,0,0,0|2,0,2]=4 1114 B16R0.303 OCCCCCCCCCCCSCCCF 62a_100009812471_100011934791 [0,0,0,0,0,0|2,0,2]=4 1115 B16R0.303 OCCCCCCCCCCCSCCCO 62a_100009812471_100011215043 [0,0,0,0,0,0|2,0,2]=4 1116 B16R0.303 OCCCCCCCCCCNCCCCF 2230a_100000066964_100000729493 [0,0,0,0,0,0|2,0,2]=4 1117 B16R0.303 OCCCCCCCCCCNCCCCF 34a_100000066964_100000729493 [0,0,0,0,0,0|2,0,2]=4 1118 B16R0.303 OCCCCCCCCCCNCCCCO 2230a_100000066964_100000210776 [0,0,0,0,0,0|2,0,2]=4 1119 B16R0.303 OCCCCCCCCCCNCCCCO 2230a_100000750430_100009813290 [0,0,0,0,0,0|2,0,2]=4 1120 B16R0.303 OCCCCCCCCCCNCCCCO 34a_100000066964_100011216708 [0,0,0,0,0,0|2,0,2]=4 1121 B16R0.303 OCCCCCCCCCCNCCCCO 34a_100000750430_100009813290 [0,0,0,0,0,0|2,0,2]=4 1122 B16R0.303 OCCCCCCCCCCOCCCCBr 34a_100011216708_100009813290 [0,0,0,0,0,0|2,0,2]=4 1123 B16R0.303 OCCCCCCCCCCOCCCCCl 34a_100000210776_100009813290 [0,0,0,0,0,0|2,0,2]=4 1124 B16R0.303 OCCCCCCCCCCOCCCCCl 7a_100000210776_100009813290 [0,0,0,0,0,0|2,0,2]=4 1125 B16R0.303 OCCCCCCCCCCOCCCCF 34a_100011995726_100009813290 [0,0,0,0,0,0|2,0,2]=4 1126 B16R0.303 OCCCCCCCCCCOCCCCF 7a_100011995726_100009813290 [0,0,0,0,0,0|2,0,2]=4 1127 B16R0.303 OCCCCCCCCCCOCCCCI 34a_200012148704_100009813290 [0,0,0,0,0,0|2,0,2]=4 1128 B16R0.303 OCCCCCCCCCCSCCCCF 62a_100000729493_200000033068 [0,0,0,0,0,0|2,0,2]=4 1129 B16R0.303 OCCCCCCCCCCSCCCCF 62a_100009813290_100000729493 [0,0,0,0,0,0|2,0,2]=4 1130 B16R0.303 OCCCCCCCCCCSCCCCO 62a_100000210776_200000033068 [0,0,0,0,0,0|2,0,2]=4 1131 B16R0.303 OCCCCCCCCCCSCCCCO 62a_100009813290_100000210776 [0,0,0,0,0,0|2,0,2]=4 1132 B16R0.303 OCCCCCCCCCNCCCCCF 2230a_100000078944_100000729378 [0,0,0,0,0,0|2,0,2]=4 1133 B16R0.303 OCCCCCCCCCNCCCCCF 34a_100000078944_100000729378 [0,0,0,0,0,0|2,0,2]=4 1134 B16R0.303 OCCCCCCCCCNCCCCCO 2230a_100000078944_100000746330 [0,0,0,0,0,0|2,0,2]=4 1135 B16R0.303 OCCCCCCCCCNCCCCCO 2230a_100000762737_100009813782 [0,0,0,0,0,0|2,0,2]=4 1136 B16R0.303 OCCCCCCCCCNCCCCCO 34a_100000078944_100000746330 [0,0,0,0,0,0|2,0,2]=4 1137 B16R0.303 OCCCCCCCCCNCCCCCO 34a_100000762737_100009813782 [0,0,0,0,0,0|2,0,2]=4 1138 B16R0.303 OCCCCCCCCCOCCCCCBr 34a_100000746331_100009813782 [0,0,0,0,0,0|2,0,2]=4 1139 B16R0.303 OCCCCCCCCCOCCCCCBr 7a_100000746331_100009813782 [0,0,0,0,0,0|2,0,2]=4 1140 B16R0.303 OCCCCCCCCCOCCCCCCl 34a_100000746330_100009813782 [0,0,0,0,0,0|2,0,2]=4 1141 B16R0.303 OCCCCCCCCCOCCCCCCl 7a_100000746330_100009813782 [0,0,0,0,0,0|2,0,2]=4 1142 B16R0.303 OCCCCCCCCCOCCCCCI 34a_200012148887_100009813782 [0,0,0,0,0,0|2,0,2]=4 1143 B16R0.303 OCCCCCCCCCOCCCCCI 7a_200012148887_100009813782 [0,0,0,0,0,0|2,0,2]=4 1144 B16R0.303 OCCCCCCCCCSCCCCCF 62a_100000729378_100009813782 [0,0,0,0,0,0|2,0,2]=4 1145 B16R0.303 OCCCCCCCCCSCCCCCF 62a_100009813782_100000729378 [0,0,0,0,0,0|2,0,2]=4 1146 B16R0.303 OCCCCCCCCCSCCCCCO 62a_100000746330_100009813782 [0,0,0,0,0,0|2,0,2]=4 1147 B16R0.303 OCCCCCCCCCSCCCCCO 62a_100009813782_100000746330 [0,0,0,0,0,0|2,0,2]=4 1148 B16R0.303 OCCCCCCCCNCCCCCCF 2230a_102515433106_100015922095 [0,0,0,0,0,0|2,0,2]=4 1149 B16R0.303 OCCCCCCCCNCCCCCCF 34a_102515433106_100015922095 [0,0,0,0,0,0|2,0,2]=4 1150 B16R0.303 OCCCCCCCCNCCCCCCO 2230a_100000686447_100000033203 [0,0,0,0,0,0|2,0,2]=4 1151 B16R0.303 OCCCCCCCCNCCCCCCO 2230a_102515433106_100000766143 [0,0,0,0,0,0|2,0,2]=4 1152 B16R0.303 OCCCCCCCCNCCCCCCO 34a_100000686447_100000033203 [0,0,0,0,0,0|2,0,2]=4 1153 B16R0.303 OCCCCCCCCNCCCCCCO 34a_102515433106_100000766143 [0,0,0,0,0,0|2,0,2]=4 1154 B16R0.303 OCCCCCCCCOCCCCCCBr 34a_100011215345_100000033203 [0,0,0,0,0,0|2,0,2]=4 1155 B16R0.303 OCCCCCCCCOCCCCCCBr 7a_100011215345_100000033203 [0,0,0,0,0,0|2,0,2]=4 1156 B16R0.303 OCCCCCCCCOCCCCCCCl 34a_100000766143_100000033203 [0,0,0,0,0,0|2,0,2]=4 1157 B16R0.303 OCCCCCCCCOCCCCCCCl 7a_100000766143_100000033203 [0,0,0,0,0,0|2,0,2]=4 1158 B16R0.303 OCCCCCCCCOCCCCCCF 34a_100000732779_100000033203 [0,0,0,0,0,0|2,0,2]=4 1159 B16R0.303 OCCCCCCCCOCCCCCCF 7a_100000732779_100000033203 [0,0,0,0,0,0|2,0,2]=4 1160 B16R0.303 OCCCCCCCCSCCCCCCF 62a_100000033203_100015922095 [0,0,0,0,0,0|2,0,2]=4 1161 B16R0.303 OCCCCCCCCSCCCCCCF 62a_100015922095_100000033203 [0,0,0,0,0,0|2,0,2]=4 1162 B16R0.303 OCCCCCCCCSCCCCCCO 62a_100000033203_100000766143 [0,0,0,0,0,0|2,0,2]=4 1163 B16R0.303 OCCCCCCCCSCCCCCCO 62a_100000766143_100000033203 [0,0,0,0,0,0|2,0,2]=4 1164 B16R0.303 OCCCCCCCNCCCCCCCO 2230a_100011996573_100000760002 [0,0,0,0,0,0|2,0,2]=4 1165 B16R0.303 OCCCCCCCNCCCCCCCO 34a_100011996573_100000760002 [0,0,0,0,0,0|2,0,2]=4 1166 B16R0.303 OCCCCCCCOCCCCCCCBr 34a_100000760002_100000760002 [0,0,0,0,0,0|2,0,2]=4 1167 B16R0.303 OCCCCCCCOCCCCCCCBr 7a_100000760002_100000760002 [0,0,0,0,0,0|2,0,2]=4 1168 B16R0.303 OCCCCCCCSCCCCCCCO 62a_100000760002_100000760002 [0,0,0,0,0,0|2,0,2]=4 1169 B16R0.303 OCCCCCCOCCCCCCCCBr 34a_100009813846_100000766143 [0,0,0,0,0,0|2,0,2]=4 1170 B16R0.303 OCCCCCCOCCCCCCCCBr 7a_100009813846_100000766143 [0,0,0,0,0,0|2,0,2]=4 1171 B16R0.303 OCCCCCCOCCCCCCCCCl 34a_100000033203_100000766143 [0,0,0,0,0,0|2,0,2]=4 1172 B16R0.303 OCCCCCCOCCCCCCCCCl 7a_100000033203_100000766143 [0,0,0,0,0,0|2,0,2]=4 1173 B16R0.303 OCCCCCOCCCCCCCCCBr 34a_100009813782_100000746330 [0,0,0,0,0,0|2,0,2]=4 1174 B16R0.303 OCCCCCOCCCCCCCCCBr 7a_100009813782_100000746330 [0,0,0,0,0,0|2,0,2]=4 1175 B16R0.303 OCCCCCOCCCCCCCCCCl 34a_100009868337_100000746330 [0,0,0,0,0,0|2,0,2]=4 1176 B16R0.303 OCCCCCOCCCCCCCCCCl 7a_100009868337_100000746330 [0,0,0,0,0,0|2,0,2]=4 1177 B16R0.303 OCCCCOCCCCCCCCCCBr 34a_100009813290_100011216708 [0,0,0,0,0,0|2,0,2]=4 1178 B16R0.303 OCCCCOCCCCCCCCCCBr 7a_100009813290_100000210776 [0,0,0,0,0,0|2,0,2]=4 1179 B16R0.303 OCCCCOCCCCCCCCCCCl 34a_200000033068_100011216708 [0,0,0,0,0,0|2,0,2]=4 1180 B16R0.303 OCCCCOCCCCCCCCCCCl 7a_200000033068_100000210776 [0,0,0,0,0,0|2,0,2]=4 1181 B16R0.303 OCCCOCCCCCCCCCCCBr 34a_100009812471_100000230001 [0,0,0,0,0,0|2,0,2]=4 1182 B16R0.303 OCCCOCCCCCCCCCCCBr 7a_100009812471_100011215043 [0,0,0,0,0,0|2,0,2]=4 1183 B16R0.303 OCCOCCCCCCCCCCCCBr 34a_100009813331_100000211926 [0,0,0,0,0,0|2,0,2]=4 1184 B16R0.303 OCCOCCCCCCCCCCCCBr 7a_100009813331_100000211926 [0,0,0,0,0,0|2,0,2]=4 1185 B16R0.303 [N-]=[N+]=NCCCCCCNCCCCCC=O 2230a_200000049180_100000139337 [0,0,0,0,0,0|4,0,0]=4 1186 B15R0.70 C#CCCCCCCCCCCOCC=O 34a_100000054667_200009817547 [1,0,0,0,0,0|1,0,2]=4 1187 B15R0.70 C#CCCCCCCCCCCOCC=O 7a_100000054667_200015260668 [1,0,0,0,0,0|1,0,2]=4 1188 B15R0.70 C#CCCCCCCCCCCOCCC 34a_100000054667_100000210303 [1,0,0,0,0,0|1,0,2]=4 1189 B15R0.70 C#CCCCCCCCCCCOCCC 7a_100000054667_100000210303 [1,0,0,0,0,0|1,0,2]=4 1190 B15R0.70 C#CCCCCCCCCCOCCCC 34a_100000034437_100000210210 [1,0,0,0,0,0|1,0,2]=4 1191 B15R0.70 C#CCCCCCCCCCOCCCC 7a_100000034437_100000210211 [1,0,0,0,0,0|1,0,2]=4 1192 B15R0.70 C#CCCCCCCCCOCCCC=O 7a_100000065265_200011292268 [1,0,0,0,0,0|1,0,2]=4 1193 B15R0.70 C#CCCCCCCCCOCCCCC 34a_100000065265_100000718602 [1,0,0,0,0,0|1,0,2]=4 1194 B15R0.70 C#CCCCCCCCCOCCCCC 7a_100000065265_100000210326 [1,0,0,0,0,0|1,0,2]=4 1195 B15R0.70 C#CCCCCCCCNCCCCCC 2230a_100000210581_100153394163 [1,0,0,0,0,0|1,0,2]=4 1196 B15R0.70 C#CCCCCCCCOCCCCC=O 7a_100000054614_100000139335 [1,0,0,0,0,0|1,0,2]=4 1197 B15R0.70 C#CCCCCCCCOCCCCCC 34a_100000054614_100000210314 [1,0,0,0,0,0|1,0,2]=4 1198 B15R0.70 C#CCCCCCCCOCCCCCC 34a_100000210259_100153394163 [1,0,0,0,0,0|1,0,2]=4 1199 B15R0.70 C#CCCCCCCCOCCCCCC 7a_100000054614_100000210314 [1,0,0,0,0,0|1,0,2]=4 1200 B15R0.70 C#CCCCCCCCOCCCCCC 7a_100000210259_100153394163 [1,0,0,0,0,0|1,0,2]=4 1201 B15R0.70 C#CCCCCCCCSCCCCC=O 62a_100000139335_100153394163 [1,0,0,0,0,0|1,0,2]=4 1202 B15R0.70 C#CCCCCCCCSCCCCC=O 62a_100153394163_100000139335 [1,0,0,0,0,0|1,0,2]=4 1203 B15R0.70 C#CCCCCCCNCCCCCCC 2230a_100000229938_100012276617 [1,0,0,0,0,0|1,0,2]=4 1204 B15R0.70 C#CCCCCCCOCCCCCC=O 7a_100011217361_100000139337 [1,0,0,0,0,0|1,0,2]=4 1205 B15R0.70 C#CCCCCCCOCCCCCCC 34a_100000210272_100012276617 [1,0,0,0,0,0|1,0,2]=4 1206 B15R0.70 C#CCCCCCCOCCCCCCC 34a_100011217361_100000210614 [1,0,0,0,0,0|1,0,2]=4 1207 B15R0.70 C#CCCCCCCOCCCCCCC 7a_100000210272_100012276617 [1,0,0,0,0,0|1,0,2]=4 1208 B15R0.70 C#CCCCCCCOCCCCCCC 7a_100011217361_100000210614 [1,0,0,0,0,0|1,0,2]=4 1209 B15R0.70 C#CCCCCCCSCCCCCC=O 62a_100000139337_100012276617 [1,0,0,0,0,0|1,0,2]=4 1210 B15R0.70 C#CCCCCCCSCCCCCC=O 62a_100012276617_100000139337 [1,0,0,0,0,0|1,0,2]=4 1211 B15R0.70 C#CCCCCCNCCCCCCCC 2230a_100000229939_100012094781 [1,0,0,0,0,0|1,0,2]=4 1212 B15R0.70 C#CCCCCCNCCCCCCCC 34a_100000229939_100012094781 [1,0,0,0,0,0|1,0,2]=4 1213 B15R0.70 C#CCCCCCOCCCCCCCC 34a_100000210232_100012094781 [1,0,0,0,0,0|1,0,2]=4 1214 B15R0.70 C#CCCCCCOCCCCCCCC 34a_100000766912_100000210759 [1,0,0,0,0,0|1,0,2]=4 1215 B15R0.70 C#CCCCCCOCCCCCCCC 7a_100000210232_100012094781 [1,0,0,0,0,0|1,0,2]=4 1216 B15R0.70 C#CCCCCCOCCCCCCCC 7a_100000766912_100000210759 [1,0,0,0,0,0|1,0,2]=4 1217 B15R0.70 C#CCCCCNCCCCCCCCC 2230a_100000212291_100010269958 [1,0,0,0,0,0|1,0,2]=4 1218 B15R0.70 C#CCCCCNCCCCCCCCC 2230a_100000706060_100011214924 [1,0,0,0,0,0|1,0,2]=4 1219 B15R0.70 C#CCCCCNCCCCCCCCC 34a_100000212291_100010269958 [1,0,0,0,0,0|1,0,2]=4 1220 B15R0.70 C#CCCCCNCCCCCCCCC 34a_100000706060_100011214924 [1,0,0,0,0,0|1,0,2]=4 1221 B15R0.70 C#CCCCCOCCCCCCCCC 34a_100000210712_100010269958 [1,0,0,0,0,0|1,0,2]=4 1222 B15R0.70 C#CCCCCOCCCCCCCCC 34a_100000766709_100011214924 [1,0,0,0,0,0|1,0,2]=4 1223 B15R0.70 C#CCCCCOCCCCCCCCC 7a_100000210712_100010269958 [1,0,0,0,0,0|1,0,2]=4 1224 B15R0.70 C#CCCCCOCCCCCCCCC 7a_100000766709_100000210328 [1,0,0,0,0,0|1,0,2]=4 1225 B15R0.70 C#CCCCNCCCCCCCCCC 2230a_100000684558_100000731252 [1,0,0,0,0,0|1,0,2]=4 1226 B15R0.70 C#CCCCNCCCCCCCCCC 34a_100000684558_100000695029 [1,0,0,0,0,0|1,0,2]=4 1227 B15R0.70 C#CCCCNCCCCCCCCCC 34a_100000718082_100000210320 [1,0,0,0,0,0|1,0,2]=4 1228 B15R0.70 C#CCCCOCCCCCCCCCC 34a_100000210711_100000695029 [1,0,0,0,0,0|1,0,2]=4 1229 B15R0.70 C#CCCCOCCCCCCCCCC 34a_100000215630_100000210320 [1,0,0,0,0,0|1,0,2]=4 1230 B15R0.70 C#CCCCOCCCCCCCCCC 7a_100000210711_100011215417 [1,0,0,0,0,0|1,0,2]=4 1231 B15R0.70 C#CCCCOCCCCCCCCCC 7a_100000215630_100000210320 [1,0,0,0,0,0|1,0,2]=4 1232 B15R0.70 C#CCCNCCCCCCCCCCC 2230a_200011215754_100000688953 [1,0,0,0,0,0|1,0,2]=4 1233 B15R0.70 C#CCCNCCCCCCCCCCC 34a_100000755551_100011215454 [1,0,0,0,0,0|1,0,2]=4 1234 B15R0.70 C#CCCNCCCCCCCCCCC 34a_200011215754_100000688953 [1,0,0,0,0,0|1,0,2]=4 1235 B15R0.70 C#CCCOCCCCCCCCCCC 34a_100000210809_100000688953 [1,0,0,0,0,0|1,0,2]=4 1236 B15R0.70 C#CCCOCCCCCCCCCCC 34a_100011215631_100011215454 [1,0,0,0,0,0|1,0,2]=4 1237 B15R0.70 C#CCCOCCCCCCCCCCC 7a_100000210809_100000688953 [1,0,0,0,0,0|1,0,2]=4 1238 B15R0.70 C#CCNCCCCCCCCCCCC 2230a_100000210451_100000038162 [1,0,0,0,0,0|1,0,2]=4 1239 B15R0.70 C#CCNCCCCCCCCCCCC 34a_100000210451_100000184674 [1,0,0,0,0,0|1,0,2]=4 1240 B15R0.70 C#CCNCCCCCCCCCCCC 34a_100000212058_100000759014 [1,0,0,0,0,0|1,0,2]=4 1241 B15R0.70 C#CCOCCCCCCCCCCCC 34a_100000210247_100000759014 [1,0,0,0,0,0|1,0,2]=4 1242 B15R0.70 C#CCOCCCCCCCCCCCC 34a_100000210810_100000184674 [1,0,0,0,0,0|1,0,2]=4 1243 B15R0.70 C#CCOCCCCCCCCCCCC 7a_100000210810_100000038162 [1,0,0,0,0,0|1,0,2]=4 1244 B15R0.70 C/C=C/CNCCCCCCCCCCC 34a_200011215754_100102629194 [1,0,0,0,0,0|2,0,1]=4 1245 B15R0.70 C=CCCCCCCCCCCCNCC 2230a_100015525214_102130925996 [1,0,0,0,0,0|1,0,1]=3 1246 B15R0.70 C=CCCCCCCCCCCNCCF 34a_100000724931_100011093070 [1,0,0,0,0,0|2,0,1]=4 1247 B15R0.70 C=CCCCCCCCCCCNCCO 2230a_100016997473_100011093070 [1,0,0,0,0,0|2,0,1]=4 1248 B15R0.70 C=CCCCCCCCCCCNCCO 34a_100016990907_100011093070 [1,0,0,0,0,0|2,0,1]=4 1249 B15R0.70 C=CCCCCCCCCCCOCCN 34a_100000210304_100011093070 [1,0,0,0,0,0|2,0,1]=4 1250 B15R0.70 C=CCCCCCCCCCCSCC=O 62a_100011093070_200015260668 [1,0,0,0,0,0|1,0,2]=4 1251 B15R0.70 C=CCCCCCCCCCCSCC=O 62a_200015260668_100011093070 [1,0,0,0,0,0|1,0,2]=4 1252 B15R0.70 C=CCCCCCCCCCCSCCO 62a_100000211926_100011093070 [1,0,0,0,0,0|2,0,1]=4 1253 B15R0.70 C=CCCCCCCCCCCSCCO 62a_100011093070_100000211926 [1,0,0,0,0,0|2,0,1]=4 1254 B15R0.70 C=CCCCCCCCCCNCCCC 2230a_100000081888_100000210211 [1,0,0,0,0,0|1,0,1]=3 1255 B15R0.70 C=CCCCCCCCCCNCCCC 2230a_100000102301_100009814027 [1,0,0,0,0,0|1,0,1]=3 1256 B15R0.70 C=CCCCCCCCCCNCCCC 34a_100000081888_100000210210 [1,0,0,0,0,0|1,0,1]=3 1257 B15R0.70 C=CCCCCCCCCCNCCCC 7a_106832991798_100009814027 [1,0,0,0,0,0|1,0,1]=3 1258 B15R0.70 C=CCCCCCCCCCNCCCF 2230a_100000081888_100011934791 [1,0,0,0,0,0|2,0,1]=4 1259 B15R0.70 C=CCCCCCCCCCNCCCF 2230a_100015189416_100009814027 [1,0,0,0,0,0|2,0,1]=4 1260 B15R0.70 C=CCCCCCCCCCNCCCF 34a_100000081888_100011934791 [1,0,0,0,0,0|2,0,1]=4 1261 B15R0.70 C=CCCCCCCCCCNCCCF 34a_100015189416_100009814027 [1,0,0,0,0,0|2,0,1]=4 1262 B15R0.70 C=CCCCCCCCCCNCCCO 2230a_100000081888_100000230001 [1,0,0,0,0,0|2,0,1]=4 1263 B15R0.70 C=CCCCCCCCCCNCCCO 34a_100000081888_100000230001 [1,0,0,0,0,0|2,0,1]=4 1264 B15R0.70 C=CCCCCCCCCCNCCOC 2230a_100000081888_100011201679 [1,0,0,0,0,0|2,0,1]=4 1265 B15R0.70 C=CCCCCCCCCCNCCOC 2230a_100000209980_100009814027 [1,0,0,0,0,0|2,0,1]=4 1266 B15R0.70 C=CCCCCCCCCCNCCOC 34a_100000081888_100011201679 [1,0,0,0,0,0|2,0,1]=4 1267 B15R0.70 C=CCCCCCCCCCNCCSC 2230a_100000081888_100000751147 [1,0,0,0,0,0|2,0,1]=4 1268 B15R0.70 C=CCCCCCCCCCNCCSC 2230a_100020590264_100009814027 [1,0,0,0,0,0|2,0,1]=4 1269 B15R0.70 C=CCCCCCCCCCNCCSC 34a_100000081888_100000212216 [1,0,0,0,0,0|2,0,1]=4 1270 B15R0.70 C=CCCCCCCCCCOCCCCl 34a_100000230001_100009814027 [1,0,0,0,0,0|2,0,1]=4 1271 B15R0.70 C=CCCCCCCCCCOCCCF 34a_100000038209_100011934791 [1,0,0,0,0,0|2,0,1]=4 1272 B15R0.70 C=CCCCCCCCCCOCCCF 34a_100000759539_100009814027 [1,0,0,0,0,0|2,0,1]=4 1273 B15R0.70 C=CCCCCCCCCCOCCCF 7a_100000038209_100011934791 [1,0,0,0,0,0|2,0,1]=4 1274 B15R0.70 C=CCCCCCCCCCOCCCN 34a_100000182051_100009814027 [1,0,0,0,0,0|2,0,1]=4 1275 B15R0.70 C=CCCCCCCCCCOCCCO 34a_100000038209_100000230001 [1,0,0,0,0,0|2,0,1]=4 1276 B15R0.70 C=CCCCCCCCCCOCCCO 7a_100000038209_100011215043 [1,0,0,0,0,0|2,0,1]=4 1277 B15R0.70 C=CCCCCCCCCCOCCOC 34a_100000038209_100011201679 [1,0,0,0,0,0|2,0,1]=4 1278 B15R0.70 C=CCCCCCCCCCOCCOC 34a_100000210237_100009814027 [1,0,0,0,0,0|2,0,1]=4 1279 B15R0.70 C=CCCCCCCCCCOCCOC 7a_100000038209_100000233755 [1,0,0,0,0,0|2,0,1]=4 1280 B15R0.70 C=CCCCCCCCCCOCCSC 34a_100000038209_100000212216 [1,0,0,0,0,0|2,0,1]=4 1281 B15R0.70 C=CCCCCCCCCCOCCSC 34a_100000230434_100009814027 [1,0,0,0,0,0|2,0,1]=4 1282 B15R0.70 C=CCCCCCCCCCOCCSC 7a_100000038209_100000212216 [1,0,0,0,0,0|2,0,1]=4 1283 B15R0.70 C=CCCCCCCCCCOCCSC 7a_100000230434_100009814027 [1,0,0,0,0,0|2,0,1]=4 1284 B15R0.70 C=CCCCCCCCCCSCCCO 62a_100009814027_100011215043 [1,0,0,0,0,0|2,0,1]=4 1285 B15R0.70 C=CCCCCCCCCCSCCCO 62a_100011215043_100009814027 [1,0,0,0,0,0|2,0,1]=4 1286 B15R0.70 C=CCCCCCCCCCSCCOC 62a_100000233755_100009814027 [1,0,0,0,0,0|2,0,1]=4 1287 B15R0.70 C=CCCCCCCCCCSCCOC 62a_100009814027_100000233755 [1,0,0,0,0,0|2,0,1]=4 1288 B15R0.70 C=CCCCCCCCCNCCCCC 2230a_100000209983_100011933949 [1,0,0,0,0,0|1,0,1]=3 1289 B15R0.70 C=CCCCCCCCCNCCCCO 2230a_100000750430_100011933949 [1,0,0,0,0,0|2,0,1]=4 1290 B15R0.70 C=CCCCCCCCCNCCCCO 34a_100000750430_100011933949 [1,0,0,0,0,0|2,0,1]=4 1291 B15R0.70 C=CCCCCCCCCNCCCOC 34a_100150723488_100011933949 [1,0,0,0,0,0|2,0,1]=4 1292 B15R0.70 C=CCCCCCCCCNCCCSC 2230a_100000749238_100011933949 [1,0,0,0,0,0|2,0,1]=4 1293 B15R0.70 C=CCCCCCCCCNCCOCC 2230a_102516460346_100011933949 [1,0,0,0,0,0|2,0,1]=4 1294 B15R0.70 C=CCCCCCCCCNCCOCC 34a_102516460346_100011933949 [1,0,0,0,0,0|2,0,1]=4 1295 B15R0.70 C=CCCCCCCCCNCCSCC 2230a_100000106463_100011933949 [1,0,0,0,0,0|2,0,1]=4 1296 B15R0.70 C=CCCCCCCCCOCCCC=O 7a_100011215194_200011292268 [1,0,0,0,0,0|1,0,2]=4 1297 B15R0.70 C=CCCCCCCCCOCCCCCl 34a_100000210776_100011933949 [1,0,0,0,0,0|2,0,1]=4 1298 B15R0.70 C=CCCCCCCCCOCCCCCl 7a_100000210776_100011933949 [1,0,0,0,0,0|2,0,1]=4 1299 B15R0.70 C=CCCCCCCCCOCCCCF 34a_100011215194_100000729493 [1,0,0,0,0,0|2,0,1]=4 1300 B15R0.70 C=CCCCCCCCCOCCCCF 34a_100011995726_100011933949 [1,0,0,0,0,0|2,0,1]=4 1301 B15R0.70 C=CCCCCCCCCOCCCCF 7a_100011215194_100000729493 [1,0,0,0,0,0|2,0,1]=4 1302 B15R0.70 C=CCCCCCCCCOCCCCF 7a_100011995726_100011933949 [1,0,0,0,0,0|2,0,1]=4 1303 B15R0.70 C=CCCCCCCCCOCCCCN 34a_100000750430_100011933949 [1,0,0,0,0,0|2,0,1]=4 1304 B15R0.70 C=CCCCCCCCCOCCCCO 34a_100011215194_100011216708 [1,0,0,0,0,0|2,0,1]=4 1305 B15R0.70 C=CCCCCCCCCOCCCCO 7a_100011215194_100000210776 [1,0,0,0,0,0|2,0,1]=4 1306 B15R0.70 C=CCCCCCCCCOCCCNC 34a_100000213112_100011933949 [1,0,0,0,0,0|2,0,1]=4 1307 B15R0.70 C=CCCCCCCCCOCCCOC 34a_100000740835_100011933949 [1,0,0,0,0,0|2,0,1]=4 1308 B15R0.70 C=CCCCCCCCCOCCCOC 34a_100011215194_100000740836 [1,0,0,0,0,0|2,0,1]=4 1309 B15R0.70 C=CCCCCCCCCOCCCOC 7a_100011215194_100000740836 [1,0,0,0,0,0|2,0,1]=4 1310 B15R0.70 C=CCCCCCCCCOCCCSC 34a_100000690336_100011933949 [1,0,0,0,0,0|2,0,1]=4 1311 B15R0.70 C=CCCCCCCCCOCCCSC 7a_100000690336_100011933949 [1,0,0,0,0,0|2,0,1]=4 1312 B15R0.70 C=CCCCCCCCCOCCOCC 34a_100000210136_100011933949 [1,0,0,0,0,0|2,0,1]=4 1313 B15R0.70 C=CCCCCCCCCOCCOCC 34a_100011215194_100000210147 [1,0,0,0,0,0|2,0,1]=4 1314 B15R0.70 C=CCCCCCCCCOCCOCC 7a_100000210136_100011933949 [1,0,0,0,0,0|2,0,1]=4 1315 B15R0.70 C=CCCCCCCCCOCCOCC 7a_100011215194_100011215890 [1,0,0,0,0,0|2,0,1]=4 1316 B15R0.70 C=CCCCCCCCCOCCSCC 34a_100000212035_100011933949 [1,0,0,0,0,0|2,0,1]=4 1317 B15R0.70 C=CCCCCCCCCOCCSCC 34a_100011215194_100000757381 [1,0,0,0,0,0|2,0,1]=4 1318 B15R0.70 C=CCCCCCCCCOCCSCC 7a_100000212035_100011933949 [1,0,0,0,0,0|2,0,1]=4 1319 B15R0.70 C=CCCCCCCCCOCCSCC 7a_100011215194_100000757381 [1,0,0,0,0,0|2,0,1]=4 1320 B15R0.70 C=CCCCCCCCCSCCCC=O 62a_100011933949_200011292268 [1,0,0,0,0,0|1,0,2]=4 1321 B15R0.70 C=CCCCCCCCCSCCCC=O 62a_200011292268_100011933949 [1,0,0,0,0,0|1,0,2]=4 1322 B15R0.70 C=CCCCCCCCCSCCCCO 62a_100000210776_100011933949 [1,0,0,0,0,0|2,0,1]=4 1323 B15R0.70 C=CCCCCCCCCSCCCCO 62a_100011933949_100000210776 [1,0,0,0,0,0|2,0,1]=4 1324 B15R0.70 C=CCCCCCCCCSCCCOC 62a_100000709357_100011933949 [1,0,0,0,0,0|2,0,1]=4 1325 B15R0.70 C=CCCCCCCCCSCCCOC 62a_100011933949_100000709357 [1,0,0,0,0,0|2,0,1]=4 1326 B15R0.70 C=CCCCCCCCCSCCOCC 62a_100000210147_100011933949 [1,0,0,0,0,0|2,0,1]=4 1327 B15R0.70 C=CCCCCCCCCSCCOCC 62a_100011933949_100011215890 [1,0,0,0,0,0|2,0,1]=4 1328 B15R0.70 C=CCCCCCCCNCCCCCC 2230a_100000210581_100012355270 [1,0,0,0,0,0|1,0,1]=3 1329 B15R0.70 C=CCCCCCCCNCCCCCO 2230a_100000762737_100012355270 [1,0,0,0,0,0|2,0,1]=4 1330 B15R0.70 C=CCCCCCCCNCCCCCO 34a_100000762737_100012355270 [1,0,0,0,0,0|2,0,1]=4 1331 B15R0.70 C=CCCCCCCCNCCCOCC 2230a_100000210961_100012355270 [1,0,0,0,0,0|2,0,1]=4 1332 B15R0.70 C=CCCCCCCCNCCCOCC 34a_100000210961_100012355270 [1,0,0,0,0,0|2,0,1]=4 1333 B15R0.70 C=CCCCCCCCNCCOCCC 2230a_100161115042_100012355270 [1,0,0,0,0,0|2,0,1]=4 1334 B15R0.70 C=CCCCCCCCNCCOCCC 34a_100161115042_100012355270 [1,0,0,0,0,0|2,0,1]=4 1335 B15R0.70 C=CCCCCCCCNCCSCCC 2230a_100020603323_100012355270 [1,0,0,0,0,0|2,0,1]=4 1336 B15R0.70 C=CCCCCCCCOCCCCC=O 7a_100000730831_100000139335 [1,0,0,0,0,0|1,0,2]=4 1337 B15R0.70 C=CCCCCCCCOCCCCCCl 34a_100000746330_100012355270 [1,0,0,0,0,0|2,0,1]=4 1338 B15R0.70 C=CCCCCCCCOCCCCCCl 7a_100000746330_100012355270 [1,0,0,0,0,0|2,0,1]=4 1339 B15R0.70 C=CCCCCCCCOCCCCCF 34a_100000730831_100000729378 [1,0,0,0,0,0|2,0,1]=4 1340 B15R0.70 C=CCCCCCCCOCCCCCF 7a_100000730831_100000729378 [1,0,0,0,0,0|2,0,1]=4 1341 B15R0.70 C=CCCCCCCCOCCCCCN 34a_100000762737_100012355270 [1,0,0,0,0,0|2,0,1]=4 1342 B15R0.70 C=CCCCCCCCOCCCCCO 34a_100000730831_100000746330 [1,0,0,0,0,0|2,0,1]=4 1343 B15R0.70 C=CCCCCCCCOCCCCCO 7a_100000730831_100000746330 [1,0,0,0,0,0|2,0,1]=4 1344 B15R0.70 C=CCCCCCCCOCCCCOC 34a_100000730831_100000755781 [1,0,0,0,0,0|2,0,1]=4 1345 B15R0.70 C=CCCCCCCCOCCCCOC 34a_100000740925_100012355270 [1,0,0,0,0,0|2,0,1]=4 1346 B15R0.70 C=CCCCCCCCOCCCCOC 7a_100000730831_100000730899 [1,0,0,0,0,0|2,0,1]=4 1347 B15R0.70 C=CCCCCCCCOCCCCSC 34a_100011217163_100012355270 [1,0,0,0,0,0|2,0,1]=4 1348 B15R0.70 C=CCCCCCCCOCCCCSC 7a_100011217163_100012355270 [1,0,0,0,0,0|2,0,1]=4 1349 B15R0.70 C=CCCCCCCCOCCCOCC 34a_100000730831_100012232248 [1,0,0,0,0,0|2,0,1]=4 1350 B15R0.70 C=CCCCCCCCOCCCOCC 34a_100000757476_100012355270 [1,0,0,0,0,0|2,0,1]=4 1351 B15R0.70 C=CCCCCCCCOCCCOCC 7a_100000730831_100012232248 [1,0,0,0,0,0|2,0,1]=4 1352 B15R0.70 C=CCCCCCCCOCCCOCC 7a_100000757476_100012355270 [1,0,0,0,0,0|2,0,1]=4 1353 B15R0.70 C=CCCCCCCCOCCCSCC 34a_100011216438_100012355270 [1,0,0,0,0,0|2,0,1]=4 1354 B15R0.70 C=CCCCCCCCOCCCSCC 7a_100011216438_100012355270 [1,0,0,0,0,0|2,0,1]=4 1355 B15R0.70 C=CCCCCCCCOCCOCCC 34a_100000730831_100011215938 [1,0,0,0,0,0|2,0,1]=4 1356 B15R0.70 C=CCCCCCCCOCCOCCC 34a_100000752267_100012355270 [1,0,0,0,0,0|2,0,1]=4 1357 B15R0.70 C=CCCCCCCCOCCOCCC 7a_100000730831_100011215938 [1,0,0,0,0,0|2,0,1]=4 1358 B15R0.70 C=CCCCCCCCOCCOCCC 7a_100000752267_100012355270 [1,0,0,0,0,0|2,0,1]=4 1359 B15R0.70 C=CCCCCCCCOCCSCCC 34a_200000230433_100012355270 [1,0,0,0,0,0|2,0,1]=4 1360 B15R0.70 C=CCCCCCCCOCCSCCC 7a_200000230433_100012355270 [1,0,0,0,0,0|2,0,1]=4 1361 B15R0.70 C=CCCCCCCCOCOCCCC 34a_100000730831_100011995733 [1,0,0,0,0,0|2,0,1]=4 1362 B15R0.70 C=CCCCCCCCSCCCCC=O 62a_100000139335_100012355270 [1,0,0,0,0,0|1,0,2]=4 1363 B15R0.70 C=CCCCCCCCSCCCCC=O 62a_100012355270_100000139335 [1,0,0,0,0,0|1,0,2]=4 1364 B15R0.70 C=CCCCCCCCSCCCCCO 62a_100000746330_100012355270 [1,0,0,0,0,0|2,0,1]=4 1365 B15R0.70 C=CCCCCCCCSCCCCCO 62a_100012355270_100000746330 [1,0,0,0,0,0|2,0,1]=4 1366 B15R0.70 C=CCCCCCCCSCCCCOC 62a_100000730899_100012355270 [1,0,0,0,0,0|2,0,1]=4 1367 B15R0.70 C=CCCCCCCCSCCCCOC 62a_100012355270_100000730899 [1,0,0,0,0,0|2,0,1]=4 1368 B15R0.70 C=CCCCCCCCSCCCOCC 62a_100012232248_100012355270 [1,0,0,0,0,0|2,0,1]=4 1369 B15R0.70 C=CCCCCCCCSCCCOCC 62a_100012355270_100012232248 [1,0,0,0,0,0|2,0,1]=4 1370 B15R0.70 C=CCCCCCCCSCCOCCC 62a_100011215938_100012355270 [1,0,0,0,0,0|2,0,1]=4 1371 B15R0.70 C=CCCCCCCCSCCOCCC 62a_100012355270_100011215938 [1,0,0,0,0,0|2,0,1]=4 1372 B15R0.70 C=CCCCCCCNCCCCCCC 2230a_100000229938_100011215473 [1,0,0,0,0,0|1,0,1]=3 1373 B15R0.70 C=CCCCCCCNCCCCCCO 2230a_100000686447_100011215473 [1,0,0,0,0,0|2,0,1]=4 1374 B15R0.70 C=CCCCCCCNCCCCCCO 34a_100000686447_100011215473 [1,0,0,0,0,0|2,0,1]=4 1375 B15R0.70 C=CCCCCCCNCCCCCOC 2230a_100000747528_100011215473 [1,0,0,0,0,0|2,0,1]=4 1376 B15R0.70 C=CCCCCCCNCCCCCOC 34a_100000747528_100011215473 [1,0,0,0,0,0|2,0,1]=4 1377 B15R0.70 C=CCCCCCCNCCCOCCC 2230a_100011217757_100011215473 [1,0,0,0,0,0|2,0,1]=4 1378 B15R0.70 C=CCCCCCCNCCCOCCC 34a_100011217757_100011215473 [1,0,0,0,0,0|2,0,1]=4 1379 B15R0.70 C=CCCCCCCNCCSCCCC 2230a_100025743550_100011215473 [1,0,0,0,0,0|2,0,1]=4 1380 B15R0.70 C=CCCCCCCOCCCCCC=O 7a_200011216477_100000139337 [1,0,0,0,0,0|1,0,2]=4 1381 B15R0.70 C=CCCCCCCOCCCCCCCl 34a_100000766143_100011215473 [1,0,0,0,0,0|2,0,1]=4 1382 B15R0.70 C=CCCCCCCOCCCCCCCl 7a_100000766143_100011215473 [1,0,0,0,0,0|2,0,1]=4 1383 B15R0.70 C=CCCCCCCOCCCCCCF 34a_100000732779_100011215473 [1,0,0,0,0,0|2,0,1]=4 1384 B15R0.70 C=CCCCCCCOCCCCCCF 34a_200011216477_100015922095 [1,0,0,0,0,0|2,0,1]=4 1385 B15R0.70 C=CCCCCCCOCCCCCCF 7a_100000732779_100011215473 [1,0,0,0,0,0|2,0,1]=4 1386 B15R0.70 C=CCCCCCCOCCCCCCF 7a_200011216477_100015922095 [1,0,0,0,0,0|2,0,1]=4 1387 B15R0.70 C=CCCCCCCOCCCCCCN 34a_100000686447_100011215473 [1,0,0,0,0,0|2,0,1]=4 1388 B15R0.70 C=CCCCCCCOCCCCCCO 34a_200011216477_100000766143 [1,0,0,0,0,0|2,0,1]=4 1389 B15R0.70 C=CCCCCCCOCCCCCCO 7a_200011216477_100000766143 [1,0,0,0,0,0|2,0,1]=4 1390 B15R0.70 C=CCCCCCCOCCCCCNC 34a_100000722520_100011215473 [1,0,0,0,0,0|2,0,1]=4 1391 B15R0.70 C=CCCCCCCOCCOCCCC 34a_100000210238_100011215473 [1,0,0,0,0,0|2,0,1]=4 1392 B15R0.70 C=CCCCCCCOCCOCCCC 34a_200011216477_100000743108 [1,0,0,0,0,0|2,0,1]=4 1393 B15R0.70 C=CCCCCCCOCCOCCCC 7a_100000210238_100011215473 [1,0,0,0,0,0|2,0,1]=4 1394 B15R0.70 C=CCCCCCCOCCOCCCC 7a_200011216477_100000743108 [1,0,0,0,0,0|2,0,1]=4 1395 B15R0.70 C=CCCCCCCOCCSCCCC 34a_200000230436_100011215473 [1,0,0,0,0,0|2,0,1]=4 1396 B15R0.70 C=CCCCCCCOCCSCCCC 7a_200000230436_100011215473 [1,0,0,0,0,0|2,0,1]=4 1397 B15R0.70 C=CCCCCCCSCCCCCC=O 62a_100000139337_100011215473 [1,0,0,0,0,0|1,0,2]=4 1398 B15R0.70 C=CCCCCCCSCCCCCC=O 62a_100011215473_100000139337 [1,0,0,0,0,0|1,0,2]=4 1399 B15R0.70 C=CCCCCCCSCCCCCCO 62a_100000766143_100011215473 [1,0,0,0,0,0|2,0,1]=4 1400 B15R0.70 C=CCCCCCCSCCCCCCO 62a_100011215473_100000766143 [1,0,0,0,0,0|2,0,1]=4 1401 B15R0.70 C=CCCCCCCSCCOCCCC 62a_100000743108_100011215473 [1,0,0,0,0,0|2,0,1]=4 1402 B15R0.70 C=CCCCCCCSCCOCCCC 62a_100011215473_100000743108 [1,0,0,0,0,0|2,0,1]=4 1403 B15R0.70 C=CCCCCCNCCCCCCCC 2230a_100000229939_100000700193 [1,0,0,0,0,0|1,0,1]=3 1404 B15R0.70 C=CCCCCCNCCCCCCCC 34a_100000229939_100000700193 [1,0,0,0,0,0|1,0,1]=3 1405 B15R0.70 C=CCCCCCNCCCCCCCO 2230a_100011996573_100000700193 [1,0,0,0,0,0|2,0,1]=4 1406 B15R0.70 C=CCCCCCNCCCCCCCO 34a_100011996573_100000700193 [1,0,0,0,0,0|2,0,1]=4 1407 B15R0.70 C=CCCCCCNCCCOCCCC 2230a_200000211371_100000700193 [1,0,0,0,0,0|2,0,1]=4 1408 B15R0.70 C=CCCCCCNCCCOCCCC 34a_200000211371_100000700193 [1,0,0,0,0,0|2,0,1]=4 1409 B15R0.70 C=CCCCCCOCCCCCCCN 34a_100011996573_100000700193 [1,0,0,0,0,0|2,0,1]=4 1410 B15R0.70 C=CCCCCCOCCCCCCCO 34a_100011216702_100000760002 [1,0,0,0,0,0|2,0,1]=4 1411 B15R0.70 C=CCCCCCOCCCCCCCO 7a_100011216702_100000760002 [1,0,0,0,0,0|2,0,1]=4 1412 B15R0.70 C=CCCCCCOCCCCCCOC 34a_100011216702_100011998445 [1,0,0,0,0,0|2,0,1]=4 1413 B15R0.70 C=CCCCCCOCCCCCCOC 34a_200012092642_100000700193 [1,0,0,0,0,0|2,0,1]=4 1414 B15R0.70 C=CCCCCCOCCCCCCOC 7a_100011216702_100011998445 [1,0,0,0,0,0|2,0,1]=4 1415 B15R0.70 C=CCCCCCOCCCCCCOC 7a_200012092642_100000700193 [1,0,0,0,0,0|2,0,1]=4 1416 B15R0.70 C=CCCCCCOCCCOCCCC 34a_200011215613_100000700193 [1,0,0,0,0,0|2,0,1]=4 1417 B15R0.70 C=CCCCCCOCCCOCCCC 7a_200011215613_100000700193 [1,0,0,0,0,0|2,0,1]=4 1418 B15R0.70 C=CCCCCCOCCNCCCCC 34a_100000224656_100000700193 [1,0,0,0,0,0|2,0,1]=4 1419 B15R0.70 C=CCCCCCOCCOCCCCC 34a_100011215259_100000700193 [1,0,0,0,0,0|2,0,1]=4 1420 B15R0.70 C=CCCCCCOCCOCCCCC 7a_100011215259_100000700193 [1,0,0,0,0,0|2,0,1]=4 1421 B15R0.70 C=CCCCCCSCCCCCCCO 62a_100000700193_100000760002 [1,0,0,0,0,0|2,0,1]=4 1422 B15R0.70 C=CCCCCCSCCCCCCCO 62a_100000760002_100000700193 [1,0,0,0,0,0|2,0,1]=4 1423 B15R0.70 C=CCCCCCSCCCCCCOC 62a_100000700193_100011998445 [1,0,0,0,0,0|2,0,1]=4 1424 B15R0.70 C=CCCCCCSCCCCCCOC 62a_100011998445_100000700193 [1,0,0,0,0,0|2,0,1]=4 1425 B15R0.70 C=CCCCCNCCCCCCCCC 2230a_100000212291_100011215482 [1,0,0,0,0,0|1,0,1]=3 1426 B15R0.70 C=CCCCCNCCCCCCCCC 2230a_100000703577_100011214924 [1,0,0,0,0,0|1,0,1]=3 1427 B15R0.70 C=CCCCCNCCCCCCCCC 34a_100000212291_100011215482 [1,0,0,0,0,0|1,0,1]=3 1428 B15R0.70 C=CCCCCNCCCCCCCCC 34a_100000703577_100011214924 [1,0,0,0,0,0|1,0,1]=3 1429 B15R0.70 C=CCCCCNCCCCCCCCO 2230a_100000703577_100000033203 [1,0,0,0,0,0|2,0,1]=4 1430 B15R0.70 C=CCCCCNCCCCCCCCO 2230a_102515433106_100011215482 [1,0,0,0,0,0|2,0,1]=4 1431 B15R0.70 C=CCCCCNCCCCCCCCO 34a_100000703577_100000033203 [1,0,0,0,0,0|2,0,1]=4 1432 B15R0.70 C=CCCCCNCCCCCCCCO 34a_102515433106_100011215482 [1,0,0,0,0,0|2,0,1]=4 1433 B15R0.70 C=CCCCCOCCCCCCCCCl 34a_100000033203_100011215482 [1,0,0,0,0,0|2,0,1]=4 1434 B15R0.70 C=CCCCCOCCCCCCCCCl 7a_100000033203_100011215482 [1,0,0,0,0,0|2,0,1]=4 1435 B15R0.70 C=CCCCCOCCCCCCCCN 34a_102515433106_100011215482 [1,0,0,0,0,0|2,0,1]=4 1436 B15R0.70 C=CCCCCOCCCCCCCCO 34a_100000766645_100000033203 [1,0,0,0,0,0|2,0,1]=4 1437 B15R0.70 C=CCCCCOCCCCCCCCO 7a_100000766645_100000033203 [1,0,0,0,0,0|2,0,1]=4 1438 B15R0.70 C=CCCCCOCCCCNCCCC 34a_200011216965_100011215482 [1,0,0,0,0,0|2,0,1]=4 1439 B15R0.70 C=CCCCCOCCCCOCCCC 34a_200000760531_100011215482 [1,0,0,0,0,0|2,0,1]=4 1440 B15R0.70 C=CCCCCOCCCCOCCCC 7a_200000760531_100011215482 [1,0,0,0,0,0|2,0,1]=4 1441 B15R0.70 C=CCCCCOCCOCCCCCC 34a_100000691444_100011215482 [1,0,0,0,0,0|2,0,1]=4 1442 B15R0.70 C=CCCCCOCCOCCCCCC 7a_100000691444_100011215482 [1,0,0,0,0,0|2,0,1]=4 1443 B15R0.70 C=CCCCCSCCCCCCCCO 62a_100000033203_100011215482 [1,0,0,0,0,0|2,0,1]=4 1444 B15R0.70 C=CCCCCSCCCCCCCCO 62a_100011215482_100000033203 [1,0,0,0,0,0|2,0,1]=4 1445 B15R0.70 C=CCCCNCCCCCCCCCC 2230a_100000684558_100011713584 [1,0,0,0,0,0|1,0,1]=3 1446 B15R0.70 C=CCCCNCCCCCCCCCC 2230a_100000700776_100000210320 [1,0,0,0,0,0|1,0,1]=3 1447 B15R0.70 C=CCCCNCCCCCCCCCC 34a_100000684558_100000757094 [1,0,0,0,0,0|1,0,1]=3 1448 B15R0.70 C=CCCCNCCCCCCCCCC 34a_100000700776_100000210320 [1,0,0,0,0,0|1,0,1]=3 1449 B15R0.70 C=CCCCNCCCCCCCCCO 2230a_100000078944_100011713584 [1,0,0,0,0,0|2,0,1]=4 1450 B15R0.70 C=CCCCNCCCCCCCCCO 2230a_100000700776_100009813782 [1,0,0,0,0,0|2,0,1]=4 1451 B15R0.70 C=CCCCNCCCCCCCCCO 34a_100000078944_100000757094 [1,0,0,0,0,0|2,0,1]=4 1452 B15R0.70 C=CCCCNCCCCCCCCCO 34a_100000700776_100009813782 [1,0,0,0,0,0|2,0,1]=4 1453 B15R0.70 C=CCCCOCCCCCCCCCCl 34a_100009868337_100000757094 [1,0,0,0,0,0|2,0,1]=4 1454 B15R0.70 C=CCCCOCCCCCCCCCCl 7a_100009868337_100000757094 [1,0,0,0,0,0|2,0,1]=4 1455 B15R0.70 C=CCCCOCCCCCCCCCN 34a_100000078944_100000757094 [1,0,0,0,0,0|2,0,1]=4 1456 B15R0.70 C=CCCCOCCCCCCCCCO 34a_100000758997_100009813782 [1,0,0,0,0,0|2,0,1]=4 1457 B15R0.70 C=CCCCOCCCCCCCCCO 7a_100000758997_100009813782 [1,0,0,0,0,0|2,0,1]=4 1458 B15R0.70 C=CCCCSCCCCCCCCCO 62a_100009813782_100000757094 [1,0,0,0,0,0|2,0,1]=4 1459 B15R0.70 C=CCCCSCCCCCCCCCO 62a_100011713584_100009813782 [1,0,0,0,0,0|2,0,1]=4 1460 B15R0.70 C=CCCNCCCCCCCCCCC 2230a_100015191253_100011215454 [1,0,0,0,0,0|1,0,1]=3 1461 B15R0.70 C=CCCNCCCCCCCCCCC 2230a_200011215754_100000754431 [1,0,0,0,0,0|1,0,1]=3 1462 B15R0.70 C=CCCNCCCCCCCCCCC 34a_200011215754_100000754431 [1,0,0,0,0,0|1,0,1]=3 1463 B15R0.70 C=CCCNCCCCCCCCCCO 2230a_100000066964_100000754431 [1,0,0,0,0,0|2,0,1]=4 1464 B15R0.70 C=CCCNCCCCCCCCCCO 2230a_100015191253_100009813290 [1,0,0,0,0,0|2,0,1]=4 1465 B15R0.70 C=CCCNCCCCCCCCCCO 34a_100000066964_100000754431 [1,0,0,0,0,0|2,0,1]=4 1466 B15R0.70 C=CCCOCCCCCCCCCCCl 34a_200000033068_100000754431 [1,0,0,0,0,0|2,0,1]=4 1467 B15R0.70 C=CCCOCCCCCCCCCCCl 7a_200000033068_100000754431 [1,0,0,0,0,0|2,0,1]=4 1468 B15R0.70 C=CCCOCCCCCCCCCCN 34a_100000066964_100000754431 [1,0,0,0,0,0|2,0,1]=4 1469 B15R0.70 C=CCCOCCCCCCCCCCO 34a_100011205117_100009813290 [1,0,0,0,0,0|2,0,1]=4 1470 B15R0.70 C=CCCSCCCCCCCCCCO 62a_100000754431_200000033068 [1,0,0,0,0,0|2,0,1]=4 1471 B15R0.70 C=CCCSCCCCCCCCCCO 62a_100009813290_100000754431 [1,0,0,0,0,0|2,0,1]=4 1472 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100000210451_100000210623 [1,0,0,0,0,0|1,0,1]=3 1473 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100020586998_100011215052 [1,0,0,0,0,0|1,0,1]=3 1474 B15R0.70 C=CCNCCCCCCCCCCCC 270004a_100020586998_100011218549 [1,0,0,0,0,0|1,0,1]=3 1475 B15R0.70 C=CCNCCCCCCCCCCCC 34a_100000210451_100015514636 [1,0,0,0,0,0|1,0,1]=3 1476 B15R0.70 C=CCNCCCCCCCCCCCO 2230a_100020586998_100009812471 [1,0,0,0,0,0|2,0,1]=4 1477 B15R0.70 C=CCOCCCCCCCCCCCO 34a_200000210373_100009812471 [1,0,0,0,0,0|2,0,1]=4 1478 B15R0.70 C=CCOCCCCCCCCCOCC 34a_100009875440_100015514636 [1,0,0,0,0,0|2,0,1]=4 1479 B15R0.70 C=CCOCCCCCCCCCOCC 7a_100009875440_100015514636 [1,0,0,0,0,0|2,0,1]=4 1480 B15R0.70 C=CCOCCOCCCCCCCCC 34a_100000037705_100011214924 [1,0,0,0,0,0|2,0,1]=4 1481 B15R0.70 C=CCOCCOCCCCCCCCC 7a_100000037705_100000210328 [1,0,0,0,0,0|2,0,1]=4 1482 B15R0.70 C=CCSCCCCCCCCCCCO 62a_100009812471_100000210623 [1,0,0,0,0,0|2,0,1]=4 1483 B15R0.70 C=COCCCCOCCCCCCCC 34a_100000031558_100000210759 [1,0,0,0,0,0|2,0,1]=4 1484 B15R0.70 C=COCCCCOCCCCCCCC 7a_100000031558_100000210759 [1,0,0,0,0,0|2,0,1]=4 1485 B15R0.70 C=COCCCNCCCCCCCCC 2230a_100000210767_100011214924 [1,0,0,0,0,0|2,0,1]=4 1486 B15R0.70 C=COCCCNCCCCCCCCC 34a_100000210767_100011214924 [1,0,0,0,0,0|2,0,1]=4 1487 B15R0.70 C=COCCNCCCCCCCCCC 2230a_100000684558_100000039644 [1,0,0,0,0,0|2,0,1]=4 1488 B15R0.70 C=COCCNCCCCCCCCCC 34a_100000684558_100000039644 [1,0,0,0,0,0|2,0,1]=4 1489 B15R0.70 C=COCCOCCCCCCCCCC 34a_100000033082_100000210320 [1,0,0,0,0,0|2,0,1]=4 1490 B15R0.70 C=COCCOCCCCCCCCCC 34a_100000210711_100000039644 [1,0,0,0,0,0|2,0,1]=4 1491 B15R0.70 C=COCCOCCCCCCCCCC 7a_100000210711_100000039644 [1,0,0,0,0,0|2,0,1]=4 1492 B15R0.70 CC/C=C\CCCCCOCCCCC=O 7a_100016268722_100000139335 [1,0,0,0,0,0|1,0,2]=4 1493 B15R0.70 CC/C=C\CCCCOCCCCCC=O 7a_100016287862_100000139337 [1,0,0,0,0,0|1,0,2]=4 1494 B15R0.70 CC=CCNCCCCCCCCCCC 2230a_200011215754_100000070051 [1,0,0,0,0,0|2,0,1]=4 1495 B15R0.70 CC=CCNCCCCCCCCCCC 34a_200011215754_100000070051 [1,0,0,0,0,0|2,0,1]=4 1496 B15R0.70 CCC#CCCCCCCCCOCC=O 34a_200000031908_200009817547 [1,0,0,0,0,0|1,0,2]=4 1497 B15R0.70 CCC#CCCCCCCCCOCC=O 7a_200000031908_200015260668 [1,0,0,0,0,0|1,0,2]=4 1498 B15R0.70 CCC#CCCCCCCSCCCC=O 62a_200000036426_200011292268 [1,0,0,0,0,0|1,0,2]=4 1499 B15R0.70 CCC#CCCCCCCSCCCC=O 62a_200011292268_200000036426 [1,0,0,0,0,0|1,0,2]=4 1500 B15R0.70 CCCC/C=C/CCCCOCCCC=O 7a_200020645093_200011292268 [1,0,0,0,0,0|1,0,2]=4 1501 B15R0.70 CCCC/C=C\CCOCCCCCC=O 7a_200016286491_100000139337 [1,0,0,0,0,0|1,0,2]=4 1502 B15R0.70 CCCCC#CCCCCCCSCC=O 62a_200000043322_200015260668 [1,0,0,0,0,0|1,0,2]=4 1503 B15R0.70 CCCCC#CCCCCCCSCC=O 62a_200015260668_200000043322 [1,0,0,0,0,0|1,0,2]=4 1504 B15R0.70 CCCCC#CCCCCOCCCC=O 7a_200000066234_200011292268 [1,0,0,0,0,0|1,0,2]=4 1505 B15R0.70 CCCCC#CCCCSCCCCC=O 62a_100000139335_200000047210 [1,0,0,0,0,0|1,0,2]=4 1506 B15R0.70 CCCCC#CCCCSCCCCC=O 62a_200000047210_100000139335 [1,0,0,0,0,0|1,0,2]=4 1507 B15R0.70 CCCCC#CCCOCCCCCC=O 7a_100000037610_100000139337 [1,0,0,0,0,0|1,0,2]=4 1508 B15R0.70 CCCCC/C=C/COCCCCCC=O 7a_100016258190_100000139337 [1,0,0,0,0,0|1,0,2]=4 1509 B15R0.70 CCCCC/C=C\CCCOCCCC=O 7a_100020655193_200011292268 [1,0,0,0,0,0|1,0,2]=4 1510 B15R0.70 CCCCC/C=C\CCOCCCCC=O 7a_100016277358_100000139335 [1,0,0,0,0,0|1,0,2]=4 1511 B15R0.70 CCCCCC#CCCOCCCCC=O 7a_200000042877_100000139335 [1,0,0,0,0,0|1,0,2]=4 1512 B15R0.70 CCCCCC#CCOCCCCCC=O 7a_200000033628_100000139337 [1,0,0,0,0,0|1,0,2]=4 1513 B15R0.70 CCCCCC#CCSCCCCCC=O 62a_100000139337_100009816472 [1,0,0,0,0,0|1,0,2]=4 1514 B15R0.70 CCCCCC#CCSCCCCCC=O 62a_100009816472_100000139337 [1,0,0,0,0,0|1,0,2]=4 1515 B15R0.70 CCCCCC/C=C/COCCCCC=O 7a_200016276170_100000139335 [1,0,0,0,0,0|1,0,2]=4 1516 B15R0.70 CCCCCCC#CCCOCCCC=O 7a_200000033163_200011292268 [1,0,0,0,0,0|1,0,2]=4 1517 B15R0.70 CCCCCCC#CCOCCCCC=O 7a_200000037284_100000139335 [1,0,0,0,0,0|1,0,2]=4 1518 B15R0.70 CCCCCCCC#CCOCCCC=O 7a_200000061759_200011292268 [1,0,0,0,0,0|1,0,2]=4 1519 B15R0.70 CCCCCCCCC/C=C/COCC=O 34a_100015232335_200009817547 [1,0,0,0,0,0|1,0,2]=4 1520 B15R0.70 CCCCCCCCC/C=C/COCC=O 7a_100015232335_200015260668 [1,0,0,0,0,0|1,0,2]=4 1521 B15R0.70 CCCCCCCCCCCCCCNC 2230a_100011217771_200000210301 [1,0,0,0,0,0|1,0,1]=3 1522 B15R0.70 CCCCCCCCCCCCCCNC 2230a_106832991635_100011215471 [1,0,0,0,0,0|1,0,1]=3 1523 B15R0.70 CCCCCCCCCCCCCCNC 270004a_106832991635_200011216147 [1,0,0,0,0,0|1,0,1]=3 1524 B15R0.70 CCCCCCCCCCCCCCNC 34a_100011217771_200000210301 [1,0,0,0,0,0|1,0,1]=3 1525 B15R0.70 CCCCCCCCCCCCCCNC 34a_100102657272_100011215471 [1,0,0,0,0,0|1,0,1]=3 1526 B15R0.70 CCCCCCCCCCCCCCNC 7a_106832991635_100011215471 [1,0,0,0,0,0|1,0,1]=3 1527 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 2230a_100011217771_200025704644 [1,0,0,0,0,0|1,0,1]=3 1528 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 34a_100011217771_200025704644 [1,0,0,0,0,0|1,0,1]=3 1529 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100011215765_100000210202 [1,0,0,0,0,0|1,0,1]=3 1530 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100015525214_100000210684 [1,0,0,0,0,0|1,0,1]=3 1531 B15R0.70 CCCCCCCCCCCCCNCC 270004a_100015525214_200011215488 [1,0,0,0,0,0|1,0,1]=3 1532 B15R0.70 CCCCCCCCCCCCCNCC 34a_100011215765_100000210202 [1,0,0,0,0,0|1,0,1]=3 1533 B15R0.70 CCCCCCCCCCCCCNCF 34a_100011215765_100015361967 [1,0,0,0,0,0|2,0,0]=3 1534 B15R0.70 CCCCCCCCCCCCNCC#N 2230a_100000210451_100011215382 [1,0,0,0,0,0|2,0,1]=4 1535 B15R0.70 CCCCCCCCCCCCNCC=O 2230a_100000210451_200015260668 [1,0,0,0,0,0|1,0,0]=2 1536 B15R0.70 CCCCCCCCCCCCNCC=O 34a_100000210451_200009817547 [1,0,0,0,0,0|1,0,0]=2 1537 B15R0.70 CCCCCCCCCCCCNCCC 2230a_100000210451_100000210303 [1,0,0,0,0,0|1,0,1]=3 1538 B15R0.70 CCCCCCCCCCCCNCCC 270004a_100020643023_100011218549 [1,0,0,0,0,0|1,0,1]=3 1539 B15R0.70 CCCCCCCCCCCCNCCC 34a_100000210451_100000210303 [1,0,0,0,0,0|1,0,1]=3 1540 B15R0.70 CCCCCCCCCCCCNCCF 2230a_100000210451_100011217306 [1,0,0,0,0,0|2,0,0]=3 1541 B15R0.70 CCCCCCCCCCCCNCCF 34a_100000210451_100011217306 [1,0,0,0,0,0|2,0,0]=3 1542 B15R0.70 CCCCCCCCCCCCNCCF 34a_100000724931_100000759014 [1,0,0,0,0,0|2,0,0]=3 1543 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100000210451_100000211926 [1,0,0,0,0,0|1,0,1]=3 1544 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100016997473_100011215052 [1,0,0,0,0,0|1,0,1]=3 1545 B15R0.70 CCCCCCCCCCCCNCCO 270004a_100000210304_100011218549 [1,0,0,0,0,0|1,0,1]=3 1546 B15R0.70 CCCCCCCCCCCCNCCO 34a_100000210451_100000211926 [1,0,0,0,0,0|1,0,1]=3 1547 B15R0.70 CCCCCCCCCCCCNCCO 34a_100016990907_100000759014 [1,0,0,0,0,0|1,0,1]=3 1548 B15R0.70 CCCCCCCCCCCCNCOC 2230a_100000210451_100000766300 [1,0,0,0,0,0|2,0,1]=4 1549 B15R0.70 CCCCCCCCCCCCNCSC 2230a_100000210451_100011218213 [1,0,0,0,0,0|2,0,1]=4 1550 B15R0.70 CCCCCCCCCCCCNCSC 34a_100000210451_100011218213 [1,0,0,0,0,0|2,0,1]=4 1551 B15R0.70 CCCCCCCCCCCCOCC#N 7a_100000210810_100011215382 [1,0,0,0,0,0|2,0,1]=4 1552 B15R0.70 CCCCCCCCCCCCOCC=O 34a_100000210810_200009817547 [1,0,0,0,0,0|1,0,0]=2 1553 B15R0.70 CCCCCCCCCCCCOCC=O 7a_100000210810_200015260668 [1,0,0,0,0,0|1,0,0]=2 1554 B15R0.70 CCCCCCCCCCCCOCCF 34a_100000210810_100011217306 [1,0,0,0,0,0|2,0,0]=3 1555 B15R0.70 CCCCCCCCCCCCOCCF 7a_100000210810_100011217306 [1,0,0,0,0,0|2,0,0]=3 1556 B15R0.70 CCCCCCCCCCCCOCCN 34a_100000210304_100000759014 [1,0,0,0,0,0|2,0,0]=3 1557 B15R0.70 CCCCCCCCCCCCOCCO 34a_100000210810_100000211926 [1,0,0,0,0,0|1,0,1]=3 1558 B15R0.70 CCCCCCCCCCCCOCCO 7a_100000210810_100000211926 [1,0,0,0,0,0|1,0,1]=3 1559 B15R0.70 CCCCCCCCCCCCSCC=O 62a_200015260668_100000759014 [1,0,0,0,0,0|1,0,0]=2 1560 B15R0.70 CCCCCCCCCCCCSCCO 62a_100000211926_100000759014 [1,0,0,0,0,0|1,0,1]=3 1561 B15R0.70 CCCCCCCCCCCNCCC#N 2230a_200011215754_100011215226 [1,0,0,0,0,0|2,0,1]=4 1562 B15R0.70 CCCCCCCCCCCNCCCC 2230a_100000102301_100011215454 [1,0,0,0,0,0|1,0,1]=3 1563 B15R0.70 CCCCCCCCCCCNCCCC 2230a_200011215754_100000210211 [1,0,0,0,0,0|1,0,1]=3 1564 B15R0.70 CCCCCCCCCCCNCCCC 34a_200011215754_100000210210 [1,0,0,0,0,0|1,0,1]=3 1565 B15R0.70 CCCCCCCCCCCNCCCC 7a_106832991798_100011215454 [1,0,0,0,0,0|1,0,1]=3 1566 B15R0.70 CCCCCCCCCCCNCCCF 2230a_100015189416_100011215454 [1,0,0,0,0,0|2,0,0]=3 1567 B15R0.70 CCCCCCCCCCCNCCCF 2230a_200011215754_100011934791 [1,0,0,0,0,0|2,0,0]=3 1568 B15R0.70 CCCCCCCCCCCNCCCF 34a_100015189416_100011215454 [1,0,0,0,0,0|2,0,0]=3 1569 B15R0.70 CCCCCCCCCCCNCCCF 34a_200011215754_100011934791 [1,0,0,0,0,0|2,0,0]=3 1570 B15R0.70 CCCCCCCCCCCNCCCO 2230a_200011215754_100000230001 [1,0,0,0,0,0|1,0,1]=3 1571 B15R0.70 CCCCCCCCCCCNCCCO 34a_200011215754_100000230001 [1,0,0,0,0,0|1,0,1]=3 1572 B15R0.70 CCCCCCCCCCCNCCOC 2230a_100000209980_100011215454 [1,0,0,0,0,0|2,0,1]=4 1573 B15R0.70 CCCCCCCCCCCNCCOC 2230a_200011215754_100011201679 [1,0,0,0,0,0|2,0,1]=4 1574 B15R0.70 CCCCCCCCCCCNCCOC 34a_200011215754_100011201679 [1,0,0,0,0,0|2,0,1]=4 1575 B15R0.70 CCCCCCCCCCCNCCSC 2230a_100020590264_100011215454 [1,0,0,0,0,0|2,0,1]=4 1576 B15R0.70 CCCCCCCCCCCNCCSC 2230a_200011215754_100000751147 [1,0,0,0,0,0|2,0,1]=4 1577 B15R0.70 CCCCCCCCCCCNCCSC 34a_200011215754_100000212216 [1,0,0,0,0,0|2,0,1]=4 1578 B15R0.70 CCCCCCCCCCCOCCC#N 7a_100000210809_100000184422 [1,0,0,0,0,0|2,0,1]=4 1579 B15R0.70 CCCCCCCCCCCOCCCF 34a_100000210809_100011934791 [1,0,0,0,0,0|2,0,0]=3 1580 B15R0.70 CCCCCCCCCCCOCCCF 34a_100000759539_100011215454 [1,0,0,0,0,0|2,0,0]=3 1581 B15R0.70 CCCCCCCCCCCOCCCF 7a_100000210809_100011934791 [1,0,0,0,0,0|2,0,0]=3 1582 B15R0.70 CCCCCCCCCCCOCCCN 34a_100000182051_100011215454 [1,0,0,0,0,0|2,0,0]=3 1583 B15R0.70 CCCCCCCCCCCOCCCO 34a_100000210809_100000230001 [1,0,0,0,0,0|1,0,1]=3 1584 B15R0.70 CCCCCCCCCCCOCCCO 7a_100000210809_100011215043 [1,0,0,0,0,0|1,0,1]=3 1585 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210237_100011215454 [1,0,0,0,0,0|2,0,1]=4 1586 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210809_100011201679 [1,0,0,0,0,0|2,0,1]=4 1587 B15R0.70 CCCCCCCCCCCOCCOC 34a_100010166600_200000210301 [1,0,0,0,0,0|2,0,1]=4 1588 B15R0.70 CCCCCCCCCCCOCCOC 7a_100000210809_100000233755 [1,0,0,0,0,0|2,0,1]=4 1589 B15R0.70 CCCCCCCCCCCOCCOC 7a_100010166600_200000210301 [1,0,0,0,0,0|2,0,1]=4 1590 B15R0.70 CCCCCCCCCCCOCCON 34a_100000700252_100011215454 [1,0,0,0,0,0|3,0,0]=4 1591 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 34a_100010166600_200025704644 [1,0,0,0,0,0|2,0,1]=4 1592 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 7a_100010166600_200025704644 [1,0,0,0,0,0|2,0,1]=4 1593 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000210809_100000212216 [1,0,0,0,0,0|2,0,1]=4 1594 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000230434_100011215454 [1,0,0,0,0,0|2,0,1]=4 1595 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000210809_100000212216 [1,0,0,0,0,0|2,0,1]=4 1596 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000230434_100011215454 [1,0,0,0,0,0|2,0,1]=4 1597 B15R0.70 CCCCCCCCCCCSCCCO 62a_100011215043_100011215454 [1,0,0,0,0,0|1,0,1]=3 1598 B15R0.70 CCCCCCCCCCCSCCOC 62a_100000233755_100011215454 [1,0,0,0,0,0|2,0,1]=4 1599 B15R0.70 CCCCCCCCCCNCCCC#N 2230a_100000684558_100000687738 [1,0,0,0,0,0|2,0,1]=4 1600 B15R0.70 CCCCCCCCCCNCCCC=O 2230a_100000684558_200011292268 [1,0,0,0,0,0|1,0,0]=2 1601 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000209983_100000210320 [1,0,0,0,0,0|1,0,1]=3 1602 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000684558_100000210326 [1,0,0,0,0,0|1,0,1]=3 1603 B15R0.70 CCCCCCCCCCNCCCCC 34a_100000684558_100000718602 [1,0,0,0,0,0|1,0,1]=3 1604 B15R0.70 CCCCCCCCCCNCCCCF 2230a_100000684558_100000729493 [1,0,0,0,0,0|2,0,0]=3 1605 B15R0.70 CCCCCCCCCCNCCCCF 34a_100000684558_100000729493 [1,0,0,0,0,0|2,0,0]=3 1606 B15R0.70 CCCCCCCCCCNCCCCO 2230a_100000684558_100000210776 [1,0,0,0,0,0|1,0,1]=3 1607 B15R0.70 CCCCCCCCCCNCCCCO 2230a_100000750430_100000210320 [1,0,0,0,0,0|1,0,1]=3 1608 B15R0.70 CCCCCCCCCCNCCCCO 34a_100000684558_100011216708 [1,0,0,0,0,0|1,0,1]=3 1609 B15R0.70 CCCCCCCCCCNCCCCO 34a_100000750430_100000210320 [1,0,0,0,0,0|1,0,1]=3 1610 B15R0.70 CCCCCCCCCCNCCCOC 2230a_100000684558_100000740836 [1,0,0,0,0,0|2,0,1]=4 1611 B15R0.70 CCCCCCCCCCNCCCOC 34a_100000684558_100000740836 [1,0,0,0,0,0|2,0,1]=4 1612 B15R0.70 CCCCCCCCCCNCCCOC 34a_100150723488_100000210320 [1,0,0,0,0,0|2,0,1]=4 1613 B15R0.70 CCCCCCCCCCNCCCSC 2230a_100000749238_100000210320 [1,0,0,0,0,0|2,0,1]=4 1614 B15R0.70 CCCCCCCCCCNCCOCC 2230a_100000684558_100011215890 [1,0,0,0,0,0|2,0,1]=4 1615 B15R0.70 CCCCCCCCCCNCCOCC 2230a_102516460346_100000210320 [1,0,0,0,0,0|2,0,1]=4 1616 B15R0.70 CCCCCCCCCCNCCOCC 34a_100000684558_100000210147 [1,0,0,0,0,0|2,0,1]=4 1617 B15R0.70 CCCCCCCCCCNCCOCC 34a_102516460346_100000210320 [1,0,0,0,0,0|2,0,1]=4 1618 B15R0.70 CCCCCCCCCCNCCSCC 2230a_100000106463_100000210320 [1,0,0,0,0,0|2,0,1]=4 1619 B15R0.70 CCCCCCCCCCNCCSCC 2230a_100000684558_100000757381 [1,0,0,0,0,0|2,0,1]=4 1620 B15R0.70 CCCCCCCCCCNCCSCC 34a_100000684558_100000757381 [1,0,0,0,0,0|2,0,1]=4 1621 B15R0.70 CCCCCCCCCCOCCCC#N 7a_100000210711_100000687738 [1,0,0,0,0,0|2,0,1]=4 1622 B15R0.70 CCCCCCCCCCOCCCC=O 7a_100000210711_200011292268 [1,0,0,0,0,0|1,0,0]=2 1623 B15R0.70 CCCCCCCCCCOCCCCF 34a_100000210711_100000729493 [1,0,0,0,0,0|2,0,0]=3 1624 B15R0.70 CCCCCCCCCCOCCCCF 34a_100011995726_100000210320 [1,0,0,0,0,0|2,0,0]=3 1625 B15R0.70 CCCCCCCCCCOCCCCF 7a_100000210711_100000729493 [1,0,0,0,0,0|2,0,0]=3 1626 B15R0.70 CCCCCCCCCCOCCCCF 7a_100011995726_100000210320 [1,0,0,0,0,0|2,0,0]=3 1627 B15R0.70 CCCCCCCCCCOCCCCN 34a_100000750430_100000210320 [1,0,0,0,0,0|2,0,0]=3 1628 B15R0.70 CCCCCCCCCCOCCCCO 34a_100000210711_100011216708 [1,0,0,0,0,0|1,0,1]=3 1629 B15R0.70 CCCCCCCCCCOCCCCO 7a_100000210711_100000210776 [1,0,0,0,0,0|1,0,1]=3 1630 B15R0.70 CCCCCCCCCCOCCCNC 34a_100000213112_100000210320 [1,0,0,0,0,0|2,0,1]=4 1631 B15R0.70 CCCCCCCCCCOCCCOC 34a_100000210711_100000740836 [1,0,0,0,0,0|2,0,1]=4 1632 B15R0.70 CCCCCCCCCCOCCCOC 34a_100000740835_100000210320 [1,0,0,0,0,0|2,0,1]=4 1633 B15R0.70 CCCCCCCCCCOCCCOC 7a_100000210711_100000740836 [1,0,0,0,0,0|2,0,1]=4 1634 B15R0.70 CCCCCCCCCCOCCCSC 34a_100000690336_100000210320 [1,0,0,0,0,0|2,0,1]=4 1635 B15R0.70 CCCCCCCCCCOCCCSC 7a_100000690336_100000210320 [1,0,0,0,0,0|2,0,1]=4 1636 B15R0.70 CCCCCCCCCCOCCOCC 34a_100000210136_100000210320 [1,0,0,0,0,0|2,0,1]=4 1637 B15R0.70 CCCCCCCCCCOCCOCC 34a_100000210711_100000210147 [1,0,0,0,0,0|2,0,1]=4 1638 B15R0.70 CCCCCCCCCCOCCOCC 7a_100000210136_100000210320 [1,0,0,0,0,0|2,0,1]=4 1639 B15R0.70 CCCCCCCCCCOCCOCC 7a_100000210711_100011215890 [1,0,0,0,0,0|2,0,1]=4 1640 B15R0.70 CCCCCCCCCCOCCSCC 34a_100000210711_100000757381 [1,0,0,0,0,0|2,0,1]=4 1641 B15R0.70 CCCCCCCCCCOCCSCC 34a_100000212035_100000210320 [1,0,0,0,0,0|2,0,1]=4 1642 B15R0.70 CCCCCCCCCCOCCSCC 7a_100000210711_100000757381 [1,0,0,0,0,0|2,0,1]=4 1643 B15R0.70 CCCCCCCCCCOCCSCC 7a_100000212035_100000210320 [1,0,0,0,0,0|2,0,1]=4 1644 B15R0.70 CCCCCCCCCCSCCCC=O 62a_200011292268_100000210320 [1,0,0,0,0,0|1,0,0]=2 1645 B15R0.70 CCCCCCCCCCSCCCCO 62a_100000210776_100000210320 [1,0,0,0,0,0|1,0,1]=3 1646 B15R0.70 CCCCCCCCCCSCCCOC 62a_100000709357_100000210320 [1,0,0,0,0,0|2,0,1]=4 1647 B15R0.70 CCCCCCCCCCSCCOCC 34a_100011628728_100000210202 [1,0,0,0,0,0|2,0,1]=4 1648 B15R0.70 CCCCCCCCCCSCCOCC 62a_100000210147_100000210320 [1,0,0,0,0,0|2,0,1]=4 1649 B15R0.70 CCCCCCCCCCSCCOCC 7a_100011628728_100000210202 [1,0,0,0,0,0|2,0,1]=4 1650 B15R0.70 CCCCCCCCCCSCCOCF 34a_100011628728_100015361967 [1,0,0,0,0,0|3,0,0]=4 1651 B15R0.70 CCCCCCCCCCSCCOCF 7a_100011628728_100015361967 [1,0,0,0,0,0|3,0,0]=4 1652 B15R0.70 CCCCCCCCCNCCCCC#N 2230a_100000212291_100000211819 [1,0,0,0,0,0|2,0,1]=4 1653 B15R0.70 CCCCCCCCCNCCCCC=O 2230a_100000212291_100000139335 [1,0,0,0,0,0|1,0,0]=2 1654 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000210581_100011214924 [1,0,0,0,0,0|1,0,1]=3 1655 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000212291_100000210314 [1,0,0,0,0,0|1,0,1]=3 1656 B15R0.70 CCCCCCCCCNCCCCCC 34a_100000212291_100000210314 [1,0,0,0,0,0|1,0,1]=3 1657 B15R0.70 CCCCCCCCCNCCCCCF 2230a_100000212291_100000729378 [1,0,0,0,0,0|2,0,0]=3 1658 B15R0.70 CCCCCCCCCNCCCCCF 34a_100000212291_100000729378 [1,0,0,0,0,0|2,0,0]=3 1659 B15R0.70 CCCCCCCCCNCCCCCO 2230a_100000212291_100000746330 [1,0,0,0,0,0|1,0,1]=3 1660 B15R0.70 CCCCCCCCCNCCCCCO 2230a_100000762737_100011214924 [1,0,0,0,0,0|1,0,1]=3 1661 B15R0.70 CCCCCCCCCNCCCCCO 34a_100000212291_100000746330 [1,0,0,0,0,0|1,0,1]=3 1662 B15R0.70 CCCCCCCCCNCCCCCO 34a_100000762737_100011214924 [1,0,0,0,0,0|1,0,1]=3 1663 B15R0.70 CCCCCCCCCNCCCCOC 2230a_100000212291_100000730899 [1,0,0,0,0,0|2,0,1]=4 1664 B15R0.70 CCCCCCCCCNCCCCOC 34a_100000212291_100000755781 [1,0,0,0,0,0|2,0,1]=4 1665 B15R0.70 CCCCCCCCCNCCCOCC 2230a_100000210961_100011214924 [1,0,0,0,0,0|2,0,1]=4 1666 B15R0.70 CCCCCCCCCNCCCOCC 2230a_100000212291_100012232248 [1,0,0,0,0,0|2,0,1]=4 1667 B15R0.70 CCCCCCCCCNCCCOCC 34a_100000210961_100011214924 [1,0,0,0,0,0|2,0,1]=4 1668 B15R0.70 CCCCCCCCCNCCCOCC 34a_100000212291_100012232248 [1,0,0,0,0,0|2,0,1]=4 1669 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100000212291_100011215938 [1,0,0,0,0,0|2,0,1]=4 1670 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100161115042_100011214924 [1,0,0,0,0,0|2,0,1]=4 1671 B15R0.70 CCCCCCCCCNCCOCCC 34a_100000212291_100011215938 [1,0,0,0,0,0|2,0,1]=4 1672 B15R0.70 CCCCCCCCCNCCOCCC 34a_100161115042_100011214924 [1,0,0,0,0,0|2,0,1]=4 1673 B15R0.70 CCCCCCCCCNCCOCCO 2230a_100000211614_100011214924 [1,0,0,0,0,0|2,0,1]=4 1674 B15R0.70 CCCCCCCCCNCCOCCO 2230a_100000212291_100011215305 [1,0,0,0,0,0|2,0,1]=4 1675 B15R0.70 CCCCCCCCCNCCOCCO 34a_100000211614_100011214924 [1,0,0,0,0,0|2,0,1]=4 1676 B15R0.70 CCCCCCCCCNCCOCCO 34a_100000212291_100000692535 [1,0,0,0,0,0|2,0,1]=4 1677 B15R0.70 CCCCCCCCCNCCSCCC 2230a_100020603323_100011214924 [1,0,0,0,0,0|2,0,1]=4 1678 B15R0.70 CCCCCCCCCNCCSCCO 2230a_100011219999_100011214924 [1,0,0,0,0,0|2,0,1]=4 1679 B15R0.70 CCCCCCCCCNCOCCCC 2230a_100000212291_100011995733 [1,0,0,0,0,0|2,0,1]=4 1680 B15R0.70 CCCCCCCCCNCOCCCC 34a_100000212291_100011995733 [1,0,0,0,0,0|2,0,1]=4 1681 B15R0.70 CCCCCCCCCOCCCCC#N 7a_100000210712_100000211819 [1,0,0,0,0,0|2,0,1]=4 1682 B15R0.70 CCCCCCCCCOCCCCC=O 7a_100000210712_100000139335 [1,0,0,0,0,0|1,0,0]=2 1683 B15R0.70 CCCCCCCCCOCCCCCF 34a_100000210712_100000729378 [1,0,0,0,0,0|2,0,0]=3 1684 B15R0.70 CCCCCCCCCOCCCCCF 7a_100000210712_100000729378 [1,0,0,0,0,0|2,0,0]=3 1685 B15R0.70 CCCCCCCCCOCCCCCN 34a_100000762737_100011214924 [1,0,0,0,0,0|2,0,0]=3 1686 B15R0.70 CCCCCCCCCOCCCCCO 34a_100000210712_100000746330 [1,0,0,0,0,0|1,0,1]=3 1687 B15R0.70 CCCCCCCCCOCCCCCO 7a_100000210712_100000746330 [1,0,0,0,0,0|1,0,1]=3 1688 B15R0.70 CCCCCCCCCOCCCCOC 34a_100000210712_100000755781 [1,0,0,0,0,0|2,0,1]=4 1689 B15R0.70 CCCCCCCCCOCCCCOC 34a_100000740925_100011214924 [1,0,0,0,0,0|2,0,1]=4 1690 B15R0.70 CCCCCCCCCOCCCCOC 7a_100000210712_100000730899 [1,0,0,0,0,0|2,0,1]=4 1691 B15R0.70 CCCCCCCCCOCCCCSC 34a_100011217163_100011214924 [1,0,0,0,0,0|2,0,1]=4 1692 B15R0.70 CCCCCCCCCOCCCCSC 7a_100011217163_100000210328 [1,0,0,0,0,0|2,0,1]=4 1693 B15R0.70 CCCCCCCCCOCCCOCC 34a_100000210712_100012232248 [1,0,0,0,0,0|2,0,1]=4 1694 B15R0.70 CCCCCCCCCOCCCOCC 34a_100000757476_100011214924 [1,0,0,0,0,0|2,0,1]=4 1695 B15R0.70 CCCCCCCCCOCCCOCC 7a_100000210712_100012232248 [1,0,0,0,0,0|2,0,1]=4 1696 B15R0.70 CCCCCCCCCOCCCOCC 7a_100000757476_100000210328 [1,0,0,0,0,0|2,0,1]=4 1697 B15R0.70 CCCCCCCCCOCCCSCC 34a_100011216438_100011214924 [1,0,0,0,0,0|2,0,1]=4 1698 B15R0.70 CCCCCCCCCOCCCSCC 7a_100011216438_100000210328 [1,0,0,0,0,0|2,0,1]=4 1699 B15R0.70 CCCCCCCCCOCCOCCBr 34a_100000692535_100011214924 [1,0,0,0,0,0|3,0,0]=4 1700 B15R0.70 CCCCCCCCCOCCOCCBr 7a_100000692535_100000210328 [1,0,0,0,0,0|3,0,0]=4 1701 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000210712_100011215938 [1,0,0,0,0,0|2,0,1]=4 1702 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000752267_100011214924 [1,0,0,0,0,0|2,0,1]=4 1703 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000210712_100011215938 [1,0,0,0,0,0|2,0,1]=4 1704 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000752267_100000210328 [1,0,0,0,0,0|2,0,1]=4 1705 B15R0.70 CCCCCCCCCOCCOCCCl 34a_100011215305_100011214924 [1,0,0,0,0,0|3,0,0]=4 1706 B15R0.70 CCCCCCCCCOCCOCCCl 7a_100011215305_100000210328 [1,0,0,0,0,0|3,0,0]=4 1707 B15R0.70 CCCCCCCCCOCCOCCF 34a_200015357709_100011214924 [1,0,0,0,0,0|3,0,0]=4 1708 B15R0.70 CCCCCCCCCOCCOCCF 7a_200015357709_100000210328 [1,0,0,0,0,0|3,0,0]=4 1709 B15R0.70 CCCCCCCCCOCCOCCI 34a_100012149058_100011214924 [1,0,0,0,0,0|3,0,0]=4 1710 B15R0.70 CCCCCCCCCOCCOCCI 7a_100012149058_100000210328 [1,0,0,0,0,0|3,0,0]=4 1711 B15R0.70 CCCCCCCCCOCCOCCN 34a_100000211614_100011214924 [1,0,0,0,0,0|3,0,0]=4 1712 B15R0.70 CCCCCCCCCOCCOCCO 34a_100000210712_100000692535 [1,0,0,0,0,0|2,0,1]=4 1713 B15R0.70 CCCCCCCCCOCCOCCO 7a_100000210712_100011215305 [1,0,0,0,0,0|2,0,1]=4 1714 B15R0.70 CCCCCCCCCOCCSCCC 34a_200000230433_100011214924 [1,0,0,0,0,0|2,0,1]=4 1715 B15R0.70 CCCCCCCCCOCCSCCC 7a_200000230433_100000210328 [1,0,0,0,0,0|2,0,1]=4 1716 B15R0.70 CCCCCCCCCOCOCCCC 34a_100000210712_100011995733 [1,0,0,0,0,0|2,0,1]=4 1717 B15R0.70 CCCCCCCCCSCCCCC=O 62a_100000139335_100000210670 [1,0,0,0,0,0|1,0,0]=2 1718 B15R0.70 CCCCCCCCCSCCCCCO 62a_100000746330_100000210670 [1,0,0,0,0,0|1,0,1]=3 1719 B15R0.70 CCCCCCCCCSCCCCOC 62a_100000730899_100000210670 [1,0,0,0,0,0|2,0,1]=4 1720 B15R0.70 CCCCCCCCCSCCCOCC 62a_100012232248_100000210670 [1,0,0,0,0,0|2,0,1]=4 1721 B15R0.70 CCCCCCCCCSCCOCCC 62a_100011215938_100000210670 [1,0,0,0,0,0|2,0,1]=4 1722 B15R0.70 CCCCCCCCCSCCOCCO 62a_100011215305_100000210670 [1,0,0,0,0,0|2,0,1]=4 1723 B15R0.70 CCCCCCCCNCCCCCC#N 2230a_100000229939_100009813376 [1,0,0,0,0,0|2,0,1]=4 1724 B15R0.70 CCCCCCCCNCCCCCC=O 2230a_100000229939_100000139337 [1,0,0,0,0,0|1,0,0]=2 1725 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229938_100000210759 [1,0,0,0,0,0|1,0,1]=3 1726 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229939_100000210681 [1,0,0,0,0,0|1,0,1]=3 1727 B15R0.70 CCCCCCCCNCCCCCCC 34a_100000229939_100000210614 [1,0,0,0,0,0|1,0,1]=3 1728 B15R0.70 CCCCCCCCNCCCCCCF 2230a_100000229939_100015922095 [1,0,0,0,0,0|2,0,0]=3 1729 B15R0.70 CCCCCCCCNCCCCCCF 34a_100000229939_100015922095 [1,0,0,0,0,0|2,0,0]=3 1730 B15R0.70 CCCCCCCCNCCCCCCO 2230a_100000229939_100000766143 [1,0,0,0,0,0|1,0,1]=3 1731 B15R0.70 CCCCCCCCNCCCCCCO 2230a_100000686447_100000210759 [1,0,0,0,0,0|1,0,1]=3 1732 B15R0.70 CCCCCCCCNCCCCCCO 34a_100000229939_100000766143 [1,0,0,0,0,0|1,0,1]=3 1733 B15R0.70 CCCCCCCCNCCCCCCO 34a_100000686447_100000210759 [1,0,0,0,0,0|1,0,1]=3 1734 B15R0.70 CCCCCCCCNCCCCCOC 2230a_100000747528_100000210759 [1,0,0,0,0,0|2,0,1]=4 1735 B15R0.70 CCCCCCCCNCCCCCOC 34a_100000747528_100000210759 [1,0,0,0,0,0|2,0,1]=4 1736 B15R0.70 CCCCCCCCNCCCOCCC 2230a_100011217757_100000210759 [1,0,0,0,0,0|2,0,1]=4 1737 B15R0.70 CCCCCCCCNCCCOCCC 34a_100011217757_100000210759 [1,0,0,0,0,0|2,0,1]=4 1738 B15R0.70 CCCCCCCCNCCOCCCC 2230a_100000229939_100000743108 [1,0,0,0,0,0|2,0,1]=4 1739 B15R0.70 CCCCCCCCNCCOCCCC 34a_100000229939_100000743108 [1,0,0,0,0,0|2,0,1]=4 1740 B15R0.70 CCCCCCCCNCCSCCCC 2230a_100025743550_100000210759 [1,0,0,0,0,0|2,0,1]=4 1741 B15R0.70 CCCCCCCCOCCCCCC#N 7a_100000210232_100009813376 [1,0,0,0,0,0|2,0,1]=4 1742 B15R0.70 CCCCCCCCOCCCCCC=O 7a_100000210232_100000139337 [1,0,0,0,0,0|1,0,0]=2 1743 B15R0.70 CCCCCCCCOCCCCCCF 34a_100000210232_100015922095 [1,0,0,0,0,0|2,0,0]=3 1744 B15R0.70 CCCCCCCCOCCCCCCF 34a_100000732779_100000210759 [1,0,0,0,0,0|2,0,0]=3 1745 B15R0.70 CCCCCCCCOCCCCCCF 7a_100000210232_100015922095 [1,0,0,0,0,0|2,0,0]=3 1746 B15R0.70 CCCCCCCCOCCCCCCF 7a_100000732779_100000210759 [1,0,0,0,0,0|2,0,0]=3 1747 B15R0.70 CCCCCCCCOCCCCCCN 34a_100000686447_100000210759 [1,0,0,0,0,0|2,0,0]=3 1748 B15R0.70 CCCCCCCCOCCCCCCO 34a_100000210232_100000766143 [1,0,0,0,0,0|1,0,1]=3 1749 B15R0.70 CCCCCCCCOCCCCCCO 7a_100000210232_100000766143 [1,0,0,0,0,0|1,0,1]=3 1750 B15R0.70 CCCCCCCCOCCCCCNC 34a_100000722520_100000210759 [1,0,0,0,0,0|2,0,1]=4 1751 B15R0.70 CCCCCCCCOCCOCCCC 34a_100000210232_100000743108 [1,0,0,0,0,0|2,0,1]=4 1752 B15R0.70 CCCCCCCCOCCOCCCC 34a_100000210238_100000210759 [1,0,0,0,0,0|2,0,1]=4 1753 B15R0.70 CCCCCCCCOCCOCCCC 7a_100000210232_100000743108 [1,0,0,0,0,0|2,0,1]=4 1754 B15R0.70 CCCCCCCCOCCOCCCC 7a_100000210238_100000210759 [1,0,0,0,0,0|2,0,1]=4 1755 B15R0.70 CCCCCCCCOCCSCCCC 34a_200000230436_100000210759 [1,0,0,0,0,0|2,0,1]=4 1756 B15R0.70 CCCCCCCCOCCSCCCC 7a_200000230436_100000210759 [1,0,0,0,0,0|2,0,1]=4 1757 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000139337_100000210317 [1,0,0,0,0,0|1,0,0]=2 1758 B15R0.70 CCCCCCCCSCCCCCC=O 62a_100000210759_100000139337 [1,0,0,0,0,0|1,0,0]=2 1759 B15R0.70 CCCCCCCCSCCCCCCO 62a_100000210759_100000766143 [1,0,0,0,0,0|1,0,1]=3 1760 B15R0.70 CCCCCCCCSCCCCCCO 62a_100000766143_100000210317 [1,0,0,0,0,0|1,0,1]=3 1761 B15R0.70 CCCCCCCCSCCOCCCC 62a_100000210759_100000743108 [1,0,0,0,0,0|2,0,1]=4 1762 B15R0.70 CCCCCCCCSCCOCCCC 62a_100000743108_100000210317 [1,0,0,0,0,0|2,0,1]=4 1763 B15R0.70 CCCCCCCNCCCCCCC#N 2230a_100000229938_100009813337 [1,0,0,0,0,0|2,0,1]=4 1764 B15R0.70 CCCCCCCNCCCCCCCO 2230a_100000229938_100000760002 [1,0,0,0,0,0|1,0,1]=3 1765 B15R0.70 CCCCCCCNCCCCCCCO 2230a_100011996573_100000210681 [1,0,0,0,0,0|1,0,1]=3 1766 B15R0.70 CCCCCCCNCCCCCCCO 34a_100011996573_100000210614 [1,0,0,0,0,0|1,0,1]=3 1767 B15R0.70 CCCCCCCNCCCCCCOC 2230a_100000229938_100011998445 [1,0,0,0,0,0|2,0,1]=4 1768 B15R0.70 CCCCCCCNCCCOCCCC 2230a_200000211371_100000210681 [1,0,0,0,0,0|2,0,1]=4 1769 B15R0.70 CCCCCCCNCCCOCCCC 34a_200000211371_100000210614 [1,0,0,0,0,0|2,0,1]=4 1770 B15R0.70 CCCCCCCNCCCOCCCO 2230a_100011310245_100000210681 [1,0,0,0,0,0|2,0,1]=4 1771 B15R0.70 CCCCCCCNCCCOCCCO 34a_100011310245_100000210614 [1,0,0,0,0,0|2,0,1]=4 1772 B15R0.70 CCCCCCCOCCCCCCC#N 7a_100000210272_100009813337 [1,0,0,0,0,0|2,0,1]=4 1773 B15R0.70 CCCCCCCOCCCCCCCN 34a_100011996573_100000210614 [1,0,0,0,0,0|2,0,0]=3 1774 B15R0.70 CCCCCCCOCCCCCCCO 34a_100000210272_100000760002 [1,0,0,0,0,0|1,0,1]=3 1775 B15R0.70 CCCCCCCOCCCCCCCO 7a_100000210272_100000760002 [1,0,0,0,0,0|1,0,1]=3 1776 B15R0.70 CCCCCCCOCCCCCCOC 34a_100000210272_100011998445 [1,0,0,0,0,0|2,0,1]=4 1777 B15R0.70 CCCCCCCOCCCCCCOC 34a_200012092642_100000210614 [1,0,0,0,0,0|2,0,1]=4 1778 B15R0.70 CCCCCCCOCCCCCCOC 7a_100000210272_100011998445 [1,0,0,0,0,0|2,0,1]=4 1779 B15R0.70 CCCCCCCOCCCCCCOC 7a_200012092642_100000210614 [1,0,0,0,0,0|2,0,1]=4 1780 B15R0.70 CCCCCCCOCCCOCCCC 34a_200011215613_100000210614 [1,0,0,0,0,0|2,0,1]=4 1781 B15R0.70 CCCCCCCOCCCOCCCC 7a_200011215613_100000210614 [1,0,0,0,0,0|2,0,1]=4 1782 B15R0.70 CCCCCCCOCCCOCCCN 34a_100011310245_100000210614 [1,0,0,0,0,0|3,0,0]=4 1783 B15R0.70 CCCCCCCOCCNCCCCC 34a_100000224656_100000210614 [1,0,0,0,0,0|2,0,1]=4 1784 B15R0.70 CCCCCCCOCCOCCCCC 34a_100011215259_100000210614 [1,0,0,0,0,0|2,0,1]=4 1785 B15R0.70 CCCCCCCOCCOCCCCC 7a_100011215259_100000210614 [1,0,0,0,0,0|2,0,1]=4 1786 B15R0.70 CCCCCCCSCCCCCCCO 62a_100000210614_100000760002 [1,0,0,0,0,0|1,0,1]=3 1787 B15R0.70 CCCCCCCSCCCCCCCO 62a_100000760002_100000210316 [1,0,0,0,0,0|1,0,1]=3 1788 B15R0.70 CCCCCCCSCCCCCCOC 62a_100000210614_100011998445 [1,0,0,0,0,0|2,0,1]=4 1789 B15R0.70 CCCCCCCSCCCCCCOC 62a_100011998445_100000210316 [1,0,0,0,0,0|2,0,1]=4 1790 B15R0.70 CCCCCCNCCCCCCCCO 2230a_100000210581_100000033203 [1,0,0,0,0,0|1,0,1]=3 1791 B15R0.70 CCCCCCNCCCCCCCCO 2230a_102515433106_100000210314 [1,0,0,0,0,0|1,0,1]=3 1792 B15R0.70 CCCCCCNCCCCCCCCO 34a_102515433106_100000210314 [1,0,0,0,0,0|1,0,1]=3 1793 B15R0.70 CCCCCCOCCCCCCCCN 34a_102515433106_100000210314 [1,0,0,0,0,0|2,0,0]=3 1794 B15R0.70 CCCCCCOCCCCCCCCO 34a_100000210259_100000033203 [1,0,0,0,0,0|1,0,1]=3 1795 B15R0.70 CCCCCCOCCCCCCCCO 7a_100000210259_100000033203 [1,0,0,0,0,0|1,0,1]=3 1796 B15R0.70 CCCCCCOCCCCCNCCN 34a_103619048469_100000210314 [1,0,0,0,0,0|3,0,0]=4 1797 B15R0.70 CCCCCCOCCCCNCCCC 34a_200011216965_100000210314 [1,0,0,0,0,0|2,0,1]=4 1798 B15R0.70 CCCCCCOCCCCOCCCC 34a_200000760531_100000210314 [1,0,0,0,0,0|2,0,1]=4 1799 B15R0.70 CCCCCCOCCCCOCCCC 7a_200000760531_100000210314 [1,0,0,0,0,0|2,0,1]=4 1800 B15R0.70 CCCCCCOCCOCCCCC=O 7a_100000691444_100000139335 [1,0,0,0,0,0|2,0,0]=3 1801 B15R0.70 CCCCCCOCCOCCCCCC 34a_100000691444_100000210314 [1,0,0,0,0,0|2,0,1]=4 1802 B15R0.70 CCCCCCOCCOCCCCCC 7a_100000691444_100000210314 [1,0,0,0,0,0|2,0,1]=4 1803 B15R0.70 CCCCCCOCCOCCCCCF 34a_100000691444_100000729378 [1,0,0,0,0,0|3,0,0]=4 1804 B15R0.70 CCCCCCOCCOCCCCCF 7a_100000691444_100000729378 [1,0,0,0,0,0|3,0,0]=4 1805 B15R0.70 CCCCCCOCCOCCCCCO 34a_100000691444_100000746330 [1,0,0,0,0,0|2,0,1]=4 1806 B15R0.70 CCCCCCOCCOCCCCCO 7a_100000691444_100000746330 [1,0,0,0,0,0|2,0,1]=4 1807 B15R0.70 CCCCCCOCCOCCOCC=O 34a_100000032842_200009817547 [1,0,0,0,0,0|3,0,0]=4 1808 B15R0.70 CCCCCCOCCOCCOCC=O 7a_100000032842_200015260668 [1,0,0,0,0,0|3,0,0]=4 1809 B15R0.70 CCCCCCSCCCCCCCCO 62a_100000033203_100000210757 [1,0,0,0,0,0|1,0,1]=3 1810 B15R0.70 CCCCCCSCCCCCCCCO 62a_100000210314_100000033203 [1,0,0,0,0,0|1,0,1]=3 1811 B15R0.70 CCCCCNCCCCCCCCCO 2230a_100000078944_100000210326 [1,0,0,0,0,0|1,0,1]=3 1812 B15R0.70 CCCCCNCCCCCCCCCO 2230a_100000209983_100009813782 [1,0,0,0,0,0|1,0,1]=3 1813 B15R0.70 CCCCCNCCCCCCCCCO 34a_100000078944_100000718602 [1,0,0,0,0,0|1,0,1]=3 1814 B15R0.70 CCCCCNCCOCCCCCCF 34a_100000224656_100015922095 [1,0,0,0,0,0|3,0,0]=4 1815 B15R0.70 CCCCCNCCOCCCCCCO 34a_100000224656_100000766143 [1,0,0,0,0,0|2,0,1]=4 1816 B15R0.70 CCCCCOCCCCCCCCCN 34a_100000078944_100000718602 [1,0,0,0,0,0|2,0,0]=3 1817 B15R0.70 CCCCCOCCCCCCCCCO 34a_100000210253_100009813782 [1,0,0,0,0,0|1,0,1]=3 1818 B15R0.70 CCCCCOCCCCCCCCCO 7a_100000210253_100009813782 [1,0,0,0,0,0|1,0,1]=3 1819 B15R0.70 CCCCCOCCOCCCCCC=O 7a_100011215259_100000139337 [1,0,0,0,0,0|2,0,0]=3 1820 B15R0.70 CCCCCOCCOCCCCCCF 34a_100011215259_100015922095 [1,0,0,0,0,0|3,0,0]=4 1821 B15R0.70 CCCCCOCCOCCCCCCF 7a_100011215259_100015922095 [1,0,0,0,0,0|3,0,0]=4 1822 B15R0.70 CCCCCOCCOCCCCCCO 34a_100011215259_100000766143 [1,0,0,0,0,0|2,0,1]=4 1823 B15R0.70 CCCCCOCCOCCCCCCO 7a_100011215259_100000766143 [1,0,0,0,0,0|2,0,1]=4 1824 B15R0.70 CCCCCSCCCCCCCCCO 62a_100000210326_100009813782 [1,0,0,0,0,0|1,0,1]=3 1825 B15R0.70 CCCCCSCCCCCCCCCO 62a_100009813782_100000210326 [1,0,0,0,0,0|1,0,1]=3 1826 B15R0.70 CCCCNCCCCCCCCCCO 2230a_100000066964_100000210211 [1,0,0,0,0,0|1,0,1]=3 1827 B15R0.70 CCCCNCCCCCCCCCCO 2230a_100000102301_100009813290 [1,0,0,0,0,0|1,0,1]=3 1828 B15R0.70 CCCCNCCCCCCCCCCO 34a_100000066964_100000210210 [1,0,0,0,0,0|1,0,1]=3 1829 B15R0.70 CCCCNCCCCCCCCCCO 7a_106832991798_100009813290 [1,0,0,0,0,0|1,0,1]=3 1830 B15R0.70 CCCCNCCCCOCCCCCF 34a_200011216965_100000729378 [1,0,0,0,0,0|3,0,0]=4 1831 B15R0.70 CCCCNCCCCOCCCCCO 34a_200011216965_100000746330 [1,0,0,0,0,0|2,0,1]=4 1832 B15R0.70 CCCCOCCCCCCCCCCN 34a_100000066964_100000210210 [1,0,0,0,0,0|2,0,0]=3 1833 B15R0.70 CCCCOCCCCCCCCCCO 34a_100000210227_100009813290 [1,0,0,0,0,0|1,0,1]=3 1834 B15R0.70 CCCCOCCCCCCCCCCO 7a_100000210227_100009813290 [1,0,0,0,0,0|1,0,1]=3 1835 B15R0.70 CCCCOCCCCOCCCCC=O 7a_200000760531_100000139335 [1,0,0,0,0,0|2,0,0]=3 1836 B15R0.70 CCCCOCCCCOCCCCCF 34a_200000760531_100000729378 [1,0,0,0,0,0|3,0,0]=4 1837 B15R0.70 CCCCOCCCCOCCCCCF 7a_200000760531_100000729378 [1,0,0,0,0,0|3,0,0]=4 1838 B15R0.70 CCCCOCCCCOCCCCCO 34a_200000760531_100000746330 [1,0,0,0,0,0|2,0,1]=4 1839 B15R0.70 CCCCOCCCCOCCCCCO 7a_200000760531_100000746330 [1,0,0,0,0,0|2,0,1]=4 1840 B15R0.70 CCCCOCCCNCCCCCC=O 2230a_200000211371_100000139337 [1,0,0,0,0,0|2,0,0]=3 1841 B15R0.70 CCCCOCCCNCCCCCCF 2230a_200000211371_100015922095 [1,0,0,0,0,0|3,0,0]=4 1842 B15R0.70 CCCCOCCCNCCCCCCF 34a_200000211371_100015922095 [1,0,0,0,0,0|3,0,0]=4 1843 B15R0.70 CCCCOCCCNCCCCCCO 2230a_200000211371_100000766143 [1,0,0,0,0,0|2,0,1]=4 1844 B15R0.70 CCCCOCCCNCCCCCCO 34a_200000211371_100000766143 [1,0,0,0,0,0|2,0,1]=4 1845 B15R0.70 CCCCOCCCOCCCCCC=O 7a_200011215613_100000139337 [1,0,0,0,0,0|2,0,0]=3 1846 B15R0.70 CCCCOCCCOCCCCCCF 34a_200011215613_100015922095 [1,0,0,0,0,0|3,0,0]=4 1847 B15R0.70 CCCCOCCCOCCCCCCF 7a_200011215613_100015922095 [1,0,0,0,0,0|3,0,0]=4 1848 B15R0.70 CCCCOCCCOCCCCCCO 34a_200011215613_100000766143 [1,0,0,0,0,0|2,0,1]=4 1849 B15R0.70 CCCCOCCCOCCCCCCO 7a_200011215613_100000766143 [1,0,0,0,0,0|2,0,1]=4 1850 B15R0.70 CCCCOCCNCCCCCCCO 2230a_100011996573_100000743108 [1,0,0,0,0,0|2,0,1]=4 1851 B15R0.70 CCCCOCCNCCCCCCCO 34a_100011996573_100000743108 [1,0,0,0,0,0|2,0,1]=4 1852 B15R0.70 CCCCOCCOCCCCCCCBr 34a_100000760002_100000743108 [1,0,0,0,0,0|3,0,0]=4 1853 B15R0.70 CCCCOCCOCCCCCCCBr 7a_100000760002_100000743108 [1,0,0,0,0,0|3,0,0]=4 1854 B15R0.70 CCCCOCCOCCCCCCCN 34a_100011996573_100000743108 [1,0,0,0,0,0|3,0,0]=4 1855 B15R0.70 CCCCOCCOCCCCCCCO 34a_100000210238_100000760002 [1,0,0,0,0,0|2,0,1]=4 1856 B15R0.70 CCCCOCCOCCCCCCCO 7a_100000210238_100000760002 [1,0,0,0,0,0|2,0,1]=4 1857 B15R0.70 CCCCOCCOCCOCCCC=O 7a_100011215186_200011292268 [1,0,0,0,0,0|3,0,0]=4 1858 B15R0.70 CCCCOCCSCCCCCCCO 62a_100000743108_100000760002 [1,0,0,0,0,0|2,0,1]=4 1859 B15R0.70 CCCCOCCSCCCCCCCO 62a_100000760002_100000743108 [1,0,0,0,0,0|2,0,1]=4 1860 B15R0.70 CCCCOCNCCCCCCCCO 2230a_102515433106_100011995733 [1,0,0,0,0,0|2,0,1]=4 1861 B15R0.70 CCCCOCNCCCCCCCCO 34a_102515433106_100011995733 [1,0,0,0,0,0|2,0,1]=4 1862 B15R0.70 CCCCOCOCCCCCCCCBr 34a_100009813846_100011995733 [1,0,0,0,0,0|3,0,0]=4 1863 B15R0.70 CCCCOCOCCCCCCCCCl 34a_100000033203_100011995733 [1,0,0,0,0,0|3,0,0]=4 1864 B15R0.70 CCCCOCOCCCCCCCCN 34a_102515433106_100011995733 [1,0,0,0,0,0|3,0,0]=4 1865 B15R0.70 CCCCOCSCCCCCCCCO 62a_100000033203_100011995733 [1,0,0,0,0,0|2,0,1]=4 1866 B15R0.70 CCCCOCSCCCCCCCCO 62a_100011995733_100000033203 [1,0,0,0,0,0|2,0,1]=4 1867 B15R0.70 CCCCSCCCCCCCCCCO 62a_100000210211_200000033068 [1,0,0,0,0,0|1,0,1]=3 1868 B15R0.70 CCCCSCCCCCCCCCCO 62a_100009813290_100000210210 [1,0,0,0,0,0|1,0,1]=3 1869 B15R0.70 CCCCSCCNCCCCCCCO 2230a_100025743550_100000760002 [1,0,0,0,0,0|2,0,1]=4 1870 B15R0.70 CCCCSCCOCCCCCCCO 34a_200000230436_100000760002 [1,0,0,0,0,0|2,0,1]=4 1871 B15R0.70 CCCCSCCOCCCCCCCO 7a_200000230436_100000760002 [1,0,0,0,0,0|2,0,1]=4 1872 B15R0.70 CCCOCCCCCCCCCCCO 34a_100000210258_100009812471 [1,0,0,0,0,0|1,0,1]=3 1873 B15R0.70 CCCOCCCCCCCCCOCC 34a_100009875440_100000210303 [1,0,0,0,0,0|2,0,1]=4 1874 B15R0.70 CCCOCCCCCCCCCOCC 7a_100009875440_100000210303 [1,0,0,0,0,0|2,0,1]=4 1875 B15R0.70 CCCOCCCNCCCCCCCO 2230a_100011217757_100000760002 [1,0,0,0,0,0|2,0,1]=4 1876 B15R0.70 CCCOCCCNCCCCCCCO 34a_100011217757_100000760002 [1,0,0,0,0,0|2,0,1]=4 1877 B15R0.70 CCCOCCNCCCCCCCCO 2230a_100161115042_100000033203 [1,0,0,0,0,0|2,0,1]=4 1878 B15R0.70 CCCOCCNCCCCCCCCO 2230a_102515433106_100011215938 [1,0,0,0,0,0|2,0,1]=4 1879 B15R0.70 CCCOCCNCCCCCCCCO 34a_100161115042_100000033203 [1,0,0,0,0,0|2,0,1]=4 1880 B15R0.70 CCCOCCNCCCCCCCCO 34a_102515433106_100011215938 [1,0,0,0,0,0|2,0,1]=4 1881 B15R0.70 CCCOCCOCCCCCCCCBr 34a_100009813846_100011215938 [1,0,0,0,0,0|3,0,0]=4 1882 B15R0.70 CCCOCCOCCCCCCCCBr 7a_100009813846_100011215938 [1,0,0,0,0,0|3,0,0]=4 1883 B15R0.70 CCCOCCOCCCCCCCCCl 34a_100000033203_100011215938 [1,0,0,0,0,0|3,0,0]=4 1884 B15R0.70 CCCOCCOCCCCCCCCCl 7a_100000033203_100011215938 [1,0,0,0,0,0|3,0,0]=4 1885 B15R0.70 CCCOCCOCCCCCCCCN 34a_102515433106_100011215938 [1,0,0,0,0,0|3,0,0]=4 1886 B15R0.70 CCCOCCOCCCCCCCCO 34a_100000752267_100000033203 [1,0,0,0,0,0|2,0,1]=4 1887 B15R0.70 CCCOCCOCCCCCCCCO 7a_100000752267_100000033203 [1,0,0,0,0,0|2,0,1]=4 1888 B15R0.70 CCCOCCOCCNCCCCC=O 2230a_200011904461_100000139335 [1,0,0,0,0,0|3,0,0]=4 1889 B15R0.70 CCCOCCSCCCCCCCCO 62a_100000033203_100011215938 [1,0,0,0,0,0|2,0,1]=4 1890 B15R0.70 CCCOCCSCCCCCCCCO 62a_100011215938_100000033203 [1,0,0,0,0,0|2,0,1]=4 1891 B15R0.70 CCCSCCCCCCCCCCCO 62a_100009812471_100000210303 [1,0,0,0,0,0|1,0,1]=3 1892 B15R0.70 CCCSCCNCCCCCCCCO 2230a_100020603323_100000033203 [1,0,0,0,0,0|2,0,1]=4 1893 B15R0.70 CCCSCCOCCCCCCCCO 34a_200000230433_100000033203 [1,0,0,0,0,0|2,0,1]=4 1894 B15R0.70 CCCSCCOCCCCCCCCO 7a_200000230433_100000033203 [1,0,0,0,0,0|2,0,1]=4 1895 B15R0.70 CCNCCCCCCCCCCCCO 2230a_100000066677_100000210202 [1,0,0,0,0,0|1,0,1]=3 1896 B15R0.70 CCNCCCCCCCCCCCCO 2230a_100015525214_100009813331 [1,0,0,0,0,0|1,0,1]=3 1897 B15R0.70 CCNCCCCCCCCCCCCO 34a_100000066677_100000210202 [1,0,0,0,0,0|1,0,1]=3 1898 B15R0.70 CCNCCCCCCOCCCCCO 2230a_100015525214_200132310570 [1,0,0,0,0,0|2,0,1]=4 1899 B15R0.70 CCOCCCCCCCCCCCCN 34a_100000066677_100000210202 [1,0,0,0,0,0|2,0,0]=3 1900 B15R0.70 CCOCCCCCCCCCCCCO 34a_100121572206_100009813331 [1,0,0,0,0,0|1,0,1]=3 1901 B15R0.70 CCOCCCCCCCCCOCC=O 34a_100009875440_200009817547 [1,0,0,0,0,0|2,0,0]=3 1902 B15R0.70 CCOCCCCCCCCCOCC=O 7a_100009875440_200015260668 [1,0,0,0,0,0|2,0,0]=3 1903 B15R0.70 CCOCCCCCCCCCOCCF 34a_100009875440_100011217306 [1,0,0,0,0,0|3,0,0]=4 1904 B15R0.70 CCOCCCCCCCCCOCCF 7a_100009875440_100011217306 [1,0,0,0,0,0|3,0,0]=4 1905 B15R0.70 CCOCCCCCCCCCOCCO 34a_100009875440_100000211926 [1,0,0,0,0,0|2,0,1]=4 1906 B15R0.70 CCOCCCCCCCCCOCCO 7a_100009875440_100000211926 [1,0,0,0,0,0|2,0,1]=4 1907 B15R0.70 CCOCCCCCCOCCCCCO 34a_100121572206_200132310570 [1,0,0,0,0,0|2,0,1]=4 1908 B15R0.70 CCOCCCCCOCCCCCCCl 34a_200132310570_100000210202 [1,0,0,0,0,0|3,0,0]=4 1909 B15R0.70 CCOCCCCCOCCCCCCCl 7a_200132310570_100000210202 [1,0,0,0,0,0|3,0,0]=4 1910 B15R0.70 CCOCCCNCCCCCCCCO 2230a_100000210961_100000033203 [1,0,0,0,0,0|2,0,1]=4 1911 B15R0.70 CCOCCCNCCCCCCCCO 2230a_102515433106_100012232248 [1,0,0,0,0,0|2,0,1]=4 1912 B15R0.70 CCOCCCNCCCCCCCCO 34a_100000210961_100000033203 [1,0,0,0,0,0|2,0,1]=4 1913 B15R0.70 CCOCCCNCCCCCCCCO 34a_102515433106_100012232248 [1,0,0,0,0,0|2,0,1]=4 1914 B15R0.70 CCOCCCOCCCCCCCCBr 34a_100009813846_100012232248 [1,0,0,0,0,0|3,0,0]=4 1915 B15R0.70 CCOCCCOCCCCCCCCBr 7a_100009813846_100012232248 [1,0,0,0,0,0|3,0,0]=4 1916 B15R0.70 CCOCCCOCCCCCCCCCl 34a_100000033203_100012232248 [1,0,0,0,0,0|3,0,0]=4 1917 B15R0.70 CCOCCCOCCCCCCCCCl 7a_100000033203_100012232248 [1,0,0,0,0,0|3,0,0]=4 1918 B15R0.70 CCOCCCOCCCCCCCCN 34a_102515433106_100012232248 [1,0,0,0,0,0|3,0,0]=4 1919 B15R0.70 CCOCCCOCCCCCCCCO 34a_100000757476_100000033203 [1,0,0,0,0,0|2,0,1]=4 1920 B15R0.70 CCOCCCOCCCCCCCCO 7a_100000757476_100000033203 [1,0,0,0,0,0|2,0,1]=4 1921 B15R0.70 CCOCCCSCCCCCCCCO 62a_100000033203_100012232248 [1,0,0,0,0,0|2,0,1]=4 1922 B15R0.70 CCOCCCSCCCCCCCCO 62a_100012232248_100000033203 [1,0,0,0,0,0|2,0,1]=4 1923 B15R0.70 CCOCCNCCCCCCCCCO 2230a_100000078944_100011215890 [1,0,0,0,0,0|2,0,1]=4 1924 B15R0.70 CCOCCNCCCCCCCCCO 2230a_102516460346_100009813782 [1,0,0,0,0,0|2,0,1]=4 1925 B15R0.70 CCOCCNCCCCCCCCCO 34a_100000078944_100000210147 [1,0,0,0,0,0|2,0,1]=4 1926 B15R0.70 CCOCCNCCCCCCCCCO 34a_102516460346_100009813782 [1,0,0,0,0,0|2,0,1]=4 1927 B15R0.70 CCOCCOCCCCCCCCCBr 34a_100009813782_100000210147 [1,0,0,0,0,0|3,0,0]=4 1928 B15R0.70 CCOCCOCCCCCCCCCBr 7a_100009813782_100011215890 [1,0,0,0,0,0|3,0,0]=4 1929 B15R0.70 CCOCCOCCCCCCCCCCl 34a_100009868337_100000210147 [1,0,0,0,0,0|3,0,0]=4 1930 B15R0.70 CCOCCOCCCCCCCCCCl 7a_100009868337_100011215890 [1,0,0,0,0,0|3,0,0]=4 1931 B15R0.70 CCOCCOCCCCCCCCCN 34a_100000078944_100000210147 [1,0,0,0,0,0|3,0,0]=4 1932 B15R0.70 CCOCCOCCCCCCCCCO 34a_100000210136_100009813782 [1,0,0,0,0,0|2,0,1]=4 1933 B15R0.70 CCOCCOCCCCCCCCCO 7a_100000210136_100009813782 [1,0,0,0,0,0|2,0,1]=4 1934 B15R0.70 CCOCCOCCNCCCCCC=O 2230a_100102712874_100000139337 [1,0,0,0,0,0|3,0,0]=4 1935 B15R0.70 CCOCCOCCOCCCCCC=O 7a_100000210240_100000139337 [1,0,0,0,0,0|3,0,0]=4 1936 B15R0.70 CCOCCOCCSCCCCCC=O 62a_100000139337_100011211534 [1,0,0,0,0,0|3,0,0]=4 1937 B15R0.70 CCOCCOCCSCCCCCC=O 62a_100011211534_100000139337 [1,0,0,0,0,0|3,0,0]=4 1938 B15R0.70 CCOCCSCCCCCCCCCO 62a_100000210147_100009813782 [1,0,0,0,0,0|2,0,1]=4 1939 B15R0.70 CCOCCSCCCCCCCCCO 62a_100009813782_100011215890 [1,0,0,0,0,0|2,0,1]=4 1940 B15R0.70 CCOCSCCCCCCCCCCO 62a_100000739092_200000033068 [1,0,0,0,0,0|2,0,1]=4 1941 B15R0.70 CCOCSCCCCCCCCCCO 62a_100009813290_100000739092 [1,0,0,0,0,0|2,0,1]=4 1942 B15R0.70 CCSCCCCCCCCCCCCO 62a_100009813331_100000210202 [1,0,0,0,0,0|1,0,1]=3 1943 B15R0.70 CCSCCCCCCOCCCCCO 62a_100000210202_200132310570 [1,0,0,0,0,0|2,0,1]=4 1944 B15R0.70 CCSCCCCCCOCCCCCO 62a_200132310570_100000210202 [1,0,0,0,0,0|2,0,1]=4 1945 B15R0.70 CCSCCCOCCCCCCCCO 34a_100011216438_100000033203 [1,0,0,0,0,0|2,0,1]=4 1946 B15R0.70 CCSCCCOCCCCCCCCO 7a_100011216438_100000033203 [1,0,0,0,0,0|2,0,1]=4 1947 B15R0.70 CCSCCNCCCCCCCCCO 2230a_100000078944_100000757381 [1,0,0,0,0,0|2,0,1]=4 1948 B15R0.70 CCSCCNCCCCCCCCCO 2230a_100000106463_100009813782 [1,0,0,0,0,0|2,0,1]=4 1949 B15R0.70 CCSCCNCCCCCCCCCO 34a_100000078944_100000757381 [1,0,0,0,0,0|2,0,1]=4 1950 B15R0.70 CCSCCOCCCCCCCCCBr 34a_100009813782_100000757381 [1,0,0,0,0,0|3,0,0]=4 1951 B15R0.70 CCSCCOCCCCCCCCCBr 7a_100009813782_100000757381 [1,0,0,0,0,0|3,0,0]=4 1952 B15R0.70 CCSCCOCCCCCCCCCCl 34a_100009868337_100000757381 [1,0,0,0,0,0|3,0,0]=4 1953 B15R0.70 CCSCCOCCCCCCCCCCl 7a_100009868337_100000757381 [1,0,0,0,0,0|3,0,0]=4 1954 B15R0.70 CCSCCOCCCCCCCCCN 34a_100000078944_100000757381 [1,0,0,0,0,0|3,0,0]=4 1955 B15R0.70 CCSCCOCCCCCCCCCO 34a_100000212035_100009813782 [1,0,0,0,0,0|2,0,1]=4 1956 B15R0.70 CCSCCOCCCCCCCCCO 7a_100000212035_100009813782 [1,0,0,0,0,0|2,0,1]=4 1957 B15R0.70 CCSCCSCCCCCCCCCO 62a_100000757381_100009813782 [1,0,0,0,0,0|2,0,1]=4 1958 B15R0.70 CCSCCSCCCCCCCCCO 62a_100009813782_100000757381 [1,0,0,0,0,0|2,0,1]=4 1959 B15R0.70 CNCCCCCCCCCCCCCO 2230a_106832991635_100009812470 [1,0,0,0,0,0|1,0,1]=3 1960 B15R0.70 CNCCCCCCCCCCCCCO 34a_100102657272_100009812470 [1,0,0,0,0,0|1,0,1]=3 1961 B15R0.70 CNCCCCCCCCCCCCCO 7a_106832991635_100009812470 [1,0,0,0,0,0|1,0,1]=3 1962 B15R0.70 CNCCCCCOCCCCCCCO 34a_100000722520_100000760002 [1,0,0,0,0,0|2,0,1]=4 1963 B15R0.70 CNCCCOCCCCCCCCCO 34a_100000213112_100009813782 [1,0,0,0,0,0|2,0,1]=4 1964 B15R0.70 COCCCCCCCCCCCCCO 34a_100138415774_100009812470 [1,0,0,0,0,0|1,0,1]=3 1965 B15R0.70 COCCCCCCNCCCCCCO 2230a_100000686447_100011998445 [1,0,0,0,0,0|2,0,1]=4 1966 B15R0.70 COCCCCCCNCCCCCCO 34a_100000686447_100011998445 [1,0,0,0,0,0|2,0,1]=4 1967 B15R0.70 COCCCCCCOCCCCCC=O 7a_200012092642_100000139337 [1,0,0,0,0,0|2,0,0]=3 1968 B15R0.70 COCCCCCCOCCCCCCBr 34a_100011215345_100011998445 [1,0,0,0,0,0|3,0,0]=4 1969 B15R0.70 COCCCCCCOCCCCCCBr 7a_100011215345_100011998445 [1,0,0,0,0,0|3,0,0]=4 1970 B15R0.70 COCCCCCCOCCCCCCCl 34a_100000766143_100011998445 [1,0,0,0,0,0|3,0,0]=4 1971 B15R0.70 COCCCCCCOCCCCCCCl 7a_100000766143_100011998445 [1,0,0,0,0,0|3,0,0]=4 1972 B15R0.70 COCCCCCCOCCCCCCF 34a_100000732779_100011998445 [1,0,0,0,0,0|3,0,0]=4 1973 B15R0.70 COCCCCCCOCCCCCCF 34a_200012092642_100015922095 [1,0,0,0,0,0|3,0,0]=4 1974 B15R0.70 COCCCCCCOCCCCCCF 7a_100000732779_100011998445 [1,0,0,0,0,0|3,0,0]=4 1975 B15R0.70 COCCCCCCOCCCCCCF 7a_200012092642_100015922095 [1,0,0,0,0,0|3,0,0]=4 1976 B15R0.70 COCCCCCCOCCCCCCN 34a_100000686447_100011998445 [1,0,0,0,0,0|3,0,0]=4 1977 B15R0.70 COCCCCCCOCCCCCCO 34a_200012092642_100000766143 [1,0,0,0,0,0|2,0,1]=4 1978 B15R0.70 COCCCCCCOCCCCCCO 7a_200012092642_100000766143 [1,0,0,0,0,0|2,0,1]=4 1979 B15R0.70 COCCCCCCSCCCCCC=O 62a_100000139337_100011998445 [1,0,0,0,0,0|2,0,0]=3 1980 B15R0.70 COCCCCCCSCCCCCC=O 62a_100011998445_100000139337 [1,0,0,0,0,0|2,0,0]=3 1981 B15R0.70 COCCCCCCSCCCCCCF 62a_100011998445_100015922095 [1,0,0,0,0,0|3,0,0]=4 1982 B15R0.70 COCCCCCCSCCCCCCF 62a_100015922095_100011998445 [1,0,0,0,0,0|3,0,0]=4 1983 B15R0.70 COCCCCCCSCCCCCCO 62a_100000766143_100011998445 [1,0,0,0,0,0|2,0,1]=4 1984 B15R0.70 COCCCCCCSCCCCCCO 62a_100011998445_100000766143 [1,0,0,0,0,0|2,0,1]=4 1985 B15R0.70 COCCCCCNCCCCCCCO 2230a_100000747528_100000760002 [1,0,0,0,0,0|2,0,1]=4 1986 B15R0.70 COCCCCCNCCCCCCCO 34a_100000747528_100000760002 [1,0,0,0,0,0|2,0,1]=4 1987 B15R0.70 COCCCCNCCCCCCCCO 2230a_102515433106_100000730899 [1,0,0,0,0,0|2,0,1]=4 1988 B15R0.70 COCCCCNCCCCCCCCO 34a_102515433106_100000755781 [1,0,0,0,0,0|2,0,1]=4 1989 B15R0.70 COCCCCOCCCCCCCCBr 34a_100009813846_100000755781 [1,0,0,0,0,0|3,0,0]=4 1990 B15R0.70 COCCCCOCCCCCCCCBr 7a_100009813846_100000730899 [1,0,0,0,0,0|3,0,0]=4 1991 B15R0.70 COCCCCOCCCCCCCCCl 34a_100000033203_100000755781 [1,0,0,0,0,0|3,0,0]=4 1992 B15R0.70 COCCCCOCCCCCCCCCl 7a_100000033203_100000730899 [1,0,0,0,0,0|3,0,0]=4 1993 B15R0.70 COCCCCOCCCCCCCCN 34a_102515433106_100000755781 [1,0,0,0,0,0|3,0,0]=4 1994 B15R0.70 COCCCCOCCCCCCCCO 34a_100000740925_100000033203 [1,0,0,0,0,0|2,0,1]=4 1995 B15R0.70 COCCCCSCCCCCCCCO 62a_100000033203_100000730899 [1,0,0,0,0,0|2,0,1]=4 1996 B15R0.70 COCCCCSCCCCCCCCO 62a_100000730899_100000033203 [1,0,0,0,0,0|2,0,1]=4 1997 B15R0.70 COCCCNCCCCCCCCCO 2230a_100000078944_100000740836 [1,0,0,0,0,0|2,0,1]=4 1998 B15R0.70 COCCCNCCCCCCCCCO 34a_100000078944_100000740836 [1,0,0,0,0,0|2,0,1]=4 1999 B15R0.70 COCCCNCCCCCCCCCO 34a_100150723488_100009813782 [1,0,0,0,0,0|2,0,1]=4 2000 B15R0.70 COCCCOCCCCCCCCCBr 34a_100009813782_100000740836 [1,0,0,0,0,0|3,0,0]=4 2001 B15R0.70 COCCCOCCCCCCCCCBr 7a_100009813782_100000740836 [1,0,0,0,0,0|3,0,0]=4 2002 B15R0.70 COCCCOCCCCCCCCCCl 34a_100009868337_100000740836 [1,0,0,0,0,0|3,0,0]=4 2003 B15R0.70 COCCCOCCCCCCCCCCl 7a_100009868337_100000740836 [1,0,0,0,0,0|3,0,0]=4 2004 B15R0.70 COCCCOCCCCCCCCCN 34a_100000078944_100000740836 [1,0,0,0,0,0|3,0,0]=4 2005 B15R0.70 COCCCOCCCCCCCCCO 34a_100000740835_100009813782 [1,0,0,0,0,0|2,0,1]=4 2006 B15R0.70 COCCCOCCCOCCCCC=O 7a_200011215475_100000139335 [1,0,0,0,0,0|3,0,0]=4 2007 B15R0.70 COCCCSCCCCCCCCCO 62a_100000709357_100009813782 [1,0,0,0,0,0|2,0,1]=4 2008 B15R0.70 COCCCSCCCCCCCCCO 62a_100009813782_100000709357 [1,0,0,0,0,0|2,0,1]=4 2009 B15R0.70 COCCNCCCCCCCCCCO 2230a_100000066964_100011201679 [1,0,0,0,0,0|2,0,1]=4 2010 B15R0.70 COCCNCCCCCCCCCCO 2230a_100000209980_100009813290 [1,0,0,0,0,0|2,0,1]=4 2011 B15R0.70 COCCNCCCCCCCCCCO 34a_100000066964_100011201679 [1,0,0,0,0,0|2,0,1]=4 2012 B15R0.70 COCCOCCCCCCCCCCBr 34a_100009813290_100011201679 [1,0,0,0,0,0|3,0,0]=4 2013 B15R0.70 COCCOCCCCCCCCCCBr 7a_100009813290_100000233755 [1,0,0,0,0,0|3,0,0]=4 2014 B15R0.70 COCCOCCCCCCCCCCCl 34a_200000033068_100011201679 [1,0,0,0,0,0|3,0,0]=4 2015 B15R0.70 COCCOCCCCCCCCCCCl 7a_200000033068_100000233755 [1,0,0,0,0,0|3,0,0]=4 2016 B15R0.70 COCCOCCCCCCCCCCN 34a_100000066964_100011201679 [1,0,0,0,0,0|3,0,0]=4 2017 B15R0.70 COCCOCCCCCCCCCCO 34a_100000210237_100009813290 [1,0,0,0,0,0|2,0,1]=4 2018 B15R0.70 COCCOCCCNCCCCCC=O 2230a_100000206027_100000139337 [1,0,0,0,0,0|3,0,0]=4 2019 B15R0.70 COCCOCCCSCCCCCC=O 62a_100000139337_100011216529 [1,0,0,0,0,0|3,0,0]=4 2020 B15R0.70 COCCOCCCSCCCCCC=O 62a_100011216529_100000139337 [1,0,0,0,0,0|3,0,0]=4 2021 B15R0.70 COCCSCCCCCCCCCCO 62a_100000233755_200000033068 [1,0,0,0,0,0|2,0,1]=4 2022 B15R0.70 COCCSCCCCCCCCCCO 62a_100009813290_100000233755 [1,0,0,0,0,0|2,0,1]=4 2023 B15R0.70 COCSCCCCCCCCCCCO 62a_100009812471_100000766300 [1,0,0,0,0,0|2,0,1]=4 2024 B15R0.70 CSCCCCCCCCCCCCCO 62a_100009812470_200000210301 [1,0,0,0,0,0|1,0,1]=3 2025 B15R0.70 CSCCCCOCCCCCCCCO 34a_100011217163_100000033203 [1,0,0,0,0,0|2,0,1]=4 2026 B15R0.70 CSCCCCOCCCCCCCCO 7a_100011217163_100000033203 [1,0,0,0,0,0|2,0,1]=4 2027 B15R0.70 CSCCCNCCCCCCCCCO 2230a_100000749238_100009813782 [1,0,0,0,0,0|2,0,1]=4 2028 B15R0.70 CSCCCOCCCCCCCCCO 34a_100000690336_100009813782 [1,0,0,0,0,0|2,0,1]=4 2029 B15R0.70 CSCCCOCCCCCCCCCO 7a_100000690336_100009813782 [1,0,0,0,0,0|2,0,1]=4 2030 B15R0.70 CSCCNCCCCCCCCCCO 2230a_100000066964_100000751147 [1,0,0,0,0,0|2,0,1]=4 2031 B15R0.70 CSCCNCCCCCCCCCCO 2230a_100020590264_100009813290 [1,0,0,0,0,0|2,0,1]=4 2032 B15R0.70 CSCCNCCCCCCCCCCO 34a_100000066964_100000212216 [1,0,0,0,0,0|2,0,1]=4 2033 B15R0.70 CSCCOCCCCCCCCCCBr 34a_100009813290_100000212216 [1,0,0,0,0,0|3,0,0]=4 2034 B15R0.70 CSCCOCCCCCCCCCCBr 7a_100009813290_100000212216 [1,0,0,0,0,0|3,0,0]=4 2035 B15R0.70 CSCCOCCCCCCCCCCCl 34a_200000033068_100000212216 [1,0,0,0,0,0|3,0,0]=4 2036 B15R0.70 CSCCOCCCCCCCCCCCl 7a_200000033068_100000212216 [1,0,0,0,0,0|3,0,0]=4 2037 B15R0.70 CSCCOCCCCCCCCCCN 34a_100000066964_100000212216 [1,0,0,0,0,0|3,0,0]=4 2038 B15R0.70 CSCCOCCCCCCCCCCO 34a_100000230434_100009813290 [1,0,0,0,0,0|2,0,1]=4 2039 B15R0.70 CSCCOCCCCCCCCCCO 7a_100000230434_100009813290 [1,0,0,0,0,0|2,0,1]=4 2040 B15R0.70 CSCCSCCCCCCCCCCO 62a_100000212216_200000033068 [1,0,0,0,0,0|2,0,1]=4 2041 B15R0.70 CSCCSCCCCCCCCCCO 62a_100009813290_100000751147 [1,0,0,0,0,0|2,0,1]=4 2042 B15R0.70 CSCSCCCCCCCCCCCO 62a_100009812471_100011218213 [1,0,0,0,0,0|2,0,1]=4 2043 B15R0.70 FCCCCCCOCCCCCCCBr 34a_100000760002_100015922095 [1,0,0,0,0,0|3,0,0]=4 2044 B15R0.70 FCCCCCCOCCCCCCCBr 7a_100000760002_100015922095 [1,0,0,0,0,0|3,0,0]=4 2045 B15R0.70 FCCCCCOCCCCCCCCBr 34a_100009813846_100000729378 [1,0,0,0,0,0|3,0,0]=4 2046 B15R0.70 FCCCCCOCCCCCCCCBr 7a_100009813846_100000729378 [1,0,0,0,0,0|3,0,0]=4 2047 B15R0.70 FCCCCCOCCCCCCCCCl 34a_100000033203_100000729378 [1,0,0,0,0,0|3,0,0]=4 2048 B15R0.70 FCCCCCOCCCCCCCCCl 7a_100000033203_100000729378 [1,0,0,0,0,0|3,0,0]=4 2049 B15R0.70 FCCCCOCCCCCCCCCBr 34a_100009813782_100000729493 [1,0,0,0,0,0|3,0,0]=4 2050 B15R0.70 FCCCCOCCCCCCCCCBr 7a_100009813782_100000729493 [1,0,0,0,0,0|3,0,0]=4 2051 B15R0.70 FCCCCOCCCCCCCCCCl 34a_100009868337_100000729493 [1,0,0,0,0,0|3,0,0]=4 2052 B15R0.70 FCCCCOCCCCCCCCCCl 7a_100009868337_100000729493 [1,0,0,0,0,0|3,0,0]=4 2053 B15R0.70 FCCCOCCCCCCCCCCBr 34a_100009813290_100011934791 [1,0,0,0,0,0|3,0,0]=4 2054 B15R0.70 FCCCOCCCCCCCCCCBr 7a_100009813290_100011934791 [1,0,0,0,0,0|3,0,0]=4 2055 B15R0.70 FCCCOCCCCCCCCCCCl 34a_200000033068_100011934791 [1,0,0,0,0,0|3,0,0]=4 2056 B15R0.70 FCCCOCCCCCCCCCCCl 7a_200000033068_100011934791 [1,0,0,0,0,0|3,0,0]=4 2057 B15R0.70 FCCOCCCCCCCCCCCBr 34a_100009812471_100011217306 [1,0,0,0,0,0|3,0,0]=4 2058 B15R0.70 FCCOCCCCCCCCCCCBr 7a_100009812471_100011217306 [1,0,0,0,0,0|3,0,0]=4 2059 B15R0.70 N#CCCCCCCSCCCCCC=O 62a_100000139337_100009813337 [1,0,0,0,0,0|2,0,1]=4 2060 B15R0.70 N#CCCCCCCSCCCCCC=O 62a_100009813337_100000139337 [1,0,0,0,0,0|2,0,1]=4 2061 B15R0.70 NCCCCCCCCCCCCOCF 34a_100000066677_100015361967 [1,0,0,0,0,0|3,0,0]=4 2062 B15R0.70 NCCCCCCCCCCOCCCF 34a_100000066964_100011934791 [1,0,0,0,0,0|3,0,0]=4 2063 B15R0.70 NCCCCCCCCCCOCCCO 34a_100000066964_100000230001 [1,0,0,0,0,0|2,0,1]=4 2064 B15R0.70 NCCCCCCCCCOCCCCF 34a_100000078944_100000729493 [1,0,0,0,0,0|3,0,0]=4 2065 B15R0.70 NCCCCCCCCCOCCCCO 34a_100000078944_100011216708 [1,0,0,0,0,0|2,0,1]=4 2066 B15R0.70 NCCCCCCCCOCCCCCF 34a_102515433106_100000729378 [1,0,0,0,0,0|3,0,0]=4 2067 B15R0.70 NCCCCCCCCOCCCCCO 34a_102515433106_100000746330 [1,0,0,0,0,0|2,0,1]=4 2068 B15R0.70 NCCCCCCCOCCCCCCF 34a_100011996573_100015922095 [1,0,0,0,0,0|3,0,0]=4 2069 B15R0.70 NCCCCCCCOCCCCCCO 34a_100011996573_100000766143 [1,0,0,0,0,0|2,0,1]=4 2070 B15R0.70 NCCCCCCOCCCCCCCO 34a_100000686447_100000760002 [1,0,0,0,0,0|2,0,1]=4 2071 B15R0.70 NCCCCCOCCCCCCCCO 34a_100000762737_100000033203 [1,0,0,0,0,0|2,0,1]=4 2072 B15R0.70 NCCCCOCCCCCCCCCO 34a_100000750430_100009813782 [1,0,0,0,0,0|2,0,1]=4 2073 B15R0.70 NCCCOCCCCCCCCCCO 34a_100000182051_100009813290 [1,0,0,0,0,0|2,0,1]=4 2074 B15R0.70 NCCOCCCCCCCCCCCO 34a_100000210304_100009812471 [1,0,0,0,0,0|2,0,1]=4 2075 B15R0.70 O=CCCCCCNCCCCCCCO 2230a_100011996573_100000139337 [1,0,0,0,0,0|2,0,0]=3 2076 B15R0.70 O=CCCCCCNCCCOCCCO 2230a_100011310245_100000139337 [1,0,0,0,0,0|3,0,0]=4 2077 B15R0.70 O=CCCCCCOCCCCCCCBr 7a_100000760002_100000139337 [1,0,0,0,0,0|2,0,0]=3 2078 B15R0.70 O=CCCCCCSCCCCCCCO 62a_100000139337_100000760002 [1,0,0,0,0,0|2,0,0]=3 2079 B15R0.70 O=CCCCCCSCCCCCCCO 62a_100000760002_100000139337 [1,0,0,0,0,0|2,0,0]=3 2080 B15R0.70 O=CCCCCNCCCCCCCCO 2230a_102515433106_100000139335 [1,0,0,0,0,0|2,0,0]=3 2081 B15R0.70 O=CCCCCOCCCCCCCCBr 7a_100009813846_100000139335 [1,0,0,0,0,0|2,0,0]=3 2082 B15R0.70 O=CCCCCOCCCCCCCCCl 7a_100000033203_100000139335 [1,0,0,0,0,0|2,0,0]=3 2083 B15R0.70 O=CCCCCSCCCCCCCCO 62a_100000033203_100000139335 [1,0,0,0,0,0|2,0,0]=3 2084 B15R0.70 O=CCCCCSCCCCCCCCO 62a_100000139335_100000033203 [1,0,0,0,0,0|2,0,0]=3 2085 B15R0.70 O=CCCCNCCCCCCCCCO 2230a_100000078944_200011292268 [1,0,0,0,0,0|2,0,0]=3 2086 B15R0.70 O=CCCCOCCCCCCCCCBr 7a_100009813782_200011292268 [1,0,0,0,0,0|2,0,0]=3 2087 B15R0.70 O=CCCCOCCCCCCCCCCl 7a_100009868337_200011292268 [1,0,0,0,0,0|2,0,0]=3 2088 B15R0.70 O=CCCCSCCCCCCCCCO 62a_100009813782_200011292268 [1,0,0,0,0,0|2,0,0]=3 2089 B15R0.70 O=CCCCSCCCCCCCCCO 62a_200011292268_100009813782 [1,0,0,0,0,0|2,0,0]=3 2090 B15R0.70 O=CCOCCCCCCCCCCCBr 34a_100009812471_200009817547 [1,0,0,0,0,0|2,0,0]=3 2091 B15R0.70 O=CCOCCCCCCCCCCCBr 7a_100009812471_200015260668 [1,0,0,0,0,0|2,0,0]=3 2092 B15R0.70 O=CCSCCCCCCCCCCCO 62a_100009812471_200015260668 [1,0,0,0,0,0|2,0,0]=3 2093 B15R0.70 OCCCCCCCCCCCCNCF 34a_100000066677_100015361967 [1,0,0,0,0,0|2,0,1]=4 2094 B15R0.70 OCCCCCCCCCCCCSCF 62a_100009813331_100015361967 [1,0,0,0,0,0|2,0,1]=4 2095 B15R0.70 OCCCCCCCCCCCNCCF 34a_100000724931_100009812471 [1,0,0,0,0,0|2,0,1]=4 2096 B15R0.70 OCCCCCCCCCCCNCCO 2230a_100016997473_100009812471 [1,0,0,0,0,0|2,0,1]=4 2097 B15R0.70 OCCCCCCCCCCCNCCO 34a_100016990907_100009812471 [1,0,0,0,0,0|2,0,1]=4 2098 B15R0.70 OCCCCCCCCCCCOCCBr 34a_100000211926_100009812471 [1,0,0,0,0,0|2,0,1]=4 2099 B15R0.70 OCCCCCCCCCCCSCCF 62a_100009812471_100011217306 [1,0,0,0,0,0|2,0,1]=4 2100 B15R0.70 OCCCCCCCCCCCSCCO 62a_100009812471_100000211926 [1,0,0,0,0,0|2,0,1]=4 2101 B15R0.70 OCCCCCCCCCCNCCCF 2230a_100000066964_100011934791 [1,0,0,0,0,0|2,0,1]=4 2102 B15R0.70 OCCCCCCCCCCNCCCF 2230a_100015189416_100009813290 [1,0,0,0,0,0|2,0,1]=4 2103 B15R0.70 OCCCCCCCCCCNCCCF 34a_100000066964_100011934791 [1,0,0,0,0,0|2,0,1]=4 2104 B15R0.70 OCCCCCCCCCCNCCCF 34a_100015189416_100009813290 [1,0,0,0,0,0|2,0,1]=4 2105 B15R0.70 OCCCCCCCCCCNCCCO 2230a_100000066964_100000230001 [1,0,0,0,0,0|2,0,1]=4 2106 B15R0.70 OCCCCCCCCCCNCCCO 34a_100000066964_100000230001 [1,0,0,0,0,0|2,0,1]=4 2107 B15R0.70 OCCCCCCCCCCOCCCBr 34a_100011217188_100009813290 [1,0,0,0,0,0|2,0,1]=4 2108 B15R0.70 OCCCCCCCCCCOCCCCl 34a_100000230001_100009813290 [1,0,0,0,0,0|2,0,1]=4 2109 B15R0.70 OCCCCCCCCCCOCCCF 34a_100000759539_100009813290 [1,0,0,0,0,0|2,0,1]=4 2110 B15R0.70 OCCCCCCCCCCSCCCF 62a_100009813290_100011934791 [1,0,0,0,0,0|2,0,1]=4 2111 B15R0.70 OCCCCCCCCCCSCCCF 62a_100011934791_200000033068 [1,0,0,0,0,0|2,0,1]=4 2112 B15R0.70 OCCCCCCCCCCSCCCO 62a_100009813290_100011215043 [1,0,0,0,0,0|2,0,1]=4 2113 B15R0.70 OCCCCCCCCCCSCCCO 62a_100011215043_200000033068 [1,0,0,0,0,0|2,0,1]=4 2114 B15R0.70 OCCCCCCCCCNCCCCF 2230a_100000078944_100000729493 [1,0,0,0,0,0|2,0,1]=4 2115 B15R0.70 OCCCCCCCCCNCCCCF 34a_100000078944_100000729493 [1,0,0,0,0,0|2,0,1]=4 2116 B15R0.70 OCCCCCCCCCNCCCCO 2230a_100000078944_100000210776 [1,0,0,0,0,0|2,0,1]=4 2117 B15R0.70 OCCCCCCCCCNCCCCO 2230a_100000750430_100009813782 [1,0,0,0,0,0|2,0,1]=4 2118 B15R0.70 OCCCCCCCCCNCCCCO 34a_100000078944_100011216708 [1,0,0,0,0,0|2,0,1]=4 2119 B15R0.70 OCCCCCCCCCNCCCCO 34a_100000750430_100009813782 [1,0,0,0,0,0|2,0,1]=4 2120 B15R0.70 OCCCCCCCCCOCCCCBr 34a_100011216708_100009813782 [1,0,0,0,0,0|2,0,1]=4 2121 B15R0.70 OCCCCCCCCCOCCCCCl 34a_100000210776_100009813782 [1,0,0,0,0,0|2,0,1]=4 2122 B15R0.70 OCCCCCCCCCOCCCCCl 7a_100000210776_100009813782 [1,0,0,0,0,0|2,0,1]=4 2123 B15R0.70 OCCCCCCCCCOCCCCF 34a_100011995726_100009813782 [1,0,0,0,0,0|2,0,1]=4 2124 B15R0.70 OCCCCCCCCCOCCCCF 7a_100011995726_100009813782 [1,0,0,0,0,0|2,0,1]=4 2125 B15R0.70 OCCCCCCCCCOCCCCI 34a_200012148704_100009813782 [1,0,0,0,0,0|2,0,1]=4 2126 B15R0.70 OCCCCCCCCCSCCCCF 62a_100000729493_100009813782 [1,0,0,0,0,0|2,0,1]=4 2127 B15R0.70 OCCCCCCCCCSCCCCF 62a_100009813782_100000729493 [1,0,0,0,0,0|2,0,1]=4 2128 B15R0.70 OCCCCCCCCCSCCCCO 62a_100000210776_100009813782 [1,0,0,0,0,0|2,0,1]=4 2129 B15R0.70 OCCCCCCCCCSCCCCO 62a_100009813782_100000210776 [1,0,0,0,0,0|2,0,1]=4 2130 B15R0.70 OCCCCCCCCNCCCCCF 2230a_102515433106_100000729378 [1,0,0,0,0,0|2,0,1]=4 2131 B15R0.70 OCCCCCCCCNCCCCCF 34a_102515433106_100000729378 [1,0,0,0,0,0|2,0,1]=4 2132 B15R0.70 OCCCCCCCCNCCCCCO 2230a_100000762737_100000033203 [1,0,0,0,0,0|2,0,1]=4 2133 B15R0.70 OCCCCCCCCNCCCCCO 2230a_102515433106_100000746330 [1,0,0,0,0,0|2,0,1]=4 2134 B15R0.70 OCCCCCCCCNCCCCCO 34a_100000762737_100000033203 [1,0,0,0,0,0|2,0,1]=4 2135 B15R0.70 OCCCCCCCCNCCCCCO 34a_102515433106_100000746330 [1,0,0,0,0,0|2,0,1]=4 2136 B15R0.70 OCCCCCCCCOCCCCCBr 34a_100000746331_100000033203 [1,0,0,0,0,0|2,0,1]=4 2137 B15R0.70 OCCCCCCCCOCCCCCBr 7a_100000746331_100000033203 [1,0,0,0,0,0|2,0,1]=4 2138 B15R0.70 OCCCCCCCCOCCCCCCl 34a_100000746330_100000033203 [1,0,0,0,0,0|2,0,1]=4 2139 B15R0.70 OCCCCCCCCOCCCCCCl 7a_100000746330_100000033203 [1,0,0,0,0,0|2,0,1]=4 2140 B15R0.70 OCCCCCCCCOCCCCCI 34a_200012148887_100000033203 [1,0,0,0,0,0|2,0,1]=4 2141 B15R0.70 OCCCCCCCCOCCCCCI 7a_200012148887_100000033203 [1,0,0,0,0,0|2,0,1]=4 2142 B15R0.70 OCCCCCCCCSCCCCCF 62a_100000033203_100000729378 [1,0,0,0,0,0|2,0,1]=4 2143 B15R0.70 OCCCCCCCCSCCCCCF 62a_100000729378_100000033203 [1,0,0,0,0,0|2,0,1]=4 2144 B15R0.70 OCCCCCCCCSCCCCCO 62a_100000033203_100000746330 [1,0,0,0,0,0|2,0,1]=4 2145 B15R0.70 OCCCCCCCCSCCCCCO 62a_100000746330_100000033203 [1,0,0,0,0,0|2,0,1]=4 2146 B15R0.70 OCCCCCCCNCCCCCCF 2230a_100011996573_100015922095 [1,0,0,0,0,0|2,0,1]=4 2147 B15R0.70 OCCCCCCCNCCCCCCF 34a_100011996573_100015922095 [1,0,0,0,0,0|2,0,1]=4 2148 B15R0.70 OCCCCCCCNCCCCCCO 2230a_100000686447_100000760002 [1,0,0,0,0,0|2,0,1]=4 2149 B15R0.70 OCCCCCCCNCCCCCCO 2230a_100011996573_100000766143 [1,0,0,0,0,0|2,0,1]=4 2150 B15R0.70 OCCCCCCCNCCCCCCO 34a_100000686447_100000760002 [1,0,0,0,0,0|2,0,1]=4 2151 B15R0.70 OCCCCCCCNCCCCCCO 34a_100011996573_100000766143 [1,0,0,0,0,0|2,0,1]=4 2152 B15R0.70 OCCCCCCCOCCCCCCBr 34a_100011215345_100000760002 [1,0,0,0,0,0|2,0,1]=4 2153 B15R0.70 OCCCCCCCOCCCCCCBr 7a_100011215345_100000760002 [1,0,0,0,0,0|2,0,1]=4 2154 B15R0.70 OCCCCCCCOCCCCCCCl 34a_100000766143_100000760002 [1,0,0,0,0,0|2,0,1]=4 2155 B15R0.70 OCCCCCCCOCCCCCCCl 7a_100000766143_100000760002 [1,0,0,0,0,0|2,0,1]=4 2156 B15R0.70 OCCCCCCCOCCCCCCF 34a_100000732779_100000760002 [1,0,0,0,0,0|2,0,1]=4 2157 B15R0.70 OCCCCCCCOCCCCCCF 7a_100000732779_100000760002 [1,0,0,0,0,0|2,0,1]=4 2158 B15R0.70 OCCCCCCCSCCCCCCF 62a_100000760002_100015922095 [1,0,0,0,0,0|2,0,1]=4 2159 B15R0.70 OCCCCCCCSCCCCCCF 62a_100015922095_100000760002 [1,0,0,0,0,0|2,0,1]=4 2160 B15R0.70 OCCCCCCCSCCCCCCO 62a_100000760002_100000766143 [1,0,0,0,0,0|2,0,1]=4 2161 B15R0.70 OCCCCCCCSCCCCCCO 62a_100000766143_100000760002 [1,0,0,0,0,0|2,0,1]=4 2162 B15R0.70 OCCCCCCOCCCCCCCBr 34a_100000760002_100000766143 [1,0,0,0,0,0|2,0,1]=4 2163 B15R0.70 OCCCCCCOCCCCCCCBr 7a_100000760002_100000766143 [1,0,0,0,0,0|2,0,1]=4 2164 B15R0.70 OCCCCCOCCCCCCCCBr 34a_100009813846_100000746330 [1,0,0,0,0,0|2,0,1]=4 2165 B15R0.70 OCCCCCOCCCCCCCCBr 7a_100009813846_100000746330 [1,0,0,0,0,0|2,0,1]=4 2166 B15R0.70 OCCCCCOCCCCCCCCCl 34a_100000033203_100000746330 [1,0,0,0,0,0|2,0,1]=4 2167 B15R0.70 OCCCCCOCCCCCCCCCl 7a_100000033203_100000746330 [1,0,0,0,0,0|2,0,1]=4 2168 B15R0.70 OCCCCOCCCCCCCCCBr 34a_100009813782_100011216708 [1,0,0,0,0,0|2,0,1]=4 2169 B15R0.70 OCCCCOCCCCCCCCCBr 7a_100009813782_100000210776 [1,0,0,0,0,0|2,0,1]=4 2170 B15R0.70 OCCCCOCCCCCCCCCCl 34a_100009868337_100011216708 [1,0,0,0,0,0|2,0,1]=4 2171 B15R0.70 OCCCCOCCCCCCCCCCl 7a_100009868337_100000210776 [1,0,0,0,0,0|2,0,1]=4 2172 B15R0.70 OCCCOCCCCCCCCCCBr 34a_100009813290_100000230001 [1,0,0,0,0,0|2,0,1]=4 2173 B15R0.70 OCCCOCCCCCCCCCCBr 7a_100009813290_100011215043 [1,0,0,0,0,0|2,0,1]=4 2174 B15R0.70 OCCCOCCCCCCCCCCCl 34a_200000033068_100000230001 [1,0,0,0,0,0|2,0,1]=4 2175 B15R0.70 OCCCOCCCCCCCCCCCl 7a_200000033068_100011215043 [1,0,0,0,0,0|2,0,1]=4 2176 B15R0.70 OCCOCCCCCCCCCCCBr 34a_100009812471_100000211926 [1,0,0,0,0,0|2,0,1]=4 2177 B15R0.70 OCCOCCCCCCCCCCCBr 7a_100009812471_100000211926 [1,0,0,0,0,0|2,0,1]=4 2178 B15R0.70 [13CH3]SCCCCCCCCCCCCCO 62a_100009812470_200025704644 [1,0,0,0,0,0|1,0,1]=3 2179 B17R0.43 C#CCCCCCCCCCCOCCC(=O)C 7a_100000054667_100000053229 [0,1,0,0,0,0|1,0,2]=4 2180 B17R0.43 C#CCCCCCCCCCCOCCC(=O)N 34a_100000054667_100000731001 [0,1,0,0,0,0|1,0,2]=4 2181 B17R0.43 C#CCCCCCCCCCCOCCC(=O)N 7a_100000054667_100000744528 [0,1,0,0,0,0|1,0,2]=4 2182 B17R0.43 C#CCCCCCCCCCCOCCC(C)O 34a_100000054667_100012276601 [0,1,0,0,0,0|2,0,1]=4 2183 B17R0.43 C#CCCCCCCCCCCOCCC(C)O 7a_100000054667_100012276601 [0,1,0,0,0,0|2,0,1]=4 2184 B17R0.43 C#CCCCCCCCCCOCCCC(=O)C 34a_100000034437_100000685027 [0,1,0,0,0,0|1,0,2]=4 2185 B17R0.43 C#CCCCCCCCCCOCCCC(=O)C 7a_100000034437_100011215641 [0,1,0,0,0,0|1,0,2]=4 2186 B17R0.43 C#CCCCCCCCCCOCCCC(=O)N 34a_100000034437_100102525003 [0,1,0,0,0,0|1,0,2]=4 2187 B17R0.43 C#CCCCCCCCCCOCCCC(=O)N 7a_100000034437_100102525003 [0,1,0,0,0,0|1,0,2]=4 2188 B17R0.43 C#CCCCCCCCCCOCCCC(C)O 34a_100000034437_200000718107 [0,1,0,0,0,0|2,0,1]=4 2189 B17R0.43 C#CCCCCCCCCCOCCCC(C)O 7a_100000034437_200000718107 [0,1,0,0,0,0|2,0,1]=4 2190 B17R0.43 C#CCCCCCCCCOCCCCC(=O)C 34a_100000065265_100009817362 [0,1,0,0,0,0|1,0,2]=4 2191 B17R0.43 C#CCCCCCCCCOCCCCC(=O)C 7a_100000065265_100000735457 [0,1,0,0,0,0|1,0,2]=4 2192 B17R0.43 C#CCCCCCCCNCCCCCC(C)C 2230a_100011290863_100153394163 [0,1,0,0,0,0|2,0,1]=4 2193 B17R0.43 C#CCCCCCCCNCCCCCC(C)C 34a_100011290863_100153394163 [0,1,0,0,0,0|2,0,1]=4 2194 B17R0.43 C#CCCCCCCCOCCCCCC(=O)N 34a_100000054614_100009817443 [0,1,0,0,0,0|1,0,2]=4 2195 B17R0.43 C#CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100153394163 [0,1,0,0,0,0|1,0,2]=4 2196 B17R0.43 C#CCCCCCCCOCCCCCC(=O)N 7a_100000054614_100009817443 [0,1,0,0,0,0|1,0,2]=4 2197 B17R0.43 C#CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100153394163 [0,1,0,0,0,0|1,0,2]=4 2198 B17R0.43 C#CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100153394163 [0,1,0,0,0,0|1,0,2]=4 2199 B17R0.43 C#CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100153394163 [0,1,0,0,0,0|1,0,2]=4 2200 B17R0.43 C#CCCCCCCCSCCCCCC(=O)N 62a_100153394163_100009817443 [0,1,0,0,0,0|1,0,2]=4 2201 B17R0.43 C#CCCCCCCNCCCCCCC(C)C 2230a_100000211014_100012276617 [0,1,0,0,0,0|2,0,1]=4 2202 B17R0.43 C#CCCCCCCNCCCCCCC(C)C 34a_100000211014_100012276617 [0,1,0,0,0,0|2,0,1]=4 2203 B17R0.43 C#CCCNCCCCCCCCCCC(=O)N 34a_100000755551_200010167045 [0,1,0,0,0,0|1,0,2]=4 2204 B17R0.43 C#CCCOCCCCCCCCCCC(=O)N 34a_100011215631_200010167045 [0,1,0,0,0,0|1,0,2]=4 2205 B17R0.43 C#CCCSCCCCCCCCCCC(=O)N 62a_100000688953_200010167045 [0,1,0,0,0,0|1,0,2]=4 2206 B17R0.43 C#CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000688953 [0,1,0,0,0,0|1,0,2]=4 2207 B17R0.43 C/C=C/COCCCCCCCCCCC(=O)N 34a_100016270725_200010167045 [0,1,0,0,0,0|1,0,2]=4 2208 B17R0.43 C/C=C/CSCCCCCCCCCCC(=O)N 62a_100102629194_200010167045 [0,1,0,0,0,0|1,0,2]=4 2209 B17R0.43 C/C=C/CSCCCCCCCCCCC(=O)N 62a_200010167045_100102629194 [0,1,0,0,0,0|1,0,2]=4 2210 B17R0.43 C=C(Br)CCOCCCCCCCCCCCO 34a_100009813270_100009812471 [0,1,0,0,0,0|3,0,0]=4 2211 B17R0.43 C=C(C)CCOCCCCCCCCCCCO 34a_100000764851_100009812471 [0,1,0,0,0,0|3,0,0]=4 2212 B17R0.43 C=C(C)CCOCCCCCCCCCOCC 34a_100009875440_100000730704 [0,1,0,0,0,0|3,0,0]=4 2213 B17R0.43 C=C(C)CCOCCCCCCCCCOCC 7a_100009875440_100000730704 [0,1,0,0,0,0|3,0,0]=4 2214 B17R0.43 C=C(C)CNCCCCCCCCCCCCO 2230a_100000066677_100000748629 [0,1,0,0,0,0|3,0,0]=4 2215 B17R0.43 C=C(C)CNCCCCCCCCCCCCO 34a_100000066677_100000748629 [0,1,0,0,0,0|3,0,0]=4 2216 B17R0.43 C=C(C)COCCCCCCCCCCCCN 34a_100000066677_100000748629 [0,1,0,0,0,0|3,0,0]=4 2217 B17R0.43 C=C(C)COCCCCCCCCCCCCO 34a_100000210245_100009813331 [0,1,0,0,0,0|3,0,0]=4 2218 B17R0.43 C=C(F)CNCCCCCCCCCCCCO 2230a_100000066677_100009893438 [0,1,0,0,0,0|3,0,0]=4 2219 B17R0.43 C=C(F)CNCCCCCCCCCCCCO 34a_100000066677_100009893438 [0,1,0,0,0,0|3,0,0]=4 2220 B17R0.43 C=C(F)COCCCCCCCCCCCCN 34a_100000066677_100009893438 [0,1,0,0,0,0|3,0,0]=4 2221 B17R0.43 C=C(F)COCCCCCCCCCCCCO 34a_200010262243_100009813331 [0,1,0,0,0,0|3,0,0]=4 2222 B17R0.43 C=CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_102130925996 [0,1,0,0,0,0|1,0,2]=4 2223 B17R0.43 C=CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_102130925996 [0,1,0,0,0,0|1,0,2]=4 2224 B17R0.43 C=CCCCCCCCCCCCNCC(C)O 2230a_100000210904_102130925996 [0,1,0,0,0,0|2,0,0]=3 2225 B17R0.43 C=CCCCCCCCCCCCNCC(C)O 34a_100000210904_102130925996 [0,1,0,0,0,0|2,0,0]=3 2226 B17R0.43 C=CCCCCCCCCCCCNCC(F)F 34a_100000765723_102130925996 [0,1,0,0,0,0|3,0,0]=4 2227 B17R0.43 C=CCCCCCCCCCCCOCC(=O)C 34a_100000211253_102130925996 [0,1,0,0,0,0|1,0,2]=4 2228 B17R0.43 C=CCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_102130925996 [0,1,0,0,0,0|2,0,0]=3 2229 B17R0.43 C=CCCCCCCCCCCCSCC(=O)N 62a_100000747473_102130925996 [0,1,0,0,0,0|1,0,2]=4 2230 B17R0.43 C=CCCCCCCCCCCCSCC(=O)N 62a_102130925996_100000747473 [0,1,0,0,0,0|1,0,2]=4 2231 B17R0.43 C=CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_102130925996 [0,1,0,0,0,0|1,0,2]=4 2232 B17R0.43 C=CCCCCCCCCCCCSCC(=O)[O-] 62a_102130925996_100020667443 [0,1,0,0,0,0|1,0,2]=4 2233 B17R0.43 C=CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011093070 [0,1,0,0,0,0|2,0,0]=3 2234 B17R0.43 C=CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011093070 [0,1,0,0,0,0|1,0,2]=4 2235 B17R0.43 C=CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011093070 [0,1,0,0,0,0|1,0,2]=4 2236 B17R0.43 C=CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011093070 [0,1,0,0,0,0|1,0,2]=4 2237 B17R0.43 C=CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011093070 [0,1,0,0,0,0|1,0,2]=4 2238 B17R0.43 C=CCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011093070 [0,1,0,0,0,0|2,0,0]=3 2239 B17R0.43 C=CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011093070 [0,1,0,0,0,0|1,0,2]=4 2240 B17R0.43 C=CCCCCCCCCCCSCCC(=O)N 62a_100011093070_100000744528 [0,1,0,0,0,0|1,0,2]=4 2241 B17R0.43 C=CCCCCCCCCCCSCCN(C)C 62a_100011093070_100000755713 [0,1,0,0,0,0|3,0,0]=4 2242 B17R0.43 C=CCCCCCCCCCNCCCC(=O)C 34a_100000081888_100000685027 [0,1,0,0,0,0|1,0,2]=4 2243 B17R0.43 C=CCCCCCCCCCNCCCC(=O)N 34a_100000081888_100102525003 [0,1,0,0,0,0|1,0,2]=4 2244 B17R0.43 C=CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100009814027 [0,1,0,0,0,0|1,0,2]=4 2245 B17R0.43 C=CCCCCCCCCCNCCCC(C)O 2230a_100000081888_200000718107 [0,1,0,0,0,0|2,0,0]=3 2246 B17R0.43 C=CCCCCCCCCCNCCCC(C)O 34a_100000081888_200000718107 [0,1,0,0,0,0|2,0,0]=3 2247 B17R0.43 C=CCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100009814027 [0,1,0,0,0,0|3,0,0]=4 2248 B17R0.43 C=CCCCCCCCCCNCCOC(C)C 2230a_100000081888_100000211751 [0,1,0,0,0,0|3,0,0]=4 2249 B17R0.43 C=CCCCCCCCCCNCCOC(C)C 2230a_100000701111_100009814027 [0,1,0,0,0,0|3,0,0]=4 2250 B17R0.43 C=CCCCCCCCCCNCCOC(C)C 34a_100000081888_100000211751 [0,1,0,0,0,0|3,0,0]=4 2251 B17R0.43 C=CCCCCCCCCCNCCOC(C)C 34a_100000701111_100009814027 [0,1,0,0,0,0|3,0,0]=4 2252 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 34a_100000038209_100000685027 [0,1,0,0,0,0|1,0,2]=4 2253 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100009814027 [0,1,0,0,0,0|1,0,2]=4 2254 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 7a_100000038209_100011215641 [0,1,0,0,0,0|1,0,2]=4 2255 B17R0.43 C=CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100009814027 [0,1,0,0,0,0|1,0,2]=4 2256 B17R0.43 C=CCCCCCCCCCOCCCC(=O)N 34a_100000038209_100102525003 [0,1,0,0,0,0|1,0,2]=4 2257 B17R0.43 C=CCCCCCCCCCOCCCC(=O)N 7a_100000038209_100102525003 [0,1,0,0,0,0|1,0,2]=4 2258 B17R0.43 C=CCCCCCCCCCOCCCC(C)O 34a_100000038209_200000718107 [0,1,0,0,0,0|2,0,0]=3 2259 B17R0.43 C=CCCCCCCCCCOCCCC(C)O 7a_100000038209_200000718107 [0,1,0,0,0,0|2,0,0]=3 2260 B17R0.43 C=CCCCCCCCCCOCCCN(C)C 7a_100000038209_100000757444 [0,1,0,0,0,0|3,0,0]=4 2261 B17R0.43 C=CCCCCCCCCCOCCNC(C)C 34a_100000224655_100009814027 [0,1,0,0,0,0|3,0,0]=4 2262 B17R0.43 C=CCCCCCCCCCOCCOC(C)C 34a_100000038209_100000211751 [0,1,0,0,0,0|3,0,0]=4 2263 B17R0.43 C=CCCCCCCCCCOCCOC(C)C 34a_100000211219_100009814027 [0,1,0,0,0,0|3,0,0]=4 2264 B17R0.43 C=CCCCCCCCCCOCCOC(C)C 7a_100000038209_100000211751 [0,1,0,0,0,0|3,0,0]=4 2265 B17R0.43 C=CCCCCCCCCCOCCOC(C)C 7a_100000211219_100009814027 [0,1,0,0,0,0|3,0,0]=4 2266 B17R0.43 C=CCCCCCCCCCSCCCC(=O)N 62a_100009814027_100102525003 [0,1,0,0,0,0|1,0,2]=4 2267 B17R0.43 C=CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100009814027 [0,1,0,0,0,0|1,0,2]=4 2268 B17R0.43 C=CCCCCCCCCCSCCCN(C)C 62a_100009814027_100000757444 [0,1,0,0,0,0|3,0,0]=4 2269 B17R0.43 C=CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011933949 [0,1,0,0,0,0|1,0,2]=4 2270 B17R0.43 C=CCCCCCCCCNCCCOC(C)C 2230a_100000737246_100011933949 [0,1,0,0,0,0|3,0,0]=4 2271 B17R0.43 C=CCCCCCCCCNCCCOC(C)C 34a_100000737246_100011933949 [0,1,0,0,0,0|3,0,0]=4 2272 B17R0.43 C=CCCCCCCCCOCCCCC(=O)C 34a_100011215194_100009817362 [0,1,0,0,0,0|1,0,2]=4 2273 B17R0.43 C=CCCCCCCCCOCCCCC(=O)C 7a_100011215194_100000735457 [0,1,0,0,0,0|1,0,2]=4 2274 B17R0.43 C=CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011933949 [0,1,0,0,0,0|1,0,2]=4 2275 B17R0.43 C=CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100011933949 [0,1,0,0,0,0|1,0,2]=4 2276 B17R0.43 C=CCCCCCCCCOCCCNC(C)C 34a_100000182298_100011933949 [0,1,0,0,0,0|3,0,0]=4 2277 B17R0.43 C=CCCCCCCCCOCCNCC(C)C 34a_100015185251_100011933949 [0,1,0,0,0,0|3,0,0]=4 2278 B17R0.43 C=CCCCCCCCCOCCOCC(C)C 34a_100000703358_100011933949 [0,1,0,0,0,0|3,0,0]=4 2279 B17R0.43 C=CCCCCCCCCOCCOCC(C)C 7a_100000703358_100011933949 [0,1,0,0,0,0|3,0,0]=4 2280 B17R0.43 C=CCCCCCCCCSCCCCN(C)C 62a_100011933949_100000690147 [0,1,0,0,0,0|3,0,0]=4 2281 B17R0.43 C=CCCCCCCCNCCCOCC(C)C 2230a_100000205972_100012355270 [0,1,0,0,0,0|3,0,0]=4 2282 B17R0.43 C=CCCCCCCCNCCCOCC(C)C 34a_100000205972_100012355270 [0,1,0,0,0,0|3,0,0]=4 2283 B17R0.43 C=CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100012355270 [0,1,0,0,0,0|1,0,2]=4 2284 B17R0.43 C=CCCCCCCCOCCCCCC(=O)N 34a_100000730831_100009817443 [0,1,0,0,0,0|1,0,2]=4 2285 B17R0.43 C=CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100012355270 [0,1,0,0,0,0|1,0,2]=4 2286 B17R0.43 C=CCCCCCCCOCCCCCC(=O)N 7a_100000730831_100009817443 [0,1,0,0,0,0|1,0,2]=4 2287 B17R0.43 C=CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100012355270 [0,1,0,0,0,0|1,0,2]=4 2288 B17R0.43 C=CCCCCCCCOCCCCNC(C)C 34a_100011521146_100012355270 [0,1,0,0,0,0|3,0,0]=4 2289 B17R0.43 C=CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100012355270 [0,1,0,0,0,0|1,0,2]=4 2290 B17R0.43 C=CCCCCCCCSCCCCCC(=O)N 62a_100012355270_100009817443 [0,1,0,0,0,0|1,0,2]=4 2291 B17R0.43 C=CCCCCCCOCCCCCNC(C)C 34a_100011629493_100011215473 [0,1,0,0,0,0|3,0,0]=4 2292 B17R0.43 C=CCCNCCCCCCCCCCC(=O)N 2230a_100015191253_200010167045 [0,1,0,0,0,0|1,0,2]=4 2293 B17R0.43 C=CCCOCCCCCCCCCCC(=O)N 34a_100011205117_200010167045 [0,1,0,0,0,0|1,0,2]=4 2294 B17R0.43 C=CCCSCCCCCCCCCCC(=O)N 62a_100000754431_200010167045 [0,1,0,0,0,0|1,0,2]=4 2295 B17R0.43 C=CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000754431 [0,1,0,0,0,0|1,0,2]=4 2296 B17R0.43 CC#CCNCCCCCCCCCCC(=O)N 2230a_100000685387_200010167045 [0,1,0,0,0,0|1,0,2]=4 2297 B17R0.43 CC#CCNCCCCCCCCCCC(=O)N 34a_100000685387_200010167045 [0,1,0,0,0,0|1,0,2]=4 2298 B17R0.43 CC#CCOCCCCCCCCCCC(=O)N 34a_100000761923_200010167045 [0,1,0,0,0,0|1,0,2]=4 2299 B17R0.43 CC#CCSCCCCCCCCCCC(=O)N 62a_100000748600_200010167045 [0,1,0,0,0,0|1,0,2]=4 2300 B17R0.43 CC#CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000748600 [0,1,0,0,0,0|1,0,2]=4 2301 B17R0.43 CC(=O)CCCCCCCCCCCCCCO 1458a_100000070787_100009828009 [0,1,0,0,0,0|1,0,0]=2 2302 B17R0.43 CC(=O)CCCCNCCCCCCCCCO 34a_100000078944_100009817362 [0,1,0,0,0,0|2,0,0]=3 2303 B17R0.43 CC(=O)CCCCOCCCCCCCCCBr 34a_100009813782_100009817362 [0,1,0,0,0,0|2,0,0]=3 2304 B17R0.43 CC(=O)CCCCOCCCCCCCCCBr 7a_100009813782_100000735457 [0,1,0,0,0,0|2,0,0]=3 2305 B17R0.43 CC(=O)CCCCOCCCCCCCCCCl 34a_100009868337_100009817362 [0,1,0,0,0,0|2,0,0]=3 2306 B17R0.43 CC(=O)CCCCOCCCCCCCCCCl 7a_100009868337_100000735457 [0,1,0,0,0,0|2,0,0]=3 2307 B17R0.43 CC(=O)CCCCOCCCCCCCCCN 34a_100000078944_100009817362 [0,1,0,0,0,0|2,0,0]=3 2308 B17R0.43 CC(=O)CCCCSCCCCCCCCCO 62a_100000735457_100009813782 [0,1,0,0,0,0|2,0,0]=3 2309 B17R0.43 CC(=O)CCCCSCCCCCCCCCO 62a_100009813782_100000735457 [0,1,0,0,0,0|2,0,0]=3 2310 B17R0.43 CC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000685027 [0,1,0,0,0,0|2,0,0]=3 2311 B17R0.43 CC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100000685027 [0,1,0,0,0,0|2,0,0]=3 2312 B17R0.43 CC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100011215641 [0,1,0,0,0,0|2,0,0]=3 2313 B17R0.43 CC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100000685027 [0,1,0,0,0,0|2,0,0]=3 2314 B17R0.43 CC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100011215641 [0,1,0,0,0,0|2,0,0]=3 2315 B17R0.43 CC(=O)CCCOCCCCCCCCCCN 34a_100000066964_100000685027 [0,1,0,0,0,0|2,0,0]=3 2316 B17R0.43 CC(=O)CCCOCCCCCCCCCCO 34a_100000759063_100009813290 [0,1,0,0,0,0|2,0,0]=3 2317 B17R0.43 CC(=O)CCCOCCCCCCCCCCO 7a_100000759063_100009813290 [0,1,0,0,0,0|2,0,0]=3 2318 B17R0.43 CC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100011215641 [0,1,0,0,0,0|2,0,0]=3 2319 B17R0.43 CC(=O)CCCSCCCCCCCCCCO 62a_100011215641_200000033068 [0,1,0,0,0,0|2,0,0]=3 2320 B17R0.43 CC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000053229 [0,1,0,0,0,0|2,0,0]=3 2321 B17R0.43 CC(=O)CCOCCCCCCCCCCCO 34a_100000759926_100009812471 [0,1,0,0,0,0|2,0,0]=3 2322 B17R0.43 CC(=O)CCOCCCCCCCCCCCO 7a_100000759926_100009812471 [0,1,0,0,0,0|2,0,0]=3 2323 B17R0.43 CC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000053229 [0,1,0,0,0,0|2,0,0]=3 2324 B17R0.43 CC(=O)COCCCCCCCCCCCCO 34a_100000211253_100009813331 [0,1,0,0,0,0|2,0,0]=3 2325 B17R0.43 CC(=O)COCCCCCCOCCCCCO 34a_100000211253_200132310570 [0,1,0,0,0,0|3,0,0]=4 2326 B17R0.43 CC(=O)NCCCCCCNCCCCCC=O 2230a_200011996284_100000139337 [0,1,0,0,0,0|2,0,1]=4 2327 B17R0.43 CC(=O)NCCCCCCNCCCCCCF 2230a_200011996284_100015922095 [0,1,0,0,0,0|3,0,0]=4 2328 B17R0.43 CC(=O)NCCCCCCNCCCCCCF 34a_200011996284_100015922095 [0,1,0,0,0,0|3,0,0]=4 2329 B17R0.43 CC(=O)NCCCCCCNCCCCCCO 2230a_200011996284_100000766143 [0,1,0,0,0,0|3,0,0]=4 2330 B17R0.43 CC(=O)NCCCCCCNCCCCCCO 34a_200011996284_100000766143 [0,1,0,0,0,0|3,0,0]=4 2331 B17R0.43 CC(=O)NCCCCCNCCCCCCCO 2230a_200012022750_100000760002 [0,1,0,0,0,0|3,0,0]=4 2332 B17R0.43 CC(=O)NCCCCCNCCCCCCCO 34a_200012022750_100000760002 [0,1,0,0,0,0|3,0,0]=4 2333 B17R0.43 CC(=O)NCCCCNCCCCCCCCO 2230a_200011368371_100000033203 [0,1,0,0,0,0|3,0,0]=4 2334 B17R0.43 CC(=O)NCCCCNCCCCCCCCO 34a_200011368371_100000033203 [0,1,0,0,0,0|3,0,0]=4 2335 B17R0.43 CC(=O)NCCCNCCCCCCCCCO 34a_100000736810_100009813782 [0,1,0,0,0,0|3,0,0]=4 2336 B17R0.43 CC(=O)NCCCOCCCCCCCCCO 34a_100000752032_100009813782 [0,1,0,0,0,0|3,0,0]=4 2337 B17R0.43 CC(=O)NCCNCCCCCCCCCCO 2230a_100000066964_100000189650 [0,1,0,0,0,0|3,0,0]=4 2338 B17R0.43 CC(=O)NCCNCCCCCCCCCCO 2230a_100000209853_100009813290 [0,1,0,0,0,0|3,0,0]=4 2339 B17R0.43 CC(=O)NCCOCCCCCCCCCCBr 7a_100009813290_100000189650 [0,1,0,0,0,0|3,0,0]=4 2340 B17R0.43 CC(=O)NCCOCCCCCCCCCCCl 7a_200000033068_100000189650 [0,1,0,0,0,0|3,0,0]=4 2341 B17R0.43 CC(=O)NCCOCCCCCCCCCCO 34a_100000158858_100009813290 [0,1,0,0,0,0|3,0,0]=4 2342 B17R0.43 CC(=O)NCCSCCCCCCCCCCO 62a_100000189650_200000033068 [0,1,0,0,0,0|3,0,0]=4 2343 B17R0.43 CC(=O)NCCSCCCCCCCCCCO 62a_100009813290_100000189650 [0,1,0,0,0,0|3,0,0]=4 2344 B17R0.43 CC(=O)OCCCCCNCCCCCCCO 2230a_100011996573_100009813381 [0,1,0,0,0,0|3,0,0]=4 2345 B17R0.43 CC(=O)OCCCCCNCCCCCCCO 34a_100011996573_100000033007 [0,1,0,0,0,0|3,0,0]=4 2346 B17R0.43 CC(=O)OCCCCCOCCCCCCCBr 34a_100000760002_100000033007 [0,1,0,0,0,0|3,0,0]=4 2347 B17R0.43 CC(=O)OCCCCCOCCCCCCCBr 7a_100000760002_100000033007 [0,1,0,0,0,0|3,0,0]=4 2348 B17R0.43 CC(=O)OCCCCCOCCCCCCCN 34a_100011996573_100000033007 [0,1,0,0,0,0|3,0,0]=4 2349 B17R0.43 CC(=O)OCCCCCSCCCCCCCO 62a_100000033007_100000760002 [0,1,0,0,0,0|3,0,0]=4 2350 B17R0.43 CC(=O)OCCCCCSCCCCCCCO 62a_100000760002_100000033007 [0,1,0,0,0,0|3,0,0]=4 2351 B17R0.43 CC(=O)OCCCCNCCCCCCCCO 34a_102515433106_100000033659 [0,1,0,0,0,0|3,0,0]=4 2352 B17R0.43 CC(=O)OCCCCOCCCCCCCCBr 34a_100009813846_100000033659 [0,1,0,0,0,0|3,0,0]=4 2353 B17R0.43 CC(=O)OCCCCOCCCCCCCCBr 7a_100009813846_100000033659 [0,1,0,0,0,0|3,0,0]=4 2354 B17R0.43 CC(=O)OCCCCOCCCCCCCCCl 34a_100000033203_100000033659 [0,1,0,0,0,0|3,0,0]=4 2355 B17R0.43 CC(=O)OCCCCOCCCCCCCCCl 7a_100000033203_100000033659 [0,1,0,0,0,0|3,0,0]=4 2356 B17R0.43 CC(=O)OCCCCOCCCCCCCCN 34a_102515433106_100000033659 [0,1,0,0,0,0|3,0,0]=4 2357 B17R0.43 CC(=O)OCCCCOCCCCCCCCO 34a_100000073216_100000033203 [0,1,0,0,0,0|3,0,0]=4 2358 B17R0.43 CC(=O)OCCCCOCCCCCCCCO 7a_100000073216_100000033203 [0,1,0,0,0,0|3,0,0]=4 2359 B17R0.43 CC(=O)OCCCCSCCCCCCCCO 62a_100000033203_100000033659 [0,1,0,0,0,0|3,0,0]=4 2360 B17R0.43 CC(=O)OCCCCSCCCCCCCCO 62a_100000033659_100000033203 [0,1,0,0,0,0|3,0,0]=4 2361 B17R0.43 CC(=O)OCCCNCCCCCCCCCO 34a_100000078944_100000042594 [0,1,0,0,0,0|3,0,0]=4 2362 B17R0.43 CC(=O)OCCCOCCCCCCCCCBr 34a_100009813782_100000042594 [0,1,0,0,0,0|3,0,0]=4 2363 B17R0.43 CC(=O)OCCCOCCCCCCCCCBr 7a_100009813782_100000042594 [0,1,0,0,0,0|3,0,0]=4 2364 B17R0.43 CC(=O)OCCCOCCCCCCCCCCl 34a_100009868337_100000042594 [0,1,0,0,0,0|3,0,0]=4 2365 B17R0.43 CC(=O)OCCCOCCCCCCCCCCl 7a_100009868337_100000042594 [0,1,0,0,0,0|3,0,0]=4 2366 B17R0.43 CC(=O)OCCCOCCCCCCCCCN 34a_100000078944_100000042594 [0,1,0,0,0,0|3,0,0]=4 2367 B17R0.43 CC(=O)OCCCSCCCCCCCCCO 62a_100000042594_100009813782 [0,1,0,0,0,0|3,0,0]=4 2368 B17R0.43 CC(=O)OCCCSCCCCCCCCCO 62a_100009813782_100000042594 [0,1,0,0,0,0|3,0,0]=4 2369 B17R0.43 CC(=O)OCCNCCCCCCCCCCO 34a_100000066964_100009814007 [0,1,0,0,0,0|3,0,0]=4 2370 B17R0.43 CC(=O)OCCOCCCCCCCCCCBr 34a_100009813290_100009814007 [0,1,0,0,0,0|3,0,0]=4 2371 B17R0.43 CC(=O)OCCOCCCCCCCCCCBr 7a_100009813290_100009814007 [0,1,0,0,0,0|3,0,0]=4 2372 B17R0.43 CC(=O)OCCOCCCCCCCCCCCl 34a_200000033068_100009814007 [0,1,0,0,0,0|3,0,0]=4 2373 B17R0.43 CC(=O)OCCOCCCCCCCCCCCl 7a_200000033068_100009814007 [0,1,0,0,0,0|3,0,0]=4 2374 B17R0.43 CC(=O)OCCOCCCCCCCCCCN 34a_100000066964_100009814007 [0,1,0,0,0,0|3,0,0]=4 2375 B17R0.43 CC(=O)OCCSCCCCCCCCCCO 62a_100009813290_100009814007 [0,1,0,0,0,0|3,0,0]=4 2376 B17R0.43 CC(=O)OCCSCCCCCCCCCCO 62a_100009814007_200000033068 [0,1,0,0,0,0|3,0,0]=4 2377 B17R0.43 CC(=O)OCOCCCCCCCCCCCBr 34a_100009812471_100009813279 [0,1,0,0,0,0|3,0,0]=4 2378 B17R0.43 CC(=O)OCSCCCCCCCCCCCO 62a_100009812471_100000076356 [0,1,0,0,0,0|3,0,0]=4 2379 B17R0.43 CC(=O)SCCCCNCCCCCCCCO 2230a_102515433106_200010402107 [0,1,0,0,0,0|3,0,0]=4 2380 B17R0.43 CC(=O)SCCCCNCCCCCCCCO 34a_102515433106_200010402107 [0,1,0,0,0,0|3,0,0]=4 2381 B17R0.43 CC(=O)SCCCCOCCCCCCCCBr 34a_100009813846_200010402107 [0,1,0,0,0,0|3,0,0]=4 2382 B17R0.43 CC(=O)SCCCCOCCCCCCCCBr 7a_100009813846_200010402107 [0,1,0,0,0,0|3,0,0]=4 2383 B17R0.43 CC(=O)SCCCCOCCCCCCCCCl 34a_100000033203_200010402107 [0,1,0,0,0,0|3,0,0]=4 2384 B17R0.43 CC(=O)SCCCCOCCCCCCCCCl 7a_100000033203_200010402107 [0,1,0,0,0,0|3,0,0]=4 2385 B17R0.43 CC(=O)SCCCCOCCCCCCCCN 34a_102515433106_200010402107 [0,1,0,0,0,0|3,0,0]=4 2386 B17R0.43 CC(=O)SCCCCSCCCCCCCCO 62a_100000033203_200010402107 [0,1,0,0,0,0|3,0,0]=4 2387 B17R0.43 CC(=O)SCCCCSCCCCCCCCO 62a_200010402107_100000033203 [0,1,0,0,0,0|3,0,0]=4 2388 B17R0.43 CC(=O)SCCCNCCCCCCCCCO 2230a_100000078944_100000038929 [0,1,0,0,0,0|3,0,0]=4 2389 B17R0.43 CC(=O)SCCCNCCCCCCCCCO 34a_100000078944_100000038929 [0,1,0,0,0,0|3,0,0]=4 2390 B17R0.43 CC(=O)SCCCOCCCCCCCCCBr 34a_100009813782_100000038929 [0,1,0,0,0,0|3,0,0]=4 2391 B17R0.43 CC(=O)SCCCOCCCCCCCCCBr 7a_100009813782_100000038929 [0,1,0,0,0,0|3,0,0]=4 2392 B17R0.43 CC(=O)SCCCOCCCCCCCCCCl 34a_100009868337_100000038929 [0,1,0,0,0,0|3,0,0]=4 2393 B17R0.43 CC(=O)SCCCOCCCCCCCCCCl 7a_100009868337_100000038929 [0,1,0,0,0,0|3,0,0]=4 2394 B17R0.43 CC(=O)SCCCOCCCCCCCCCN 34a_100000078944_100000038929 [0,1,0,0,0,0|3,0,0]=4 2395 B17R0.43 CC(=O)SCCCSCCCCCCCCCO 62a_100000038929_100009813782 [0,1,0,0,0,0|3,0,0]=4 2396 B17R0.43 CC(=O)SCCCSCCCCCCCCCO 62a_100009813782_100000038929 [0,1,0,0,0,0|3,0,0]=4 2397 B17R0.43 CC(Br)CCOCCCCCCCCCCCO 34a_100009893172_100009812471 [0,1,0,0,0,0|1,0,2]=4 2398 B17R0.43 CC(Br)COCCCCCCCCCCCCO 34a_100012180447_100009813331 [0,1,0,0,0,0|1,0,2]=4 2399 B17R0.43 CC(C)CCCCCCCOCCCCCC=O 7a_200000210741_100000139337 [0,1,0,0,0,0|1,0,0]=2 2400 B17R0.43 CC(C)CCCCCCCOCCCCCCO 34a_200000210741_100000766143 [0,1,0,0,0,0|1,0,2]=4 2401 B17R0.43 CC(C)CCCCCCCOCCCCCCO 7a_200000210741_100000766143 [0,1,0,0,0,0|1,0,2]=4 2402 B17R0.43 CC(C)CCCCCCNCCCCCCC#N 2230a_100000211014_100009813337 [0,1,0,0,0,0|2,0,1]=4 2403 B17R0.43 CC(C)CCCCCCNCCCCCCCO 2230a_100000211014_100000760002 [0,1,0,0,0,0|1,0,2]=4 2404 B17R0.43 CC(C)CCCCCCNCCCCCCCO 34a_100000211014_100000760002 [0,1,0,0,0,0|1,0,2]=4 2405 B17R0.43 CC(C)CCCCCNCCCCCCCCO 2230a_100011290863_100000033203 [0,1,0,0,0,0|1,0,2]=4 2406 B17R0.43 CC(C)CCCCCNCCCCCCCCO 2230a_102515433106_100000210682 [0,1,0,0,0,0|1,0,2]=4 2407 B17R0.43 CC(C)CCCCCNCCCCCCCCO 34a_100011290863_100000033203 [0,1,0,0,0,0|1,0,2]=4 2408 B17R0.43 CC(C)CCCCCNCCCCCCCCO 34a_102515433106_100000210682 [0,1,0,0,0,0|1,0,2]=4 2409 B17R0.43 CC(C)CCCCCOCCCCCCCCN 34a_102515433106_100000210682 [0,1,0,0,0,0|2,0,1]=4 2410 B17R0.43 CC(C)CCCCCOCCCCCCCCO 34a_100011995859_100000033203 [0,1,0,0,0,0|1,0,2]=4 2411 B17R0.43 CC(C)CCCCCOCCCCCCCCO 7a_100011995859_100000033203 [0,1,0,0,0,0|1,0,2]=4 2412 B17R0.43 CC(C)CCCCNCCCCCCCCCO 2230a_100000078944_100011216152 [0,1,0,0,0,0|1,0,2]=4 2413 B17R0.43 CC(C)CCCCNCCCCCCCCCO 34a_100000078944_100011216152 [0,1,0,0,0,0|1,0,2]=4 2414 B17R0.43 CC(C)CCCCOCCCCCCCCCN 34a_100000078944_100011216152 [0,1,0,0,0,0|2,0,1]=4 2415 B17R0.43 CC(C)CCCCOCCCCCCCCCO 34a_100011214890_100009813782 [0,1,0,0,0,0|1,0,2]=4 2416 B17R0.43 CC(C)CCCCOCCCCCCCCCO 7a_100011214890_100009813782 [0,1,0,0,0,0|1,0,2]=4 2417 B17R0.43 CC(C)CCCNCCCCCCCCCCO 2230a_100000066964_100011214892 [0,1,0,0,0,0|1,0,2]=4 2418 B17R0.43 CC(C)CCCNCCCCCCCCCCO 2230a_200000737386_100009813290 [0,1,0,0,0,0|1,0,2]=4 2419 B17R0.43 CC(C)CCCNCCCCCCCCCCO 34a_100000066964_100011214892 [0,1,0,0,0,0|1,0,2]=4 2420 B17R0.43 CC(C)CCCNCCCCCCCCCCO 34a_200000737386_100009813290 [0,1,0,0,0,0|1,0,2]=4 2421 B17R0.43 CC(C)CCCOCCCCCCCCCCN 34a_100000066964_100011214892 [0,1,0,0,0,0|2,0,1]=4 2422 B17R0.43 CC(C)CCCOCCCCCCCCCCO 34a_100000210774_100009813290 [0,1,0,0,0,0|1,0,2]=4 2423 B17R0.43 CC(C)CCCOCCCCCCCCCCO 7a_100000210774_100009813290 [0,1,0,0,0,0|1,0,2]=4 2424 B17R0.43 CC(C)CCOCCCCCCCCCCCO 34a_100000210254_100009812471 [0,1,0,0,0,0|1,0,2]=4 2425 B17R0.43 CC(C)CCOCCCCCCCCCCCO 7a_100000210254_100009812471 [0,1,0,0,0,0|1,0,2]=4 2426 B17R0.43 CC(C)CNCCCCCCCCCCCCO 2230a_100000066677_100000210760 [0,1,0,0,0,0|1,0,2]=4 2427 B17R0.43 CC(C)CNCCCCCCCCCCCCO 2230a_100000210953_100009813331 [0,1,0,0,0,0|1,0,2]=4 2428 B17R0.43 CC(C)CNCCCCCCCCCCCCO 270004a_100000066677_100000210432 [0,1,0,0,0,0|1,0,2]=4 2429 B17R0.43 CC(C)CNCCCCCCCCCCCCO 34a_100000066677_100000210624 [0,1,0,0,0,0|1,0,2]=4 2430 B17R0.43 CC(C)CNCCCCCCCCCCCCO 34a_100000210953_100009813331 [0,1,0,0,0,0|1,0,2]=4 2431 B17R0.43 CC(C)COCCCCCCCCCCCCN 34a_100000066677_100000210624 [0,1,0,0,0,0|2,0,1]=4 2432 B17R0.43 CC(C)COCCCCCCCCCCCCO 34a_100000210257_100009813331 [0,1,0,0,0,0|1,0,2]=4 2433 B17R0.43 CC(C)NCCCCCCCCCCCCCO 2230a_100138425928_100009812470 [0,1,0,0,0,0|1,0,2]=4 2434 B17R0.43 CC(C)NCCCCCCCCCCCCCO 34a_100138425928_100009812470 [0,1,0,0,0,0|1,0,2]=4 2435 B17R0.43 CC(C)OCCCCCCCCCCCCCO 34a_100000212225_100009812470 [0,1,0,0,0,0|1,0,2]=4 2436 B17R0.43 CC(F)COCCCCCCCCCCCCO 34a_100015925927_100009813331 [0,1,0,0,0,0|1,0,2]=4 2437 B17R0.43 CC(O)CCCNCCCCCCCCCCO 2230a_100000066964_200000718107 [0,1,0,0,0,0|1,0,2]=4 2438 B17R0.43 CC(O)CCCNCCCCCCCCCCO 34a_100000066964_200000718107 [0,1,0,0,0,0|1,0,2]=4 2439 B17R0.43 CC(O)CCCOCCCCCCCCCCBr 34a_100009813290_200000718107 [0,1,0,0,0,0|2,0,1]=4 2440 B17R0.43 CC(O)CCCOCCCCCCCCCCBr 7a_100009813290_200000718107 [0,1,0,0,0,0|2,0,1]=4 2441 B17R0.43 CC(O)CCCOCCCCCCCCCCCl 34a_200000033068_200000718107 [0,1,0,0,0,0|2,0,1]=4 2442 B17R0.43 CC(O)CCCOCCCCCCCCCCCl 7a_200000033068_200000718107 [0,1,0,0,0,0|2,0,1]=4 2443 B17R0.43 CC(O)CCCOCCCCCCCCCCN 34a_100000066964_200000718107 [0,1,0,0,0,0|2,0,1]=4 2444 B17R0.43 CC(O)CCCSCCCCCCCCCCO 62a_100009813290_200000718107 [0,1,0,0,0,0|1,0,2]=4 2445 B17R0.43 CC(O)CCCSCCCCCCCCCCO 62a_200000718107_200000033068 [0,1,0,0,0,0|1,0,2]=4 2446 B17R0.43 CC(O)CCNCCCCCCCCCCCO 2230a_200000755665_100009812471 [0,1,0,0,0,0|1,0,2]=4 2447 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 34a_100009812471_100012276601 [0,1,0,0,0,0|2,0,1]=4 2448 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 7a_100009812471_100012276601 [0,1,0,0,0,0|2,0,1]=4 2449 B17R0.43 CC(O)CCSCCCCCCCCCCCO 62a_100009812471_100012276601 [0,1,0,0,0,0|1,0,2]=4 2450 B17R0.43 CC(O)CNCCCCCCCCCCCCO 2230a_100000066677_100011218427 [0,1,0,0,0,0|1,0,2]=4 2451 B17R0.43 CC(O)CNCCCCCCCCCCCCO 2230a_100000210904_100009813331 [0,1,0,0,0,0|1,0,2]=4 2452 B17R0.43 CC(O)CNCCCCCCCCCCCCO 34a_100000066677_100011218427 [0,1,0,0,0,0|1,0,2]=4 2453 B17R0.43 CC(O)CNCCCCCCCCCCCCO 34a_100000210904_100009813331 [0,1,0,0,0,0|1,0,2]=4 2454 B17R0.43 CC(O)COCCCCCCCCCCCCBr 34a_100009813331_100011218427 [0,1,0,0,0,0|2,0,1]=4 2455 B17R0.43 CC(O)COCCCCCCCCCCCCBr 7a_100009813331_100011218427 [0,1,0,0,0,0|2,0,1]=4 2456 B17R0.43 CC(O)COCCCCCCCCCCCCN 34a_100000066677_100011218427 [0,1,0,0,0,0|2,0,1]=4 2457 B17R0.43 CC(O)CSCCCCCCCCCCCCO 62a_100009813331_100011218427 [0,1,0,0,0,0|1,0,2]=4 2458 B17R0.43 CC/C=C\CCCCCCCNCCCC(=O)N 269862a_100000739312_200025770492 [0,1,0,0,0,0|1,0,2]=4 2459 B17R0.43 CC/C=C\CCCCCOCCCCCC(=O)N 34a_100016268722_100009817443 [0,1,0,0,0,0|1,0,2]=4 2460 B17R0.43 CC/C=C\CCCCCOCCCCCC(=O)N 7a_100016268722_100009817443 [0,1,0,0,0,0|1,0,2]=4 2461 B17R0.43 CC=CCSCCCCCCCCCCC(=O)N 62a_100000070051_200010167045 [0,1,0,0,0,0|1,0,2]=4 2462 B17R0.43 CC=CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000070051 [0,1,0,0,0,0|1,0,2]=4 2463 B17R0.43 CCC#CCCCCCCCCOCCC(=O)C 7a_200000031908_100000053229 [0,1,0,0,0,0|1,0,2]=4 2464 B17R0.43 CCC#CCCCCCCCCOCCC(=O)N 34a_200000031908_100000731001 [0,1,0,0,0,0|1,0,2]=4 2465 B17R0.43 CCC#CCCCCCCCCOCCC(=O)N 7a_200000031908_100000744528 [0,1,0,0,0,0|1,0,2]=4 2466 B17R0.43 CCC#CCCCCCCNCCCCC(=O)N 34a_100000696515_200000036426 [0,1,0,0,0,0|1,0,2]=4 2467 B17R0.43 CCC#CCCCCCCOCCCCC(=O)N 34a_100012022536_200000036426 [0,1,0,0,0,0|1,0,2]=4 2468 B17R0.43 CCC#CCCCCCCOCCCCC(=O)N 7a_100012022536_200000036426 [0,1,0,0,0,0|1,0,2]=4 2469 B17R0.43 CCC#CCCCCCCSCCCCC(=O)C 62a_100000735457_200000036426 [0,1,0,0,0,0|1,0,2]=4 2470 B17R0.43 CCC#CCCCCCCSCCCCC(=O)C 62a_200000036426_100000735457 [0,1,0,0,0,0|1,0,2]=4 2471 B17R0.43 CCCC/C=C/CCCCOCCCCC(=O)C 34a_200020645093_100009817362 [0,1,0,0,0,0|1,0,2]=4 2472 B17R0.43 CCCC/C=C/CCCCOCCCCC(=O)C 7a_200020645093_100000735457 [0,1,0,0,0,0|1,0,2]=4 2473 B17R0.43 CCCCC#CCCCCCCOCCC(=O)C 34a_100000759926_200000043322 [0,1,0,0,0,0|1,0,2]=4 2474 B17R0.43 CCCCC#CCCCCCCOCCC(=O)C 7a_100000759926_200000043322 [0,1,0,0,0,0|1,0,2]=4 2475 B17R0.43 CCCCC#CCCCCCCOCCC(=O)N 34a_100000757172_200000043322 [0,1,0,0,0,0|1,0,2]=4 2476 B17R0.43 CCCCC#CCCCCCCOCCC(=O)N 7a_100000757172_200000043322 [0,1,0,0,0,0|1,0,2]=4 2477 B17R0.43 CCCCC#CCCCCCCSCCC(=O)C 62a_100000053229_200000043322 [0,1,0,0,0,0|1,0,2]=4 2478 B17R0.43 CCCCC#CCCCCCCSCCC(=O)C 62a_200000043322_100000053229 [0,1,0,0,0,0|1,0,2]=4 2479 B17R0.43 CCCCC#CCCCCCCSCCC(=O)N 62a_100000744528_200000043322 [0,1,0,0,0,0|1,0,2]=4 2480 B17R0.43 CCCCC#CCCCCCCSCCC(=O)N 62a_200000043322_100000744528 [0,1,0,0,0,0|1,0,2]=4 2481 B17R0.43 CCCCC#CCCCCOCCCCC(=O)C 34a_200000066234_100009817362 [0,1,0,0,0,0|1,0,2]=4 2482 B17R0.43 CCCCC#CCCCCOCCCCC(=O)C 7a_200000066234_100000735457 [0,1,0,0,0,0|1,0,2]=4 2483 B17R0.43 CCCCC#CCCCOCCCCCC(=O)N 34a_100000123541_200000047210 [0,1,0,0,0,0|1,0,2]=4 2484 B17R0.43 CCCCC#CCCCOCCCCCC(=O)N 7a_100000123541_200000047210 [0,1,0,0,0,0|1,0,2]=4 2485 B17R0.43 CCCCC#CCCCOCCCCCC(=O)[O-] 7a_100102619762_200000047210 [0,1,0,0,0,0|1,0,2]=4 2486 B17R0.43 CCCCC#CCCCSCCCCCC(=O)N 62a_100009817443_200000047210 [0,1,0,0,0,0|1,0,2]=4 2487 B17R0.43 CCCCC#CCCCSCCCCCC(=O)N 62a_200000047210_100009817443 [0,1,0,0,0,0|1,0,2]=4 2488 B17R0.43 CCCCC/C=C\CCCOCCCCC(=O)C 34a_100020655193_100009817362 [0,1,0,0,0,0|1,0,2]=4 2489 B17R0.43 CCCCC/C=C\CCCOCCCCC(=O)C 7a_100020655193_100000735457 [0,1,0,0,0,0|1,0,2]=4 2490 B17R0.43 CCCCC/C=C\CCOCCCCCC(=O)N 34a_100016277358_100009817443 [0,1,0,0,0,0|1,0,2]=4 2491 B17R0.43 CCCCC/C=C\CCOCCCCCC(=O)N 7a_100016277358_100009817443 [0,1,0,0,0,0|1,0,2]=4 2492 B17R0.43 CCCCCC#CCCOCCCCCC(=O)N 34a_200000042877_100009817443 [0,1,0,0,0,0|1,0,2]=4 2493 B17R0.43 CCCCCC#CCCOCCCCCC(=O)N 7a_200000042877_100009817443 [0,1,0,0,0,0|1,0,2]=4 2494 B17R0.43 CCCCCC/C=C/COCCCCCC(=O)N 34a_200016276170_100009817443 [0,1,0,0,0,0|1,0,2]=4 2495 B17R0.43 CCCCCC/C=C/COCCCCCC(=O)N 7a_200016276170_100009817443 [0,1,0,0,0,0|1,0,2]=4 2496 B17R0.43 CCCCCCC#CCCOCCCCC(=O)C 34a_200000033163_100009817362 [0,1,0,0,0,0|1,0,2]=4 2497 B17R0.43 CCCCCCC#CCCOCCCCC(=O)C 7a_200000033163_100000735457 [0,1,0,0,0,0|1,0,2]=4 2498 B17R0.43 CCCCCCC#CCOCCCCCC(=O)N 34a_200000037284_100009817443 [0,1,0,0,0,0|1,0,2]=4 2499 B17R0.43 CCCCCCC#CCOCCCCCC(=O)N 7a_200000037284_100009817443 [0,1,0,0,0,0|1,0,2]=4 2500 B17R0.43 CCCCCCCC#CCOCCCCC(=O)C 34a_200000061759_100009817362 [0,1,0,0,0,0|1,0,2]=4 2501 B17R0.43 CCCCCCCC#CCOCCCCC(=O)C 7a_200000061759_100000735457 [0,1,0,0,0,0|1,0,2]=4 2502 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)C 34a_200020667288_100000685027 [0,1,0,0,0,0|1,0,2]=4 2503 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)C 7a_200020667288_100011215641 [0,1,0,0,0,0|1,0,2]=4 2504 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)N 34a_200020667288_100102525003 [0,1,0,0,0,0|1,0,2]=4 2505 B17R0.43 CCCCCCCC/C=C/COCCCC(=O)N 7a_200020667288_100102525003 [0,1,0,0,0,0|1,0,2]=4 2506 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)C 7a_100015232335_100000053229 [0,1,0,0,0,0|1,0,2]=4 2507 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)N 34a_100015232335_100000731001 [0,1,0,0,0,0|1,0,2]=4 2508 B17R0.43 CCCCCCCCC/C=C/COCCC(=O)N 7a_100015232335_100000744528 [0,1,0,0,0,0|1,0,2]=4 2509 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)N 34a_200025761149_100000187820 [0,1,0,0,0,0|1,0,2]=4 2510 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)N 7a_200025761149_100000187820 [0,1,0,0,0,0|1,0,2]=4 2511 B17R0.43 CCCCCCCCCC/C=C/COCC(=O)[O-] 34a_200025761149_100020667443 [0,1,0,0,0,0|1,0,2]=4 2512 B17R0.43 CCCCCCCCCCCCC=NNC(=O)C 4a_100000189765_200011215488 [0,1,0,0,0,0|2,0,1]=4 2513 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 11a_100011217771_100015343762 [0,1,0,0,0,0|1,0,0]=2 2514 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 1626a_100011217771_100015343762 [0,1,0,0,0,0|1,0,0]=2 2515 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 240690a_100011217771_100015343762 [0,1,0,0,0,0|1,0,0]=2 2516 B17R0.43 CCCCCCCCCCCCCCNC(=O)C 527a_100011217771_100103153847 [0,1,0,0,0,0|1,0,0]=2 2517 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210684 [0,1,0,0,0,0|1,0,0]=2 2518 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 2230a_100011215765_100000747473 [0,1,0,0,0,0|1,0,0]=2 2519 B17R0.43 CCCCCCCCCCCCCNCC(=O)N 34a_100011215765_100000187820 [0,1,0,0,0,0|1,0,0]=2 2520 B17R0.43 CCCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210684 [0,1,0,0,0,0|1,0,0]=2 2521 B17R0.43 CCCCCCCCCCCCCNCC(=O)[O-] 34a_100011215765_100020667443 [0,1,0,0,0,0|1,0,0]=2 2522 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100000210904_100000210684 [0,1,0,0,0,0|1,0,2]=4 2523 B17R0.43 CCCCCCCCCCCCCNCC(C)O 2230a_100011215765_100011218427 [0,1,0,0,0,0|1,0,2]=4 2524 B17R0.43 CCCCCCCCCCCCCNCC(C)O 270004a_100000210904_200011215488 [0,1,0,0,0,0|1,0,2]=4 2525 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100000210904_100000210684 [0,1,0,0,0,0|1,0,2]=4 2526 B17R0.43 CCCCCCCCCCCCCNCC(C)O 34a_100011215765_100011218427 [0,1,0,0,0,0|1,0,2]=4 2527 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 2230a_100011215765_100009817552 [0,1,0,0,0,0|1,0,2]=4 2528 B17R0.43 CCCCCCCCCCCCCNC[C@@H](C)O 34a_100011215765_100009817552 [0,1,0,0,0,0|1,0,2]=4 2529 B17R0.43 CCCCCCCCCCCCCNC[N+](=O)[O-] 34a_100011215765_100000761209 [0,1,0,0,0,0|2,0,0]=3 2530 B17R0.43 CCCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000210684 [0,1,0,0,0,0|1,0,0]=2 2531 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 34a_100000185773_100000187820 [0,1,0,0,0,0|1,0,0]=2 2532 B17R0.43 CCCCCCCCCCCCCOCC(=O)N 7a_100000185773_100000187820 [0,1,0,0,0,0|1,0,0]=2 2533 B17R0.43 CCCCCCCCCCCCCOCC(=O)[O-] 34a_100000185773_100020667443 [0,1,0,0,0,0|1,0,0]=2 2534 B17R0.43 CCCCCCCCCCCCCOCC(C)O 34a_100000185773_100011218427 [0,1,0,0,0,0|1,0,2]=4 2535 B17R0.43 CCCCCCCCCCCCCOCC(C)O 7a_100000185773_100011218427 [0,1,0,0,0,0|1,0,2]=4 2536 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210684 [0,1,0,0,0,0|2,0,1]=4 2537 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 34a_100000185773_100009817552 [0,1,0,0,0,0|1,0,2]=4 2538 B17R0.43 CCCCCCCCCCCCCOC[C@@H](C)O 7a_100000185773_100009817552 [0,1,0,0,0,0|1,0,2]=4 2539 B17R0.43 CCCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000185773_100000761209 [0,1,0,0,0,0|2,0,0]=3 2540 B17R0.43 CCCCCCCCCCCCCSCC(=O)N 62a_100000747473_100011934334 [0,1,0,0,0,0|1,0,0]=2 2541 B17R0.43 CCCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011934334 [0,1,0,0,0,0|1,0,0]=2 2542 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 2230a_100000210451_100000744528 [0,1,0,0,0,0|1,0,0]=2 2543 B17R0.43 CCCCCCCCCCCCNCCC(=O)N 34a_100000210451_100000731001 [0,1,0,0,0,0|1,0,0]=2 2544 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_100000210451_100012276601 [0,1,0,0,0,0|1,0,2]=4 2545 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215052 [0,1,0,0,0,0|1,0,2]=4 2546 B17R0.43 CCCCCCCCCCCCNCCC(C)O 270004a_200000755665_100011218549 [0,1,0,0,0,0|1,0,2]=4 2547 B17R0.43 CCCCCCCCCCCCNCCC(C)O 34a_100000210451_100012276601 [0,1,0,0,0,0|1,0,2]=4 2548 B17R0.43 CCCCCCCCCCCCNCCN(C)C 270004a_100000210585_100011218549 [0,1,0,0,0,0|3,0,0]=4 2549 B17R0.43 CCCCCCCCCCCCNCOC(=O)C 34a_100000210451_100009813279 [0,1,0,0,0,0|2,0,0]=3 2550 B17R0.43 CCCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000759014 [0,1,0,0,0,0|2,0,0]=3 2551 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 34a_100000759926_100000759014 [0,1,0,0,0,0|1,0,0]=2 2552 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000210810_100000053229 [0,1,0,0,0,0|1,0,0]=2 2553 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000759926_100000759014 [0,1,0,0,0,0|1,0,0]=2 2554 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000210810_100000731001 [0,1,0,0,0,0|1,0,0]=2 2555 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 34a_100000757172_100000759014 [0,1,0,0,0,0|1,0,0]=2 2556 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000210810_100000744528 [0,1,0,0,0,0|1,0,0]=2 2557 B17R0.43 CCCCCCCCCCCCOCCC(=O)N 7a_100000757172_100000759014 [0,1,0,0,0,0|1,0,0]=2 2558 B17R0.43 CCCCCCCCCCCCOCCC(C)O 34a_100000210810_100012276601 [0,1,0,0,0,0|1,0,2]=4 2559 B17R0.43 CCCCCCCCCCCCOCCC(C)O 7a_100000210810_100012276601 [0,1,0,0,0,0|1,0,2]=4 2560 B17R0.43 CCCCCCCCCCCCOCCN(C)C 7a_100000210810_100000755713 [0,1,0,0,0,0|3,0,0]=4 2561 B17R0.43 CCCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000759014 [0,1,0,0,0,0|2,0,1]=4 2562 B17R0.43 CCCCCCCCCCCCOCOC(=O)C 34a_100000210810_100009813279 [0,1,0,0,0,0|2,0,0]=3 2563 B17R0.43 CCCCCCCCCCCCSCCC(=O)N 62a_100000744528_100000759014 [0,1,0,0,0,0|1,0,0]=2 2564 B17R0.43 CCCCCCCCCCCNCCCC(=O)C 34a_200011215754_100000685027 [0,1,0,0,0,0|1,0,0]=2 2565 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_100000739312_100011215454 [0,1,0,0,0,0|1,0,0]=2 2566 B17R0.43 CCCCCCCCCCCNCCCC(=O)N 34a_200011215754_100102525003 [0,1,0,0,0,0|1,0,0]=2 2567 B17R0.43 CCCCCCCCCCCNCCCC(C)O 2230a_200011215754_200000718107 [0,1,0,0,0,0|1,0,2]=4 2568 B17R0.43 CCCCCCCCCCCNCCCC(C)O 34a_200011215754_200000718107 [0,1,0,0,0,0|1,0,2]=4 2569 B17R0.43 CCCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011215454 [0,1,0,0,0,0|2,0,0]=3 2570 B17R0.43 CCCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011215454 [0,1,0,0,0,0|2,0,0]=3 2571 B17R0.43 CCCCCCCCCCCNCCNC(=O)C 2230a_200011215754_100000189650 [0,1,0,0,0,0|2,0,0]=3 2572 B17R0.43 CCCCCCCCCCCNCCNC(=O)N 2230a_200011215754_200000034859 [0,1,0,0,0,0|2,0,0]=3 2573 B17R0.43 CCCCCCCCCCCNCCNC(=O)N 34a_100020590234_100011215454 [0,1,0,0,0,0|2,0,0]=3 2574 B17R0.43 CCCCCCCCCCCNCCOC(=O)C 34a_200011215754_100009814007 [0,1,0,0,0,0|2,0,0]=3 2575 B17R0.43 CCCCCCCCCCCNCCOC(=O)N 34a_200011215754_200011214921 [0,1,0,0,0,0|2,0,0]=3 2576 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000210809_100000685027 [0,1,0,0,0,0|1,0,0]=2 2577 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 34a_100000759063_100011215454 [0,1,0,0,0,0|1,0,0]=2 2578 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000210809_100011215641 [0,1,0,0,0,0|1,0,0]=2 2579 B17R0.43 CCCCCCCCCCCOCCCC(=O)C 7a_100000759063_100011215454 [0,1,0,0,0,0|1,0,0]=2 2580 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 34a_100000210809_100102525003 [0,1,0,0,0,0|1,0,0]=2 2581 B17R0.43 CCCCCCCCCCCOCCCC(=O)N 7a_100000210809_100102525003 [0,1,0,0,0,0|1,0,0]=2 2582 B17R0.43 CCCCCCCCCCCOCCCC(C)O 34a_100000210809_200000718107 [0,1,0,0,0,0|1,0,2]=4 2583 B17R0.43 CCCCCCCCCCCOCCCC(C)O 7a_100000210809_200000718107 [0,1,0,0,0,0|1,0,2]=4 2584 B17R0.43 CCCCCCCCCCCOCCCN(C)C 7a_100000210809_100000757444 [0,1,0,0,0,0|3,0,0]=4 2585 B17R0.43 CCCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011215454 [0,1,0,0,0,0|2,0,0]=3 2586 B17R0.43 CCCCCCCCCCCOCCNC(=O)C 34a_100000158858_100011215454 [0,1,0,0,0,0|2,0,0]=3 2587 B17R0.43 CCCCCCCCCCCOCCNC(=O)C 7a_100000210809_100000189650 [0,1,0,0,0,0|2,0,0]=3 2588 B17R0.43 CCCCCCCCCCCOCCNC(=O)N 34a_100000181757_100011215454 [0,1,0,0,0,0|2,0,0]=3 2589 B17R0.43 CCCCCCCCCCCOCCNC(=O)N 7a_100000210809_200000034859 [0,1,0,0,0,0|2,0,0]=3 2590 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 34a_100000210809_100009814007 [0,1,0,0,0,0|2,0,0]=3 2591 B17R0.43 CCCCCCCCCCCOCCOC(=O)C 7a_100000210809_100009814007 [0,1,0,0,0,0|2,0,0]=3 2592 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 34a_100000210809_200011214921 [0,1,0,0,0,0|2,0,0]=3 2593 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 7a_100000210809_200011214921 [0,1,0,0,0,0|2,0,0]=3 2594 B17R0.43 CCCCCCCCCCCOCCOC(=O)N 7a_100000766696_100011215454 [0,1,0,0,0,0|2,0,0]=3 2595 B17R0.43 CCCCCCCCCCCSCCCC(=O)N 62a_100102525003_100011215454 [0,1,0,0,0,0|1,0,0]=2 2596 B17R0.43 CCCCCCCCCCCSCCNC(=O)C 62a_100000189650_100011215454 [0,1,0,0,0,0|2,0,0]=3 2597 B17R0.43 CCCCCCCCCCCSCCNC(=O)N 62a_200000034859_100011215454 [0,1,0,0,0,0|2,0,0]=3 2598 B17R0.43 CCCCCCCCCCCSCCOC(=O)C 62a_100009814007_100011215454 [0,1,0,0,0,0|2,0,0]=3 2599 B17R0.43 CCCCCCCCCCCSCCOC(=O)N 62a_200011214921_100011215454 [0,1,0,0,0,0|2,0,0]=3 2600 B17R0.43 CCCCCCCCCCNCCCCB(O)O 2230a_100000684558_200009817182 [0,1,0,0,0,0|2,0,1]=4 2601 B17R0.43 CCCCCCCCCCNCCCCB(O)O 34a_100000684558_200009817182 [0,1,0,0,0,0|2,0,1]=4 2602 B17R0.43 CCCCCCCCCCNCCCCC(=O)C 34a_100000684558_100009817362 [0,1,0,0,0,0|1,0,0]=2 2603 B17R0.43 CCCCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210320 [0,1,0,0,0,0|1,0,0]=2 2604 B17R0.43 CCCCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210320 [0,1,0,0,0,0|2,0,0]=3 2605 B17R0.43 CCCCCCCCCCNCCCOC(=O)C 34a_100000684558_100000042594 [0,1,0,0,0,0|2,0,0]=3 2606 B17R0.43 CCCCCCCCCCNCCCOC(=S)C 2230a_100000684558_200135323944 [0,1,0,0,0,0|2,1,0]=4 2607 B17R0.43 CCCCCCCCCCNCCCOC(=S)C 34a_100000684558_200135323944 [0,1,0,0,0,0|2,1,0]=4 2608 B17R0.43 CCCCCCCCCCNCCCSC(=O)C 2230a_100000684558_100000038929 [0,1,0,0,0,0|2,0,0]=3 2609 B17R0.43 CCCCCCCCCCNCCCSC(=O)C 34a_100000684558_100000038929 [0,1,0,0,0,0|2,0,0]=3 2610 B17R0.43 CCCCCCCCCCNCCOCC(=O)N 2230a_100000684558_100000076697 [0,1,0,0,0,0|2,0,0]=3 2611 B17R0.43 CCCCCCCCCCNCCOCC(=O)N 34a_100000684558_100000076697 [0,1,0,0,0,0|2,0,0]=3 2612 B17R0.43 CCCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210320 [0,1,0,0,0,0|2,0,0]=3 2613 B17R0.43 CCCCCCCCCCOCCCCB(O)O 34a_100000210711_200009817182 [0,1,0,0,0,0|2,0,1]=4 2614 B17R0.43 CCCCCCCCCCOCCCCB(O)O 7a_100000210711_200009817182 [0,1,0,0,0,0|2,0,1]=4 2615 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 34a_100000210711_100009817362 [0,1,0,0,0,0|1,0,0]=2 2616 B17R0.43 CCCCCCCCCCOCCCCC(=O)C 7a_100000210711_100000735457 [0,1,0,0,0,0|1,0,0]=2 2617 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210320 [0,1,0,0,0,0|1,0,0]=2 2618 B17R0.43 CCCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210320 [0,1,0,0,0,0|1,0,0]=2 2619 B17R0.43 CCCCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210320 [0,1,0,0,0,0|2,0,0]=3 2620 B17R0.43 CCCCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210320 [0,1,0,0,0,0|2,0,0]=3 2621 B17R0.43 CCCCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210320 [0,1,0,0,0,0|2,0,0]=3 2622 B17R0.43 CCCCCCCCCCOCCCOC(=O)C 34a_100000210711_100000042594 [0,1,0,0,0,0|2,0,0]=3 2623 B17R0.43 CCCCCCCCCCOCCCOC(=O)C 7a_100000210711_100000042594 [0,1,0,0,0,0|2,0,0]=3 2624 B17R0.43 CCCCCCCCCCOCCCOC(=S)C 34a_100000210711_200135323944 [0,1,0,0,0,0|2,1,0]=4 2625 B17R0.43 CCCCCCCCCCOCCCOC(=S)C 7a_100000210711_200135323944 [0,1,0,0,0,0|2,1,0]=4 2626 B17R0.43 CCCCCCCCCCOCCCSC(=O)C 34a_100000210711_100000038929 [0,1,0,0,0,0|2,0,0]=3 2627 B17R0.43 CCCCCCCCCCOCCCSC(=O)C 7a_100000210711_100000038929 [0,1,0,0,0,0|2,0,0]=3 2628 B17R0.43 CCCCCCCCCCOCCOCC(=O)N 34a_100000210711_100000076697 [0,1,0,0,0,0|2,0,0]=3 2629 B17R0.43 CCCCCCCCCCOCCOCC(=O)N 7a_100000210711_100000076697 [0,1,0,0,0,0|2,0,0]=3 2630 B17R0.43 CCCCCCCCCCSCCCCB(O)O 62a_200009817182_100000210320 [0,1,0,0,0,0|2,0,1]=4 2631 B17R0.43 CCCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210320 [0,1,0,0,0,0|2,0,0]=3 2632 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 34a_100011628728_100000187820 [0,1,0,0,0,0|2,0,0]=3 2633 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210320 [0,1,0,0,0,0|2,0,0]=3 2634 B17R0.43 CCCCCCCCCCSCCOCC(=O)N 7a_100011628728_100000187820 [0,1,0,0,0,0|2,0,0]=3 2635 B17R0.43 CCCCCCCCCCSCCOCC(=O)[O-] 34a_100011628728_100020667443 [0,1,0,0,0,0|2,0,0]=3 2636 B17R0.43 CCCCCCCCCCSCCOC[N+](=O)[O-] 34a_100011628728_100000761209 [0,1,0,0,0,0|3,0,0]=4 2637 B17R0.43 CCCCCCCCCNCCCCCB(O)O 2230a_100000212291_200009817188 [0,1,0,0,0,0|2,0,1]=4 2638 B17R0.43 CCCCCCCCCNCCCCCB(O)O 34a_100000212291_200009817188 [0,1,0,0,0,0|2,0,1]=4 2639 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 2230a_100000212291_100009817443 [0,1,0,0,0,0|1,0,0]=2 2640 B17R0.43 CCCCCCCCCNCCCCCC(=O)N 34a_100000212291_100009817443 [0,1,0,0,0,0|1,0,0]=2 2641 B17R0.43 CCCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100011214924 [0,1,0,0,0,0|2,0,0]=3 2642 B17R0.43 CCCCCCCCCNCCCCNC(=O)C 34a_200011368371_100011214924 [0,1,0,0,0,0|2,0,0]=3 2643 B17R0.43 CCCCCCCCCNCCCCOC(=O)C 34a_100000212291_100000033659 [0,1,0,0,0,0|2,0,0]=3 2644 B17R0.43 CCCCCCCCCNCCCCO[N+](=O)[O-] 34a_100000212291_100015694321 [0,1,0,0,0,0|3,0,0]=4 2645 B17R0.43 CCCCCCCCCNCCCCSC(=O)C 2230a_100000212291_200010402107 [0,1,0,0,0,0|2,0,0]=3 2646 B17R0.43 CCCCCCCCCNCCCCSC(=O)C 34a_100000212291_200010402107 [0,1,0,0,0,0|2,0,0]=3 2647 B17R0.43 CCCCCCCCCNCOCCOC(=O)C 34a_100000212291_100000076355 [0,1,0,0,0,0|3,0,0]=4 2648 B17R0.43 CCCCCCCCCOCCCCCB(O)O 34a_100000210712_200009817188 [0,1,0,0,0,0|2,0,1]=4 2649 B17R0.43 CCCCCCCCCOCCCCCB(O)O 7a_100000210712_200009817188 [0,1,0,0,0,0|2,0,1]=4 2650 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000123541_100011214924 [0,1,0,0,0,0|1,0,0]=2 2651 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 34a_100000210712_100009817443 [0,1,0,0,0,0|1,0,0]=2 2652 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210328 [0,1,0,0,0,0|1,0,0]=2 2653 B17R0.43 CCCCCCCCCOCCCCCC(=O)N 7a_100000210712_100009817443 [0,1,0,0,0,0|1,0,0]=2 2654 B17R0.43 CCCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210328 [0,1,0,0,0,0|1,0,0]=2 2655 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000073216_100011214924 [0,1,0,0,0,0|2,0,0]=3 2656 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 34a_100000210712_100000033659 [0,1,0,0,0,0|2,0,0]=3 2657 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210328 [0,1,0,0,0,0|2,0,0]=3 2658 B17R0.43 CCCCCCCCCOCCCCOC(=O)C 7a_100000210712_100000033659 [0,1,0,0,0,0|2,0,0]=3 2659 B17R0.43 CCCCCCCCCOCCCCO[N+](=O)[O-] 34a_100000210712_100015694321 [0,1,0,0,0,0|3,0,0]=4 2660 B17R0.43 CCCCCCCCCOCCCCO[N+](=O)[O-] 7a_100000210712_100015694321 [0,1,0,0,0,0|3,0,0]=4 2661 B17R0.43 CCCCCCCCCOCCCCSC(=O)C 34a_100000210712_200010402107 [0,1,0,0,0,0|2,0,0]=3 2662 B17R0.43 CCCCCCCCCOCCCCSC(=O)C 7a_100000210712_200010402107 [0,1,0,0,0,0|2,0,0]=3 2663 B17R0.43 CCCCCCCCCOCOCCOC(=O)C 34a_100000210712_100000076355 [0,1,0,0,0,0|3,0,0]=4 2664 B17R0.43 CCCCCCCCCSCCCCCB(O)O 62a_200009817188_100000210670 [0,1,0,0,0,0|2,0,1]=4 2665 B17R0.43 CCCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210670 [0,1,0,0,0,0|1,0,0]=2 2666 B17R0.43 CCCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210670 [0,1,0,0,0,0|2,0,0]=3 2667 B17R0.43 CCCCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210670 [0,1,0,0,0,0|3,0,0]=4 2668 B17R0.43 CCCCCCCCNCCCCCCB(O)O 2230a_100000229939_100009817187 [0,1,0,0,0,0|2,0,1]=4 2669 B17R0.43 CCCCCCCCNCCCCCCB(O)O 34a_100000229939_100009817187 [0,1,0,0,0,0|2,0,1]=4 2670 B17R0.43 CCCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210759 [0,1,0,0,0,0|2,0,0]=3 2671 B17R0.43 CCCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210759 [0,1,0,0,0,0|2,0,0]=3 2672 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 2230a_100000229939_100009813381 [0,1,0,0,0,0|2,0,0]=3 2673 B17R0.43 CCCCCCCCNCCCCCOC(=O)C 34a_100000229939_100000033007 [0,1,0,0,0,0|2,0,0]=3 2674 B17R0.43 CCCCCCCCNCCOCCOC(=O)C 2230a_100000229939_200000083610 [0,1,0,0,0,0|3,0,0]=4 2675 B17R0.43 CCCCCCCCNCCOCCOC(=O)C 34a_100000229939_200000083610 [0,1,0,0,0,0|3,0,0]=4 2676 B17R0.43 CCCCCCCCOCCCCCCB(O)O 34a_100000210232_100009817187 [0,1,0,0,0,0|2,0,1]=4 2677 B17R0.43 CCCCCCCCOCCCCCCB(O)O 7a_100000210232_100009817187 [0,1,0,0,0,0|2,0,1]=4 2678 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 34a_100000210232_100000033007 [0,1,0,0,0,0|2,0,0]=3 2679 B17R0.43 CCCCCCCCOCCCCCOC(=O)C 7a_100000210232_100000033007 [0,1,0,0,0,0|2,0,0]=3 2680 B17R0.43 CCCCCCCCOCCOCCOC(=O)C 34a_100000210232_200000083610 [0,1,0,0,0,0|3,0,0]=4 2681 B17R0.43 CCCCCCCCOCCOCCOC(=O)C 7a_100000210232_200000083610 [0,1,0,0,0,0|3,0,0]=4 2682 B17R0.43 CCCCCCCCSCCCCCCB(O)O 62a_100000210759_100009817187 [0,1,0,0,0,0|2,0,1]=4 2683 B17R0.43 CCCCCCCCSCCCCCCB(O)O 62a_100009817187_100000210317 [0,1,0,0,0,0|2,0,1]=4 2684 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210317 [0,1,0,0,0,0|2,0,0]=3 2685 B17R0.43 CCCCCCCCSCCCCCOC(=O)C 62a_100000210759_100000033007 [0,1,0,0,0,0|2,0,0]=3 2686 B17R0.43 CCCCCCCCSCCOCCOC(=O)C 62a_100000210759_200000083610 [0,1,0,0,0,0|3,0,0]=4 2687 B17R0.43 CCCCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210317 [0,1,0,0,0,0|3,0,0]=4 2688 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210681 [0,1,0,0,0,0|2,0,0]=3 2689 B17R0.43 CCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210614 [0,1,0,0,0,0|2,0,0]=3 2690 B17R0.43 CCCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210614 [0,1,0,0,0,0|3,0,0]=4 2691 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 34a_100000691444_100009817443 [0,1,0,0,0,0|2,0,0]=3 2692 B17R0.43 CCCCCCOCCOCCCCCC(=O)N 7a_100000691444_100009817443 [0,1,0,0,0,0|2,0,0]=3 2693 B17R0.43 CCCCCCOCCOCCCCOC(=O)C 34a_100000691444_100000033659 [0,1,0,0,0,0|3,0,0]=4 2694 B17R0.43 CCCCCCOCCOCCCCOC(=O)C 7a_100000691444_100000033659 [0,1,0,0,0,0|3,0,0]=4 2695 B17R0.43 CCCCCCOCCOCCCCSC(=O)C 34a_100000691444_200010402107 [0,1,0,0,0,0|3,0,0]=4 2696 B17R0.43 CCCCCCOCCOCCCCSC(=O)C 7a_100000691444_200010402107 [0,1,0,0,0,0|3,0,0]=4 2697 B17R0.43 CCCCCCOCCOCCOCCC(=O)C 7a_100000032842_100000053229 [0,1,0,0,0,0|3,0,0]=4 2698 B17R0.43 CCCCCCOCCOCCOCCC(=O)N 34a_100000032842_100000731001 [0,1,0,0,0,0|3,0,0]=4 2699 B17R0.43 CCCCCCOCCOCCOCCC(=O)N 7a_100000032842_100000744528 [0,1,0,0,0,0|3,0,0]=4 2700 B17R0.43 CCCCCNCCOCCCCCOC(=O)C 34a_100000224656_100000033007 [0,1,0,0,0,0|3,0,0]=4 2701 B17R0.43 CCCCCOCCOCCCCCOC(=O)C 34a_100011215259_100000033007 [0,1,0,0,0,0|3,0,0]=4 2702 B17R0.43 CCCCCOCCOCCCCCOC(=O)C 7a_100011215259_100000033007 [0,1,0,0,0,0|3,0,0]=4 2703 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 2230a_100000102301_200010167045 [0,1,0,0,0,0|1,0,0]=2 2704 B17R0.43 CCCCNCCCCCCCCCCC(=O)N 7a_106832991798_200010167045 [0,1,0,0,0,0|1,0,0]=2 2705 B17R0.43 CCCCNCCCCOCCCCCC(=O)N 34a_200011216965_100009817443 [0,1,0,0,0,0|2,0,0]=3 2706 B17R0.43 CCCCNCCCCOCCCCOC(=O)C 34a_200011216965_100000033659 [0,1,0,0,0,0|3,0,0]=4 2707 B17R0.43 CCCCNCCCCOCCCCSC(=O)C 34a_200011216965_200010402107 [0,1,0,0,0,0|3,0,0]=4 2708 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 34a_100000210227_200010167045 [0,1,0,0,0,0|1,0,0]=2 2709 B17R0.43 CCCCOCCCCCCCCCCC(=O)N 7a_100000210227_200010167045 [0,1,0,0,0,0|1,0,0]=2 2710 B17R0.43 CCCCOCCCCOCCCCCC(=O)N 34a_200000760531_100009817443 [0,1,0,0,0,0|2,0,0]=3 2711 B17R0.43 CCCCOCCCCOCCCCCC(=O)N 7a_200000760531_100009817443 [0,1,0,0,0,0|2,0,0]=3 2712 B17R0.43 CCCCOCCCCOCCCCOC(=O)C 34a_200000760531_100000033659 [0,1,0,0,0,0|3,0,0]=4 2713 B17R0.43 CCCCOCCCCOCCCCOC(=O)C 7a_200000760531_100000033659 [0,1,0,0,0,0|3,0,0]=4 2714 B17R0.43 CCCCOCCCCOCCCCSC(=O)C 34a_200000760531_200010402107 [0,1,0,0,0,0|3,0,0]=4 2715 B17R0.43 CCCCOCCCCOCCCCSC(=O)C 7a_200000760531_200010402107 [0,1,0,0,0,0|3,0,0]=4 2716 B17R0.43 CCCCOCCCNCCCCCOC(=O)C 2230a_200000211371_100009813381 [0,1,0,0,0,0|3,0,0]=4 2717 B17R0.43 CCCCOCCCNCCCCCOC(=O)C 34a_200000211371_100000033007 [0,1,0,0,0,0|3,0,0]=4 2718 B17R0.43 CCCCOCCCOCCCCCOC(=O)C 34a_200011215613_100000033007 [0,1,0,0,0,0|3,0,0]=4 2719 B17R0.43 CCCCOCCCOCCCCCOC(=O)C 7a_200011215613_100000033007 [0,1,0,0,0,0|3,0,0]=4 2720 B17R0.43 CCCCOCCNCCCCCCNC(=O)C 2230a_200011996284_100000743108 [0,1,0,0,0,0|3,0,0]=4 2721 B17R0.43 CCCCOCCNCCCCCCNC(=O)C 34a_200011996284_100000743108 [0,1,0,0,0,0|3,0,0]=4 2722 B17R0.43 CCCCOCCOCCOCCCCC(=O)C 34a_100011215186_100009817362 [0,1,0,0,0,0|3,0,0]=4 2723 B17R0.43 CCCCOCCOCCOCCCCC(=O)C 7a_100011215186_100000735457 [0,1,0,0,0,0|3,0,0]=4 2724 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_100000210211_200010167045 [0,1,0,0,0,0|1,0,0]=2 2725 B17R0.43 CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210210 [0,1,0,0,0,0|1,0,0]=2 2726 B17R0.43 CCCOCCOCCNCCCCCC(=O)N 2230a_200011904461_100009817443 [0,1,0,0,0,0|3,0,0]=4 2727 B17R0.43 CCCOCCOCCNCCCCCC(=O)N 34a_200011904461_100009817443 [0,1,0,0,0,0|3,0,0]=4 2728 B17R0.43 CCNCCCCCCCCCCCSC(=O)C 2230a_100015525214_100010140907 [0,1,0,0,0,0|2,0,0]=3 2729 B17R0.43 CCOCCCCCCCCCCCSC(=O)C 34a_100121572206_100010140907 [0,1,0,0,0,0|2,0,0]=3 2730 B17R0.43 CCOCCCCCCCCCOCCC(=O)C 7a_100009875440_100000053229 [0,1,0,0,0,0|2,0,0]=3 2731 B17R0.43 CCOCCCCCCCCCOCCC(=O)N 34a_100009875440_100000731001 [0,1,0,0,0,0|2,0,0]=3 2732 B17R0.43 CCOCCCCCCCCCOCCC(=O)N 7a_100009875440_100000744528 [0,1,0,0,0,0|2,0,0]=3 2733 B17R0.43 CCOCCCCCCCCCOCOC(=O)C 34a_100009875440_100009813279 [0,1,0,0,0,0|3,0,0]=4 2734 B17R0.43 CCOCSCCCCCCCCCCC(=O)N 62a_100000739092_200010167045 [0,1,0,0,0,0|2,0,0]=3 2735 B17R0.43 CCOCSCCCCCCCCCCC(=O)N 62a_200010167045_100000739092 [0,1,0,0,0,0|2,0,0]=3 2736 B17R0.43 CN(C)CCCCCCCCCCCCCCO 2230a_100102631434_100009828009 [0,1,0,0,0,0|1,0,2]=4 2737 B17R0.43 CN(C)CCCCCCCCCCCCCCO 269982a_100102631434_100009828009 [0,1,0,0,0,0|1,0,2]=4 2738 B17R0.43 COCCCCCCNCCCCCCC(C)C 2230a_100000211014_100011998445 [0,1,0,0,0,0|3,0,0]=4 2739 B17R0.43 COCCCCCCNCCCCCCC(C)C 34a_100000211014_100011998445 [0,1,0,0,0,0|3,0,0]=4 2740 B17R0.43 COCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100011998445 [0,1,0,0,0,0|3,0,0]=4 2741 B17R0.43 COCCCCCCNCCCCCNC(=O)C 34a_200012022750_100011998445 [0,1,0,0,0,0|3,0,0]=4 2742 B17R0.43 COCCCCCCOCCCCCOC(=O)C 34a_200012092642_100000033007 [0,1,0,0,0,0|3,0,0]=4 2743 B17R0.43 COCCCCCCOCCCCCOC(=O)C 7a_200012092642_100000033007 [0,1,0,0,0,0|3,0,0]=4 2744 B17R0.43 COCCCCCCSCCCCCOC(=O)C 62a_100000033007_100011998445 [0,1,0,0,0,0|3,0,0]=4 2745 B17R0.43 COCCCCCCSCCCCCOC(=O)C 62a_100011998445_100000033007 [0,1,0,0,0,0|3,0,0]=4 2746 B17R0.43 COCCCOCCCOCCCCCC(=O)N 34a_200011215475_100009817443 [0,1,0,0,0,0|3,0,0]=4 2747 B17R0.43 COCCCOCCCOCCCCCC(=O)N 7a_200011215475_100009817443 [0,1,0,0,0,0|3,0,0]=4 2748 B17R0.43 COCCNCCCCCCCCCCC(=O)N 2230a_100000209980_200010167045 [0,1,0,0,0,0|2,0,0]=3 2749 B17R0.43 COCCOCCCCCCCCCCC(=O)N 34a_100000210237_200010167045 [0,1,0,0,0,0|2,0,0]=3 2750 B17R0.43 COCCSCCCCCCCCCCC(=O)N 62a_100000233755_200010167045 [0,1,0,0,0,0|2,0,0]=3 2751 B17R0.43 COCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000233755 [0,1,0,0,0,0|2,0,0]=3 2752 B17R0.43 CS(=O)CCCNCCCCCCCCCCO 2230a_200000753449_100009813290 [0,1,0,0,0,0|3,0,0]=4 2753 B17R0.43 CSCCNCCCCCCCCCCC(=O)N 2230a_100020590264_200010167045 [0,1,0,0,0,0|2,0,0]=3 2754 B17R0.43 CSCCOCCCCCCCCCCC(=O)N 34a_100000230434_200010167045 [0,1,0,0,0,0|2,0,0]=3 2755 B17R0.43 CSCCOCCCCCCCCCCC(=O)N 7a_100000230434_200010167045 [0,1,0,0,0,0|2,0,0]=3 2756 B17R0.43 CSCCSCCCCCCCCCCC(=O)N 62a_100000212216_200010167045 [0,1,0,0,0,0|2,0,0]=3 2757 B17R0.43 CSCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000751147 [0,1,0,0,0,0|2,0,0]=3 2758 B17R0.43 C[C@@H](Cl)COCCCCCCCCCCCCO 34a_100016084084_100009813331 [0,1,0,0,0,0|1,0,2]=4 2759 B17R0.43 C[C@@H](N)CCOCCCCCCCCCCCO 34a_100000706166_100009812471 [0,1,0,0,0,0|1,0,2]=4 2760 B17R0.43 C[C@@H](N)COCCCCCCCCCCCCO 34a_100000737577_100009813331 [0,1,0,0,0,0|1,0,2]=4 2761 B17R0.43 C[C@@H](O)CNCCCCCCCCCCCCO 2230a_100000066677_100009817552 [0,1,0,0,0,0|1,0,2]=4 2762 B17R0.43 C[C@@H](O)CNCCCCCCCCCCCCO 34a_100000066677_100009817552 [0,1,0,0,0,0|1,0,2]=4 2763 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCBr 34a_100009813331_100009817552 [0,1,0,0,0,0|2,0,1]=4 2764 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCBr 7a_100009813331_100009817552 [0,1,0,0,0,0|2,0,1]=4 2765 B17R0.43 C[C@@H](O)COCCCCCCCCCCCCN 34a_100000066677_100009817552 [0,1,0,0,0,0|2,0,1]=4 2766 B17R0.43 C[C@@H](O)CSCCCCCCCCCCCCO 62a_100009813331_100009817552 [0,1,0,0,0,0|1,0,2]=4 2767 B17R0.43 N#CCCSCCCCCCCCCCC(=O)N 62a_100011215226_200010167045 [0,1,0,0,0,0|2,0,1]=4 2768 B17R0.43 N#CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100011215226 [0,1,0,0,0,0|2,0,1]=4 2769 B17R0.43 NC(=O)CCCCCCCCCCNCCCF 2230a_100015189416_200010167045 [0,1,0,0,0,0|2,0,0]=3 2770 B17R0.43 NC(=O)CCCCCCCCCCNCCCF 34a_100015189416_200010167045 [0,1,0,0,0,0|2,0,0]=3 2771 B17R0.43 NC(=O)CCCCCCCCCCOCCCBr 34a_100011217188_200010167045 [0,1,0,0,0,0|2,0,0]=3 2772 B17R0.43 NC(=O)CCCCCCCCCCOCCCCl 34a_100000230001_200010167045 [0,1,0,0,0,0|2,0,0]=3 2773 B17R0.43 NC(=O)CCCCCCCCCCOCCCF 34a_100000759539_200010167045 [0,1,0,0,0,0|2,0,0]=3 2774 B17R0.43 NC(=O)CCCCCCCCCCSCCCF 62a_100011934791_200010167045 [0,1,0,0,0,0|2,0,0]=3 2775 B17R0.43 NC(=O)CCCCCCCCCCSCCCF 62a_200010167045_100011934791 [0,1,0,0,0,0|2,0,0]=3 2776 B17R0.43 NC(=O)CCCCCCCCCCSCCCO 62a_100011215043_200010167045 [0,1,0,0,0,0|2,0,0]=3 2777 B17R0.43 NC(=O)CCCCCCCCCCSCCCO 62a_200010167045_100011215043 [0,1,0,0,0,0|2,0,0]=3 2778 B17R0.43 NC(=O)CCCCCNCCCCCCCCO 2230a_102515433106_100009817443 [0,1,0,0,0,0|2,0,0]=3 2779 B17R0.43 NC(=O)CCCCCNCCCCCCCCO 34a_102515433106_100009817443 [0,1,0,0,0,0|2,0,0]=3 2780 B17R0.43 NC(=O)CCCCCOCCCCCCCCBr 34a_100009813846_100009817443 [0,1,0,0,0,0|2,0,0]=3 2781 B17R0.43 NC(=O)CCCCCOCCCCCCCCBr 7a_100009813846_100009817443 [0,1,0,0,0,0|2,0,0]=3 2782 B17R0.43 NC(=O)CCCCCOCCCCCCCCCl 34a_100000033203_100009817443 [0,1,0,0,0,0|2,0,0]=3 2783 B17R0.43 NC(=O)CCCCCOCCCCCCCCCl 7a_100000033203_100009817443 [0,1,0,0,0,0|2,0,0]=3 2784 B17R0.43 NC(=O)CCCCCOCCCCCCCCO 34a_100000123541_100000033203 [0,1,0,0,0,0|2,0,0]=3 2785 B17R0.43 NC(=O)CCCCCOCCCCCCCCO 7a_100000123541_100000033203 [0,1,0,0,0,0|2,0,0]=3 2786 B17R0.43 NC(=O)CCCCCSCCCCCCCCO 62a_100000033203_100009817443 [0,1,0,0,0,0|2,0,0]=3 2787 B17R0.43 NC(=O)CCCCCSCCCCCCCCO 62a_100009817443_100000033203 [0,1,0,0,0,0|2,0,0]=3 2788 B17R0.43 NC(=O)CCCCNCCCCCCCCCO 34a_100000696515_100009813782 [0,1,0,0,0,0|2,0,0]=3 2789 B17R0.43 NC(=O)CCCCOCCCCCCCCCO 34a_100012022536_100009813782 [0,1,0,0,0,0|2,0,0]=3 2790 B17R0.43 NC(=O)CCCCOCCCCCCCCCO 7a_100012022536_100009813782 [0,1,0,0,0,0|2,0,0]=3 2791 B17R0.43 NC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100102525003 [0,1,0,0,0,0|2,0,0]=3 2792 B17R0.43 NC(=O)CCCNCCCCCCCCCCO 34a_100000739312_100009813290 [0,1,0,0,0,0|2,0,0]=3 2793 B17R0.43 NC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100102525003 [0,1,0,0,0,0|2,0,0]=3 2794 B17R0.43 NC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100102525003 [0,1,0,0,0,0|2,0,0]=3 2795 B17R0.43 NC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100102525003 [0,1,0,0,0,0|2,0,0]=3 2796 B17R0.43 NC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100102525003 [0,1,0,0,0,0|2,0,0]=3 2797 B17R0.43 NC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100102525003 [0,1,0,0,0,0|2,0,0]=3 2798 B17R0.43 NC(=O)CCCSCCCCCCCCCCO 62a_100102525003_200000033068 [0,1,0,0,0,0|2,0,0]=3 2799 B17R0.43 NC(=O)CCOCCCCCCCCCCCBr 34a_100009812471_100000731001 [0,1,0,0,0,0|2,0,0]=3 2800 B17R0.43 NC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000744528 [0,1,0,0,0,0|2,0,0]=3 2801 B17R0.43 NC(=O)CCOCCCCCCCCCCCO 34a_100000757172_100009812471 [0,1,0,0,0,0|2,0,0]=3 2802 B17R0.43 NC(=O)CCOCCCCCCCCCCCO 7a_100000757172_100009812471 [0,1,0,0,0,0|2,0,0]=3 2803 B17R0.43 NC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000744528 [0,1,0,0,0,0|2,0,0]=3 2804 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 2230a_100000066677_100000747473 [0,1,0,0,0,0|2,0,0]=3 2805 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 2230a_100000711301_100009813331 [0,1,0,0,0,0|2,0,0]=3 2806 B17R0.43 NC(=O)CNCCCCCCCCCCCCO 34a_100000066677_100000187820 [0,1,0,0,0,0|2,0,0]=3 2807 B17R0.43 NC(=O)CNCCCCCCOCCCCCO 2230a_100000711301_200132310570 [0,1,0,0,0,0|3,0,0]=4 2808 B17R0.43 NC(=O)COCCCCCCCCCCCCBr 34a_100009813331_100000187820 [0,1,0,0,0,0|2,0,0]=3 2809 B17R0.43 NC(=O)COCCCCCCCCCCCCBr 7a_100009813331_100000187820 [0,1,0,0,0,0|2,0,0]=3 2810 B17R0.43 NC(=O)COCCCCCOCCCCCCCl 34a_200132310570_100000187820 [0,1,0,0,0,0|3,0,0]=4 2811 B17R0.43 NC(=O)COCCCCCOCCCCCCCl 7a_200132310570_100000187820 [0,1,0,0,0,0|3,0,0]=4 2812 B17R0.43 NC(=O)COCCNCCCCCCCCCO 2230a_100000078944_100000076697 [0,1,0,0,0,0|3,0,0]=4 2813 B17R0.43 NC(=O)COCCNCCCCCCCCCO 34a_100000078944_100000076697 [0,1,0,0,0,0|3,0,0]=4 2814 B17R0.43 NC(=O)COCCOCCCCCCCCCBr 34a_100009813782_100000076697 [0,1,0,0,0,0|3,0,0]=4 2815 B17R0.43 NC(=O)COCCOCCCCCCCCCBr 7a_100009813782_100000076697 [0,1,0,0,0,0|3,0,0]=4 2816 B17R0.43 NC(=O)COCCOCCCCCCCCCCl 34a_100009868337_100000076697 [0,1,0,0,0,0|3,0,0]=4 2817 B17R0.43 NC(=O)COCCOCCCCCCCCCCl 7a_100009868337_100000076697 [0,1,0,0,0,0|3,0,0]=4 2818 B17R0.43 NC(=O)COCCSCCCCCCCCCO 62a_100000076697_100009813782 [0,1,0,0,0,0|3,0,0]=4 2819 B17R0.43 NC(=O)COCCSCCCCCCCCCO 62a_100009813782_100000076697 [0,1,0,0,0,0|3,0,0]=4 2820 B17R0.43 NC(=O)CSCCCCCCCCCCCCO 62a_100009813331_100000747473 [0,1,0,0,0,0|2,0,0]=3 2821 B17R0.43 NC(=O)CSCCCCCCOCCCCCO 62a_100000747473_200132310570 [0,1,0,0,0,0|3,0,0]=4 2822 B17R0.43 NC(=O)CSCCCCCCOCCCCCO 62a_200132310570_100000747473 [0,1,0,0,0,0|3,0,0]=4 2823 B17R0.43 NC(=O)NCCNCCCCCCCCCCO 2230a_100000066964_200000034859 [0,1,0,0,0,0|3,0,0]=4 2824 B17R0.43 NC(=O)NCCNCCCCCCCCCCO 34a_100020590234_100009813290 [0,1,0,0,0,0|3,0,0]=4 2825 B17R0.43 NC(=O)NCCOCCCCCCCCCCBr 7a_100009813290_200000034859 [0,1,0,0,0,0|3,0,0]=4 2826 B17R0.43 NC(=O)NCCOCCCCCCCCCCCl 7a_200000033068_200000034859 [0,1,0,0,0,0|3,0,0]=4 2827 B17R0.43 NC(=O)NCCOCCCCCCCCCCO 34a_100000181757_100009813290 [0,1,0,0,0,0|3,0,0]=4 2828 B17R0.43 NC(=O)NCCSCCCCCCCCCCO 62a_100009813290_200000034859 [0,1,0,0,0,0|3,0,0]=4 2829 B17R0.43 NC(=O)NCCSCCCCCCCCCCO 62a_200000034859_200000033068 [0,1,0,0,0,0|3,0,0]=4 2830 B17R0.43 NC(=O)OCCNCCCCCCCCCCO 34a_100000066964_200011214921 [0,1,0,0,0,0|3,0,0]=4 2831 B17R0.43 NC(=O)OCCOCCCCCCCCCCBr 34a_100009813290_200011214921 [0,1,0,0,0,0|3,0,0]=4 2832 B17R0.43 NC(=O)OCCOCCCCCCCCCCBr 7a_100009813290_200011214921 [0,1,0,0,0,0|3,0,0]=4 2833 B17R0.43 NC(=O)OCCOCCCCCCCCCCCl 34a_200000033068_200011214921 [0,1,0,0,0,0|3,0,0]=4 2834 B17R0.43 NC(=O)OCCOCCCCCCCCCCCl 7a_200000033068_200011214921 [0,1,0,0,0,0|3,0,0]=4 2835 B17R0.43 NC(=O)OCCOCCCCCCCCCCO 7a_100000766696_100009813290 [0,1,0,0,0,0|3,0,0]=4 2836 B17R0.43 NC(=O)OCCSCCCCCCCCCCO 62a_100009813290_200011214921 [0,1,0,0,0,0|3,0,0]=4 2837 B17R0.43 NC(=O)OCCSCCCCCCCCCCO 62a_200011214921_200000033068 [0,1,0,0,0,0|3,0,0]=4 2838 B17R0.43 NCCCCCCCCCCCCOCC(=O)N 34a_100000066677_100000187820 [0,1,0,0,0,0|2,0,0]=3 2839 B17R0.43 NCCCCCCCCCCCCOCC(=O)[O-] 34a_100000066677_100020667443 [0,1,0,0,0,0|2,0,0]=3 2840 B17R0.43 NCCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000066677_100000761209 [0,1,0,0,0,0|3,0,0]=4 2841 B17R0.43 NCCCCCCCCCCOCCCC(=O)N 34a_100000066964_100102525003 [0,1,0,0,0,0|2,0,0]=3 2842 B17R0.43 NCCCCCCCCCCOCCOC(=O)N 34a_100000066964_200011214921 [0,1,0,0,0,0|3,0,0]=4 2843 B17R0.43 NCCCCCCCCCOCCOCC(=O)N 34a_100000078944_100000076697 [0,1,0,0,0,0|3,0,0]=4 2844 B17R0.43 NCCCCCCCCOCCCCCC(=O)N 34a_102515433106_100009817443 [0,1,0,0,0,0|2,0,0]=3 2845 B17R0.43 NCCCOCCCCCCCCCCC(=O)N 34a_100000182051_200010167045 [0,1,0,0,0,0|2,0,0]=3 2846 B17R0.43 NCCNCCCCCOCCCCCC(=O)N 34a_103619048469_100009817443 [0,1,0,0,0,0|3,0,0]=4 2847 B17R0.43 NOCCOCCCCCCCCCCC(=O)N 34a_100000700252_200010167045 [0,1,0,0,0,0|3,0,0]=4 2848 B17R0.43 O=C(O)CNCCCCCCCCCCCCO 269956a_100016091260_100009813331 [0,1,0,0,0,0|2,0,0]=3 2849 B17R0.43 O=C(O)CNCCCCCCOCCCCCO 269956a_100016091260_200132310570 [0,1,0,0,0,0|3,0,0]=4 2850 B17R0.43 O=C(O)COCCNCCCCCCCCCO 269956a_100000700818_100009813782 [0,1,0,0,0,0|3,0,0]=4 2851 B17R0.43 O=C(O)CONCCCCCCCCCCCO 269956a_100000106656_100009812471 [0,1,0,0,0,0|3,0,0]=4 2852 B17R0.43 O=C([O-])CCCCCOCCCCCCCCO 7a_100102619762_100000033203 [0,1,0,0,0,0|2,0,0]=3 2853 B17R0.43 O=C([O-])CNCCCCCCCCCCCCO 34a_100000066677_100020667443 [0,1,0,0,0,0|2,0,0]=3 2854 B17R0.43 O=C([O-])COCCCCCCCCCCCCBr 34a_100009813331_100020667443 [0,1,0,0,0,0|2,0,0]=3 2855 B17R0.43 O=C([O-])COCCCCCOCCCCCCCl 34a_200132310570_100020667443 [0,1,0,0,0,0|3,0,0]=4 2856 B17R0.43 O=C([O-])CSCCCCCCCCCCCCO 62a_100009813331_100020667443 [0,1,0,0,0,0|2,0,0]=3 2857 B17R0.43 O=C([O-])CSCCCCCCOCCCCCO 62a_100020667443_200132310570 [0,1,0,0,0,0|3,0,0]=4 2858 B17R0.43 O=C([O-])CSCCCCCCOCCCCCO 62a_200132310570_100020667443 [0,1,0,0,0,0|3,0,0]=4 2859 B17R0.43 O=[N+]([O-])CCCCOCCCCCCCCCO 34a_200015379883_100009813782 [0,1,0,0,0,0|3,0,0]=4 2860 B17R0.43 O=[N+]([O-])CCCCOCCCCCCCCCO 7a_200015379883_100009813782 [0,1,0,0,0,0|3,0,0]=4 2861 B17R0.43 O=[N+]([O-])CCCOCCCCCCCCCCO 34a_200000037920_100009813290 [0,1,0,0,0,0|3,0,0]=4 2862 B17R0.43 O=[N+]([O-])CNCCCCCCCCCCCCO 34a_100000066677_100000761209 [0,1,0,0,0,0|3,0,0]=4 2863 B17R0.43 O=[N+]([O-])COCCCCCCCCCCCCBr 34a_100009813331_100000761209 [0,1,0,0,0,0|3,0,0]=4 2864 B17R0.43 O=[N+]([O-])CSCCCCCCCCCCCCO 62a_100009813331_100000761209 [0,1,0,0,0,0|3,0,0]=4 2865 B17R0.104 C#CCCCCCCN(C)CCCCCCCC 2230a_100000207567_100012276617 [0,1,0,0,0,0|2,0,1]=4 2866 B17R0.104 C#CCCCCCCN(C)CCCCCCCC 269982a_100000207567_100012276617 [0,1,0,0,0,0|2,0,1]=4 2867 B17R0.104 C=CCCCCCCC(=O)CCCCCCCO 1458a_100011219782_100011215473 [0,1,0,0,0,0|2,0,1]=4 2868 B17R0.104 C=CCCCCCCC(=O)CCCCCCCO 1458a_100011809334_100000760002 [0,1,0,0,0,0|2,0,1]=4 2869 B17R0.104 C=CCCCCCCC(=O)CCCCCCOC 1458a_100011809334_100011998445 [0,1,0,0,0,0|2,0,1]=4 2870 B17R0.104 C=CCCCCCCC(=O)NCCCCCCC 11a_100000229938_100011809334 [0,1,0,0,0,0|2,0,1]=4 2871 B17R0.104 C=CCCCCCCC(=O)NCCCCCCC 1626a_100000229938_100011809334 [0,1,0,0,0,0|2,0,1]=4 2872 B17R0.104 C=CCCCCCCC(=O)NCCCCCCC 240690a_100000229938_100011809334 [0,1,0,0,0,0|2,0,1]=4 2873 B17R0.104 C=CCCCCCCC(=O)NCCCCCCC 527a_100000229938_100011809334 [0,1,0,0,0,0|2,0,1]=4 2874 B17R0.104 C=COCCCNCC(C)CCCCCCCC 270004a_100000210767_100011995885 [0,1,0,0,0,0|3,0,0]=4 2875 B17R0.104 CCCCCCCCC(=O)CCCCCCCO 1458a_100000210188_100000760002 [0,1,0,0,0,0|0,0,3]=4 2876 B17R0.104 CCCCCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210759 [0,1,0,0,0,0|0,0,3]=4 2877 B17R0.104 CCCCCCCCC(=O)CCCCCCOC 1458a_100000210188_100011998445 [0,1,0,0,0,0|2,0,1]=4 2878 B17R0.104 CCCCCCCCC(C)CNCCCCC#N 270004a_100000751965_100011995885 [0,1,0,0,0,0|2,0,1]=4 2879 B17R0.104 CCCCCCCCC(C)CNCCCCCO 270004a_100000762737_100011995885 [0,1,0,0,0,0|1,0,2]=4 2880 B17R0.104 CCCCCCCCC(C)COCCCCC=O 7a_200012125181_100000139335 [0,1,0,0,0,0|1,0,0]=2 2881 B17R0.104 CCCCCCCCC(C)COCCCCCO 34a_200012125181_100000746330 [0,1,0,0,0,0|1,0,2]=4 2882 B17R0.104 CCCCCCCCC(C)COCCCCCO 7a_200012125181_100000746330 [0,1,0,0,0,0|1,0,2]=4 2883 B17R0.104 CCCCCCCCC(C)COCCCCOC 34a_200012125181_100000755781 [0,1,0,0,0,0|3,0,0]=4 2884 B17R0.104 CCCCCCCCC(C)COCCCCOC 7a_200012125181_100000730899 [0,1,0,0,0,0|3,0,0]=4 2885 B17R0.104 CCCCCCCCC(C)NCCCCCC#N 270004a_100000061152_100011216694 [0,1,0,0,0,0|2,0,1]=4 2886 B17R0.104 CCCCCCCCC(C)NCCCCCCO 270004a_100000686447_100011216694 [0,1,0,0,0,0|1,0,2]=4 2887 B17R0.104 CCCCCCCCC(C)NCCCCCOC 270004a_100000747528_100011216694 [0,1,0,0,0,0|3,0,0]=4 2888 B17R0.104 CCCCCCCCC(C)OCCCCCC=O 7a_100000210740_100000139337 [0,1,0,0,0,0|1,0,0]=2 2889 B17R0.104 CCCCCCCCC(C)OCCCCCCO 34a_100000210740_100000766143 [0,1,0,0,0,0|1,0,2]=4 2890 B17R0.104 CCCCCCCCC(C)OCCCCCCO 7a_100000210740_100000766143 [0,1,0,0,0,0|1,0,2]=4 2891 B17R0.104 CCCCCCCCN(C)CCCCCCC#N 2230a_100000207567_100009813337 [0,1,0,0,0,0|2,0,1]=4 2892 B17R0.104 CCCCCCCCN(C)CCCCCCC#N 269982a_100000207567_100009813337 [0,1,0,0,0,0|2,0,1]=4 2893 B17R0.104 CCCCCCCCN(C)CCCCCCCO 2230a_100000207567_100000760002 [0,1,0,0,0,0|1,0,2]=4 2894 B17R0.104 CCCCCCCCN(C)CCCCCCCO 269982a_100000207567_100000760002 [0,1,0,0,0,0|1,0,2]=4 2895 B17R0.104 CCCCCCCCN(C)CCCCCCOC 2230a_100000207567_100011998445 [0,1,0,0,0,0|3,0,0]=4 2896 B17R0.104 CCCCCCCCN(C)CCCCCCOC 269982a_100000207567_100011998445 [0,1,0,0,0,0|3,0,0]=4 2897 B17R0.117 C#CCCCCCCCCCCOCCCC=O 7a_100000054667_200011292268 [0,1,0,0,0,0|0,0,2]=3 2898 B17R0.117 C#CCCCCCCCCCCOCCCCF 34a_100000054667_100000729493 [0,1,0,0,0,0|2,0,1]=4 2899 B17R0.117 C#CCCCCCCCCCCOCCCCF 7a_100000054667_100000729493 [0,1,0,0,0,0|2,0,1]=4 2900 B17R0.117 C#CCCCCCCCCCCOCCCCO 34a_100000054667_100011216708 [0,1,0,0,0,0|2,0,1]=4 2901 B17R0.117 C#CCCCCCCCCCCOCCCCO 7a_100000054667_100000210776 [0,1,0,0,0,0|2,0,1]=4 2902 B17R0.117 C#CCCCCCCCCCCOCCCOC 34a_100000054667_100000740836 [0,1,0,0,0,0|2,0,1]=4 2903 B17R0.117 C#CCCCCCCCCCCOCCCOC 7a_100000054667_100000740836 [0,1,0,0,0,0|2,0,1]=4 2904 B17R0.117 C#CCCCCCCCCCCOCCOCC 34a_100000054667_100000210147 [0,1,0,0,0,0|2,0,1]=4 2905 B17R0.117 C#CCCCCCCCCCCOCCOCC 7a_100000054667_100011215890 [0,1,0,0,0,0|2,0,1]=4 2906 B17R0.117 C#CCCCCCCCCCCOCCSCC 34a_100000054667_100000757381 [0,1,0,0,0,0|2,0,1]=4 2907 B17R0.117 C#CCCCCCCCCCCOCCSCC 7a_100000054667_100000757381 [0,1,0,0,0,0|2,0,1]=4 2908 B17R0.117 C#CCCCCCCCCCOCCCCC=O 7a_100000034437_100000139335 [0,1,0,0,0,0|0,0,2]=3 2909 B17R0.117 C#CCCCCCCCCCOCCCCCF 34a_100000034437_100000729378 [0,1,0,0,0,0|2,0,1]=4 2910 B17R0.117 C#CCCCCCCCCCOCCCCCF 7a_100000034437_100000729378 [0,1,0,0,0,0|2,0,1]=4 2911 B17R0.117 C#CCCCCCCCCCOCCCCCO 34a_100000034437_100000746330 [0,1,0,0,0,0|2,0,1]=4 2912 B17R0.117 C#CCCCCCCCCCOCCCCCO 7a_100000034437_100000746330 [0,1,0,0,0,0|2,0,1]=4 2913 B17R0.117 C#CCCCCCCCCCOCCCCOC 34a_100000034437_100000755781 [0,1,0,0,0,0|2,0,1]=4 2914 B17R0.117 C#CCCCCCCCCCOCCCCOC 7a_100000034437_100000730899 [0,1,0,0,0,0|2,0,1]=4 2915 B17R0.117 C#CCCCCCCCCCOCCCOCC 34a_100000034437_100012232248 [0,1,0,0,0,0|2,0,1]=4 2916 B17R0.117 C#CCCCCCCCCCOCCCOCC 7a_100000034437_100012232248 [0,1,0,0,0,0|2,0,1]=4 2917 B17R0.117 C#CCCCCCCCCCOCCOCCC 34a_100000034437_100011215938 [0,1,0,0,0,0|2,0,1]=4 2918 B17R0.117 C#CCCCCCCCCCOCCOCCC 7a_100000034437_100011215938 [0,1,0,0,0,0|2,0,1]=4 2919 B17R0.117 C#CCCCCCCCCCOCOCCCC 34a_100000034437_100011995733 [0,1,0,0,0,0|2,0,1]=4 2920 B17R0.117 C#CCCCCCCCCOCCCCCC=O 7a_100000065265_100000139337 [0,1,0,0,0,0|0,0,2]=3 2921 B17R0.117 C#CCCCCCCCCOCCCCCCF 34a_100000065265_100015922095 [0,1,0,0,0,0|2,0,1]=4 2922 B17R0.117 C#CCCCCCCCCOCCCCCCF 7a_100000065265_100015922095 [0,1,0,0,0,0|2,0,1]=4 2923 B17R0.117 C#CCCCCCCCCOCCCCCCO 34a_100000065265_100000766143 [0,1,0,0,0,0|2,0,1]=4 2924 B17R0.117 C#CCCCCCCCCOCCCCCCO 7a_100000065265_100000766143 [0,1,0,0,0,0|2,0,1]=4 2925 B17R0.117 C#CCCCCCCCCOCCOCCCC 34a_100000065265_100000743108 [0,1,0,0,0,0|2,0,1]=4 2926 B17R0.117 C#CCCCCCCCCOCCOCCCC 7a_100000065265_100000743108 [0,1,0,0,0,0|2,0,1]=4 2927 B17R0.117 C#CCCCCCCCNCCCCCCCC 2230a_100000229939_100153394163 [0,1,0,0,0,0|1,0,1]=3 2928 B17R0.117 C#CCCCCCCCNCCCCCCCC 34a_100000229939_100153394163 [0,1,0,0,0,0|1,0,1]=3 2929 B17R0.117 C#CCCCCCCCNCCCCCCCO 2230a_100011996573_100153394163 [0,1,0,0,0,0|2,0,1]=4 2930 B17R0.117 C#CCCCCCCCNCCCCCCCO 34a_100011996573_100153394163 [0,1,0,0,0,0|2,0,1]=4 2931 B17R0.117 C#CCCCCCCCNCCCOCCCC 2230a_200000211371_100153394163 [0,1,0,0,0,0|2,0,1]=4 2932 B17R0.117 C#CCCCCCCCNCCCOCCCC 34a_200000211371_100153394163 [0,1,0,0,0,0|2,0,1]=4 2933 B17R0.117 C#CCCCCCCCOCCCCCCCN 34a_100011996573_100153394163 [0,1,0,0,0,0|2,0,1]=4 2934 B17R0.117 C#CCCCCCCCOCCCCCCCO 34a_100000054614_100000760002 [0,1,0,0,0,0|2,0,1]=4 2935 B17R0.117 C#CCCCCCCCOCCCCCCCO 7a_100000054614_100000760002 [0,1,0,0,0,0|2,0,1]=4 2936 B17R0.117 C#CCCCCCCCOCCCCCCOC 34a_100000054614_100011998445 [0,1,0,0,0,0|2,0,1]=4 2937 B17R0.117 C#CCCCCCCCOCCCCCCOC 34a_200012092642_100153394163 [0,1,0,0,0,0|2,0,1]=4 2938 B17R0.117 C#CCCCCCCCOCCCCCCOC 7a_100000054614_100011998445 [0,1,0,0,0,0|2,0,1]=4 2939 B17R0.117 C#CCCCCCCCOCCCCCCOC 7a_200012092642_100153394163 [0,1,0,0,0,0|2,0,1]=4 2940 B17R0.117 C#CCCCCCCCOCCCOCCCC 34a_200011215613_100153394163 [0,1,0,0,0,0|2,0,1]=4 2941 B17R0.117 C#CCCCCCCCOCCCOCCCC 7a_200011215613_100153394163 [0,1,0,0,0,0|2,0,1]=4 2942 B17R0.117 C#CCCCCCCCOCCNCCCCC 34a_100000224656_100153394163 [0,1,0,0,0,0|2,0,1]=4 2943 B17R0.117 C#CCCCCCCCOCCOCCCCC 34a_100011215259_100153394163 [0,1,0,0,0,0|2,0,1]=4 2944 B17R0.117 C#CCCCCCCCOCCOCCCCC 7a_100011215259_100153394163 [0,1,0,0,0,0|2,0,1]=4 2945 B17R0.117 C#CCCCCCCCSCCCCCCCO 62a_100000760002_100153394163 [0,1,0,0,0,0|2,0,1]=4 2946 B17R0.117 C#CCCCCCCCSCCCCCCCO 62a_100153394163_100000760002 [0,1,0,0,0,0|2,0,1]=4 2947 B17R0.117 C#CCCCCCCCSCCCCCCOC 62a_100011998445_100153394163 [0,1,0,0,0,0|2,0,1]=4 2948 B17R0.117 C#CCCCCCCCSCCCCCCOC 62a_100153394163_100011998445 [0,1,0,0,0,0|2,0,1]=4 2949 B17R0.117 C#CCCCCCCNCCCCCCCCC 2230a_100000212291_100012276617 [0,1,0,0,0,0|1,0,1]=3 2950 B17R0.117 C#CCCCCCCNCCCCCCCCC 34a_100000212291_100012276617 [0,1,0,0,0,0|1,0,1]=3 2951 B17R0.117 C#CCCCCCCNCCCCCCCCO 2230a_102515433106_100012276617 [0,1,0,0,0,0|2,0,1]=4 2952 B17R0.117 C#CCCCCCCNCCCCCCCCO 34a_102515433106_100012276617 [0,1,0,0,0,0|2,0,1]=4 2953 B17R0.117 C#CCCCCCCOCCCCCCCCN 34a_102515433106_100012276617 [0,1,0,0,0,0|2,0,1]=4 2954 B17R0.117 C#CCCCCCCOCCCCCCCCO 34a_100011217361_100000033203 [0,1,0,0,0,0|2,0,1]=4 2955 B17R0.117 C#CCCCCCCOCCCCCCCCO 7a_100011217361_100000033203 [0,1,0,0,0,0|2,0,1]=4 2956 B17R0.117 C#CCCCCCCOCCCCNCCCC 34a_200011216965_100012276617 [0,1,0,0,0,0|2,0,1]=4 2957 B17R0.117 C#CCCCCCCOCCCCOCCCC 34a_200000760531_100012276617 [0,1,0,0,0,0|2,0,1]=4 2958 B17R0.117 C#CCCCCCCOCCCCOCCCC 7a_200000760531_100012276617 [0,1,0,0,0,0|2,0,1]=4 2959 B17R0.117 C#CCCCCCCOCCOCCCCCC 34a_100000691444_100012276617 [0,1,0,0,0,0|2,0,1]=4 2960 B17R0.117 C#CCCCCCCOCCOCCCCCC 7a_100000691444_100012276617 [0,1,0,0,0,0|2,0,1]=4 2961 B17R0.117 C#CCCCCCCSCCCCCCCCO 62a_100000033203_100012276617 [0,1,0,0,0,0|2,0,1]=4 2962 B17R0.117 C#CCCCCCCSCCCCCCCCO 62a_100012276617_100000033203 [0,1,0,0,0,0|2,0,1]=4 2963 B17R0.117 C#CCCCCCNCCCCCCCCCC 2230a_100000684558_100012094781 [0,1,0,0,0,0|1,0,1]=3 2964 B17R0.117 C#CCCCCCNCCCCCCCCCC 34a_100000684558_100012094781 [0,1,0,0,0,0|1,0,1]=3 2965 B17R0.117 C#CCCCCCNCCCCCCCCCO 2230a_100000078944_100012094781 [0,1,0,0,0,0|2,0,1]=4 2966 B17R0.117 C#CCCCCCNCCCCCCCCCO 34a_100000078944_100012094781 [0,1,0,0,0,0|2,0,1]=4 2967 B17R0.117 C#CCCCCCOCCCCCCCCCN 34a_100000078944_100012094781 [0,1,0,0,0,0|2,0,1]=4 2968 B17R0.117 C#CCCCCCOCCCCCCCCCO 34a_100000766912_100009813782 [0,1,0,0,0,0|2,0,1]=4 2969 B17R0.117 C#CCCCCCOCCCCCCCCCO 7a_100000766912_100009813782 [0,1,0,0,0,0|2,0,1]=4 2970 B17R0.117 C#CCCCCCSCCCCCCCCCO 62a_100009813782_100012094781 [0,1,0,0,0,0|2,0,1]=4 2971 B17R0.117 C#CCCCCCSCCCCCCCCCO 62a_100012094781_100009813782 [0,1,0,0,0,0|2,0,1]=4 2972 B17R0.117 C#CCCCCNCCCCCCCCCC=C 2230a_100000081888_100010269958 [0,1,0,0,0,0|1,0,2]=4 2973 B17R0.117 C#CCCCCNCCCCCCCCCC=C 2230a_100000706060_100009814027 [0,1,0,0,0,0|1,0,2]=4 2974 B17R0.117 C#CCCCCNCCCCCCCCCC=C 34a_100000081888_100010269958 [0,1,0,0,0,0|1,0,2]=4 2975 B17R0.117 C#CCCCCNCCCCCCCCCC=C 34a_100000706060_100009814027 [0,1,0,0,0,0|1,0,2]=4 2976 B17R0.117 C#CCCCCNCCCCCCCCCCC 2230a_100000706060_100011215454 [0,1,0,0,0,0|1,0,1]=3 2977 B17R0.117 C#CCCCCNCCCCCCCCCCC 2230a_200011215754_100010269958 [0,1,0,0,0,0|1,0,1]=3 2978 B17R0.117 C#CCCCCNCCCCCCCCCCC 34a_100000706060_100011215454 [0,1,0,0,0,0|1,0,1]=3 2979 B17R0.117 C#CCCCCNCCCCCCCCCCC 34a_200011215754_100010269958 [0,1,0,0,0,0|1,0,1]=3 2980 B17R0.117 C#CCCCCNCCCCCCCCCCO 2230a_100000066964_100010269958 [0,1,0,0,0,0|2,0,1]=4 2981 B17R0.117 C#CCCCCNCCCCCCCCCCO 2230a_100000706060_100009813290 [0,1,0,0,0,0|2,0,1]=4 2982 B17R0.117 C#CCCCCNCCCCCCCCCCO 34a_100000066964_100010269958 [0,1,0,0,0,0|2,0,1]=4 2983 B17R0.117 C#CCCCCNCCCCCCCCCCO 34a_100000706060_100009813290 [0,1,0,0,0,0|2,0,1]=4 2984 B17R0.117 C#CCCCCOCCCCCCCCCCN 34a_100000066964_100010269958 [0,1,0,0,0,0|2,0,1]=4 2985 B17R0.117 C#CCCCCOCCCCCCCCCCO 34a_100000766709_100009813290 [0,1,0,0,0,0|2,0,1]=4 2986 B17R0.117 C#CCCCCOCCCCCCCCCCO 7a_100000766709_100009813290 [0,1,0,0,0,0|2,0,1]=4 2987 B17R0.117 C#CCCCCSCCCCCCCCCCO 62a_100009813290_100010269958 [0,1,0,0,0,0|2,0,1]=4 2988 B17R0.117 C#CCCCCSCCCCCCCCCCO 62a_100010269958_200000033068 [0,1,0,0,0,0|2,0,1]=4 2989 B17R0.117 C#CCCCNCCCCCCCCCCC=C 34a_100000718082_100011093070 [0,1,0,0,0,0|1,0,2]=4 2990 B17R0.117 C#CCCCNCCCCCCCCCCCC 2230a_100000210451_100000731252 [0,1,0,0,0,0|1,0,1]=3 2991 B17R0.117 C#CCCCNCCCCCCCCCCCC 270004a_100000718082_100011218549 [0,1,0,0,0,0|1,0,1]=3 2992 B17R0.117 C#CCCCNCCCCCCCCCCCC 34a_100000210451_100000695029 [0,1,0,0,0,0|1,0,1]=3 2993 B17R0.117 C#CCCCNCCCCCCCCCCCC 34a_100000718082_100000759014 [0,1,0,0,0,0|1,0,1]=3 2994 B17R0.117 C#CCCCNCCCCCCCCCCCO 34a_100000718082_100009812471 [0,1,0,0,0,0|2,0,1]=4 2995 B17R0.117 C#CCCCOCCCCCCCCCCCO 34a_100000215630_100009812471 [0,1,0,0,0,0|2,0,1]=4 2996 B17R0.117 C#CCCCOCCCCCCCCCCCO 7a_100000215630_100009812471 [0,1,0,0,0,0|2,0,1]=4 2997 B17R0.117 C#CCCCOCCCCCCCCCOCC 34a_100009875440_100000695029 [0,1,0,0,0,0|2,0,1]=4 2998 B17R0.117 C#CCCCOCCCCCCCCCOCC 7a_100009875440_100011215417 [0,1,0,0,0,0|2,0,1]=4 2999 B17R0.117 C#CCCCSCCCCCCCCCCCO 62a_100009812471_100011215417 [0,1,0,0,0,0|2,0,1]=4 3000 B17R0.117 C#CCCNCCCCCCCCCCCC=C 34a_100000755551_102130925996 [0,1,0,0,0,0|1,0,2]=4 3001 B17R0.117 C#CCCNCCCCCCCCCCCCC 2230a_100011215765_100000688953 [0,1,0,0,0,0|1,0,1]=3 3002 B17R0.117 C#CCCNCCCCCCCCCCCCC 34a_100000755551_100000210684 [0,1,0,0,0,0|1,0,1]=3 3003 B17R0.117 C#CCCNCCCCCCCCCCCCC 34a_100011215765_100000688953 [0,1,0,0,0,0|1,0,1]=3 3004 B17R0.117 C#CCCNCCCCCCCCCCCCO 2230a_100000066677_100000688953 [0,1,0,0,0,0|2,0,1]=4 3005 B17R0.117 C#CCCNCCCCCCCCCCCCO 34a_100000066677_100000688953 [0,1,0,0,0,0|2,0,1]=4 3006 B17R0.117 C#CCCNCCCCCCCCCCCCO 34a_100000755551_100009813331 [0,1,0,0,0,0|2,0,1]=4 3007 B17R0.117 C#CCCOCCCCCCCCCCCCN 34a_100000066677_100000688953 [0,1,0,0,0,0|2,0,1]=4 3008 B17R0.117 C#CCCOCCCCCCCCCCCCO 34a_100011215631_100009813331 [0,1,0,0,0,0|2,0,1]=4 3009 B17R0.117 C#CCCOCCSCCCCCCCCCC 34a_100011628728_100000688953 [0,1,0,0,0,0|2,0,1]=4 3010 B17R0.117 C#CCCOCCSCCCCCCCCCC 7a_100011628728_100000688953 [0,1,0,0,0,0|2,0,1]=4 3011 B17R0.117 C#CCCSCCCCCCCCCCCCO 62a_100009813331_100000688953 [0,1,0,0,0,0|2,0,1]=4 3012 B17R0.117 C#CCNCCCCCCCCCCCCCC 2230a_100011217771_100000038162 [0,1,0,0,0,0|1,0,1]=3 3013 B17R0.117 C#CCNCCCCCCCCCCCCCC 34a_100000212058_100011215471 [0,1,0,0,0,0|1,0,1]=3 3014 B17R0.117 C#CCNCCCCCCCCCCCCCC 34a_100011217771_100000184674 [0,1,0,0,0,0|1,0,1]=3 3015 B17R0.117 C#CCNCCCCCCCCCCCCCO 34a_100000212058_100009812470 [0,1,0,0,0,0|2,0,1]=4 3016 B17R0.117 C#CCOCCCCCCCCCCCCCO 34a_100000210247_100009812470 [0,1,0,0,0,0|2,0,1]=4 3017 B17R0.117 C#CCOCCCCCCOCCCCCC=O 7a_200011021349_100000139337 [0,1,0,0,0,0|1,0,2]=4 3018 B17R0.117 C#CCOCCCCCCOCCCCCCC 34a_200011021349_100000210614 [0,1,0,0,0,0|2,0,1]=4 3019 B17R0.117 C#CCOCCCCCCOCCCCCCC 7a_200011021349_100000210614 [0,1,0,0,0,0|2,0,1]=4 3020 B17R0.117 C#CCOCCNCCCCCCCCCCC 2230a_100000700922_100011215454 [0,1,0,0,0,0|2,0,1]=4 3021 B17R0.117 C#CCOCCNCCCCCCCCCCC 2230a_200011215754_100010402529 [0,1,0,0,0,0|2,0,1]=4 3022 B17R0.117 C#CCOCCNCCCCCCCCCCC 34a_100000700922_100011215454 [0,1,0,0,0,0|2,0,1]=4 3023 B17R0.117 C#CCOCCNCCCCCCCCCCC 34a_200011215754_100010402529 [0,1,0,0,0,0|2,0,1]=4 3024 B17R0.117 C#CCOCCOCCCCCCCCCCC 34a_100000054580_100011215454 [0,1,0,0,0,0|2,0,1]=4 3025 B17R0.117 C#CCOCCOCCCCCCCCCCC 34a_100000210809_100010402529 [0,1,0,0,0,0|2,0,1]=4 3026 B17R0.117 C#CCOCCOCCCCCCCCCCC 34a_100010166600_100000184674 [0,1,0,0,0,0|2,0,1]=4 3027 B17R0.117 C#CCOCCOCCCCCCCCCCC 7a_100000054580_100011215454 [0,1,0,0,0,0|2,0,1]=4 3028 B17R0.117 C#CCOCCOCCCCCCCCCCC 7a_100000210809_100010402529 [0,1,0,0,0,0|2,0,1]=4 3029 B17R0.117 C#CCOCCOCCCCCCCCCCC 7a_100010166600_100000038162 [0,1,0,0,0,0|2,0,1]=4 3030 B17R0.117 C#CCOCCSCCCCCCCCCCC 62a_100010402529_100011215454 [0,1,0,0,0,0|2,0,1]=4 3031 B17R0.117 C/C=C/CCOCCCCCCCCCCCO 34a_100016278192_100009812471 [0,1,0,0,0,0|2,0,1]=4 3032 B17R0.117 C/C=C/CNCCCCCCCCCCCCO 34a_100000066677_100102629194 [0,1,0,0,0,0|2,0,1]=4 3033 B17R0.117 C/C=C/COCCCCCCCCCCCCN 34a_100000066677_100102629194 [0,1,0,0,0,0|2,0,1]=4 3034 B17R0.117 C/C=C/COCCCCCCCCCCCCO 34a_100016270725_100009813331 [0,1,0,0,0,0|2,0,1]=4 3035 B17R0.117 C=CCCCCCCCCCCCNCC#CC 2230a_100000685387_102130925996 [0,1,0,0,0,0|1,0,2]=4 3036 B17R0.117 C=CCCCCCCCCCCCNCC#CC 34a_100000685387_102130925996 [0,1,0,0,0,0|1,0,2]=4 3037 B17R0.117 C=CCCCCCCCCCNCCCCC#N 2230a_100000081888_100000211819 [0,1,0,0,0,0|2,0,1]=4 3038 B17R0.117 C=CCCCNCCCCCCC#CCCCC 2230a_100000700776_200000043322 [0,1,0,0,0,0|1,0,2]=4 3039 B17R0.117 C=CCCCNCCCCCCC#CCCCC 34a_100000700776_200000043322 [0,1,0,0,0,0|1,0,2]=4 3040 B17R0.117 CC#CCNCCCCCCCCCCCCC 2230a_100000685387_100000210684 [0,1,0,0,0,0|1,0,2]=4 3041 B17R0.117 CC#CCNCCCCCCCCCCCCC 2230a_100011215765_100000748600 [0,1,0,0,0,0|1,0,2]=4 3042 B17R0.117 CC#CCNCCCCCCCCCCCCC 34a_100000685387_100000210684 [0,1,0,0,0,0|1,0,2]=4 3043 B17R0.117 CC#CCNCCCCCCCCCCCCC 34a_100011215765_100000748600 [0,1,0,0,0,0|1,0,2]=4 3044 B17R0.117 CC/C=C/CCCCCCCCCCOCC=O 34a_200025759790_200009817547 [0,1,0,0,0,0|0,0,2]=3 3045 B17R0.117 CC/C=C/CCCCCCCCCCOCC=O 7a_200025759790_200015260668 [0,1,0,0,0,0|0,0,2]=3 3046 B17R0.117 CC=CCCCOCCCCCCCCCCO 34a_100020645299_100009813290 [0,1,0,0,0,0|2,0,1]=4 3047 B17R0.117 CC=CCNCCCCCCCCCCCCO 2230a_100000066677_100000070051 [0,1,0,0,0,0|2,0,1]=4 3048 B17R0.117 CC=CCNCCCCCCCCCCCCO 34a_100000066677_100000070051 [0,1,0,0,0,0|2,0,1]=4 3049 B17R0.117 CC=CCOCCCCCCCCCCCCN 34a_100000066677_100000070051 [0,1,0,0,0,0|2,0,1]=4 3050 B17R0.117 CCC#CCCCCCCCCOCCCC=O 7a_200000031908_200011292268 [0,1,0,0,0,0|0,0,2]=3 3051 B17R0.117 CCC#CCCCCCCSCCCCCC=O 62a_100000139337_200000036426 [0,1,0,0,0,0|0,0,2]=3 3052 B17R0.117 CCC#CCCCCCCSCCCCCC=O 62a_200000036426_100000139337 [0,1,0,0,0,0|0,0,2]=3 3053 B17R0.117 CCCC/C=C/CCCCOCCCCCC=O 7a_200020645093_100000139337 [0,1,0,0,0,0|0,0,2]=3 3054 B17R0.117 CCCC/C=C\CCCCCCCCOCC=O 34a_100020587526_200009817547 [0,1,0,0,0,0|0,0,2]=3 3055 B17R0.117 CCCC/C=C\CCCCCCCCOCC=O 7a_100020587526_200015260668 [0,1,0,0,0,0|0,0,2]=3 3056 B17R0.117 CCCCC#CCCCCCCSCCCC=O 62a_200000043322_200011292268 [0,1,0,0,0,0|0,0,2]=3 3057 B17R0.117 CCCCC#CCCCCCCSCCCC=O 62a_200011292268_200000043322 [0,1,0,0,0,0|0,0,2]=3 3058 B17R0.117 CCCCC#CCCCCOCCCCCC=O 7a_200000066234_100000139337 [0,1,0,0,0,0|0,0,2]=3 3059 B17R0.117 CCCCC/C=C\CCCOCCCCCC=O 7a_100020655193_100000139337 [0,1,0,0,0,0|0,0,2]=3 3060 B17R0.117 CCCCCCC#CCCOCCCCCC=O 7a_200000033163_100000139337 [0,1,0,0,0,0|0,0,2]=3 3061 B17R0.117 CCCCCCCC#CCOCCCCCC=O 7a_200000061759_100000139337 [0,1,0,0,0,0|0,0,2]=3 3062 B17R0.117 CCCCCCCC/C=C/COCCCCC=O 7a_200020667288_100000139335 [0,1,0,0,0,0|0,0,2]=3 3063 B17R0.117 CCCCCCCCC/C=C/COCCCC=O 7a_100015232335_200011292268 [0,1,0,0,0,0|0,0,2]=3 3064 B17R0.117 CCCCCCCCCCCCCCNCC#N 2230a_100011217771_100011215382 [0,1,0,0,0,0|1,0,1]=3 3065 B17R0.117 CCCCCCCCCCCCCNCCC#N 2230a_100011215765_100011215226 [0,1,0,0,0,0|1,0,1]=3 3066 B17R0.117 CCCCCCCCCCCCCNCCC#N 270004a_100000720768_200011215488 [0,1,0,0,0,0|1,0,1]=3 3067 B17R0.117 CCCCCCCCCCCCNCCCC#N 2230a_100000210451_100000687738 [0,1,0,0,0,0|1,0,1]=3 3068 B17R0.117 CCCCCCCCCCCNCCCCC#N 2230a_200011215754_100000211819 [0,1,0,0,0,0|1,0,1]=3 3069 B17R0.117 CCCCCCCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100011215454 [0,1,0,0,0,0|3,0,0]=4 3070 B17R0.117 CCCCCCCCCCCNCCOCC#N 2230a_200011215754_200000047693 [0,1,0,0,0,0|2,0,1]=4 3071 B17R0.117 CCCCCCCCCCCOCCOCC#N 7a_100000210809_200000047693 [0,1,0,0,0,0|2,0,1]=4 3072 B17R0.117 CCCCCCCCCCCOCCOCC#N 7a_100010166600_100011215382 [0,1,0,0,0,0|2,0,1]=4 3073 B17R0.117 CCCCCCCCCCCSCCOCC#N 62a_200000047693_100011215454 [0,1,0,0,0,0|2,0,1]=4 3074 B17R0.117 CCCCCCCCCCNCCCCCC#N 2230a_100000684558_100009813376 [0,1,0,0,0,0|1,0,1]=3 3075 B17R0.117 CCCCCCCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210320 [0,1,0,0,0,0|3,0,0]=4 3076 B17R0.117 CCCCCCCCCCSCCOCCC#N 7a_100011628728_100000184422 [0,1,0,0,0,0|2,0,1]=4 3077 B17R0.117 CCCCCCCCCNCCCCCCC#N 2230a_100000212291_100009813337 [0,1,0,0,0,0|1,0,1]=3 3078 B17R0.117 CCCCCCCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210759 [0,1,0,0,0,0|3,0,0]=4 3079 B17R0.117 CCCCCCOCCOCCCCCCC#N 7a_100000691444_100009813337 [0,1,0,0,0,0|2,0,1]=4 3080 B17R0.117 CCCCOCCCCOCCCCCCC#N 7a_200000760531_100009813337 [0,1,0,0,0,0|2,0,1]=4 3081 B17R0.117 CCOCCCCCCCCCOCCCC#N 7a_100009875440_100000687738 [0,1,0,0,0,0|2,0,1]=4 3082 B17R0.117 N#CCCCCCCNCCCCCCCCO 2230a_102515433106_100009813337 [0,1,0,0,0,0|2,0,1]=4 3083 B17R0.117 N#CCCCCCCSCCCCCCCCO 62a_100000033203_100009813337 [0,1,0,0,0,0|2,0,1]=4 3084 B17R0.117 N#CCCCCCCSCCCCCCCCO 62a_100009813337_100000033203 [0,1,0,0,0,0|2,0,1]=4 3085 B17R0.117 N#CCCCCCNCCCCCCCCCO 2230a_100000078944_100009813376 [0,1,0,0,0,0|2,0,1]=4 3086 B17R0.117 N#CCCCCCSCCCCCCCCCO 62a_100009813376_100009813782 [0,1,0,0,0,0|2,0,1]=4 3087 B17R0.117 N#CCCCCCSCCCCCCCCCO 62a_100009813782_100009813376 [0,1,0,0,0,0|2,0,1]=4 3088 B17R0.117 N#CCCCCNCCCCCCCCCCO 2230a_100000066964_100000211819 [0,1,0,0,0,0|2,0,1]=4 3089 B17R0.117 N#CCCCCSCCCCCCCCCCO 62a_100009813290_100000211819 [0,1,0,0,0,0|2,0,1]=4 3090 B17R0.117 N#CCCCCSCCCCCCCCCCO 62a_100011219923_200000033068 [0,1,0,0,0,0|2,0,1]=4 3091 B17R0.117 N#CCCCSCCCCCCCCCCCO 62a_100009812471_100000687738 [0,1,0,0,0,0|2,0,1]=4 3092 B17R0.117 N#CCCNCCCCCCCCCCCCO 2230a_100000066677_100011215226 [0,1,0,0,0,0|2,0,1]=4 3093 B17R0.117 N#CCCSCCCCCCCCCCCCO 62a_100009813331_100011215226 [0,1,0,0,0,0|2,0,1]=4 3094 B17R0.117 N#CCSCCCCCCCCCCCCCO 62a_100009812470_100011215382 [0,1,0,0,0,0|2,0,1]=4 3095 B17R0.195 C#CC(C)NCCCCCCCCCCCCC 2230a_100000707721_100000210684 [0,1,0,0,0,0|2,0,1]=4 3096 B17R0.195 C#CC(C)NCCCCCCCCCCCCC 270004a_100000707721_200011215488 [0,1,0,0,0,0|2,0,1]=4 3097 B17R0.195 C#CC(C)NCCCCCCCCCCCCC 34a_100000707721_100000210684 [0,1,0,0,0,0|2,0,1]=4 3098 B17R0.195 C#CC(C)NCCCCCCCCCCCCC 34a_100011215765_200000035995 [0,1,0,0,0,0|2,0,1]=4 3099 B17R0.195 C#CC(O)CCCCCNCCCCCCCC 2230a_100000229939_200010408556 [0,1,0,0,0,0|2,0,1]=4 3100 B17R0.195 C#CC(O)CCCCCNCCCCCCCC 34a_100000229939_200010408556 [0,1,0,0,0,0|2,0,1]=4 3101 B17R0.195 C#CC(O)CCCCCOCCCCCCCC 34a_100000210232_200010408556 [0,1,0,0,0,0|2,0,1]=4 3102 B17R0.195 C#CC(O)CCCCCOCCCCCCCC 7a_100000210232_200010408556 [0,1,0,0,0,0|2,0,1]=4 3103 B17R0.195 C#CC(O)CCCCCSCCCCCCCC 62a_100000210759_200010408556 [0,1,0,0,0,0|2,0,1]=4 3104 B17R0.195 C#CC(O)CCCCCSCCCCCCCC 62a_200010408556_100000210317 [0,1,0,0,0,0|2,0,1]=4 3105 B17R0.195 C#CCCCCCCCCCCOCC(O)CC 34a_100000054667_100011218378 [0,1,0,0,0,0|2,0,1]=4 3106 B17R0.195 C#CCCCCCCCCCCOCC(O)CC 7a_100000054667_100011218378 [0,1,0,0,0,0|2,0,1]=4 3107 B17R0.195 C=CC(=O)CCCCCCCCCCCCCO 1458a_100000185746_100009812470 [0,1,0,0,0,0|2,0,1]=4 3108 B17R0.195 C=CC(=O)NCCCCCCCCCCCCC 1626a_100011215765_100000185746 [0,1,0,0,0,0|2,0,1]=4 3109 B17R0.195 C=CC(=O)NCCCCCCCCCCCCC 240690a_100011215765_200121576911 [0,1,0,0,0,0|2,0,1]=4 3110 B17R0.195 C=CC(C)COCCCCCCCCCCCO 34a_100011215527_100009812471 [0,1,0,0,0,0|3,0,0]=4 3111 B17R0.195 C=CC(C)COCCCCCCCCCCCO 7a_100011215527_100009812471 [0,1,0,0,0,0|3,0,0]=4 3112 B17R0.195 C=CC(C)OCCCCCCCCCCCCO 34a_100000695699_100009813331 [0,1,0,0,0,0|3,0,0]=4 3113 B17R0.195 C=CC(O)CNCCCCCCCCCCCC 2230a_100000210451_100000730141 [0,1,0,0,0,0|2,0,0]=3 3114 B17R0.195 C=CC(O)CNCCCCCCCCCCCC 34a_100000210451_100000730141 [0,1,0,0,0,0|2,0,0]=3 3115 B17R0.195 C=CC(O)COCCCCCCCCCCCBr 34a_100009812471_100000730141 [0,1,0,0,0,0|3,0,0]=4 3116 B17R0.195 C=CC(O)COCCCCCCCCCCCBr 7a_100009812471_100000730141 [0,1,0,0,0,0|3,0,0]=4 3117 B17R0.195 C=CC(O)COCCCCCCCCCCCC 34a_100000210810_100000730141 [0,1,0,0,0,0|2,0,0]=3 3118 B17R0.195 C=CC(O)COCCCCCCCCCCCC 7a_100000210810_100000730141 [0,1,0,0,0,0|2,0,0]=3 3119 B17R0.195 C=CC(O)COCCCCCCCCCOCC 34a_100009875440_100000730141 [0,1,0,0,0,0|3,0,0]=4 3120 B17R0.195 C=CC(O)COCCCCCCCCCOCC 7a_100009875440_100000730141 [0,1,0,0,0,0|3,0,0]=4 3121 B17R0.195 C=CC(O)CSCCCCCCCCCCCO 62a_100009812471_100000730141 [0,1,0,0,0,0|3,0,0]=4 3122 B17R0.195 C=CCCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_102130925996 [0,1,0,0,0,0|3,0,0]=4 3123 B17R0.195 C=CCCCCCCCCCCCOC(C)CN 34a_100000210904_102130925996 [0,1,0,0,0,0|3,0,0]=4 3124 B17R0.195 C=CCCCCCCCCCCNCC(C)CO 34a_100000744482_100011093070 [0,1,0,0,0,0|3,0,0]=4 3125 B17R0.195 C=CCCCCCCCCCCNCC(O)CC 2230a_100011218483_100011093070 [0,1,0,0,0,0|2,0,0]=3 3126 B17R0.195 C=CCCCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011093070 [0,1,0,0,0,0|3,0,0]=4 3127 B17R0.195 C=CCCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011093070 [0,1,0,0,0,0|3,0,0]=4 3128 B17R0.195 C=CCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011093070 [0,1,0,0,0,0|3,0,0]=4 3129 B17R0.195 C=CCCCCCCCCCCOCC(=O)CC 34a_100000725409_100011093070 [0,1,0,0,0,0|2,0,1]=4 3130 B17R0.195 C=CCCCCCCCCCCOCC(C)CN 34a_100000744482_100011093070 [0,1,0,0,0,0|3,0,0]=4 3131 B17R0.195 C=CCCCCCCCCCCOCC(C)OC 34a_100000690652_100011093070 [0,1,0,0,0,0|3,0,0]=4 3132 B17R0.195 C=CCCCCCCCCCCOC[C@H](F)CN 34a_100015665980_100011093070 [0,1,0,0,0,0|3,0,0]=4 3133 B17R0.195 C=CCCCCCCCCCCSCC(O)CO 62a_100011093070_100011219619 [0,1,0,0,0,0|3,0,0]=4 3134 B17R0.195 C=CCCCCCCCCCCSCC(O)CO 62a_100011219619_100011093070 [0,1,0,0,0,0|3,0,0]=4 3135 B17R0.195 C=CCCCCCCCCCCSC[C@@H](O)CF 62a_100011093070_100015614560 [0,1,0,0,0,0|3,0,0]=4 3136 B17R0.195 C=CCCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100011093070 [0,1,0,0,0,0|3,0,0]=4 3137 B17R0.195 C=CCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100011093070 [0,1,0,0,0,0|3,0,0]=4 3138 B17R0.195 C=CCCCCCCCCCCSC[C@@H](O)CO 62a_100011093070_100009815848 [0,1,0,0,0,0|3,0,0]=4 3139 B17R0.195 C=CCCCCCCCCCNCCC(C)CO 2230a_106354213184_100009814027 [0,1,0,0,0,0|3,0,0]=4 3140 B17R0.195 C=CCCCCCCCCCNCCC(C)CO 34a_106354213184_100009814027 [0,1,0,0,0,0|3,0,0]=4 3141 B17R0.195 C=CCCCCCCCCCOCCC(C)OC 7a_100000764861_100009814027 [0,1,0,0,0,0|3,0,0]=4 3142 B17R0.195 C=CCCCCCCCCOCCCN(C)CC 7a_100011215194_100015186262 [0,1,0,0,0,0|3,0,0]=4 3143 B17R0.195 C=CCCCCCCCCOCCC[C@@H](C)CN 34a_100160569302_100011933949 [0,1,0,0,0,0|3,0,0]=4 3144 B17R0.195 C=CCCCCCCCCSCCCN(C)CC 62a_100011933949_100015186262 [0,1,0,0,0,0|3,0,0]=4 3145 B17R0.195 C=C[C@H](N)COCCCCCCCCCCCC 34a_100016989147_100000759014 [0,1,0,0,0,0|2,0,0]=3 3146 B17R0.195 C=C[C@H](N)COCCCCCCCCCCCO 34a_100016989147_100009812471 [0,1,0,0,0,0|3,0,0]=4 3147 B17R0.195 CCC(=O)CCCCCCCCCCCCCO 1458a_100000210414_100009812470 [0,1,0,0,0,0|0,0,3]=4 3148 B17R0.195 CCC(C)CCCCCOCCCCCCCO 7a_200000035636_100000760002 [0,1,0,0,0,0|1,0,2]=4 3149 B17R0.195 CCC(C)CCCCCOCCCCCCOC 7a_200000035636_100011998445 [0,1,0,0,0,0|3,0,0]=4 3150 B17R0.195 CCC(C)CCCOCCCCCCCCCO 7a_100011216074_100009813782 [0,1,0,0,0,0|1,0,2]=4 3151 B17R0.195 CCC(C)CCNCCCCCCCCCCO 2230a_100020591266_100009813290 [0,1,0,0,0,0|1,0,2]=4 3152 B17R0.195 CCC(C)CCOCCCCCCCCCCO 7a_100011215188_100009813290 [0,1,0,0,0,0|1,0,2]=4 3153 B17R0.195 CCC(C)CNCCCCCCCCCCCO 2230a_100020588543_100009812471 [0,1,0,0,0,0|1,0,2]=4 3154 B17R0.195 CCC(C)NCCCCCCCCCCCCO 2230a_100000066677_100000758301 [0,1,0,0,0,0|1,0,2]=4 3155 B17R0.195 CCC(C)NCCCCCCCCCCCCO 2230a_100000209981_100009813331 [0,1,0,0,0,0|1,0,2]=4 3156 B17R0.195 CCC(C)NCCCCCCCCCCCCO 34a_100000066677_100011215416 [0,1,0,0,0,0|1,0,2]=4 3157 B17R0.195 CCC(C)OCCCCCCCCCCCCN 34a_100000066677_100011215416 [0,1,0,0,0,0|2,0,1]=4 3158 B17R0.195 CCC(C)OCCCCCCCCCCCCO 7a_100000210228_100009813331 [0,1,0,0,0,0|1,0,2]=4 3159 B17R0.195 CCC(O)CNCCCCCCCCCCCO 2230a_100011218483_100009812471 [0,1,0,0,0,0|1,0,2]=4 3160 B17R0.195 CCC(O)COCCCCCCCCCCCBr 34a_100009812471_100011218378 [0,1,0,0,0,0|2,0,1]=4 3161 B17R0.195 CCC(O)COCCCCCCCCCCCBr 7a_100009812471_100011218378 [0,1,0,0,0,0|2,0,1]=4 3162 B17R0.195 CCC(O)CSCCCCCCCCCCCO 62a_100009812471_100011218378 [0,1,0,0,0,0|1,0,2]=4 3163 B17R0.195 CCCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215471 [0,1,0,0,0,0|0,0,3]=4 3164 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 11a_106832991635_100000297455 [0,1,0,0,0,0|2,0,1]=4 3165 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 1626a_100102657272_100000297455 [0,1,0,0,0,0|2,0,1]=4 3166 B17R0.195 CCCCCCCCCCCCCCC(=O)NC 240690a_100102657272_100000297455 [0,1,0,0,0,0|2,0,1]=4 3167 B17R0.195 CCCCCCCCCCCCCNC(C)C#N 2230a_100000737613_100000210684 [0,1,0,0,0,0|2,0,1]=4 3168 B17R0.195 CCCCCCCCCCCCCNC(C)C#N 2230a_100011215765_100000184139 [0,1,0,0,0,0|2,0,1]=4 3169 B17R0.195 CCCCCCCCCCCCCNC(C)CO 2230a_100011215765_100012180447 [0,1,0,0,0,0|1,0,2]=4 3170 B17R0.195 CCCCCCCCCCCCCNC(C)CO 34a_100011215765_100012180447 [0,1,0,0,0,0|1,0,2]=4 3171 B17R0.195 CCCCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210684 [0,1,0,0,0,0|1,0,2]=4 3172 B17R0.195 CCCCCCCCCCCCCN[C@H](C)CO 270004a_100000737577_200011215488 [0,1,0,0,0,0|1,0,2]=4 3173 B17R0.195 CCCCCCCCCCCCCOC(C)CN 34a_100000210904_100000210684 [0,1,0,0,0,0|2,0,1]=4 3174 B17R0.195 CCCCCCCCCCCCCOC(C)CO 34a_100000185773_100012180447 [0,1,0,0,0,0|1,0,2]=4 3175 B17R0.195 CCCCCCCCCCCCCOC(C)CO 7a_100000185773_100012180447 [0,1,0,0,0,0|1,0,2]=4 3176 B17R0.195 CCCCCCCCCCCCNCC(C)CO 34a_100000744482_100000759014 [0,1,0,0,0,0|1,0,2]=4 3177 B17R0.195 CCCCCCCCCCCCNCC(O)CC 2230a_100000210451_100011218378 [0,1,0,0,0,0|2,0,1]=4 3178 B17R0.195 CCCCCCCCCCCCNCC(O)CC 2230a_100011218483_100011215052 [0,1,0,0,0,0|2,0,1]=4 3179 B17R0.195 CCCCCCCCCCCCNCC(O)CC 270004a_100011218483_100011218549 [0,1,0,0,0,0|2,0,1]=4 3180 B17R0.195 CCCCCCCCCCCCNCC(O)CC 34a_100000210451_100011218378 [0,1,0,0,0,0|2,0,1]=4 3181 B17R0.195 CCCCCCCCCCCCNCC(O)CO 2230a_100000210451_100011219619 [0,1,0,0,0,0|1,0,2]=4 3182 B17R0.195 CCCCCCCCCCCCNCC(O)CO 34a_100000210451_100011219619 [0,1,0,0,0,0|1,0,2]=4 3183 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)CO 2230a_100000210451_100000059175 [0,1,0,0,0,0|1,0,2]=4 3184 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)CO 34a_100000210451_100000059175 [0,1,0,0,0,0|1,0,2]=4 3185 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011215052 [0,1,0,0,0,0|3,0,0]=4 3186 B17R0.195 CCCCCCCCCCCCNC[C@@H](C)OC 270004a_100020591295_100011218549 [0,1,0,0,0,0|3,0,0]=4 3187 B17R0.195 CCCCCCCCCCCCNC[C@@H](F)CO 270004a_100015665980_100011218549 [0,1,0,0,0,0|1,0,2]=4 3188 B17R0.195 CCCCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000759014 [0,1,0,0,0,0|1,0,2]=4 3189 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CF 2230a_100000210451_100015614560 [0,1,0,0,0,0|2,0,1]=4 3190 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CF 34a_100000210451_100015614560 [0,1,0,0,0,0|2,0,1]=4 3191 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CO 2230a_100000210451_100009815848 [0,1,0,0,0,0|1,0,2]=4 3192 B17R0.195 CCCCCCCCCCCCNC[C@@H](O)CO 34a_100000210451_100009815848 [0,1,0,0,0,0|1,0,2]=4 3193 B17R0.195 CCCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215052 [0,1,0,0,0,0|1,0,2]=4 3194 B17R0.195 CCCCCCCCCCCCOCC(C)CN 34a_100000744482_100000759014 [0,1,0,0,0,0|2,0,1]=4 3195 B17R0.195 CCCCCCCCCCCCOCC(C)OC 34a_100000690652_100000759014 [0,1,0,0,0,0|3,0,0]=4 3196 B17R0.195 CCCCCCCCCCCCOCC(O)CC 34a_100000210810_100011218378 [0,1,0,0,0,0|2,0,1]=4 3197 B17R0.195 CCCCCCCCCCCCOCC(O)CC 7a_100000210810_100011218378 [0,1,0,0,0,0|2,0,1]=4 3198 B17R0.195 CCCCCCCCCCCCOCC(O)CO 34a_100000210810_100011219619 [0,1,0,0,0,0|1,0,2]=4 3199 B17R0.195 CCCCCCCCCCCCOCC(O)CO 7a_100000210810_100011219619 [0,1,0,0,0,0|1,0,2]=4 3200 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 34a_100000210810_100000059175 [0,1,0,0,0,0|1,0,2]=4 3201 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CO 7a_100000210810_100000059175 [0,1,0,0,0,0|1,0,2]=4 3202 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CF 34a_100000210810_100015614560 [0,1,0,0,0,0|2,0,1]=4 3203 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CF 7a_100000210810_100015614560 [0,1,0,0,0,0|2,0,1]=4 3204 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 34a_100000210810_100009815848 [0,1,0,0,0,0|1,0,2]=4 3205 B17R0.195 CCCCCCCCCCCCOC[C@@H](O)CO 7a_100000210810_100009815848 [0,1,0,0,0,0|1,0,2]=4 3206 B17R0.195 CCCCCCCCCCCCOC[C@H](F)CN 34a_100015665980_100000759014 [0,1,0,0,0,0|2,0,1]=4 3207 B17R0.195 CCCCCCCCCCCCSCC(O)CO 62a_100011219619_100000759014 [0,1,0,0,0,0|1,0,2]=4 3208 B17R0.195 CCCCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000759014 [0,1,0,0,0,0|2,0,1]=4 3209 B17R0.195 CCCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000759014 [0,1,0,0,0,0|1,0,2]=4 3210 B17R0.195 CCCCCCCCCCCNCCC(C)CO 2230a_106354213184_100011215454 [0,1,0,0,0,0|1,0,2]=4 3211 B17R0.195 CCCCCCCCCCCNCCC(C)CO 34a_106354213184_100011215454 [0,1,0,0,0,0|1,0,2]=4 3212 B17R0.195 CCCCCCCCCCCOCCC(C)OC 7a_100000764861_100011215454 [0,1,0,0,0,0|3,0,0]=4 3213 B17R0.195 CCCCCCCCCCOCCC[C@@H](C)CN 34a_100160569302_100000210320 [0,1,0,0,0,0|2,0,1]=4 3214 B17R0.195 CCN(C)CCCCCCCCCCCCCO 2230a_100000225621_100009812470 [0,1,0,0,0,0|1,0,2]=4 3215 B17R0.195 CCN(C)CCCCCCCCCCCCCO 269982a_100000225621_100009812470 [0,1,0,0,0,0|1,0,2]=4 3216 B17R0.195 CC[C@H](C)COCCCCCCCCCCCO 7a_100009816381_100009812471 [0,1,0,0,0,0|1,0,2]=4 3217 B17R0.195 COC(=O)CCCCCCCCCCOCC=O 34a_100011003013_200009817547 [0,1,0,0,0,0|2,0,1]=4 3218 B17R0.195 COC(=O)CCCCCCCCCCOCC=O 7a_100011003013_200015260668 [0,1,0,0,0,0|2,0,1]=4 3219 B17R0.195 COC(=O)CCCCCCCCCCSCC=O 62a_200015260668_100009812566 [0,1,0,0,0,0|2,0,1]=4 3220 B17R0.195 COC(=O)CCCCCCCCOCCCC=O 7a_100000035544_200011292268 [0,1,0,0,0,0|2,0,1]=4 3221 B17R0.195 COC(=O)CCCCCCCCSCCCC=O 62a_100010282707_200011292268 [0,1,0,0,0,0|2,0,1]=4 3222 B17R0.195 COC(=O)CCCCCCCCSCCCC=O 62a_200011292268_100010282707 [0,1,0,0,0,0|2,0,1]=4 3223 B17R0.195 COC(=O)CCCCCCCOCCCCC=O 7a_100011022521_100000139335 [0,1,0,0,0,0|2,0,1]=4 3224 B17R0.195 COC(=O)CCCCCCCSCCCCC=O 62a_100000139335_100010004213 [0,1,0,0,0,0|2,0,1]=4 3225 B17R0.195 COC(=O)CCCCCCCSCCCCC=O 62a_100010004213_100000139335 [0,1,0,0,0,0|2,0,1]=4 3226 B17R0.195 COC(=O)CCCCCCOCCCCCC=O 7a_100009863599_100000139337 [0,1,0,0,0,0|2,0,1]=4 3227 B17R0.195 COC(=O)CCCCCCSCCCCCC=O 62a_100000139337_100009815986 [0,1,0,0,0,0|2,0,1]=4 3228 B17R0.195 COC(=O)CCCCCCSCCCCCC=O 62a_100009815986_100000139337 [0,1,0,0,0,0|2,0,1]=4 3229 B17R0.196 C#CCCN(C)CCCCCCCCCCCC 2230a_100000227908_100000688953 [0,1,0,0,0,0|2,0,1]=4 3230 B17R0.196 C#CCCN(C)CCCCCCCCCCCC 269982a_100000227908_100000730999 [0,1,0,0,0,0|2,0,1]=4 3231 B17R0.196 C#CCNC(C)CCCCCCCCCCCC 34a_100000212058_200011217028 [0,1,0,0,0,0|2,0,1]=4 3232 B17R0.196 C=CCCC(=O)CCCCCCCCCCCO 1458a_100000749702_100009812471 [0,1,0,0,0,0|2,0,1]=4 3233 B17R0.196 C=CCCC(=O)NCCCCCCCCCCC 11a_200011215754_100000749702 [0,1,0,0,0,0|2,0,1]=4 3234 B17R0.196 C=CCCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000749702 [0,1,0,0,0,0|2,0,1]=4 3235 B17R0.196 C=CCCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000749702 [0,1,0,0,0,0|2,0,1]=4 3236 B17R0.196 C=CCCC(=O)NCCCCCCCCCCC 527a_200011215754_100000749702 [0,1,0,0,0,0|2,0,1]=4 3237 B17R0.196 C=CCCC(C)NCCCCCCCCCCO 270004a_100000066964_100000762624 [0,1,0,0,0,0|3,0,0]=4 3238 B17R0.196 C=CCCC(C)OCCCCCCCCCCO 34a_100000765329_100009813290 [0,1,0,0,0,0|3,0,0]=4 3239 B17R0.196 C=CCCC(C)OCCCCCCCCCCO 7a_100000765329_100009813290 [0,1,0,0,0,0|3,0,0]=4 3240 B17R0.196 C=CCCCCCCCCCCC(=O)CCOC 1458a_100000749529_100011093070 [0,1,0,0,0,0|2,0,1]=4 3241 B17R0.196 C=CCCCCCCCCCCC(=O)COCC 1458a_100000211967_100011093070 [0,1,0,0,0,0|2,0,1]=4 3242 B17R0.196 C=CCCCCCCCCCCN(C)CCCO 2230a_100000213112_100011093070 [0,1,0,0,0,0|3,0,0]=4 3243 B17R0.196 C=CCCCCCCCCCCN(C)CCCO 269982a_100000213112_100011093070 [0,1,0,0,0,0|3,0,0]=4 3244 B17R0.196 C=CCCCCCCCCCCN(C)CCOC 2230a_100000743101_100011093070 [0,1,0,0,0,0|3,0,0]=4 3245 B17R0.196 C=CCCCCCCCCCCN(C)CCOC 269982a_100000743101_100011093070 [0,1,0,0,0,0|3,0,0]=4 3246 B17R0.196 C=CCCCCCCCCCCN(C)CCSC 2230a_100000686725_100011093070 [0,1,0,0,0,0|3,0,0]=4 3247 B17R0.196 C=CCCCCCCCCCCN(C)CCSC 269982a_100000686725_100011093070 [0,1,0,0,0,0|3,0,0]=4 3248 B17R0.196 C=CCCCCCCCCCNC(=O)CCCC 11a_100000081888_100000210183 [0,1,0,0,0,0|2,0,1]=4 3249 B17R0.196 C=CCCCCCCCCCNC(=O)CCCC 1626a_100000081888_100000210183 [0,1,0,0,0,0|2,0,1]=4 3250 B17R0.196 C=CCCCCCCCCCNC(=O)CCCC 240690a_100000081888_100000210183 [0,1,0,0,0,0|2,0,1]=4 3251 B17R0.196 C=CCCCCCCCCCNC(=O)CCCC 527a_100000081888_100000210183 [0,1,0,0,0,0|2,0,1]=4 3252 B17R0.196 C=CCCCCCCCCCNC(C)CCOC 270004a_100000081888_100000742357 [0,1,0,0,0,0|3,0,0]=4 3253 B17R0.196 C=CCCCCCCCCCOC(C)COCC 34a_100000718985_100009814027 [0,1,0,0,0,0|3,0,0]=4 3254 B17R0.196 C=CCCCCCCCCCOC(C)COCC 7a_100000718985_100009814027 [0,1,0,0,0,0|3,0,0]=4 3255 B17R0.196 C=CCCCCCCCCNCC(C)OCCC 2230a_100015185124_100011933949 [0,1,0,0,0,0|3,0,0]=4 3256 B17R0.196 C=CCCCCCCCCNCC(C)OCCC 34a_100015185124_100011933949 [0,1,0,0,0,0|3,0,0]=4 3257 B17R0.196 C=CCCCCCCCCNCC(O)COCC 2230a_102515437182_100011933949 [0,1,0,0,0,0|3,0,0]=4 3258 B17R0.196 C=CCCCCCCCCNCC(O)COCC 34a_102515437182_100011933949 [0,1,0,0,0,0|3,0,0]=4 3259 B17R0.196 C=CCCCCCCCCNC[C@H](C)CCCO 2230a_100160569302_100011933949 [0,1,0,0,0,0|3,0,0]=4 3260 B17R0.196 C=CCCCCCCCCNC[C@H](C)CCCO 34a_100160569302_100011933949 [0,1,0,0,0,0|3,0,0]=4 3261 B17R0.196 C=CCCCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100011933949 [0,1,0,0,0,0|2,0,0]=3 3262 B17R0.196 C=CCCCCCCCCOC[C@@H](N)CCSC 34a_100011827619_100011933949 [0,1,0,0,0,0|3,0,0]=4 3263 B17R0.196 C=CCCN(C)CCCCCCCCCCCO 2230a_100020639649_100009812471 [0,1,0,0,0,0|3,0,0]=4 3264 B17R0.196 C=CCCN(C)CCCCCCCCCCCO 269982a_100020639649_100009812471 [0,1,0,0,0,0|3,0,0]=4 3265 B17R0.196 C=CCNC(=O)CCCCCCCCCCCC 1626a_100020586998_100011215791 [0,1,0,0,0,0|2,0,1]=4 3266 B17R0.196 C=CCNC(=O)CCCCCCCCCCCC 240690a_100020586998_100011215791 [0,1,0,0,0,0|2,0,1]=4 3267 B17R0.196 CCCCC(=O)CCCCCCCCCCCO 1458a_100000210183_100009812471 [0,1,0,0,0,0|0,0,3]=4 3268 B17R0.196 CCCCC(C)CCCCOCCCCCC=O 7a_200011021034_100000139337 [0,1,0,0,0,0|1,0,0]=2 3269 B17R0.196 CCCCC(C)CCCCOCCCCCCO 34a_200011021034_100000766143 [0,1,0,0,0,0|1,0,2]=4 3270 B17R0.196 CCCCC(C)CCCCOCCCCCCO 7a_200011021034_100000766143 [0,1,0,0,0,0|1,0,2]=4 3271 B17R0.196 CCCCC(C)COCCCCCCCCCO 34a_100011995851_100009813782 [0,1,0,0,0,0|1,0,2]=4 3272 B17R0.196 CCCCC(C)COCCCCCCCCCO 7a_100011995851_100009813782 [0,1,0,0,0,0|1,0,2]=4 3273 B17R0.196 CCCCC(C)NCCCCCCCCCCO 2230a_100000066964_200011215066 [0,1,0,0,0,0|1,0,2]=4 3274 B17R0.196 CCCCC(C)NCCCCCCCCCCO 2230a_100000126638_100009813290 [0,1,0,0,0,0|1,0,2]=4 3275 B17R0.196 CCCCC(C)NCCCCCCCCCCO 270004a_100000066964_100000210087 [0,1,0,0,0,0|1,0,2]=4 3276 B17R0.196 CCCCC(C)NCCCCCCCCCCO 34a_100000066964_200011215066 [0,1,0,0,0,0|1,0,2]=4 3277 B17R0.196 CCCCC(C)OCCCCCCCCCCN 34a_100000066964_200011215066 [0,1,0,0,0,0|2,0,1]=4 3278 B17R0.196 CCCCC(C)OCCCCCCCCCCO 34a_100000687866_100009813290 [0,1,0,0,0,0|1,0,2]=4 3279 B17R0.196 CCCCC(C)OCCCCCCCCCCO 7a_100000687866_100009813290 [0,1,0,0,0,0|1,0,2]=4 3280 B17R0.196 CCCCCCCCCCCCC(=O)CCCO 1458a_100011215791_100011215043 [0,1,0,0,0,0|0,0,3]=4 3281 B17R0.196 CCCCCCCCCCCCC(=O)CCOC 1458a_100000749529_100000759014 [0,1,0,0,0,0|2,0,1]=4 3282 B17R0.196 CCCCCCCCCCCCC(=O)CCOC 1458a_100011215791_100000233755 [0,1,0,0,0,0|2,0,1]=4 3283 B17R0.196 CCCCCCCCCCCCC(C)NCCO 2230a_100016997473_200011217028 [0,1,0,0,0,0|1,0,2]=4 3284 B17R0.196 CCCCCCCCCCCCC(C)NCCO 270004a_100000210304_100011219199 [0,1,0,0,0,0|1,0,2]=4 3285 B17R0.196 CCCCCCCCCCCCC(C)NCCO 34a_100016990907_200011217028 [0,1,0,0,0,0|1,0,2]=4 3286 B17R0.196 CCCCCCCCCCCCC(C)OCC=O 34a_200011215752_200009817547 [0,1,0,0,0,0|1,0,0]=2 3287 B17R0.196 CCCCCCCCCCCCC(C)OCC=O 7a_200011215752_200015260668 [0,1,0,0,0,0|1,0,0]=2 3288 B17R0.196 CCCCCCCCCCCCC(C)OCCN 34a_100000210304_200011217028 [0,1,0,0,0,0|2,0,1]=4 3289 B17R0.196 CCCCCCCCCCCCC(C)OCCO 34a_200011215752_100000211926 [0,1,0,0,0,0|1,0,2]=4 3290 B17R0.196 CCCCCCCCCCCCC(C)OCCO 7a_200011215752_100000211926 [0,1,0,0,0,0|1,0,2]=4 3291 B17R0.196 CCCCCCCCCCCCN(C)CCC#N 2230a_100000184479_100011215052 [0,1,0,0,0,0|2,0,1]=4 3292 B17R0.196 CCCCCCCCCCCCN(C)CCC#N 2230a_100000227908_100011215226 [0,1,0,0,0,0|2,0,1]=4 3293 B17R0.196 CCCCCCCCCCCCN(C)CCC#N 2230a_200000085125_200000210301 [0,1,0,0,0,0|2,0,1]=4 3294 B17R0.196 CCCCCCCCCCCCN(C)CCC#N 269982a_100000227908_100011215226 [0,1,0,0,0,0|2,0,1]=4 3295 B17R0.196 CCCCCCCCCCCCN(C)CCC#N 270004a_100000184479_100011218549 [0,1,0,0,0,0|2,0,1]=4 3296 B17R0.196 CCCCCCCCCCCCN(C)CCCO 2230a_100000213112_100011215052 [0,1,0,0,0,0|1,0,2]=4 3297 B17R0.196 CCCCCCCCCCCCN(C)CCCO 2230a_100000227908_100000230001 [0,1,0,0,0,0|1,0,2]=4 3298 B17R0.196 CCCCCCCCCCCCN(C)CCCO 269982a_100000213112_100000759014 [0,1,0,0,0,0|1,0,2]=4 3299 B17R0.196 CCCCCCCCCCCCN(C)CCCO 269982a_100000227908_100011215043 [0,1,0,0,0,0|1,0,2]=4 3300 B17R0.196 CCCCCCCCCCCCN(C)CCCO 270004a_100000213112_100011218549 [0,1,0,0,0,0|1,0,2]=4 3301 B17R0.196 CCCCCCCCCCCCN(C)CCOC 2230a_100000227908_100011201679 [0,1,0,0,0,0|3,0,0]=4 3302 B17R0.196 CCCCCCCCCCCCN(C)CCOC 2230a_100000743101_100011215052 [0,1,0,0,0,0|3,0,0]=4 3303 B17R0.196 CCCCCCCCCCCCN(C)CCOC 269982a_100000227908_100000233755 [0,1,0,0,0,0|3,0,0]=4 3304 B17R0.196 CCCCCCCCCCCCN(C)CCOC 269982a_100000743101_100000759014 [0,1,0,0,0,0|3,0,0]=4 3305 B17R0.196 CCCCCCCCCCCCN(C)CCOC 270004a_100000743101_100011218549 [0,1,0,0,0,0|3,0,0]=4 3306 B17R0.196 CCCCCCCCCCCCN([13CH3])CCC#N 2230a_200000085125_200025704644 [0,1,0,0,0,0|2,0,1]=4 3307 B17R0.196 CCCCCCCCCCCNC(C)CCOC 270004a_200011215754_100000742357 [0,1,0,0,0,0|3,0,0]=4 3308 B17R0.196 CCCCCCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210320 [0,1,0,0,0,0|1,0,2]=4 3309 B17R0.196 CCCCCCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210320 [0,1,0,0,0,0|1,0,2]=4 3310 B17R0.196 CCCCCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000210320 [0,1,0,0,0,0|2,0,1]=4 3311 B17R0.196 CCCCCCCCCCOC[C@@H](N)CCSC 34a_100011827619_100000210320 [0,1,0,0,0,0|3,0,0]=4 3312 B17R0.196 CCCCN(C)CCCCCCCCCCCO 2230a_100000207549_100009812471 [0,1,0,0,0,0|1,0,2]=4 3313 B17R0.196 CCCCN(C)CCCCCCCCCCCO 269982a_100000207549_100009812471 [0,1,0,0,0,0|1,0,2]=4 3314 B17R0.196 CCCC[C@H](N)COCCCCCCCCCO 34a_100011934283_100009813782 [0,1,0,0,0,0|1,0,2]=4 3315 B17R0.250 C#CCN(C)CCCCCCCCCCCCC 2230a_100000225692_100000210684 [0,1,0,0,0,0|2,0,1]=4 3316 B17R0.250 C#CCN(C)CCCCCCCCCCCCC 270004a_100000225692_200011215488 [0,1,0,0,0,0|2,0,1]=4 3317 B17R0.250 C#CCN(C)CCCCCCCCCCCCC 34a_100000225692_100000210684 [0,1,0,0,0,0|2,0,1]=4 3318 B17R0.250 C=CCC(=O)CCCCCCCCCCCCO 1458a_100000210193_100009813331 [0,1,0,0,0,0|2,0,1]=4 3319 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 11a_100000210451_100000210193 [0,1,0,0,0,0|2,0,1]=4 3320 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000210193 [0,1,0,0,0,0|2,0,1]=4 3321 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 240690a_100000210451_100000210193 [0,1,0,0,0,0|2,0,1]=4 3322 B17R0.250 C=CCC(=O)NCCCCCCCCCCCC 527a_100000210451_100000210193 [0,1,0,0,0,0|2,0,1]=4 3323 B17R0.250 C=CCC(C)COCCCCCCCCCCO 34a_100009832082_100009813290 [0,1,0,0,0,0|3,0,0]=4 3324 B17R0.250 C=CCC(C)COCCCCCCCCCCO 7a_100009832082_100009813290 [0,1,0,0,0,0|3,0,0]=4 3325 B17R0.250 C=CCCCCCCCCCCCC(=O)CCO 1458a_100011216618_102130925996 [0,1,0,0,0,0|2,0,1]=4 3326 B17R0.250 C=CCCCCCCCCCCCC(=O)COC 1458a_100000210968_102130925996 [0,1,0,0,0,0|2,0,1]=4 3327 B17R0.250 C=CCCCCCCCCCCCN(C)CCO 2230a_100000210263_102130925996 [0,1,0,0,0,0|3,0,0]=4 3328 B17R0.250 C=CCCCCCCCCCCCN(C)CCO 269982a_100000210263_102130925996 [0,1,0,0,0,0|3,0,0]=4 3329 B17R0.250 C=CCCCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100011093070 [0,1,0,0,0,0|3,0,0]=4 3330 B17R0.250 C=CCCCCCCCCCCN[C@H](C)CCO 34a_100000706166_100011093070 [0,1,0,0,0,0|3,0,0]=4 3331 B17R0.250 C=CCCCCCCCCCCN[C@H](C)COC 2230a_100000764878_100011093070 [0,1,0,0,0,0|3,0,0]=4 3332 B17R0.250 C=CCCCCCCCCCCO[C@H](C)COC 34a_100011934205_100011093070 [0,1,0,0,0,0|3,0,0]=4 3333 B17R0.250 C=CCCCCCCCCCNCC(=O)CCC 2230a_100000081888_100000747444 [0,1,0,0,0,0|2,0,1]=4 3334 B17R0.250 C=CCCCCCCCCCNCC(O)COC 2230a_100000756049_100009814027 [0,1,0,0,0,0|3,0,0]=4 3335 B17R0.250 C=CCCCCCCCCCNCC(O)COC 34a_100000081888_100011215053 [0,1,0,0,0,0|3,0,0]=4 3336 B17R0.250 C=CCCCCCCCCCNCC(O)COC 34a_100000756049_100009814027 [0,1,0,0,0,0|3,0,0]=4 3337 B17R0.250 C=CCCCCCCCCCOCC(=O)CCC 7a_100000038209_100000747444 [0,1,0,0,0,0|2,0,1]=4 3338 B17R0.250 C=CCCCCCCCCCOCC(C)CCN 34a_106354213184_100009814027 [0,1,0,0,0,0|3,0,0]=4 3339 B17R0.250 C=CCCCCCCCCCOCC(N)COC 34a_100000724102_100009814027 [0,1,0,0,0,0|3,0,0]=4 3340 B17R0.250 C=CCCCCCCCCCOCC(O)COC 34a_100000038209_100011215053 [0,1,0,0,0,0|3,0,0]=4 3341 B17R0.250 C=CCCCCCCCCCOCC(O)COC 7a_100000038209_100011215053 [0,1,0,0,0,0|3,0,0]=4 3342 B17R0.250 C=CCCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100009814027 [0,1,0,0,0,0|2,0,0]=3 3343 B17R0.250 C=CCCCCCCCCCSCC(O)COC 62a_100009814027_100011215053 [0,1,0,0,0,0|3,0,0]=4 3344 B17R0.250 C=CCCCCCCCCCSCC(O)COC 62a_100011215053_100009814027 [0,1,0,0,0,0|3,0,0]=4 3345 B17R0.250 C=CCCCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100011933949 [0,1,0,0,0,0|2,0,0]=3 3346 B17R0.250 C=CCN(C)CCCCCCCCCCCCO 2230a_100000225617_100009813331 [0,1,0,0,0,0|3,0,0]=4 3347 B17R0.250 C=CCN(C)CCCCCCCCCCCCO 269982a_100000225617_100009813331 [0,1,0,0,0,0|3,0,0]=4 3348 B17R0.250 C=CC[C@@H](C)OCCCCCCCCCCCO 34a_100000731007_100009812471 [0,1,0,0,0,0|3,0,0]=4 3349 B17R0.250 C=CC[C@@H](C)OCCCCCCCCCCCO 7a_100000731007_100009812471 [0,1,0,0,0,0|3,0,0]=4 3350 B17R0.250 C=CC[C@@H](N)COCCCCCCCCCCC 34a_100020615467_100011215454 [0,1,0,0,0,0|2,0,0]=3 3351 B17R0.250 C=CC[C@@H](N)COCCCCCCCCCCO 34a_100020615467_100009813290 [0,1,0,0,0,0|3,0,0]=4 3352 B17R0.250 CCCC(=O)CCCCCCCCCCCCO 1458a_100000211992_100009813331 [0,1,0,0,0,0|0,0,3]=4 3353 B17R0.250 CCCC(C)CCCOCCCCCCCCO 34a_100011713154_100000033203 [0,1,0,0,0,0|1,0,2]=4 3354 B17R0.250 CCCC(C)CCCOCCCCCCCCO 7a_100011713154_100000033203 [0,1,0,0,0,0|1,0,2]=4 3355 B17R0.250 CCCC(C)CCOCCCCCCCCCO 34a_100011217855_100009813782 [0,1,0,0,0,0|1,0,2]=4 3356 B17R0.250 CCCC(C)CCOCCCCCCCCCO 7a_100011217855_100009813782 [0,1,0,0,0,0|1,0,2]=4 3357 B17R0.250 CCCC(C)CNCCCCCCCCCCO 2230a_100000066964_100011216630 [0,1,0,0,0,0|1,0,2]=4 3358 B17R0.250 CCCC(C)CNCCCCCCCCCCO 270004a_100000066964_100000243154 [0,1,0,0,0,0|1,0,2]=4 3359 B17R0.250 CCCC(C)CNCCCCCCCCCCO 34a_100000066964_100011216630 [0,1,0,0,0,0|1,0,2]=4 3360 B17R0.250 CCCC(C)COCCCCCCCCCCN 34a_100000066964_100011216630 [0,1,0,0,0,0|2,0,1]=4 3361 B17R0.250 CCCC(C)COCCCCCCCCCCO 34a_100000688023_100009813290 [0,1,0,0,0,0|1,0,2]=4 3362 B17R0.250 CCCC(C)COCCCCCCCCCCO 7a_100000688023_100009813290 [0,1,0,0,0,0|1,0,2]=4 3363 B17R0.250 CCCC(C)NCCCCCCCCCCCO 2230a_100000741246_100009812471 [0,1,0,0,0,0|1,0,2]=4 3364 B17R0.250 CCCC(C)OCCCCCCCCCCCO 34a_100000764384_100009812471 [0,1,0,0,0,0|1,0,2]=4 3365 B17R0.250 CCCC(C)OCCCCCCCCCCCO 7a_100000764384_100009812471 [0,1,0,0,0,0|1,0,2]=4 3366 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100000756256_100000211926 [0,1,0,0,0,0|0,0,3]=4 3367 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210684 [0,1,0,0,0,0|0,0,3]=4 3368 B17R0.250 CCCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000210684 [0,1,0,0,0,0|2,0,1]=4 3369 B17R0.250 CCCCCCCCCCCCCN(C)CC#N 2230a_100000748184_100000210684 [0,1,0,0,0,0|2,0,1]=4 3370 B17R0.250 CCCCCCCCCCCCCN(C)CCO 2230a_100000210263_100000210684 [0,1,0,0,0,0|1,0,2]=4 3371 B17R0.250 CCCCCCCCCCCCCN(C)CCO 269982a_100000210263_100000210684 [0,1,0,0,0,0|1,0,2]=4 3372 B17R0.250 CCCCCCCCCCCCCN(C)CCO 270004a_100000210263_200011215488 [0,1,0,0,0,0|1,0,2]=4 3373 B17R0.250 CCCCCCCCCCCCNC(C)CC#N 2230a_100000210451_100009813641 [0,1,0,0,0,0|2,0,1]=4 3374 B17R0.250 CCCCCCCCCCCCNC(C)CCO 2230a_100000210451_100009893172 [0,1,0,0,0,0|1,0,2]=4 3375 B17R0.250 CCCCCCCCCCCCNC(C)CCO 34a_100000210451_100009893172 [0,1,0,0,0,0|1,0,2]=4 3376 B17R0.250 CCCCCCCCCCCCNC(C)COC 2230a_100000210451_100000765312 [0,1,0,0,0,0|3,0,0]=4 3377 B17R0.250 CCCCCCCCCCCCNC(C)COC 270004a_100000210451_100000749346 [0,1,0,0,0,0|3,0,0]=4 3378 B17R0.250 CCCCCCCCCCCCNC(C)COC 34a_100000210451_100000765312 [0,1,0,0,0,0|3,0,0]=4 3379 B17R0.250 CCCCCCCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100011215052 [0,1,0,0,0,0|2,0,1]=4 3380 B17R0.250 CCCCCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100011215052 [0,1,0,0,0,0|1,0,2]=4 3381 B17R0.250 CCCCCCCCCCCCN[C@H](C)CCO 270004a_100000706166_100011218549 [0,1,0,0,0,0|1,0,2]=4 3382 B17R0.250 CCCCCCCCCCCCN[C@H](C)CCO 34a_100000706166_100000759014 [0,1,0,0,0,0|1,0,2]=4 3383 B17R0.250 CCCCCCCCCCCCN[C@H](C)COC 2230a_100000764878_100011215052 [0,1,0,0,0,0|3,0,0]=4 3384 B17R0.250 CCCCCCCCCCCCN[C@H](C)COC 270004a_100000764878_100011218549 [0,1,0,0,0,0|3,0,0]=4 3385 B17R0.250 CCCCCCCCCCCCOC(C)CCO 34a_100000210810_100009893172 [0,1,0,0,0,0|1,0,2]=4 3386 B17R0.250 CCCCCCCCCCCCOC(C)CCO 7a_100000210810_100009893172 [0,1,0,0,0,0|1,0,2]=4 3387 B17R0.250 CCCCCCCCCCCCOC(C)COC 34a_100000210810_100000765312 [0,1,0,0,0,0|3,0,0]=4 3388 B17R0.250 CCCCCCCCCCCCOC(C)COC 7a_100000210810_100000765312 [0,1,0,0,0,0|3,0,0]=4 3389 B17R0.250 CCCCCCCCCCCCO[C@H](C)COC 34a_100011934205_100000759014 [0,1,0,0,0,0|3,0,0]=4 3390 B17R0.250 CCCCCCCCCCCNCC(O)COC 2230a_100000756049_100011215454 [0,1,0,0,0,0|3,0,0]=4 3391 B17R0.250 CCCCCCCCCCCNCC(O)COC 34a_100000756049_100011215454 [0,1,0,0,0,0|3,0,0]=4 3392 B17R0.250 CCCCCCCCCCCNCC(O)COC 34a_200011215754_100011215053 [0,1,0,0,0,0|3,0,0]=4 3393 B17R0.250 CCCCCCCCCCCNC[C@@H](O)CC#N 2230a_200011215754_100000001066 [0,1,0,0,0,0|2,0,1]=4 3394 B17R0.250 CCCCCCCCCCCOCC(C)CCN 34a_106354213184_100011215454 [0,1,0,0,0,0|2,0,1]=4 3395 B17R0.250 CCCCCCCCCCCOCC(N)COC 34a_100000724102_100011215454 [0,1,0,0,0,0|3,0,0]=4 3396 B17R0.250 CCCCCCCCCCCOCC(O)COC 34a_100000210809_100011215053 [0,1,0,0,0,0|3,0,0]=4 3397 B17R0.250 CCCCCCCCCCCOCC(O)COC 7a_100000210809_100011215053 [0,1,0,0,0,0|3,0,0]=4 3398 B17R0.250 CCCCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011215454 [0,1,0,0,0,0|2,0,1]=4 3399 B17R0.250 CCCCCCCCCCCOC[C@@H](O)CC#N 7a_100000210809_100000001066 [0,1,0,0,0,0|2,0,1]=4 3400 B17R0.250 CCCCCCCCCCCSCC(O)COC 62a_100011215053_100011215454 [0,1,0,0,0,0|3,0,0]=4 3401 B17R0.250 CCCCCCCCCCCSC[C@@H](O)CC#N 62a_100000001066_100011215454 [0,1,0,0,0,0|2,0,1]=4 3402 B17R0.250 CCCCCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210320 [0,1,0,0,0,0|2,0,1]=4 3403 B17R0.250 CCCN(C)CCCCCCCCCCCCO 2230a_100000747261_100009813331 [0,1,0,0,0,0|1,0,2]=4 3404 B17R0.250 CCCN(C)CCCCCCCCCCCCO 269982a_100000747261_100009813331 [0,1,0,0,0,0|1,0,2]=4 3405 B17R0.250 CCC[C@H](N)CCOCCCCCCCCCO 34a_100015193777_100009813782 [0,1,0,0,0,0|1,0,2]=4 3406 B17R0.250 CCC[C@H](N)COCCCCCCCCCCO 34a_100000732646_100009813290 [0,1,0,0,0,0|1,0,2]=4 3407 B17R0.250 CCOC(=O)CCCCCCCCCSCC=O 62a_200015260668_100009828014 [0,1,0,0,0,0|2,0,1]=4 3408 B17R0.250 CCOC(=O)CCCCCCCSCCCC=O 62a_200011292268_100009991516 [0,1,0,0,0,0|2,0,1]=4 3409 B17R0.250 CCOC(=O)CCCCCCSCCCCC=O 62a_100000139335_100009814379 [0,1,0,0,0,0|2,0,1]=4 3410 B17R0.250 CCOC(=O)CCCCCOCCCCCC=O 7a_100011214988_100000139337 [0,1,0,0,0,0|2,0,1]=4 3411 B17R0.250 CCOC(=O)CCCCCSCCCCCC=O 62a_100000139337_100000755133 [0,1,0,0,0,0|2,0,1]=4 3412 B17R0.250 CCOC(=O)CCCCCSCCCCCC=O 62a_100000755133_100000139337 [0,1,0,0,0,0|2,0,1]=4 3413 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCO 1458a_100000766728_100009813290 [0,1,0,0,0,0|2,0,1]=4 3414 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 11a_100000684558_100000766728 [0,1,0,0,0,0|2,0,1]=4 3415 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000766728 [0,1,0,0,0,0|2,0,1]=4 3416 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000766728 [0,1,0,0,0,0|2,0,1]=4 3417 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 527a_100000684558_100000766728 [0,1,0,0,0,0|2,0,1]=4 3418 B17R0.3110 C=CCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100009814027 [0,1,0,0,0,0|2,0,1]=4 3419 B17R0.3110 C=CCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100009814027 [0,1,0,0,0,0|2,0,1]=4 3420 B17R0.3110 C=CCCCCCCCCCC(=O)CCOCC 1458a_100000749530_100009814027 [0,1,0,0,0,0|2,0,1]=4 3421 B17R0.3110 C=CCCCCCCCCCC(=O)COCCC 1458a_100000745993_100009814027 [0,1,0,0,0,0|2,0,1]=4 3422 B17R0.3110 C=CCCCCCCCCCN(C)CCCCO 2230a_100000717598_100009814027 [0,1,0,0,0,0|3,0,0]=4 3423 B17R0.3110 C=CCCCCCCCCCN(C)CCCCO 269982a_100000717598_100009814027 [0,1,0,0,0,0|3,0,0]=4 3424 B17R0.3110 C=CCCCCCCCCCN(C)CCCOC 2230a_100000224831_100009814027 [0,1,0,0,0,0|3,0,0]=4 3425 B17R0.3110 C=CCCCCCCCCCN(C)CCCOC 269982a_100000224831_100009814027 [0,1,0,0,0,0|3,0,0]=4 3426 B17R0.3110 C=CCCCCCCCCOC(C)CCCOC 34a_200011539412_100011933949 [0,1,0,0,0,0|3,0,0]=4 3427 B17R0.3110 C=CCCCCCCCCOC(C)CCCOC 7a_200011539412_100011933949 [0,1,0,0,0,0|3,0,0]=4 3428 B17R0.3110 C=CCCCCCCCOCC(=O)CCCCC 34a_100000730831_200012276598 [0,1,0,0,0,0|2,0,1]=4 3429 B17R0.3110 C=CCCCCCCCOCC(=O)CCCCC 7a_100000730831_200012276598 [0,1,0,0,0,0|2,0,1]=4 3430 B17R0.3110 C=CCCCCCCCOC[C@@H](N)CCCCN 34a_100016993712_100012355270 [0,1,0,0,0,0|3,0,0]=4 3431 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 11a_100015191253_100000210736 [0,1,0,0,0,0|2,0,1]=4 3432 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 1626a_100015191253_100000210736 [0,1,0,0,0,0|2,0,1]=4 3433 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 240690a_100015191253_100000210736 [0,1,0,0,0,0|2,0,1]=4 3434 B17R0.3110 CCCCCC(=O)CCCCCCCCCCO 1458a_100000212188_100009813290 [0,1,0,0,0,0|0,0,3]=4 3435 B17R0.3110 CCCCCC(C)NCCCCCCCCCO 2230a_100000078944_200011218191 [0,1,0,0,0,0|1,0,2]=4 3436 B17R0.3110 CCCCCC(C)NCCCCCCCCCO 2230a_100000211957_100009813782 [0,1,0,0,0,0|1,0,2]=4 3437 B17R0.3110 CCCCCC(C)NCCCCCCCCCO 270004a_100000078944_100000211708 [0,1,0,0,0,0|1,0,2]=4 3438 B17R0.3110 CCCCCC(C)NCCCCCCCCCO 34a_100000078944_200011218191 [0,1,0,0,0,0|1,0,2]=4 3439 B17R0.3110 CCCCCC(C)OCCCCCCCCCN 34a_100000078944_200011218191 [0,1,0,0,0,0|2,0,1]=4 3440 B17R0.3110 CCCCCC(C)OCCCCCCCCCO 34a_100011215632_100009813782 [0,1,0,0,0,0|1,0,2]=4 3441 B17R0.3110 CCCCCC(C)OCCCCCCCCCO 7a_100011215632_100009813782 [0,1,0,0,0,0|1,0,2]=4 3442 B17R0.3110 CCCCCCCCCCCC(=O)CCCCO 1458a_100000210736_100000210776 [0,1,0,0,0,0|0,0,3]=4 3443 B17R0.3110 CCCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100011215454 [0,1,0,0,0,0|0,0,3]=4 3444 B17R0.3110 CCCCCCCCCCCC(=O)CCCOC 1458a_100000210736_100000740836 [0,1,0,0,0,0|2,0,1]=4 3445 B17R0.3110 CCCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100011215454 [0,1,0,0,0,0|2,0,1]=4 3446 B17R0.3110 CCCCCCCCCCCC(C)NCCC#N 270004a_100000720768_100011216755 [0,1,0,0,0,0|2,0,1]=4 3447 B17R0.3110 CCCCCCCCCCCC(C)NCCCO 270004a_100000182051_100011216755 [0,1,0,0,0,0|1,0,2]=4 3448 B17R0.3110 CCCCCCCCCCCC(C)NCCOC 270004a_100000209980_100011216755 [0,1,0,0,0,0|3,0,0]=4 3449 B17R0.3110 CCCCCCCCCCCC(C)OCCCO 34a_100011217895_100000230001 [0,1,0,0,0,0|1,0,2]=4 3450 B17R0.3110 CCCCCCCCCCCC(C)OCCCO 7a_100011217895_100011215043 [0,1,0,0,0,0|1,0,2]=4 3451 B17R0.3110 CCCCCCCCCCCC(C)OCCOC 34a_100011217895_100011201679 [0,1,0,0,0,0|3,0,0]=4 3452 B17R0.3110 CCCCCCCCCCCC(C)OCCOC 7a_100011217895_100000233755 [0,1,0,0,0,0|3,0,0]=4 3453 B17R0.3110 CCCCCCCCCCCN(C)CCCCO 2230a_100000717598_100011215454 [0,1,0,0,0,0|1,0,2]=4 3454 B17R0.3110 CCCCCCCCCCCN(C)CCCCO 269982a_100000717598_100011215454 [0,1,0,0,0,0|1,0,2]=4 3455 B17R0.3110 CCCCCCCCCCCN(C)CCCOC 2230a_100000224831_100011215454 [0,1,0,0,0,0|3,0,0]=4 3456 B17R0.3110 CCCCCCCCCCCN(C)CCCOC 269982a_100000224831_100011215454 [0,1,0,0,0,0|3,0,0]=4 3457 B17R0.3110 CCCCCCCCCCNC(C)CCCC#N 270004a_100000684558_200000032708 [0,1,0,0,0,0|2,0,1]=4 3458 B17R0.3110 CCCCCCCCCCOC(=O)CSCC=O 62a_100000680656_200015260668 [0,1,0,0,0,0|2,0,1]=4 3459 B17R0.3110 CCCCCCCCCCOC(=O)CSCC=O 62a_200015260668_100000680656 [0,1,0,0,0,0|2,0,1]=4 3460 B17R0.3110 CCCCCCCCCCOC(C)CCCOC 34a_200011539412_100000210320 [0,1,0,0,0,0|3,0,0]=4 3461 B17R0.3110 CCCCCCCCCCOC(C)CCCOC 7a_200011539412_100000210320 [0,1,0,0,0,0|3,0,0]=4 3462 B17R0.3110 CCCCCCCCCOC[C@@H](N)CCCCN 34a_100016993712_100011214924 [0,1,0,0,0,0|2,0,1]=4 3463 B17R0.3110 CCCCCN(C)CCCCCCCCCCO 2230a_100000223495_100009813290 [0,1,0,0,0,0|1,0,2]=4 3464 B17R0.3110 CCCCCN(C)CCCCCCCCCCO 269982a_100000223495_100009813290 [0,1,0,0,0,0|1,0,2]=4 3465 B17R0.8809 C#CCCCCCCCN(C)CCCCCCC 2230a_100000228206_100153394163 [0,1,0,0,0,0|2,0,1]=4 3466 B17R0.8809 C#CCCCCCCCN(C)CCCCCCC 269982a_100000228206_100153394163 [0,1,0,0,0,0|2,0,1]=4 3467 B17R0.8809 C#CCCCCCN(C)CCCCCCCCC 2230a_100000232482_100012094781 [0,1,0,0,0,0|2,0,1]=4 3468 B17R0.8809 C#CCCCCCN(C)CCCCCCCCC 269982a_100000232482_100012094781 [0,1,0,0,0,0|2,0,1]=4 3469 B17R0.8809 C#CCCCNCC(C)CCCCCCCCC 270004a_100000718082_200011218516 [0,1,0,0,0,0|2,0,1]=4 3470 B17R0.8809 C=CCCCCCC(=O)CCCCCCCCO 1458a_100011934241_100000033203 [0,1,0,0,0,0|2,0,1]=4 3471 B17R0.8809 C=CCCCCCC(=O)NCCCCCCCC 11a_100000229939_100011934241 [0,1,0,0,0,0|2,0,1]=4 3472 B17R0.8809 C=CCCCCCC(=O)NCCCCCCCC 1626a_100000229939_100011934241 [0,1,0,0,0,0|2,0,1]=4 3473 B17R0.8809 C=CCCCCCC(=O)NCCCCCCCC 240690a_100000229939_100011934241 [0,1,0,0,0,0|2,0,1]=4 3474 B17R0.8809 C=CCCCCCC(=O)NCCCCCCCC 527a_100000229939_100011934241 [0,1,0,0,0,0|2,0,1]=4 3475 B17R0.8809 C=CCCCCCCCC(=O)CCCCCCO 1458a_100011216160_100000766143 [0,1,0,0,0,0|2,0,1]=4 3476 B17R0.8809 C=CCCCCCCCC(=O)CCCCCCO 1458a_100011996774_100012355270 [0,1,0,0,0,0|2,0,1]=4 3477 B17R0.8809 C=CCCCCCCCC(=O)CCCCCOC 1458a_100011935119_100012355270 [0,1,0,0,0,0|2,0,1]=4 3478 B17R0.8809 C=CCCCCCCCC(=O)CCOCCCC 1458a_100011216160_100000743108 [0,1,0,0,0,0|2,0,1]=4 3479 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCC 11a_100000210581_100011216160 [0,1,0,0,0,0|2,0,1]=4 3480 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCC 1626a_100000210581_100011216160 [0,1,0,0,0,0|2,0,1]=4 3481 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCC 240690a_100000210581_100011216160 [0,1,0,0,0,0|2,0,1]=4 3482 B17R0.8809 C=CCCCCCCCC(=O)NCCCCCC 527a_100000210581_100011216160 [0,1,0,0,0,0|2,0,1]=4 3483 B17R0.8809 C=CCCCCNC(=O)CCCCCCCCC 11a_100000703577_100000210558 [0,1,0,0,0,0|2,0,1]=4 3484 B17R0.8809 C=CCCCCNC(=O)CCCCCCCCC 1626a_100000703577_100000210558 [0,1,0,0,0,0|2,0,1]=4 3485 B17R0.8809 C=CCCCCNC(=O)CCCCCCCCC 240690a_100000703577_100000210558 [0,1,0,0,0,0|2,0,1]=4 3486 B17R0.8809 C=CCCCCNC(=O)CCCCCCCCC 527a_100000703577_100000210558 [0,1,0,0,0,0|2,0,1]=4 3487 B17R0.8809 C=COCCCNC(C)CCCCCCCCC 270004a_100000210767_100011215753 [0,1,0,0,0,0|3,0,0]=4 3488 B17R0.8809 CCCCCCCC(=O)CCCCCCCCO 1458a_100000211969_100000033203 [0,1,0,0,0,0|0,0,3]=4 3489 B17R0.8809 CCCCCCCC(=O)OCSCCCCC=O 62a_100000139335_100009852258 [0,1,0,0,0,0|2,0,1]=4 3490 B17R0.8809 CCCCCCCC(C)NCCCCCCCO 2230a_100011996573_200011218727 [0,1,0,0,0,0|1,0,2]=4 3491 B17R0.8809 CCCCCCCC(C)NCCCCCCCO 270004a_100011996573_100000210596 [0,1,0,0,0,0|1,0,2]=4 3492 B17R0.8809 CCCCCCCC(C)NCCCCCCCO 34a_100011996573_200011218727 [0,1,0,0,0,0|1,0,2]=4 3493 B17R0.8809 CCCCCCCC(C)OCCCCCCCN 34a_100011996573_200011218727 [0,1,0,0,0,0|2,0,1]=4 3494 B17R0.8809 CCCCCCCC(C)OCCCCCCCO 34a_200011215852_100000760002 [0,1,0,0,0,0|1,0,2]=4 3495 B17R0.8809 CCCCCCCC(C)OCCCCCCCO 7a_200011215852_100000760002 [0,1,0,0,0,0|1,0,2]=4 3496 B17R0.8809 CCCCCCCC(C)OCCCCCCOC 34a_200011215852_100011998445 [0,1,0,0,0,0|3,0,0]=4 3497 B17R0.8809 CCCCCCCC(C)OCCCCCCOC 34a_200012092642_200011218727 [0,1,0,0,0,0|3,0,0]=4 3498 B17R0.8809 CCCCCCCC(C)OCCCCCCOC 7a_200011215852_100011998445 [0,1,0,0,0,0|3,0,0]=4 3499 B17R0.8809 CCCCCCCC(C)OCCCCCCOC 7a_200012092642_200011218727 [0,1,0,0,0,0|3,0,0]=4 3500 B17R0.8809 CCCCCCCCCC(=O)CCCCCCO 1458a_100000210558_100000766143 [0,1,0,0,0,0|0,0,3]=4 3501 B17R0.8809 CCCCCCCCCC(=O)CCCCCCO 1458a_100011996774_100000210670 [0,1,0,0,0,0|0,0,3]=4 3502 B17R0.8809 CCCCCCCCCC(=O)CCCCCOC 1458a_100011935119_100000210670 [0,1,0,0,0,0|2,0,1]=4 3503 B17R0.8809 CCCCCCCCCC(C)CNCCCCO 270004a_100000750430_200011218516 [0,1,0,0,0,0|1,0,2]=4 3504 B17R0.8809 CCCCCCCCCC(C)CNCCCOC 270004a_100150723488_200011218516 [0,1,0,0,0,0|3,0,0]=4 3505 B17R0.8809 CCCCCCCCCC(C)NCCCCC#N 270004a_100000751965_100011215753 [0,1,0,0,0,0|2,0,1]=4 3506 B17R0.8809 CCCCCCCCCC(C)NCCCCCO 270004a_100000762737_100011215753 [0,1,0,0,0,0|1,0,2]=4 3507 B17R0.8809 CCCCCCCCCC(C)OCCCCC=O 7a_100011218016_100000139335 [0,1,0,0,0,0|1,0,0]=2 3508 B17R0.8809 CCCCCCCCCC(C)OCCCCCO 34a_100011218016_100000746330 [0,1,0,0,0,0|1,0,2]=4 3509 B17R0.8809 CCCCCCCCCC(C)OCCCCCO 7a_100011218016_100000746330 [0,1,0,0,0,0|1,0,2]=4 3510 B17R0.8809 CCCCCCCCCC(C)OCCCCOC 34a_100011218016_100000755781 [0,1,0,0,0,0|3,0,0]=4 3511 B17R0.8809 CCCCCCCCCC(C)OCCCCOC 7a_100011218016_100000730899 [0,1,0,0,0,0|3,0,0]=4 3512 B17R0.8809 CCCCCCCCCN(C)CCCCCC#N 2230a_100000232482_100009813376 [0,1,0,0,0,0|2,0,1]=4 3513 B17R0.8809 CCCCCCCCCN(C)CCCCCC#N 269982a_100000232482_100009813376 [0,1,0,0,0,0|2,0,1]=4 3514 B17R0.8809 CCCCCCCCCN(C)CCCCCC=O 2230a_100000232482_100000139337 [0,1,0,0,0,0|1,0,0]=2 3515 B17R0.8809 CCCCCCCCCN(C)CCCCCC=O 269982a_100000232482_100000139337 [0,1,0,0,0,0|1,0,0]=2 3516 B17R0.8809 CCCCCCCCCN(C)CCCCCCO 2230a_100000232482_100000766143 [0,1,0,0,0,0|1,0,2]=4 3517 B17R0.8809 CCCCCCCCCN(C)CCCCCCO 269982a_100000232482_100000766143 [0,1,0,0,0,0|1,0,2]=4 3518 B17R0.8809 CCCCCCCN(C)CCCCCCCCO 2230a_100000228206_100000033203 [0,1,0,0,0,0|1,0,2]=4 3519 B17R0.8809 CCCCCCCN(C)CCCCCCCCO 269982a_100000228206_100000033203 [0,1,0,0,0,0|1,0,2]=4 3520 B17R0.8809 CCCCCCNC(=O)CSCCCCCC=O 62a_100000230325_100000139337 [0,1,0,0,0,0|2,0,1]=4 3521 B17R0.12412 C#CCCCCCCCNC(C)CCCCCC 2230a_100000210919_100153394163 [0,1,0,0,0,0|2,0,1]=4 3522 B17R0.12412 C#CCCCCCCCNC(C)CCCCCC 34a_100000210919_100153394163 [0,1,0,0,0,0|2,0,1]=4 3523 B17R0.12412 C#CCCCCN(C)CCCCCCCCCC 2230a_100000207566_100010269958 [0,1,0,0,0,0|2,0,1]=4 3524 B17R0.12412 C#CCCCCN(C)CCCCCCCCCC 269982a_100000207566_100010269958 [0,1,0,0,0,0|2,0,1]=4 3525 B17R0.12412 C#CCCCNC(C)CCCCCCCCCC 270004a_100000718082_200011219864 [0,1,0,0,0,0|2,0,1]=4 3526 B17R0.12412 C=CCCCCC(=O)CCCCCCCCCO 1458a_100011215552_100009813782 [0,1,0,0,0,0|2,0,1]=4 3527 B17R0.12412 C=CCCCCC(=O)COCCCCCCCC 1458a_100000759886_100011215482 [0,1,0,0,0,0|2,0,1]=4 3528 B17R0.12412 C=CCCCCC(=O)NCCCCCCCCC 11a_100000212291_100011215552 [0,1,0,0,0,0|2,0,1]=4 3529 B17R0.12412 C=CCCCCC(=O)NCCCCCCCCC 1626a_100000212291_100011215552 [0,1,0,0,0,0|2,0,1]=4 3530 B17R0.12412 C=CCCCCC(=O)NCCCCCCCCC 240690a_100000212291_100011215552 [0,1,0,0,0,0|2,0,1]=4 3531 B17R0.12412 C=CCCCCC(=O)NCCCCCCCCC 527a_100000212291_100011215552 [0,1,0,0,0,0|2,0,1]=4 3532 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCO 1458a_100000211349_100000746330 [0,1,0,0,0,0|2,0,1]=4 3533 B17R0.12412 C=CCCCCCCCCC(=O)CCCCCO 1458a_100102619762_100011933949 [0,1,0,0,0,0|2,0,1]=4 3534 B17R0.12412 C=CCCCCCCCCC(=O)CCCCOC 1458a_100000211349_100000755781 [0,1,0,0,0,0|2,0,1]=4 3535 B17R0.12412 C=CCCCCCCCCC(=O)CCCOCC 1458a_100000211349_100012232248 [0,1,0,0,0,0|2,0,1]=4 3536 B17R0.12412 C=CCCCCCCCCC(=O)CCOCCC 1458a_100000211349_100011215938 [0,1,0,0,0,0|2,0,1]=4 3537 B17R0.12412 C=CCCCCCCCCC(=O)COCCCC 1458a_100000211349_100011995733 [0,1,0,0,0,0|2,0,1]=4 3538 B17R0.12412 C=CCCCCCCCCC(=O)COCCCC 1458a_100000757543_100011933949 [0,1,0,0,0,0|2,0,1]=4 3539 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCC 11a_100000209983_100000211349 [0,1,0,0,0,0|2,0,1]=4 3540 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000211349 [0,1,0,0,0,0|2,0,1]=4 3541 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000211349 [0,1,0,0,0,0|2,0,1]=4 3542 B17R0.12412 C=CCCCCCCCCC(=O)NCCCCC 527a_100000209983_100000211349 [0,1,0,0,0,0|2,0,1]=4 3543 B17R0.12412 C=CCCCCCCCCN(C)CCCCCO 2230a_100000722520_100011933949 [0,1,0,0,0,0|3,0,0]=4 3544 B17R0.12412 C=CCCCCCCCCN(C)CCCCCO 269982a_100000722520_100011933949 [0,1,0,0,0,0|3,0,0]=4 3545 B17R0.12412 C=CCCCCCCCOC(C)COCCCC 34a_100011217071_100012355270 [0,1,0,0,0,0|3,0,0]=4 3546 B17R0.12412 C=CCCCCCCCOC(C)COCCCC 7a_100011217071_100012355270 [0,1,0,0,0,0|3,0,0]=4 3547 B17R0.12412 C=CCCCCN(C)CCCCCCCCCO 2230a_100012000471_100009813782 [0,1,0,0,0,0|3,0,0]=4 3548 B17R0.12412 C=CCCCCN(C)CCCCCCCCCO 269982a_100012000471_100009813782 [0,1,0,0,0,0|3,0,0]=4 3549 B17R0.12412 C=CCCCNC(=O)CCCCCCCCCC 11a_100000700776_100000210375 [0,1,0,0,0,0|2,0,1]=4 3550 B17R0.12412 C=CCCCNC(=O)CCCCCCCCCC 1626a_100000700776_100000210375 [0,1,0,0,0,0|2,0,1]=4 3551 B17R0.12412 C=CCCCNC(=O)CCCCCCCCCC 240690a_100000700776_100000210375 [0,1,0,0,0,0|2,0,1]=4 3552 B17R0.12412 C=CCOCCC(=O)CCCCCCCCCC 1458a_200011217002_100000210319 [0,1,0,0,0,0|2,0,1]=4 3553 B17R0.12412 CCCCCCC(=O)CCCCCCCCCO 1458a_100102632555_100009813782 [0,1,0,0,0,0|0,0,3]=4 3554 B17R0.12412 CCCCCCC(C)CCOCCCCCC=O 7a_200011024964_100000139337 [0,1,0,0,0,0|1,0,0]=2 3555 B17R0.12412 CCCCCCC(C)CCOCCCCCCO 34a_200011024964_100000766143 [0,1,0,0,0,0|1,0,2]=4 3556 B17R0.12412 CCCCCCC(C)CCOCCCCCCO 7a_200011024964_100000766143 [0,1,0,0,0,0|1,0,2]=4 3557 B17R0.12412 CCCCCCC(C)NCCCCCCCCO 2230a_100000210919_100000033203 [0,1,0,0,0,0|1,0,2]=4 3558 B17R0.12412 CCCCCCC(C)NCCCCCCCCO 2230a_102515433106_100011215978 [0,1,0,0,0,0|1,0,2]=4 3559 B17R0.12412 CCCCCCC(C)NCCCCCCCCO 270004a_102515433106_100000210826 [0,1,0,0,0,0|1,0,2]=4 3560 B17R0.12412 CCCCCCC(C)NCCCCCCCCO 34a_100000210919_100000033203 [0,1,0,0,0,0|1,0,2]=4 3561 B17R0.12412 CCCCCCC(C)NCCCCCCCCO 34a_102515433106_100011215978 [0,1,0,0,0,0|1,0,2]=4 3562 B17R0.12412 CCCCCCC(C)OCCCCCCCCN 34a_102515433106_100011215978 [0,1,0,0,0,0|2,0,1]=4 3563 B17R0.12412 CCCCCCC(C)OCCCCCCCCO 34a_100000210265_100000033203 [0,1,0,0,0,0|1,0,2]=4 3564 B17R0.12412 CCCCCCC(C)OCCCCCCCCO 7a_100000210265_100000033203 [0,1,0,0,0,0|1,0,2]=4 3565 B17R0.12412 CCCCCCCCCCC(=O)CCCCCO 1458a_100000210375_100000746330 [0,1,0,0,0,0|0,0,3]=4 3566 B17R0.12412 CCCCCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210319 [0,1,0,0,0,0|0,0,3]=4 3567 B17R0.12412 CCCCCCCCCCC(=O)CCCCOC 1458a_100000210375_100000755781 [0,1,0,0,0,0|2,0,1]=4 3568 B17R0.12412 CCCCCCCCCCC(C)NCCCCO 270004a_100000750430_200011219864 [0,1,0,0,0,0|1,0,2]=4 3569 B17R0.12412 CCCCCCCCCCC(C)NCCCOC 270004a_100150723488_200011219864 [0,1,0,0,0,0|3,0,0]=4 3570 B17R0.12412 CCCCCCCCCCC(C)OCCCC=O 7a_100011215000_200011292268 [0,1,0,0,0,0|1,0,0]=2 3571 B17R0.12412 CCCCCCCCCCC(C)OCCCCO 34a_100011215000_100011216708 [0,1,0,0,0,0|1,0,2]=4 3572 B17R0.12412 CCCCCCCCCCC(C)OCCCCO 7a_100011215000_100000210776 [0,1,0,0,0,0|1,0,2]=4 3573 B17R0.12412 CCCCCCCCCCC(C)OCCCOC 34a_100011215000_100000740836 [0,1,0,0,0,0|3,0,0]=4 3574 B17R0.12412 CCCCCCCCCCC(C)OCCCOC 7a_100011215000_100000740836 [0,1,0,0,0,0|3,0,0]=4 3575 B17R0.12412 CCCCCCCCCCN(C)CCCCC#N 2230a_100000207566_100000211819 [0,1,0,0,0,0|2,0,1]=4 3576 B17R0.12412 CCCCCCCCCCN(C)CCCCC#N 269982a_100000207566_100011219923 [0,1,0,0,0,0|2,0,1]=4 3577 B17R0.12412 CCCCCCCCCCN(C)CCCCC=O 2230a_100000207566_100000139335 [0,1,0,0,0,0|1,0,0]=2 3578 B17R0.12412 CCCCCCCCCCN(C)CCCCC=O 269982a_100000207566_100000139335 [0,1,0,0,0,0|1,0,0]=2 3579 B17R0.12412 CCCCCCCCCCN(C)CCCCCO 2230a_100000207566_100000746330 [0,1,0,0,0,0|1,0,2]=4 3580 B17R0.12412 CCCCCCCCCCN(C)CCCCCO 2230a_100000722520_100000210320 [0,1,0,0,0,0|1,0,2]=4 3581 B17R0.12412 CCCCCCCCCCN(C)CCCCCO 269982a_100000207566_100000746330 [0,1,0,0,0,0|1,0,2]=4 3582 B17R0.12412 CCCCCCCCCCN(C)CCCCCO 269982a_100000722520_100000210320 [0,1,0,0,0,0|1,0,2]=4 3583 B17R0.12412 CCCCCCCCCCN(C)CCCCOC 2230a_100000207566_100000730899 [0,1,0,0,0,0|3,0,0]=4 3584 B17R0.12412 CCCCCCCCCCN(C)CCCCOC 269982a_100000207566_100000730899 [0,1,0,0,0,0|3,0,0]=4 3585 B17R0.12412 CCCCCCN(C)CCCCCCCCCO 2230a_106256046315_100009813782 [0,1,0,0,0,0|1,0,2]=4 3586 B17R0.12412 CCCCCCN(C)CCCCCCCCCO 269982a_106256046315_100009813782 [0,1,0,0,0,0|1,0,2]=4 3587 B17R1.315 C#CC1CCCCN1CCCCCCCCC 2230a_200020621307_100011214924 [0,0,0,1,0,0|2,0,1]=4 3588 B17R1.315 C#CC1CCCCN1CCCCCCCCC 269982a_200020621307_100000210670 [0,0,0,1,0,0|2,0,1]=4 3589 B17R1.315 C#CC1CCCCN1CCCCCCCCC 34a_200020621307_100011214924 [0,0,0,1,0,0|2,0,1]=4 3590 B17R1.315 C#CCCCCCCCN1CCCCC1CC 2230a_100000210034_100153394163 [0,0,0,1,0,0|2,0,1]=4 3591 B17R1.315 C#CCCCCCCCN1CCCCC1CC 269982a_100000210034_100153394163 [0,0,0,1,0,0|2,0,1]=4 3592 B17R1.315 C#CCCCCCCCN1CCCCC1CC 34a_100000210034_100153394163 [0,0,0,1,0,0|2,0,1]=4 3593 B17R1.315 C#CCCCCCCOC1CCCCC1CC 34a_100000210738_100012276617 [0,0,0,1,0,0|2,0,1]=4 3594 B17R1.315 C#CCCCCCCOC1CCCCC1CC 7a_100000210738_100012276617 [0,0,0,1,0,0|2,0,1]=4 3595 B17R1.315 C=CCCCCCCCN1CCCCC1CC 2230a_100000210034_100012355270 [0,0,0,1,0,0|2,0,0]=3 3596 B17R1.315 C=CCCCCCCCN1CCCCC1CC 269982a_100000210034_100012355270 [0,0,0,1,0,0|2,0,0]=3 3597 B17R1.315 C=CCCCCCCCN1CCCCC1CC 34a_100000210034_100012355270 [0,0,0,1,0,0|2,0,0]=3 3598 B17R1.315 C=CCCCCCCCN1CCCCC1CO 2230a_100000210821_100012355270 [0,0,0,1,0,0|3,0,0]=4 3599 B17R1.315 C=CCCCCCCCN1CCCCC1CO 269982a_100000210821_100012355270 [0,0,0,1,0,0|3,0,0]=4 3600 B17R1.315 C=CCCCCCCCN1CCCCC1CO 34a_100000210821_100012355270 [0,0,0,1,0,0|3,0,0]=4 3601 B17R1.315 C=CCCCCCCCN1CCOC[C@@H]1CC 2230a_100016988097_100012355270 [0,0,0,1,0,0|3,0,0]=4 3602 B17R1.315 C=CCCCCCCCN1CCOC[C@@H]1CC 269982a_100016988097_100012355270 [0,0,0,1,0,0|3,0,0]=4 3603 B17R1.315 C=CCCCCCCCN1CCOC[C@@H]1CC 34a_100016988097_100012355270 [0,0,0,1,0,0|3,0,0]=4 3604 B17R1.315 C=CCCCCCCNC1CCCCC1OC 34a_100011208099_100011215473 [0,0,0,1,0,0|3,0,0]=4 3605 B17R1.315 C=CCCCCCCOC1CCCCC1CN 34a_100011216029_100011215473 [0,0,0,1,0,0|3,0,0]=4 3606 B17R1.315 C=CCCCCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100011215473 [0,0,0,1,0,0|3,0,0]=4 3607 B17R1.315 C=CCCCCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100011215473 [0,0,0,1,0,0|3,0,0]=4 3608 B17R1.315 C=CCCCCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100011215473 [0,0,0,1,0,0|3,0,0]=4 3609 B17R1.315 C=CCCCCCNCC1CCCCN1CC 2230a_100000754393_100000700193 [0,0,0,1,0,0|3,0,0]=4 3610 B17R1.315 C=CCCCCCNCC1CCCCN1CC 34a_100000754393_100000700193 [0,0,0,1,0,0|3,0,0]=4 3611 B17R1.315 C=CCCCCCOCC1CCCCN1CC 34a_100000225091_100000700193 [0,0,0,1,0,0|3,0,0]=4 3612 B17R1.315 C=CCCCCCOCC1CCCCN1CC 7a_100000225091_100000700193 [0,0,0,1,0,0|3,0,0]=4 3613 B17R1.315 C=CCCCCNCCN1CCCCC1CC 2230a_100000755458_100011215482 [0,0,0,1,0,0|3,0,0]=4 3614 B17R1.315 C=CCCCCNCCN1CCCCC1CC 34a_100000755458_100011215482 [0,0,0,1,0,0|3,0,0]=4 3615 B17R1.315 C=CCCCNCCCN1CCCCC1CC 34a_100011191702_100000757094 [0,0,0,1,0,0|3,0,0]=4 3616 B17R1.315 CCC1CCCCC1NCCCCCCCO 269862a_100011996573_100000757040 [0,0,0,1,0,0|1,0,2]=4 3617 B17R1.315 CCC1CCCCC1NCCCCCCCO 270004a_100011996573_100000757040 [0,0,0,1,0,0|1,0,2]=4 3618 B17R1.315 CCC1CCCCC1OCCCCCCC#N 7a_100000210738_100009813337 [0,0,0,1,0,0|2,0,1]=4 3619 B17R1.315 CCC1CCCCC1OCCCCCCCO 34a_100000210738_100000760002 [0,0,0,1,0,0|1,0,2]=4 3620 B17R1.315 CCC1CCCCC1OCCCCCCCO 7a_100000210738_100000760002 [0,0,0,1,0,0|1,0,2]=4 3621 B17R1.315 CCC1CCCCC1OCCCCCCOC 34a_100000210738_100011998445 [0,0,0,1,0,0|3,0,0]=4 3622 B17R1.315 CCC1CCCCC1OCCCCCCOC 7a_100000210738_100011998445 [0,0,0,1,0,0|3,0,0]=4 3623 B17R1.315 CCC1CCCCN1CCCCCCCCO 2230a_100000210034_100000033203 [0,0,0,1,0,0|1,0,2]=4 3624 B17R1.315 CCC1CCCCN1CCCCCCCCO 269982a_100000210034_100000033203 [0,0,0,1,0,0|1,0,2]=4 3625 B17R1.315 CCC1CCCCN1CCCCCCCCO 34a_100000210034_100000033203 [0,0,0,1,0,0|1,0,2]=4 3626 B17R1.315 CCC1CCCCN1CCNCCCCC=O 2230a_100000755458_100000139335 [0,0,0,1,0,0|2,0,0]=3 3627 B17R1.315 CCCCCCCCCN1CCCCC1C#N 34a_100016989756_100011214924 [0,0,0,1,0,0|2,0,1]=4 3628 B17R1.315 CCCCCCCCCN1CCCCC1CO 2230a_100000210821_100011214924 [0,0,0,1,0,0|1,0,2]=4 3629 B17R1.315 CCCCCCCCCN1CCCCC1CO 269982a_100000210821_100000210670 [0,0,0,1,0,0|1,0,2]=4 3630 B17R1.315 CCCCCCCCCN1CCCCC1CO 34a_100000210821_100011214924 [0,0,0,1,0,0|1,0,2]=4 3631 B17R1.315 CCCCCCCCNC1CCCCC1CC 269862a_100000229939_100000757040 [0,0,0,1,0,0|2,0,1]=4 3632 B17R1.315 CCCCCCCCNC1CCCCC1CC 270004a_100000229939_100000757040 [0,0,0,1,0,0|2,0,1]=4 3633 B17R1.315 CCCCCCCCNC1CCCCC1CO 270004a_100000229939_100009861125 [0,0,0,1,0,0|1,0,2]=4 3634 B17R1.315 CCCCCCCCNC1CCCCC1OC 270004a_100000229939_100000740605 [0,0,0,1,0,0|3,0,0]=4 3635 B17R1.315 CCCCCCCCNC1CCCCC1OC 34a_100011208099_100000210759 [0,0,0,1,0,0|3,0,0]=4 3636 B17R1.315 CCCCCCCCOC1CCCCC1CN 34a_100011216029_100000210759 [0,0,0,1,0,0|2,0,1]=4 3637 B17R1.315 CCCCCCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210759 [0,0,0,1,0,0|3,0,0]=4 3638 B17R1.315 CCCCCCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210759 [0,0,0,1,0,0|3,0,0]=4 3639 B17R1.315 CCCCCCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210759 [0,0,0,1,0,0|3,0,0]=4 3640 B17R1.315 CCN1CCCCC1CNCCCCCC=O 2230a_100000754393_100000139337 [0,0,0,1,0,0|2,0,0]=3 3641 B17R1.315 CCN1CCCCC1COCCCCCC=O 7a_100000225091_100000139337 [0,0,0,1,0,0|2,0,0]=3 3642 B17R1.315 O=CCCCCNCCN1CCCCC1CO 2230a_100011473795_100000139335 [0,0,0,1,0,0|3,0,0]=4 3643 B17R1.322 C=CCCCCN1CCCCC1CCCOC 2230a_100011804088_100011215482 [0,0,0,1,0,0|3,0,0]=4 3644 B17R1.322 C=CCCCCN1CCCCC1CCCOC 269982a_100011804088_100011215482 [0,0,0,1,0,0|3,0,0]=4 3645 B17R1.322 C=CCCCCN1CCCCC1CCCOC 34a_100011804088_100011215482 [0,0,0,1,0,0|3,0,0]=4 3646 B17R1.322 CCCCCCN1CCCCC1CCCOC 2230a_100011804088_100000210314 [0,0,0,1,0,0|3,0,0]=4 3647 B17R1.322 CCCCCCN1CCCCC1CCCOC 269982a_100011804088_100000210757 [0,0,0,1,0,0|3,0,0]=4 3648 B17R1.322 CCCCCCN1CCCCC1CCCOC 34a_100011804088_100000210314 [0,0,0,1,0,0|3,0,0]=4 3649 B17R1.322 COCCCC1CCCCN1CCCCC=O 2230a_100011804088_100000139335 [0,0,0,1,0,0|2,0,0]=3 3650 B17R1.322 COCCCC1CCCCN1CCCCC=O 269982a_100011804088_100000139335 [0,0,0,1,0,0|2,0,0]=3 3651 B17R1.342 C#CCCCNC1CCCC1CCCCCC 270004a_100000718082_100000189428 [0,0,0,1,0,0|2,0,1]=4 3652 B17R1.342 C=CCCCNC1CCCC1CCCCCC 269862a_100000700776_100000189428 [0,0,0,1,0,0|2,0,0]=3 3653 B17R1.342 C=CCCCNC1CCCC1CCCCCC 270004a_100000700776_100000189428 [0,0,0,1,0,0|2,0,0]=3 3654 B17R1.342 CCCCCCC1CCCC1NCCCCC 269862a_100000209983_100000189428 [0,0,0,1,0,0|2,0,1]=4 3655 B17R1.342 CCCCCCC1CCCC1NCCCCC 270004a_100000209983_100000189428 [0,0,0,1,0,0|2,0,1]=4 3656 B17R1.342 CCCCCCC1CCCC1NCCCCO 269862a_100000750430_100000189428 [0,0,0,1,0,0|1,0,2]=4 3657 B17R1.342 CCCCCCC1CCCC1NCCCCO 270004a_100000750430_100000189428 [0,0,0,1,0,0|1,0,2]=4 3658 B17R1.342 CCCCCCC1CCCC1NCCCOC 269862a_100150723488_100000189428 [0,0,0,1,0,0|3,0,0]=4 3659 B17R1.342 CCCCCCC1CCCC1NCCCOC 270004a_100150723488_100000189428 [0,0,0,1,0,0|3,0,0]=4 3660 B17R1.342 CCCCCCC1CCCC1NCCCSC 269862a_100000749238_100000189428 [0,0,0,1,0,0|3,0,0]=4 3661 B17R1.342 CCCCCCC1CCCC1NCCCSC 270004a_100000749238_100000189428 [0,0,0,1,0,0|3,0,0]=4 3662 B17R1.1045 C#CCNC1CCCCCCCCCCC1=O 34a_100000212058_200009990614 [0,0,0,1,0,0|1,0,2]=4 3663 B17R1.1045 C#CCOC1CCCCCCCCCCC1=O 34a_100000210247_200009990614 [0,0,0,1,0,0|1,0,2]=4 3664 B17R1.1045 C#CCSC1CCCCCCCCCCC1=O 62a_100000038162_200009990614 [0,0,0,1,0,0|1,0,2]=4 3665 B17R1.1045 C=CCNC1CCCCCCCCCCC1=O 2230a_100020586998_200009990614 [0,0,0,1,0,0|1,0,2]=4 3666 B17R1.1045 C=CCOC1CCCCCCCCCCC1=O 34a_200000210373_200009990614 [0,0,0,1,0,0|1,0,2]=4 3667 B17R1.1045 C=CCSC1CCCCCCCCCCC1=O 62a_100000210623_200009990614 [0,0,0,1,0,0|1,0,2]=4 3668 B17R1.1045 C=CCSC1CCCCCCCCCCC1=O 62a_200009990614_100000210623 [0,0,0,1,0,0|1,0,2]=4 3669 B17R1.1045 CCCOC1CCCCCCCCCCC1=O 34a_100000210258_200009990614 [0,0,0,1,0,0|1,0,0]=2 3670 B17R1.1045 CCCSC1CCCCCCCCCCC1=O 62a_100000210303_200009990614 [0,0,0,1,0,0|1,0,0]=2 3671 B17R1.1045 CCCSC1CCCCCCCCCCC1=O 62a_200009990614_100000210303 [0,0,0,1,0,0|1,0,0]=2 3672 B17R1.1045 COCSC1CCCCCCCCCCC1=O 62a_100000766300_200009990614 [0,0,0,1,0,0|2,0,0]=3 3673 B17R1.1045 COCSC1CCCCCCCCCCC1=O 62a_200009990614_100000766300 [0,0,0,1,0,0|2,0,0]=3 3674 B17R1.1045 CSCSC1CCCCCCCCCCC1=O 62a_100011218213_200009990614 [0,0,0,1,0,0|2,0,0]=3 3675 B17R1.1045 CSCSC1CCCCCCCCCCC1=O 62a_200009990614_100011218213 [0,0,0,1,0,0|2,0,0]=3 3676 B17R1.1045 N#CCSC1CCCCCCCCCCC1=O 62a_100011215382_200009990614 [0,0,0,1,0,0|2,0,1]=4 3677 B17R1.1045 N#CCSC1CCCCCCCCCCC1=O 62a_200009990614_100011215382 [0,0,0,1,0,0|2,0,1]=4 3678 B17R1.1045 NCCOC1CCCCCCCCCCC1=O 34a_100000210304_200009990614 [0,0,0,1,0,0|2,0,0]=3 3679 B17R1.1045 O=C1CCCCCCCCCCC1NCCF 34a_100000724931_200009990614 [0,0,0,1,0,0|2,0,0]=3 3680 B17R1.1045 O=C1CCCCCCCCCCC1NCCO 2230a_100016997473_200009990614 [0,0,0,1,0,0|2,0,0]=3 3681 B17R1.1045 O=C1CCCCCCCCCCC1NCCO 34a_100016990907_200009990614 [0,0,0,1,0,0|2,0,0]=3 3682 B17R1.1045 O=C1CCCCCCCCCCC1OCCBr 34a_100000211926_200009990614 [0,0,0,1,0,0|2,0,0]=3 3683 B17R1.1045 O=C1CCCCCCCCCCC1SCCF 62a_100011217306_200009990614 [0,0,0,1,0,0|2,0,0]=3 3684 B17R1.1045 O=C1CCCCCCCCCCC1SCCF 62a_200009990614_100011217306 [0,0,0,1,0,0|2,0,0]=3 3685 B17R1.1045 O=C1CCCCCCCCCCC1SCCO 62a_100000211926_200009990614 [0,0,0,1,0,0|2,0,0]=3 3686 B17R1.1045 O=C1CCCCCCCCCCC1SCCO 62a_200009990614_100000211926 [0,0,0,1,0,0|2,0,0]=3 3687 B17R1.1045 O=CCSC1CCCCCCCCCCC1=O 62a_200009990614_200015260668 [0,0,0,1,0,0|2,0,1]=4 3688 B17R1.1045 O=CCSC1CCCCCCCCCCC1=O 62a_200015260668_200009990614 [0,0,0,1,0,0|2,0,1]=4 3689 B17R1.1242 C#CCCCCCCCCOC1CCCCC1 34a_100000065265_100000210327 [0,0,0,1,0,0|2,0,1]=4 3690 B17R1.1242 C#CCCCCCCCCOC1CCCCC1 7a_100000065265_100000210327 [0,0,0,1,0,0|2,0,1]=4 3691 B17R1.1242 C#CCCCCCCCNCC1CCCCC1 2230a_100000210473_100153394163 [0,0,0,1,0,0|2,0,1]=4 3692 B17R1.1242 C#CCCCCCCCNCC1CCCCC1 34a_100000210473_100153394163 [0,0,0,1,0,0|2,0,1]=4 3693 B17R1.1242 C#CCCCCCCCOCC1CCCCC1 34a_100000054614_100000211423 [0,0,0,1,0,0|2,0,1]=4 3694 B17R1.1242 C#CCCCCCCCOCC1CCCCC1 34a_100000212181_100153394163 [0,0,0,1,0,0|2,0,1]=4 3695 B17R1.1242 C#CCCCCCCCOCC1CCCCC1 7a_100000054614_100000211423 [0,0,0,1,0,0|2,0,1]=4 3696 B17R1.1242 C#CCCCCCCCOCC1CCCCC1 7a_100000212181_100153394163 [0,0,0,1,0,0|2,0,1]=4 3697 B17R1.1242 C#CCCCCCCNCCC1CCCCC1 2230a_100000738074_100012276617 [0,0,0,1,0,0|2,0,1]=4 3698 B17R1.1242 C#CCCCCCCNCCC1CCCCC1 34a_100000738074_100012276617 [0,0,0,1,0,0|2,0,1]=4 3699 B17R1.1242 C#CCCCCCCOCCC1CCCCC1 34a_100011217361_100011209188 [0,0,0,1,0,0|2,0,1]=4 3700 B17R1.1242 C#CCCCCCCOCCC1CCCCC1 34a_100011217863_100012276617 [0,0,0,1,0,0|2,0,1]=4 3701 B17R1.1242 C#CCCCCCCOCCC1CCCCC1 7a_100011217361_100011273959 [0,0,0,1,0,0|2,0,1]=4 3702 B17R1.1242 C#CCCCCCCOCCC1CCCCC1 7a_100011217863_100012276617 [0,0,0,1,0,0|2,0,1]=4 3703 B17R1.1242 C#CCCCCCNCCCC1CCCCC1 2230a_100011211642_100012094781 [0,0,0,1,0,0|2,0,1]=4 3704 B17R1.1242 C#CCCCCCNCCCC1CCCCC1 34a_100011211642_100012094781 [0,0,0,1,0,0|2,0,1]=4 3705 B17R1.1242 C#CCCCCCOCCCC1CCCCC1 34a_100000198086_100012094781 [0,0,0,1,0,0|2,0,1]=4 3706 B17R1.1242 C#CCCCCCOCCCC1CCCCC1 34a_100000766912_100011713725 [0,0,0,1,0,0|2,0,1]=4 3707 B17R1.1242 C#CCCCCCOCCCC1CCCCC1 7a_100000198086_100012094781 [0,0,0,1,0,0|2,0,1]=4 3708 B17R1.1242 C#CCCCCCOCCCC1CCCCC1 7a_100000766912_100011713725 [0,0,0,1,0,0|2,0,1]=4 3709 B17R1.1242 C#CCCCCOCCCCC1CCCCC1 34a_100011215267_100010269958 [0,0,0,1,0,0|2,0,1]=4 3710 B17R1.1242 C#CCCCCOCCCCC1CCCCC1 7a_100011215267_100010269958 [0,0,0,1,0,0|2,0,1]=4 3711 B17R1.1242 C=CCCCCCCCCCN1CCCOC1 2230a_100000131196_100009814027 [0,0,0,1,0,0|3,0,0]=4 3712 B17R1.1242 C=CCCCCCCCCCN1CCCOC1 269982a_100000131196_100009814027 [0,0,0,1,0,0|3,0,0]=4 3713 B17R1.1242 C=CCCCCCCCCCN1CCCOC1 34a_100000131196_100009814027 [0,0,0,1,0,0|3,0,0]=4 3714 B17R1.1242 C=CCCCCCCCCCN1CCOCC1 2230a_100015191051_100009814027 [0,0,0,1,0,0|3,0,0]=4 3715 B17R1.1242 C=CCCCCCCCCCN1CCOCC1 269982a_100015191051_100009814027 [0,0,0,1,0,0|3,0,0]=4 3716 B17R1.1242 C=CCCCCCCCCCN1CCOCC1 34a_100015191051_100009814027 [0,0,0,1,0,0|3,0,0]=4 3717 B17R1.1242 C=CCCCCCCCCCN1CCSCC1 2230a_100000737611_100009814027 [0,0,0,1,0,0|3,0,0]=4 3718 B17R1.1242 C=CCCCCCCCCCN1CCSCC1 269982a_100000737611_100009814027 [0,0,0,1,0,0|3,0,0]=4 3719 B17R1.1242 C=CCCCCCCCCNC1CCCCC1 2230a_100000182618_100011933949 [0,0,0,1,0,0|2,0,0]=3 3720 B17R1.1242 C=CCCCCCCCCNC1CCCCC1 34a_100000182618_100011933949 [0,0,0,1,0,0|2,0,0]=3 3721 B17R1.1242 C=CCCCCCCCCNC1CCCOC1 2230a_100000719290_100011933949 [0,0,0,1,0,0|3,0,0]=4 3722 B17R1.1242 C=CCCCCCCCCNC1CCCOC1 34a_100000719290_100011933949 [0,0,0,1,0,0|3,0,0]=4 3723 B17R1.1242 C=CCCCCCCCCNC1CCOCC1 2230a_100000741149_100011933949 [0,0,0,1,0,0|3,0,0]=4 3724 B17R1.1242 C=CCCCCCCCCNC1CCOCC1 34a_100000741149_100011933949 [0,0,0,1,0,0|3,0,0]=4 3725 B17R1.1242 C=CCCCCCCCCNC1CCSCC1 2230a_100000748639_100011933949 [0,0,0,1,0,0|3,0,0]=4 3726 B17R1.1242 C=CCCCCCCCCNC1CCSCC1 34a_100000748639_100011933949 [0,0,0,1,0,0|3,0,0]=4 3727 B17R1.1242 C=CCCCCCCCCOC1CCCCO1 34a_100000033831_100011933949 [0,0,0,1,0,0|3,0,0]=4 3728 B17R1.1242 C=CCCCCCCCCOC1CCCOC1 34a_100000754041_100011933949 [0,0,0,1,0,0|3,0,0]=4 3729 B17R1.1242 C=CCCCCCCCCOC1CCCOC1 34a_100011215194_100000693364 [0,0,0,1,0,0|3,0,0]=4 3730 B17R1.1242 C=CCCCCCCCCOC1CCCOC1 7a_100011215194_100000693364 [0,0,0,1,0,0|3,0,0]=4 3731 B17R1.1242 C=CCCCCCCCCOC1CCCSC1 7a_100015962668_100011933949 [0,0,0,1,0,0|3,0,0]=4 3732 B17R1.1242 C=CCCCCCCCCOC1CCOCC1 34a_100000744328_100011933949 [0,0,0,1,0,0|3,0,0]=4 3733 B17R1.1242 C=CCCCCCCCCOC1CCOCC1 7a_100011215194_100000686592 [0,0,0,1,0,0|3,0,0]=4 3734 B17R1.1242 C=CCCCCCCCCOC1CCSCC1 34a_100000731022_100011933949 [0,0,0,1,0,0|3,0,0]=4 3735 B17R1.1242 C=CCCCCCCCCOC1CCSCC1 34a_100011215194_100000069128 [0,0,0,1,0,0|3,0,0]=4 3736 B17R1.1242 C=CCCCCCCCCOC1CCSCC1 7a_100000731022_100011933949 [0,0,0,1,0,0|3,0,0]=4 3737 B17R1.1242 C=CCCCCCCCCOC1CCSCC1 7a_100011215194_100011500858 [0,0,0,1,0,0|3,0,0]=4 3738 B17R1.1242 C=CCCCCCCCCSC1CCCOC1 62a_100011933949_100000693364 [0,0,0,1,0,0|3,0,0]=4 3739 B17R1.1242 C=CCCCCCCCCSC1CCOCC1 62a_100011933949_100011324220 [0,0,0,1,0,0|3,0,0]=4 3740 B17R1.1242 C=CCCCCCCCNCC1CCCCC1 2230a_100000210473_100012355270 [0,0,0,1,0,0|2,0,0]=3 3741 B17R1.1242 C=CCCCCCCCNCC1CCCCC1 34a_100000210473_100012355270 [0,0,0,1,0,0|2,0,0]=3 3742 B17R1.1242 C=CCCCCCCCNCC1CCCCO1 2230a_100000174945_100012355270 [0,0,0,1,0,0|3,0,0]=4 3743 B17R1.1242 C=CCCCCCCCNCC1CCCCO1 34a_100000174945_100012355270 [0,0,0,1,0,0|3,0,0]=4 3744 B17R1.1242 C=CCCCCCCCNCC1CCCOC1 2230a_100000720124_100012355270 [0,0,0,1,0,0|3,0,0]=4 3745 B17R1.1242 C=CCCCCCCCNCC1CCCOC1 34a_100000720124_100012355270 [0,0,0,1,0,0|3,0,0]=4 3746 B17R1.1242 C=CCCCCCCCNCC1CCOCC1 2230a_100000746373_100012355270 [0,0,0,1,0,0|3,0,0]=4 3747 B17R1.1242 C=CCCCCCCCNCC1CCOCC1 34a_100000746373_100012355270 [0,0,0,1,0,0|3,0,0]=4 3748 B17R1.1242 C=CCCCCCCCNCC1CCSCC1 2230a_100015188806_100012355270 [0,0,0,1,0,0|3,0,0]=4 3749 B17R1.1242 C=CCCCCCCCNCC1CCSCC1 34a_100015188806_100012355270 [0,0,0,1,0,0|3,0,0]=4 3750 B17R1.1242 C=CCCCCCCCOCC1CCCCN1 34a_100000210821_100012355270 [0,0,0,1,0,0|3,0,0]=4 3751 B17R1.1242 C=CCCCCCCCOCC1CCCCO1 34a_100000211370_100012355270 [0,0,0,1,0,0|3,0,0]=4 3752 B17R1.1242 C=CCCCCCCCOCC1CCCCO1 34a_100000730831_100000211543 [0,0,0,1,0,0|3,0,0]=4 3753 B17R1.1242 C=CCCCCCCCOCC1CCCCO1 7a_100000211370_100012355270 [0,0,0,1,0,0|3,0,0]=4 3754 B17R1.1242 C=CCCCCCCCOCC1CCCCO1 7a_100000730831_100000211543 [0,0,0,1,0,0|3,0,0]=4 3755 B17R1.1242 C=CCCCCCCCOCC1CCCNC1 34a_100000211344_100012355270 [0,0,0,1,0,0|3,0,0]=4 3756 B17R1.1242 C=CCCCCCCCOCC1CCCOC1 34a_100000730831_100000741521 [0,0,0,1,0,0|3,0,0]=4 3757 B17R1.1242 C=CCCCCCCCOCC1CCCOC1 34a_100000741520_100012355270 [0,0,0,1,0,0|3,0,0]=4 3758 B17R1.1242 C=CCCCCCCCOCC1CCCOC1 7a_100000730831_100000741521 [0,0,0,1,0,0|3,0,0]=4 3759 B17R1.1242 C=CCCCCCCCOCC1CCNCC1 34a_100000738675_100012355270 [0,0,0,1,0,0|3,0,0]=4 3760 B17R1.1242 C=CCCCCCCCOCC1CCOCC1 34a_100000730831_100000754603 [0,0,0,1,0,0|3,0,0]=4 3761 B17R1.1242 C=CCCCCCCCOCC1CCOCC1 34a_100000749013_100012355270 [0,0,0,1,0,0|3,0,0]=4 3762 B17R1.1242 C=CCCCCCCCOCC1CCOCC1 7a_100000730831_100000754603 [0,0,0,1,0,0|3,0,0]=4 3763 B17R1.1242 C=CCCCCCCCOCC1CCSCC1 34a_100000070558_100012355270 [0,0,0,1,0,0|3,0,0]=4 3764 B17R1.1242 C=CCCCCCCCOCC1CCSCC1 7a_100000070558_100012355270 [0,0,0,1,0,0|3,0,0]=4 3765 B17R1.1242 C=CCCCCCCCSCC1CCCCO1 62a_100000211543_100012355270 [0,0,0,1,0,0|3,0,0]=4 3766 B17R1.1242 C=CCCCCCCCSCC1CCCCO1 62a_100012355270_100000211543 [0,0,0,1,0,0|3,0,0]=4 3767 B17R1.1242 C=CCCCCCCCSCC1CCCOC1 62a_100000741521_100012355270 [0,0,0,1,0,0|3,0,0]=4 3768 B17R1.1242 C=CCCCCCCCSCC1CCCOC1 62a_100012355270_100000741521 [0,0,0,1,0,0|3,0,0]=4 3769 B17R1.1242 C=CCCCCCCCSCC1CCOCC1 62a_100000754603_100012355270 [0,0,0,1,0,0|3,0,0]=4 3770 B17R1.1242 C=CCCCCCCCSCC1CCOCC1 62a_100012355270_100000749018 [0,0,0,1,0,0|3,0,0]=4 3771 B17R1.1242 C=CCCCCCCNCCC1CCCCC1 2230a_100000738074_100011215473 [0,0,0,1,0,0|2,0,0]=3 3772 B17R1.1242 C=CCCCCCCNCCC1CCCCC1 34a_100000738074_100011215473 [0,0,0,1,0,0|2,0,0]=3 3773 B17R1.1242 C=CCCCCCCNCCC1CCCCO1 2230a_100015183643_100011215473 [0,0,0,1,0,0|3,0,0]=4 3774 B17R1.1242 C=CCCCCCCNCCC1CCCCO1 34a_100015183643_100011215473 [0,0,0,1,0,0|3,0,0]=4 3775 B17R1.1242 C=CCCCCCCNCCC1CCOCC1 2230a_100000755988_100011215473 [0,0,0,1,0,0|3,0,0]=4 3776 B17R1.1242 C=CCCCCCCNCCC1CCOCC1 34a_100000755988_100011215473 [0,0,0,1,0,0|3,0,0]=4 3777 B17R1.1242 C=CCCCCCCOCCC1CCCCN1 34a_100000211664_100011215473 [0,0,0,1,0,0|3,0,0]=4 3778 B17R1.1242 C=CCCCCCCOCCC1CCCNC1 34a_100000752241_100011215473 [0,0,0,1,0,0|3,0,0]=4 3779 B17R1.1242 C=CCCCCCCOCCC1CCNCC1 34a_100015190746_100011215473 [0,0,0,1,0,0|3,0,0]=4 3780 B17R1.1242 C=CCCCCCCOCCC1CCOCC1 34a_100011933979_100011215473 [0,0,0,1,0,0|3,0,0]=4 3781 B17R1.1242 C=CCCCCCCOCCC1CCOCC1 34a_200011216477_100011934994 [0,0,0,1,0,0|3,0,0]=4 3782 B17R1.1242 C=CCCCCCCOCCC1CCOCC1 7a_100011933979_100011215473 [0,0,0,1,0,0|3,0,0]=4 3783 B17R1.1242 C=CCCCCCCOCCC1CCOCC1 7a_200011216477_100011934994 [0,0,0,1,0,0|3,0,0]=4 3784 B17R1.1242 C=CCCCCCCOCCN1CCCCC1 34a_200011216477_100000739454 [0,0,0,1,0,0|3,0,0]=4 3785 B17R1.1242 C=CCCCCCCOCCN1CCCCC1 7a_200011216477_100000739454 [0,0,0,1,0,0|3,0,0]=4 3786 B17R1.1242 C=CCCCCCCOCOC1CCCCC1 34a_200011216477_100011935260 [0,0,0,1,0,0|3,0,0]=4 3787 B17R1.1242 C=CCCCCCCOCOC1CCCCC1 7a_200011216477_100011935260 [0,0,0,1,0,0|3,0,0]=4 3788 B17R1.1242 C=CCCCCCCSCCC1CCOCC1 62a_100011215473_100011934994 [0,0,0,1,0,0|3,0,0]=4 3789 B17R1.1242 C=CCCCCCCSCCC1CCOCC1 62a_100011934994_100011215473 [0,0,0,1,0,0|3,0,0]=4 3790 B17R1.1242 C=CCCCCCCSCCN1CCCCC1 62a_100000739454_100011215473 [0,0,0,1,0,0|3,0,0]=4 3791 B17R1.1242 C=CCCCCCCSCCN1CCCCC1 62a_100011215473_100000739454 [0,0,0,1,0,0|3,0,0]=4 3792 B17R1.1242 C=CCCCCCNCCCC1CCCCC1 2230a_100011211642_100000700193 [0,0,0,1,0,0|2,0,0]=3 3793 B17R1.1242 C=CCCCCCNCCCC1CCCCC1 34a_100011211642_100000700193 [0,0,0,1,0,0|2,0,0]=3 3794 B17R1.1242 C=CCCCCCNCCOC1CCCCC1 34a_100015206981_100000700193 [0,0,0,1,0,0|3,0,0]=4 3795 B17R1.1242 C=CCCCCCOCCCC1CCCCN1 34a_100011934581_100000700193 [0,0,0,1,0,0|3,0,0]=4 3796 B17R1.1242 C=CCCCCCOCCCC1CCCNC1 34a_100150707839_100000700193 [0,0,0,1,0,0|3,0,0]=4 3797 B17R1.1242 C=CCCCCCOCCCC1CCNCC1 34a_100016988962_100000700193 [0,0,0,1,0,0|3,0,0]=4 3798 B17R1.1242 C=CCCCCCOCCCN1CCCCC1 34a_100000212458_100000700193 [0,0,0,1,0,0|3,0,0]=4 3799 B17R1.1242 C=CCCCCCOCCCN1CCCCC1 34a_100011216702_100000690320 [0,0,0,1,0,0|3,0,0]=4 3800 B17R1.1242 C=CCCCCCOCCCN1CCCCC1 7a_100011216702_100000007876 [0,0,0,1,0,0|3,0,0]=4 3801 B17R1.1242 C=CCCCCCOCCNC1CCCCC1 34a_100000200466_100000700193 [0,0,0,1,0,0|3,0,0]=4 3802 B17R1.1242 C=CCCCCCOCCOC1CCCCC1 34a_100011216702_100011211530 [0,0,0,1,0,0|3,0,0]=4 3803 B17R1.1242 C=CCCCCCOCCOC1CCCCC1 34a_100011249652_100000700193 [0,0,0,1,0,0|3,0,0]=4 3804 B17R1.1242 C=CCCCCCOCCOC1CCCCC1 7a_100011216702_100011211530 [0,0,0,1,0,0|3,0,0]=4 3805 B17R1.1242 C=CCCCCCOCCOC1CCCCC1 7a_100011249652_100000700193 [0,0,0,1,0,0|3,0,0]=4 3806 B17R1.1242 C=CCCCCCSCCCN1CCCCC1 62a_100000700193_100000007876 [0,0,0,1,0,0|3,0,0]=4 3807 B17R1.1242 C=CCCCCCSCCCN1CCCCC1 62a_100132302099_100000700193 [0,0,0,1,0,0|3,0,0]=4 3808 B17R1.1242 C=CCCCCCSCCOC1CCCCC1 62a_100000700193_100011211530 [0,0,0,1,0,0|3,0,0]=4 3809 B17R1.1242 C=CCCCCCSCCOC1CCCCC1 62a_100011211530_100000700193 [0,0,0,1,0,0|3,0,0]=4 3810 B17R1.1242 C=CCCCCNCCCOC1CCCCC1 34a_100000205933_100011215482 [0,0,0,1,0,0|3,0,0]=4 3811 B17R1.1242 C=CCCCCOCCCCC1CCNCC1 34a_100016989291_100011215482 [0,0,0,1,0,0|3,0,0]=4 3812 B17R1.1242 C=CCCCOCCCCCN1CCCCC1 34a_100011216611_100000757094 [0,0,0,1,0,0|3,0,0]=4 3813 B17R1.1242 C=CCCCOCCCCCN1CCCCC1 7a_100011216611_100000757094 [0,0,0,1,0,0|3,0,0]=4 3814 B17R1.1242 C=COCCCCOCCCC1CCCCC1 34a_100000031558_100011713725 [0,0,0,1,0,0|3,0,0]=4 3815 B17R1.1242 C=COCCCCOCCCC1CCCCC1 7a_100000031558_100011713725 [0,0,0,1,0,0|3,0,0]=4 3816 B17R1.1242 CCCCCCCCCCCN1CC=CCC1 2230a_100000698166_100011215454 [0,0,0,1,0,0|2,0,1]=4 3817 B17R1.1242 CCCCCCCCCCCN1CC=CCC1 269982a_100000698166_100011215454 [0,0,0,1,0,0|2,0,1]=4 3818 B17R1.1242 CCCCCCCCCCCN1CC=CCC1 34a_100000698166_100011215454 [0,0,0,1,0,0|2,0,1]=4 3819 B17R1.1242 CCCCCCCCCCCN1CCCOC1 2230a_100000131196_100011215454 [0,0,0,1,0,0|3,0,0]=4 3820 B17R1.1242 CCCCCCCCCCCN1CCCOC1 269982a_100000131196_100011215454 [0,0,0,1,0,0|3,0,0]=4 3821 B17R1.1242 CCCCCCCCCCCN1CCCOC1 34a_100000131196_100011215454 [0,0,0,1,0,0|3,0,0]=4 3822 B17R1.1242 CCCCCCCCCCNC1C=CCCC1 2230a_100000684558_100000751183 [0,0,0,1,0,0|2,0,0]=3 3823 B17R1.1242 CCCCCCCCCCNC1CCCOC1 2230a_100000719290_100000210320 [0,0,0,1,0,0|3,0,0]=4 3824 B17R1.1242 CCCCCCCCCCNC1CCCOC1 270004a_100000684558_100000753404 [0,0,0,1,0,0|3,0,0]=4 3825 B17R1.1242 CCCCCCCCCCNC1CCCOC1 34a_100000684558_100000693364 [0,0,0,1,0,0|3,0,0]=4 3826 B17R1.1242 CCCCCCCCCCNC1CCCOC1 34a_100000719290_100000210320 [0,0,0,1,0,0|3,0,0]=4 3827 B17R1.1242 CCCCCCCCCCNC1CCCSC1 270004a_100000684558_100000057913 [0,0,0,1,0,0|3,0,0]=4 3828 B17R1.1242 CCCCCCCCCCOC1CCCCO1 34a_100000033831_100000210320 [0,0,0,1,0,0|1,0,2]=4 3829 B17R1.1242 CCCCCCCCCCOC1CCCOC1 34a_100000210711_100000693364 [0,0,0,1,0,0|3,0,0]=4 3830 B17R1.1242 CCCCCCCCCCOC1CCCOC1 34a_100000754041_100000210320 [0,0,0,1,0,0|3,0,0]=4 3831 B17R1.1242 CCCCCCCCCCOC1CCCOC1 7a_100000210711_100000693364 [0,0,0,1,0,0|3,0,0]=4 3832 B17R1.1242 CCCCCCCCCNCC1CC=CCC1 270004a_100000212291_100000189434 [0,0,0,1,0,0|2,0,1]=4 3833 B17R1.1242 CCCCCCCCCNCC1CCCCC1 2230a_100000210473_100011214924 [0,0,0,1,0,0|2,0,1]=4 3834 B17R1.1242 CCCCCCCCCNCC1CCCCC1 2230a_100000212291_100000211423 [0,0,0,1,0,0|2,0,1]=4 3835 B17R1.1242 CCCCCCCCCNCC1CCCCC1 269862a_100000212291_100000211278 [0,0,0,1,0,0|2,0,1]=4 3836 B17R1.1242 CCCCCCCCCNCC1CCCCC1 34a_100000210473_100011214924 [0,0,0,1,0,0|2,0,1]=4 3837 B17R1.1242 CCCCCCCCCNCC1CCCCC1 34a_100000212291_100000211423 [0,0,0,1,0,0|2,0,1]=4 3838 B17R1.1242 CCCCCCCCCNCC1CCCCO1 2230a_100000174945_100011214924 [0,0,0,1,0,0|1,0,2]=4 3839 B17R1.1242 CCCCCCCCCNCC1CCCCO1 2230a_100000212291_100000211543 [0,0,0,1,0,0|1,0,2]=4 3840 B17R1.1242 CCCCCCCCCNCC1CCCCO1 34a_100000174945_100011214924 [0,0,0,1,0,0|1,0,2]=4 3841 B17R1.1242 CCCCCCCCCNCC1CCCCO1 34a_100000212291_100000211543 [0,0,0,1,0,0|1,0,2]=4 3842 B17R1.1242 CCCCCCCCCNCC1CCCOC1 2230a_100000212291_100000741521 [0,0,0,1,0,0|3,0,0]=4 3843 B17R1.1242 CCCCCCCCCNCC1CCCOC1 2230a_100000720124_100011214924 [0,0,0,1,0,0|3,0,0]=4 3844 B17R1.1242 CCCCCCCCCNCC1CCCOC1 34a_100000212291_100000741521 [0,0,0,1,0,0|3,0,0]=4 3845 B17R1.1242 CCCCCCCCCNCC1CCCOC1 34a_100000720124_100011214924 [0,0,0,1,0,0|3,0,0]=4 3846 B17R1.1242 CCCCCCCCCOCC1CCC=CO1 34a_100011217868_100011214924 [0,0,0,1,0,0|1,0,2]=4 3847 B17R1.1242 CCCCCCCCCOCC1CCCCN1 34a_100000210821_100011214924 [0,0,0,1,0,0|2,0,1]=4 3848 B17R1.1242 CCCCCCCCCOCC1CCCCO1 34a_100000210712_100000211543 [0,0,0,1,0,0|1,0,2]=4 3849 B17R1.1242 CCCCCCCCCOCC1CCCCO1 34a_100000211370_100011214924 [0,0,0,1,0,0|1,0,2]=4 3850 B17R1.1242 CCCCCCCCCOCC1CCCCO1 7a_100000210712_100000211543 [0,0,0,1,0,0|1,0,2]=4 3851 B17R1.1242 CCCCCCCCCOCC1CCCCO1 7a_100000211370_100000210328 [0,0,0,1,0,0|1,0,2]=4 3852 B17R1.1242 CCCCCCCCCOCC1CCCNC1 34a_100000211344_100011214924 [0,0,0,1,0,0|3,0,0]=4 3853 B17R1.1242 CCCCCCCCCOCC1CCCOC1 34a_100000210712_100000741521 [0,0,0,1,0,0|3,0,0]=4 3854 B17R1.1242 CCCCCCCCCOCC1CCCOC1 34a_100000741520_100011214924 [0,0,0,1,0,0|3,0,0]=4 3855 B17R1.1242 CCCCCCCCCOCC1CCCOC1 7a_100000210712_100000741521 [0,0,0,1,0,0|3,0,0]=4 3856 B17R1.1242 CCCCCCCCCSCC1CCCOC1 62a_100000741521_100000210670 [0,0,0,1,0,0|3,0,0]=4 3857 B17R1.1242 CCCCCCCCNCCC1CCCCC1 2230a_100000229939_100012355289 [0,0,0,1,0,0|2,0,1]=4 3858 B17R1.1242 CCCCCCCCNCCC1CCCCC1 2230a_100000738074_100000210759 [0,0,0,1,0,0|2,0,1]=4 3859 B17R1.1242 CCCCCCCCNCCC1CCCCC1 270004a_100000229939_100011713444 [0,0,0,1,0,0|2,0,1]=4 3860 B17R1.1242 CCCCCCCCNCCC1CCCCC1 34a_100000229939_100011209188 [0,0,0,1,0,0|2,0,1]=4 3861 B17R1.1242 CCCCCCCCNCCC1CCCCC1 34a_100000738074_100000210759 [0,0,0,1,0,0|2,0,1]=4 3862 B17R1.1242 CCCCCCCCNCCC1CCCCO1 2230a_100015183643_100000210759 [0,0,0,1,0,0|1,0,2]=4 3863 B17R1.1242 CCCCCCCCNCCC1CCCCO1 34a_100015183643_100000210759 [0,0,0,1,0,0|1,0,2]=4 3864 B17R1.1242 CCCCCCCCOCCC1CCCCN1 34a_100000211664_100000210759 [0,0,0,1,0,0|2,0,1]=4 3865 B17R1.1242 CCCCCCCCOCCC1CCCNC1 34a_100000752241_100000210759 [0,0,0,1,0,0|3,0,0]=4 3866 B17R1.1242 CCCCCCCNCCCC1CCCCC1 2230a_100000229938_100011713725 [0,0,0,1,0,0|2,0,1]=4 3867 B17R1.1242 CCCCCCCNCCCC1CCCCC1 2230a_100011211642_100000210681 [0,0,0,1,0,0|2,0,1]=4 3868 B17R1.1242 CCCCCCCNCCCC1CCCCC1 34a_100011211642_100000210614 [0,0,0,1,0,0|2,0,1]=4 3869 B17R1.1242 CCCCCCCOCCCC1CCCCN1 34a_100011934581_100000210614 [0,0,0,1,0,0|2,0,1]=4 3870 B17R1.1242 CCCCCCCOCCCC1CCCNC1 34a_100150707839_100000210614 [0,0,0,1,0,0|3,0,0]=4 3871 B17R1.1242 CNCCCCCOCCCC1CCCCC1 34a_100000722520_100011713725 [0,0,0,1,0,0|3,0,0]=4 3872 B17R1.1242 COCCCCCCNCCC1CCCCC1 2230a_100000738074_100011998445 [0,0,0,1,0,0|3,0,0]=4 3873 B17R1.1242 COCCCCCCNCCC1CCCCC1 34a_100000738074_100011998445 [0,0,0,1,0,0|3,0,0]=4 3874 B17R1.1242 COCCCCCCOCCC1CCCCC1 34a_100011217863_100011998445 [0,0,0,1,0,0|3,0,0]=4 3875 B17R1.1242 COCCCCCCOCCC1CCCCC1 34a_200012092642_100011209188 [0,0,0,1,0,0|3,0,0]=4 3876 B17R1.1242 COCCCCCCOCCC1CCCCC1 7a_100011217863_100011998445 [0,0,0,1,0,0|3,0,0]=4 3877 B17R1.1242 COCCCCCCOCCC1CCCCC1 7a_200012092642_100011273959 [0,0,0,1,0,0|3,0,0]=4 3878 B17R1.1242 COCCCCCCSCCC1CCCCC1 62a_100011998445_100012355289 [0,0,0,1,0,0|3,0,0]=4 3879 B17R1.1242 COCCCCCCSCCC1CCCCC1 62a_100012355289_100011998445 [0,0,0,1,0,0|3,0,0]=4 3880 B17R1.1242 COCCCCCNCCCC1CCCCC1 2230a_100000747528_100011713725 [0,0,0,1,0,0|3,0,0]=4 3881 B17R1.1242 COCCCCCNCCCC1CCCCC1 34a_100000747528_100011713725 [0,0,0,1,0,0|3,0,0]=4 3882 B17R1.1242 COCCCCOCCCCC1CCCCC1 34a_100011215267_100000755781 [0,0,0,1,0,0|3,0,0]=4 3883 B17R1.1242 COCCCCOCCCCC1CCCCC1 7a_100011215267_100000730899 [0,0,0,1,0,0|3,0,0]=4 3884 B17R1.1242 FCCCCCCNCCCC1CCCCC1 2230a_100011211642_100015922095 [0,0,0,1,0,0|2,0,1]=4 3885 B17R1.1242 FCCCCCCNCCCC1CCCCC1 34a_100011211642_100015922095 [0,0,0,1,0,0|2,0,1]=4 3886 B17R1.1242 FCCCCCCOCCCC1CCCCC1 34a_100000198086_100015922095 [0,0,0,1,0,0|2,0,1]=4 3887 B17R1.1242 FCCCCCCOCCCC1CCCCC1 34a_100000732779_100011713725 [0,0,0,1,0,0|2,0,1]=4 3888 B17R1.1242 FCCCCCCOCCCC1CCCCC1 7a_100000198086_100015922095 [0,0,0,1,0,0|2,0,1]=4 3889 B17R1.1242 FCCCCCCOCCCC1CCCCC1 7a_100000732779_100011713725 [0,0,0,1,0,0|2,0,1]=4 3890 B17R1.1242 FCCCCCOCCCCC1CCCCC1 34a_100011215267_100000729378 [0,0,0,1,0,0|2,0,1]=4 3891 B17R1.1242 FCCCCCOCCCCC1CCCCC1 7a_100011215267_100000729378 [0,0,0,1,0,0|2,0,1]=4 3892 B17R1.1242 N#CCCCCCCNCCC1CCCCC1 2230a_100000738074_100009813337 [0,0,0,1,0,0|2,0,1]=4 3893 B17R1.1242 N#CCCCCCCOCCC1CCCCC1 7a_100011217863_100009813337 [0,0,0,1,0,0|2,0,1]=4 3894 B17R1.1242 N#CCCCCCNCCCC1CCCCC1 2230a_100011211642_100009813376 [0,0,0,1,0,0|2,0,1]=4 3895 B17R1.1242 N#CCCCCCOCCCC1CCCCC1 7a_100000198086_100009813376 [0,0,0,1,0,0|2,0,1]=4 3896 B17R1.1242 N#CCCCCOCCCCC1CCCCC1 7a_100011215267_100000211819 [0,0,0,1,0,0|2,0,1]=4 3897 B17R1.1242 NCCCCCCCCCOC1CCCCC1 34a_100000078944_100000210327 [0,0,0,1,0,0|2,0,1]=4 3898 B17R1.1242 NCCCCCCCCOCC1CCCCC1 34a_102515433106_100000211423 [0,0,0,1,0,0|2,0,1]=4 3899 B17R1.1242 NCCCCCCCOCCC1CCCCC1 34a_100011996573_100011209188 [0,0,0,1,0,0|2,0,1]=4 3900 B17R1.1242 NCCCCCCOCCCC1CCCCC1 34a_100000686447_100011713725 [0,0,0,1,0,0|2,0,1]=4 3901 B17R1.1242 O=CCCCCCNCCCC1CCCCC1 2230a_100011211642_100000139337 [0,0,0,1,0,0|1,0,0]=2 3902 B17R1.1242 O=CCCCCCOCCCC1CCCCC1 7a_100000198086_100000139337 [0,0,0,1,0,0|1,0,0]=2 3903 B17R1.1242 O=CCCCCCOCCOC1CCCCC1 7a_100011249652_100000139337 [0,0,0,1,0,0|2,0,0]=3 3904 B17R1.1242 O=CCCCCCOCCOC1CCCCO1 7a_100000034223_100000139337 [0,0,0,1,0,0|3,0,0]=4 3905 B17R1.1242 O=CCCCCCSCCCC1CCCCC1 62a_100000139337_100011713725 [0,0,0,1,0,0|1,0,0]=2 3906 B17R1.1242 O=CCCCCCSCCCC1CCCCC1 62a_100011713725_100000139337 [0,0,0,1,0,0|1,0,0]=2 3907 B17R1.1242 O=CCCCCCSCCCN1CCCCC1 62a_100000139337_100000007876 [0,0,0,1,0,0|2,0,0]=3 3908 B17R1.1242 O=CCCCCCSCCCN1CCCCC1 62a_100132302099_100000139337 [0,0,0,1,0,0|2,0,0]=3 3909 B17R1.1242 O=CCCCCCSCCCN1CCOCC1 62a_100000139337_100000748698 [0,0,0,1,0,0|3,0,0]=4 3910 B17R1.1242 O=CCCCCCSCCOC1CCCCC1 62a_100000139337_100011211530 [0,0,0,1,0,0|2,0,0]=3 3911 B17R1.1242 O=CCCCCCSCCOC1CCCCC1 62a_100011211530_100000139337 [0,0,0,1,0,0|2,0,0]=3 3912 B17R1.1242 O=CCCCCCSCCOC1CCCCO1 62a_100000139337_100000744793 [0,0,0,1,0,0|3,0,0]=4 3913 B17R1.1242 O=CCCCCCSCCOC1CCCCO1 62a_100000744793_100000139337 [0,0,0,1,0,0|3,0,0]=4 3914 B17R1.1242 O=CCCCCOCCCCC1CCCCC1 7a_100011215267_100000139335 [0,0,0,1,0,0|1,0,0]=2 3915 B17R1.1242 O=CCCCCSCCCOC1CCCCO1 62a_100000139335_100000700653 [0,0,0,1,0,0|3,0,0]=4 3916 B17R1.1242 O=CCCCCSCCCOC1CCCCO1 62a_100000700653_100000139335 [0,0,0,1,0,0|3,0,0]=4 3917 B17R1.1242 O=CCCCNCCCCCN1CCOCC1 2230a_100015187005_200011292268 [0,0,0,1,0,0|3,0,0]=4 3918 B17R1.1242 O=CCCCOCCCCCN1CCCCC1 7a_100011216611_200011292268 [0,0,0,1,0,0|2,0,0]=3 3919 B17R1.1242 O=CCCCOCCOCCN1CCCCC1 7a_200011409831_200011292268 [0,0,0,1,0,0|3,0,0]=4 3920 B17R1.1242 O=CCCCSCCCCOC1CCCCO1 62a_100000031530_200011292268 [0,0,0,1,0,0|3,0,0]=4 3921 B17R1.1242 O=CCCCSCCCCOC1CCCCO1 62a_200011292268_100000031530 [0,0,0,1,0,0|3,0,0]=4 3922 B17R1.1242 O=CCSCCCCCCOC1CCCCO1 62a_100000033462_200015260668 [0,0,0,1,0,0|3,0,0]=4 3923 B17R1.1242 O=CCSCCCCCCOC1CCCCO1 62a_200015260668_100000033462 [0,0,0,1,0,0|3,0,0]=4 3924 B17R1.1242 OCCCCCCCCCNC1C=CCCC1 2230a_100000078944_100000751183 [0,0,0,1,0,0|3,0,0]=4 3925 B17R1.1242 OCCCCCCCCCNC1CCCCC1 2230a_100000182618_100009813782 [0,0,0,1,0,0|1,0,2]=4 3926 B17R1.1242 OCCCCCCCCCNC1CCCCC1 270004a_100000078944_100000210434 [0,0,0,1,0,0|1,0,2]=4 3927 B17R1.1242 OCCCCCCCCCNC1CCCCC1 34a_100000078944_100000210327 [0,0,0,1,0,0|1,0,2]=4 3928 B17R1.1242 OCCCCCCCCCNC1CCCCC1 34a_100000182618_100009813782 [0,0,0,1,0,0|1,0,2]=4 3929 B17R1.1242 OCCCCCCCCCOC1C=CCCC1 34a_100011215024_100009813782 [0,0,0,1,0,0|3,0,0]=4 3930 B17R1.1242 OCCCCCCCCCOC1CCCCC1 34a_100000210231_100009813782 [0,0,0,1,0,0|1,0,2]=4 3931 B17R1.1242 OCCCCCCCCCOC1CCCCC1 7a_100000210231_100009813782 [0,0,0,1,0,0|1,0,2]=4 3932 B17R1.1242 OCCCCCCCCCSC1C=CCCC1 62a_100000751183_100009813782 [0,0,0,1,0,0|3,0,0]=4 3933 B17R1.1242 OCCCCCCCCCSC1C=CCCC1 62a_100009813782_100000751183 [0,0,0,1,0,0|3,0,0]=4 3934 B17R1.1242 OCCCCCCCCCSC1CCCCC1 62a_100000210327_100009813782 [0,0,0,1,0,0|1,0,2]=4 3935 B17R1.1242 OCCCCCCCCCSC1CCCCC1 62a_100009813782_100000210327 [0,0,0,1,0,0|1,0,2]=4 3936 B17R1.1242 OCCCCCCCCNCC1CCCCC1 2230a_100000210473_100000033203 [0,0,0,1,0,0|1,0,2]=4 3937 B17R1.1242 OCCCCCCCCNCC1CCCCC1 2230a_102515433106_100000211423 [0,0,0,1,0,0|1,0,2]=4 3938 B17R1.1242 OCCCCCCCCNCC1CCCCC1 269862a_102515433106_100000211278 [0,0,0,1,0,0|1,0,2]=4 3939 B17R1.1242 OCCCCCCCCNCC1CCCCC1 34a_100000210473_100000033203 [0,0,0,1,0,0|1,0,2]=4 3940 B17R1.1242 OCCCCCCCCNCC1CCCCC1 34a_102515433106_100000211423 [0,0,0,1,0,0|1,0,2]=4 3941 B17R1.1242 OCCCCCCCCOCC1CCCCC1 34a_100000212181_100000033203 [0,0,0,1,0,0|1,0,2]=4 3942 B17R1.1242 OCCCCCCCCOCC1CCCCC1 7a_100000212181_100000033203 [0,0,0,1,0,0|1,0,2]=4 3943 B17R1.1242 OCCCCCCCCSCC1CCCCC1 62a_100000033203_100000211423 [0,0,0,1,0,0|1,0,2]=4 3944 B17R1.1242 OCCCCCCCCSCC1CCCCC1 62a_100000211423_100000033203 [0,0,0,1,0,0|1,0,2]=4 3945 B17R1.1242 OCCCCCCCNCCC1CCCCC1 2230a_100000738074_100000760002 [0,0,0,1,0,0|1,0,2]=4 3946 B17R1.1242 OCCCCCCCNCCC1CCCCC1 2230a_100011996573_100012355289 [0,0,0,1,0,0|1,0,2]=4 3947 B17R1.1242 OCCCCCCCNCCC1CCCCC1 270004a_100011996573_100011713444 [0,0,0,1,0,0|1,0,2]=4 3948 B17R1.1242 OCCCCCCCNCCC1CCCCC1 34a_100000738074_100000760002 [0,0,0,1,0,0|1,0,2]=4 3949 B17R1.1242 OCCCCCCCNCCC1CCCCC1 34a_100011996573_100011209188 [0,0,0,1,0,0|1,0,2]=4 3950 B17R1.1242 OCCCCCCCOCCC1CCCCC1 34a_100011217863_100000760002 [0,0,0,1,0,0|1,0,2]=4 3951 B17R1.1242 OCCCCCCCOCCC1CCCCC1 7a_100011217863_100000760002 [0,0,0,1,0,0|1,0,2]=4 3952 B17R1.1242 OCCCCCCCSCCC1CCCCC1 62a_100000760002_100012355289 [0,0,0,1,0,0|1,0,2]=4 3953 B17R1.1242 OCCCCCCCSCCC1CCCCC1 62a_100012355289_100000760002 [0,0,0,1,0,0|1,0,2]=4 3954 B17R1.1242 OCCCCCCNCCCC1CCCCC1 2230a_100000686447_100011713725 [0,0,0,1,0,0|1,0,2]=4 3955 B17R1.1242 OCCCCCCNCCCC1CCCCC1 2230a_100011211642_100000766143 [0,0,0,1,0,0|1,0,2]=4 3956 B17R1.1242 OCCCCCCNCCCC1CCCCC1 34a_100000686447_100011713725 [0,0,0,1,0,0|1,0,2]=4 3957 B17R1.1242 OCCCCCCNCCCC1CCCCC1 34a_100011211642_100000766143 [0,0,0,1,0,0|1,0,2]=4 3958 B17R1.1242 OCCCCCCOCCCC1CCCCC1 34a_100000198086_100000766143 [0,0,0,1,0,0|1,0,2]=4 3959 B17R1.1242 OCCCCCCOCCCC1CCCCC1 7a_100000198086_100000766143 [0,0,0,1,0,0|1,0,2]=4 3960 B17R1.1242 OCCCCCCSCCCC1CCCCC1 62a_100000766143_100011713725 [0,0,0,1,0,0|1,0,2]=4 3961 B17R1.1242 OCCCCCCSCCCC1CCCCC1 62a_100011713725_100000766143 [0,0,0,1,0,0|1,0,2]=4 3962 B17R1.1242 OCCCCCOCCCCC1CCCCC1 34a_100011215267_100000746330 [0,0,0,1,0,0|1,0,2]=4 3963 B17R1.1242 OCCCCCOCCCCC1CCCCC1 7a_100011215267_100000746330 [0,0,0,1,0,0|1,0,2]=4 3964 B17R1.1261 C#CCCCCCCOC1CCCCCC1=O 7a_100011217361_100000243696 [0,0,0,1,0,0|1,0,2]=4 3965 B17R1.1261 C#CCCCCCCSC1CCCCCC1=O 62a_100000243696_100012276617 [0,0,0,1,0,0|1,0,2]=4 3966 B17R1.1261 C#CCCCCCCSC1CCCCCC1=O 62a_100012276617_100000243696 [0,0,0,1,0,0|1,0,2]=4 3967 B17R1.1261 C=CCCCCCCOC1CCCCCC1=O 7a_200011216477_100000243696 [0,0,0,1,0,0|1,0,2]=4 3968 B17R1.1261 C=CCCCCCCSC1CCCCCC1=O 62a_100000243696_100011215473 [0,0,0,1,0,0|1,0,2]=4 3969 B17R1.1261 C=CCCCCCCSC1CCCCCC1=O 62a_100011215473_100000243696 [0,0,0,1,0,0|1,0,2]=4 3970 B17R1.1261 CC/C=C\CCCCOC1CCCCCC1=O 7a_100016287862_100000243696 [0,0,0,1,0,0|1,0,2]=4 3971 B17R1.1261 CCCC/C=C\CCOC1CCCCCC1=O 7a_200016286491_100000243696 [0,0,0,1,0,0|1,0,2]=4 3972 B17R1.1261 CCCCC#CCCOC1CCCCCC1=O 7a_100000037610_100000243696 [0,0,0,1,0,0|1,0,2]=4 3973 B17R1.1261 CCCCC/C=C/COC1CCCCCC1=O 7a_100016258190_100000243696 [0,0,0,1,0,0|1,0,2]=4 3974 B17R1.1261 CCCCCC#CCOC1CCCCCC1=O 7a_200000033628_100000243696 [0,0,0,1,0,0|1,0,2]=4 3975 B17R1.1261 CCCCCC#CCSC1CCCCCC1=O 62a_100000243696_100009816472 [0,0,0,1,0,0|1,0,2]=4 3976 B17R1.1261 CCCCCC#CCSC1CCCCCC1=O 62a_100009816472_100000243696 [0,0,0,1,0,0|1,0,2]=4 3977 B17R1.1261 CCCCCCCCNC1CCCCNC1=O 2230a_100000229939_100000735217 [0,0,0,1,0,0|2,0,0]=3 3978 B17R1.1261 CCCCCCCCNC1CCCCNC1=O 2230a_100000698827_100000210759 [0,0,0,1,0,0|2,0,0]=3 3979 B17R1.1261 CCCCCCCCNC1CCCCNC1=O 34a_100000698827_100000210759 [0,0,0,1,0,0|2,0,0]=3 3980 B17R1.1261 CCCCCCCCOC1CCCCCC1=O 7a_100000210232_100000243696 [0,0,0,1,0,0|1,0,0]=2 3981 B17R1.1261 CCCCCCCCOC1CCCCNC1=O 7a_100000210232_100000735217 [0,0,0,1,0,0|2,0,0]=3 3982 B17R1.1261 CCCCCCCCSC1CCCCCC1=O 62a_100000210759_100000243696 [0,0,0,1,0,0|1,0,0]=2 3983 B17R1.1261 CCCCCCCCSC1CCCCCC1=O 62a_100000243696_100000210317 [0,0,0,1,0,0|1,0,0]=2 3984 B17R1.1261 CCCCCCCCSC1CCCCNC1=O 62a_100000210759_100000735217 [0,0,0,1,0,0|2,0,0]=3 3985 B17R1.1261 CCCCCCCCSC1CCCCNC1=O 62a_100000735217_100000210317 [0,0,0,1,0,0|2,0,0]=3 3986 B17R1.1261 CCCCCNCCCN1CCCCCC1=O 2230a_100000195386_100000210326 [0,0,0,1,0,0|2,0,0]=3 3987 B17R1.1261 CCCCCNCCCN1CCCCCC1=O 34a_100000195386_100000718602 [0,0,0,1,0,0|2,0,0]=3 3988 B17R1.1261 CCCCCOCCOC1CCCCCC1=O 7a_100011215259_100000243696 [0,0,0,1,0,0|2,0,0]=3 3989 B17R1.1261 CCCCCOCCOC1CCCCNC1=O 7a_100011215259_100000735217 [0,0,0,1,0,0|3,0,0]=4 3990 B17R1.1261 CCCCOCCCNC1CCCCNC1=O 2230a_200000211371_100000735217 [0,0,0,1,0,0|3,0,0]=4 3991 B17R1.1261 CCCCOCCCOC1CCCCCC1=O 7a_200011215613_100000243696 [0,0,0,1,0,0|2,0,0]=3 3992 B17R1.1261 CCCCOCCCOC1CCCCNC1=O 7a_200011215613_100000735217 [0,0,0,1,0,0|3,0,0]=4 3993 B17R1.1261 CCOCCNCCCN1CCCCCC1=O 2230a_100000195386_100011215890 [0,0,0,1,0,0|3,0,0]=4 3994 B17R1.1261 CCOCCNCCCN1CCCCCC1=O 34a_100000195386_100000210147 [0,0,0,1,0,0|3,0,0]=4 3995 B17R1.1261 CCOCCOCCOC1CCCCCC1=O 7a_100000210240_100000243696 [0,0,0,1,0,0|3,0,0]=4 3996 B17R1.1261 CCOCCOCCSC1CCCCCC1=O 62a_100000243696_100011211534 [0,0,0,1,0,0|3,0,0]=4 3997 B17R1.1261 CCOCCOCCSC1CCCCCC1=O 62a_100011211534_100000243696 [0,0,0,1,0,0|3,0,0]=4 3998 B17R1.1261 CCSCCNCCCN1CCCCCC1=O 2230a_100000195386_100000757381 [0,0,0,1,0,0|3,0,0]=4 3999 B17R1.1261 CCSCCNCCCN1CCCCCC1=O 34a_100000195386_100000757381 [0,0,0,1,0,0|3,0,0]=4 4000 B17R1.1261 COCCCCCCNC1CCCCNC1=O 2230a_100000698827_100011998445 [0,0,0,1,0,0|3,0,0]=4 4001 B17R1.1261 COCCCCCCNC1CCCCNC1=O 34a_100000698827_100011998445 [0,0,0,1,0,0|3,0,0]=4 4002 B17R1.1261 COCCCCCCOC1CCCCCC1=O 7a_200012092642_100000243696 [0,0,0,1,0,0|2,0,0]=3 4003 B17R1.1261 COCCCCCCOC1CCCCNC1=O 7a_200012092642_100000735217 [0,0,0,1,0,0|3,0,0]=4 4004 B17R1.1261 COCCCCCCSC1CCCCCC1=O 62a_100000243696_100011998445 [0,0,0,1,0,0|2,0,0]=3 4005 B17R1.1261 COCCCCCCSC1CCCCCC1=O 62a_100011998445_100000243696 [0,0,0,1,0,0|2,0,0]=3 4006 B17R1.1261 COCCCCCCSC1CCCCNC1=O 62a_100000735217_100011998445 [0,0,0,1,0,0|3,0,0]=4 4007 B17R1.1261 COCCCCCCSC1CCCCNC1=O 62a_100011998445_100000735217 [0,0,0,1,0,0|3,0,0]=4 4008 B17R1.1261 COCCCNCCCN1CCCCCC1=O 2230a_100000195386_100000740836 [0,0,0,1,0,0|3,0,0]=4 4009 B17R1.1261 COCCCNCCCN1CCCCCC1=O 34a_100000195386_100000740836 [0,0,0,1,0,0|3,0,0]=4 4010 B17R1.1261 COCCOCCCSC1CCCCCC1=O 62a_100000243696_100011216529 [0,0,0,1,0,0|3,0,0]=4 4011 B17R1.1261 COCCOCCCSC1CCCCCC1=O 62a_100011216529_100000243696 [0,0,0,1,0,0|3,0,0]=4 4012 B17R1.1261 N#CCCCCCCSC1CCCCCC1=O 62a_100000243696_100009813337 [0,0,0,1,0,0|2,0,1]=4 4013 B17R1.1261 N#CCCCCCCSC1CCCCCC1=O 62a_100009813337_100000243696 [0,0,0,1,0,0|2,0,1]=4 4014 B17R1.1261 O=C1CCCCCC1OCCCCCCCBr 7a_100000760002_100000243696 [0,0,0,1,0,0|2,0,0]=3 4015 B17R1.1261 O=C1CCCCCC1SCCCCCCCO 62a_100000243696_100000760002 [0,0,0,1,0,0|2,0,0]=3 4016 B17R1.1261 O=C1CCCCCC1SCCCCCCCO 62a_100000760002_100000243696 [0,0,0,1,0,0|2,0,0]=3 4017 B17R1.1261 O=C1CCCCCN1CCCNCCCCF 2230a_100000195386_100000729493 [0,0,0,1,0,0|3,0,0]=4 4018 B17R1.1261 O=C1CCCCCN1CCCNCCCCF 34a_100000195386_100000729493 [0,0,0,1,0,0|3,0,0]=4 4019 B17R1.1261 O=C1CCCCCN1CCCNCCCCO 2230a_100000195386_100000210776 [0,0,0,1,0,0|3,0,0]=4 4020 B17R1.1261 O=C1CCCCCN1CCCNCCCCO 34a_100000195386_100011216708 [0,0,0,1,0,0|3,0,0]=4 4021 B17R1.1261 O=C1NCCCCC1NCCCCCCCO 2230a_100000698827_100000760002 [0,0,0,1,0,0|3,0,0]=4 4022 B17R1.1261 O=C1NCCCCC1NCCCCCCCO 2230a_100011996573_100000735217 [0,0,0,1,0,0|3,0,0]=4 4023 B17R1.1261 O=C1NCCCCC1NCCCCCCCO 34a_100000698827_100000760002 [0,0,0,1,0,0|3,0,0]=4 4024 B17R1.1261 O=C1NCCCCC1OCCCCCCCBr 7a_100000760002_100000735217 [0,0,0,1,0,0|3,0,0]=4 4025 B17R1.1261 O=C1NCCCCC1SCCCCCCCO 62a_100000735217_100000760002 [0,0,0,1,0,0|3,0,0]=4 4026 B17R1.1261 O=C1NCCCCC1SCCCCCCCO 62a_100000760002_100000735217 [0,0,0,1,0,0|3,0,0]=4 4027 B17R1.1425 C#CCCCCCCCCCOC1CCCC1 34a_100000034437_100000179811 [0,0,0,1,0,0|2,0,1]=4 4028 B17R1.1425 C#CCCCCCCCCCOC1CCCC1 7a_100000034437_100000179811 [0,0,0,1,0,0|2,0,1]=4 4029 B17R1.1425 C#CCCCCCCCCOCC1CCCC1 34a_100000065265_100000740388 [0,0,0,1,0,0|2,0,1]=4 4030 B17R1.1425 C#CCCCCCCCCOCC1CCCC1 7a_100000065265_100000740388 [0,0,0,1,0,0|2,0,1]=4 4031 B17R1.1425 C#CCCCCCCCNCCC1CCCC1 2230a_100000739158_100153394163 [0,0,0,1,0,0|2,0,1]=4 4032 B17R1.1425 C#CCCCCCCCNCCC1CCCC1 34a_100000739158_100153394163 [0,0,0,1,0,0|2,0,1]=4 4033 B17R1.1425 C#CCCCCCCCOCCC1CCCC1 34a_100000054614_100000760354 [0,0,0,1,0,0|2,0,1]=4 4034 B17R1.1425 C#CCCCCCCCOCCC1CCCC1 34a_100000749090_100153394163 [0,0,0,1,0,0|2,0,1]=4 4035 B17R1.1425 C#CCCCCCCCOCCC1CCCC1 7a_100000054614_100000760354 [0,0,0,1,0,0|2,0,1]=4 4036 B17R1.1425 C#CCCCCCCCOCCC1CCCC1 7a_100000749090_100153394163 [0,0,0,1,0,0|2,0,1]=4 4037 B17R1.1425 C#CCCCCCCNCCCC1CCCC1 2230a_100000736752_100012276617 [0,0,0,1,0,0|2,0,1]=4 4038 B17R1.1425 C#CCCCCCCNCCCC1CCCC1 34a_100000736752_100012276617 [0,0,0,1,0,0|2,0,1]=4 4039 B17R1.1425 C#CCCCCCCOCCCC1CCCC1 34a_100011215328_100012276617 [0,0,0,1,0,0|2,0,1]=4 4040 B17R1.1425 C#CCCCCCCOCCCC1CCCC1 34a_100011217361_100011713738 [0,0,0,1,0,0|2,0,1]=4 4041 B17R1.1425 C#CCCCCCCOCCCC1CCCC1 7a_100011215328_100012276617 [0,0,0,1,0,0|2,0,1]=4 4042 B17R1.1425 C#CCCCCCCOCCCC1CCCC1 7a_100011217361_100011713738 [0,0,0,1,0,0|2,0,1]=4 4043 B17R1.1425 C=CCCCCCCCCCCN1CCCC1 2230a_100000188435_100011093070 [0,0,0,1,0,0|2,0,0]=3 4044 B17R1.1425 C=CCCCCCCCCCCN1CCCC1 269982a_100000188435_100011093070 [0,0,0,1,0,0|2,0,0]=3 4045 B17R1.1425 C=CCCCCCCCCCCN1CCSC1 2230a_100011215254_100011093070 [0,0,0,1,0,0|3,0,0]=4 4046 B17R1.1425 C=CCCCCCCCCCCN1CCSC1 269982a_100011215254_100011093070 [0,0,0,1,0,0|3,0,0]=4 4047 B17R1.1425 C=CCCCCCCCCCNC1CCCC1 2230a_100000081888_100000179811 [0,0,0,1,0,0|2,0,0]=3 4048 B17R1.1425 C=CCCCCCCCCCNC1CCCC1 2230a_100000211070_100009814027 [0,0,0,1,0,0|2,0,0]=3 4049 B17R1.1425 C=CCCCCCCCCCNC1CCCC1 270004a_100000081888_100000210133 [0,0,0,1,0,0|2,0,0]=3 4050 B17R1.1425 C=CCCCCCCCCCNC1CCCC1 34a_100000081888_100000179811 [0,0,0,1,0,0|2,0,0]=3 4051 B17R1.1425 C=CCCCCCCCCCNC1CCCC1 34a_100000211070_100009814027 [0,0,0,1,0,0|2,0,0]=3 4052 B17R1.1425 C=CCCCCCCCCCNC1CCOC1 2230a_100000081888_100000731011 [0,0,0,1,0,0|3,0,0]=4 4053 B17R1.1425 C=CCCCCCCCCCNC1CCOC1 270004a_100000081888_100000752484 [0,0,0,1,0,0|3,0,0]=4 4054 B17R1.1425 C=CCCCCCCCCCNC1CCOC1 34a_100000081888_100000690089 [0,0,0,1,0,0|3,0,0]=4 4055 B17R1.1425 C=CCCCCCCCCCNC1CCSC1 270004a_100000081888_100000212027 [0,0,0,1,0,0|3,0,0]=4 4056 B17R1.1425 C=CCCCCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100009814027 [0,0,0,1,0,0|3,0,0]=4 4057 B17R1.1425 C=CCCCCCCCCCN[C@H]1CCOC1 2230a_100015188467_100009814027 [0,0,0,1,0,0|3,0,0]=4 4058 B17R1.1425 C=CCCCCCCCCCN[C@H]1CCOC1 34a_100015188467_100009814027 [0,0,0,1,0,0|3,0,0]=4 4059 B17R1.1425 C=CCCCCCCCCCOC1CCCO1 34a_100000085407_100009814027 [0,0,0,1,0,0|3,0,0]=4 4060 B17R1.1425 C=CCCCCCCCCCOC1CCOC1 34a_100000038209_100000690089 [0,0,0,1,0,0|3,0,0]=4 4061 B17R1.1425 C=CCCCCCCCCCOC1CCOC1 7a_100000038209_100000731011 [0,0,0,1,0,0|3,0,0]=4 4062 B17R1.1425 C=CCCCCCCCCCOC1CCSC1 7a_100011232664_100009814027 [0,0,0,1,0,0|3,0,0]=4 4063 B17R1.1425 C=CCCCCCCCCCO[C@H]1CCOC1 34a_100000717292_100009814027 [0,0,0,1,0,0|3,0,0]=4 4064 B17R1.1425 C=CCCCCCCCCCSC1CCOC1 62a_100009814027_100000690089 [0,0,0,1,0,0|3,0,0]=4 4065 B17R1.1425 C=CCCCCCCCCNCC1CCCC1 2230a_100000737975_100011933949 [0,0,0,1,0,0|2,0,0]=3 4066 B17R1.1425 C=CCCCCCCCCNCC1CCCC1 34a_100000737975_100011933949 [0,0,0,1,0,0|2,0,0]=3 4067 B17R1.1425 C=CCCCCCCCCNCC1CCOC1 2230a_100000737293_100011933949 [0,0,0,1,0,0|3,0,0]=4 4068 B17R1.1425 C=CCCCCCCCCNCC1CCOC1 34a_100000737293_100011933949 [0,0,0,1,0,0|3,0,0]=4 4069 B17R1.1425 C=CCCCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100011933949 [0,0,0,1,0,0|3,0,0]=4 4070 B17R1.1425 C=CCCCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100011933949 [0,0,0,1,0,0|3,0,0]=4 4071 B17R1.1425 C=CCCCCCCCCOCC1CCCO1 34a_100000210270_100011933949 [0,0,0,1,0,0|3,0,0]=4 4072 B17R1.1425 C=CCCCCCCCCOCC1CCCO1 7a_100000210270_100011933949 [0,0,0,1,0,0|3,0,0]=4 4073 B17R1.1425 C=CCCCCCCCCOCC1CCCO1 7a_100011215194_100000203698 [0,0,0,1,0,0|3,0,0]=4 4074 B17R1.1425 C=CCCCCCCCCOCC1CCNC1 34a_100000748654_100011933949 [0,0,0,1,0,0|3,0,0]=4 4075 B17R1.1425 C=CCCCCCCCCOCC1CCOC1 34a_100000740260_100011933949 [0,0,0,1,0,0|3,0,0]=4 4076 B17R1.1425 C=CCCCCCCCCOCC1CCOC1 34a_100011215194_100011261433 [0,0,0,1,0,0|3,0,0]=4 4077 B17R1.1425 C=CCCCCCCCCOCC1CCOC1 7a_100011215194_100000702531 [0,0,0,1,0,0|3,0,0]=4 4078 B17R1.1425 C=CCCCCCCCCOC[C@H]1CCCN1 34a_100000745186_100011933949 [0,0,0,1,0,0|3,0,0]=4 4079 B17R1.1425 C=CCCCCCCCCSCC1CCCO1 62a_100000203698_100011933949 [0,0,0,1,0,0|3,0,0]=4 4080 B17R1.1425 C=CCCCCCCCCSCC1CCCO1 62a_100011933949_100000203698 [0,0,0,1,0,0|3,0,0]=4 4081 B17R1.1425 C=CCCCCCCCCSCC1CCOC1 62a_100000702531_100011933949 [0,0,0,1,0,0|3,0,0]=4 4082 B17R1.1425 C=CCCCCCCCCSCC1CCOC1 62a_100011933949_100000702531 [0,0,0,1,0,0|3,0,0]=4 4083 B17R1.1425 C=CCCCCCCCNCCC1CCCC1 2230a_100000739158_100012355270 [0,0,0,1,0,0|2,0,0]=3 4084 B17R1.1425 C=CCCCCCCCNCCC1CCCC1 34a_100000739158_100012355270 [0,0,0,1,0,0|2,0,0]=3 4085 B17R1.1425 C=CCCCCCCCOCCC1CCNC1 34a_100016987287_100012355270 [0,0,0,1,0,0|3,0,0]=4 4086 B17R1.1425 C=CCCCCCCCOCCC1CCOC1 34a_100011879284_100012355270 [0,0,0,1,0,0|3,0,0]=4 4087 B17R1.1425 C=CCCCCCCCOCCN1CCCC1 7a_100000730831_100000004467 [0,0,0,1,0,0|3,0,0]=4 4088 B17R1.1425 C=CCCCCCCCSCCN1CCCC1 62a_100000700749_100012355270 [0,0,0,1,0,0|3,0,0]=4 4089 B17R1.1425 C=CCCCCCCCSCCN1CCCC1 62a_100012355270_100000004467 [0,0,0,1,0,0|3,0,0]=4 4090 B17R1.1425 C=CCCCCCCNCCCC1CCCC1 2230a_100000736752_100011215473 [0,0,0,1,0,0|2,0,0]=3 4091 B17R1.1425 C=CCCCCCCNCCCC1CCCC1 34a_100000736752_100011215473 [0,0,0,1,0,0|2,0,0]=3 4092 B17R1.1425 C=CCCCCCCNCCOC1CCCC1 34a_100000741755_100011215473 [0,0,0,1,0,0|3,0,0]=4 4093 B17R1.1425 C=CCCCCCCOCCCN1CCCC1 34a_200011216477_100016991639 [0,0,0,1,0,0|3,0,0]=4 4094 B17R1.1425 C=CCCCCCCOCCCN1CCCC1 7a_200011216477_100011445909 [0,0,0,1,0,0|3,0,0]=4 4095 B17R1.1425 C=CCCCCCCOCCNC1CCCC1 34a_200000200444_100011215473 [0,0,0,1,0,0|3,0,0]=4 4096 B17R1.1425 C=CCCCCCCOCCOC1CCCC1 34a_100000738311_100011215473 [0,0,0,1,0,0|3,0,0]=4 4097 B17R1.1425 C=CCCCCCCOCCOC1CCCC1 7a_100000738311_100011215473 [0,0,0,1,0,0|3,0,0]=4 4098 B17R1.1425 C=CCCCCCCSCCCN1CCCC1 62a_100011215473_100011445909 [0,0,0,1,0,0|3,0,0]=4 4099 B17R1.1425 C=CCCCCCCSCCCN1CCCC1 62a_100016991639_100011215473 [0,0,0,1,0,0|3,0,0]=4 4100 B17R1.1425 C=CCCCCCNCCCOC1CCCC1 34a_100000747560_100000700193 [0,0,0,1,0,0|3,0,0]=4 4101 B17R1.1425 CCCCCCCCCCCCN1CC=CC1 269982a_100015195280_100000759014 [0,0,0,1,0,0|2,0,1]=4 4102 B17R1.1425 CCCCCCCCCCCCN1CCSC1 2230a_100011215254_100011215052 [0,0,0,1,0,0|3,0,0]=4 4103 B17R1.1425 CCCCCCCCCCCCN1CCSC1 269982a_100011215254_100000759014 [0,0,0,1,0,0|3,0,0]=4 4104 B17R1.1425 CCCCCCCCCCCCN1CCSC1 270004a_100011215254_100011218549 [0,0,0,1,0,0|3,0,0]=4 4105 B17R1.1425 CCCCCCCCCCCNC1CC=CC1 2230a_100015188752_100011215454 [0,0,0,1,0,0|2,0,1]=4 4106 B17R1.1425 CCCCCCCCCCCNC1CCOC1 2230a_200011215754_100000731011 [0,0,0,1,0,0|3,0,0]=4 4107 B17R1.1425 CCCCCCCCCCCNC1CCOC1 270004a_200011215754_100000752484 [0,0,0,1,0,0|3,0,0]=4 4108 B17R1.1425 CCCCCCCCCCCNC1CCOC1 34a_200011215754_100000690089 [0,0,0,1,0,0|3,0,0]=4 4109 B17R1.1425 CCCCCCCCCCCNC1CCSC1 270004a_200011215754_100000212027 [0,0,0,1,0,0|3,0,0]=4 4110 B17R1.1425 CCCCCCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100011215454 [0,0,0,1,0,0|3,0,0]=4 4111 B17R1.1425 CCCCCCCCCCCN[C@H]1CCOC1 2230a_100015188467_100011215454 [0,0,0,1,0,0|3,0,0]=4 4112 B17R1.1425 CCCCCCCCCCCN[C@H]1CCOC1 34a_100015188467_100011215454 [0,0,0,1,0,0|3,0,0]=4 4113 B17R1.1425 CCCCCCCCCCCOC1CCCO1 34a_100000085407_100011215454 [0,0,0,1,0,0|1,0,2]=4 4114 B17R1.1425 CCCCCCCCCCCOC1CCOC1 34a_100000210809_100000690089 [0,0,0,1,0,0|3,0,0]=4 4115 B17R1.1425 CCCCCCCCCCCOC1CCOC1 7a_100000210809_100000731011 [0,0,0,1,0,0|3,0,0]=4 4116 B17R1.1425 CCCCCCCCCCCO[C@H]1CCOC1 34a_100000717292_100011215454 [0,0,0,1,0,0|3,0,0]=4 4117 B17R1.1425 CCCCCCCCCCNCC1CCCC1 2230a_100000684558_100000740388 [0,0,0,1,0,0|2,0,1]=4 4118 B17R1.1425 CCCCCCCCCCNCC1CCCC1 2230a_100000737975_100000210320 [0,0,0,1,0,0|2,0,1]=4 4119 B17R1.1425 CCCCCCCCCCNCC1CCCC1 269862a_100000684558_100000746403 [0,0,0,1,0,0|2,0,1]=4 4120 B17R1.1425 CCCCCCCCCCNCC1CCCC1 34a_100000684558_100000740388 [0,0,0,1,0,0|2,0,1]=4 4121 B17R1.1425 CCCCCCCCCCNCC1CCCC1 34a_100000737975_100000210320 [0,0,0,1,0,0|2,0,1]=4 4122 B17R1.1425 CCCCCCCCCCNCC1CCCO1 2230a_100000684558_100000203698 [0,0,0,1,0,0|1,0,2]=4 4123 B17R1.1425 CCCCCCCCCCNCC1CCOC1 2230a_100000684558_100000702531 [0,0,0,1,0,0|3,0,0]=4 4124 B17R1.1425 CCCCCCCCCCNCC1CCOC1 2230a_100000737293_100000210320 [0,0,0,1,0,0|3,0,0]=4 4125 B17R1.1425 CCCCCCCCCCNCC1CCOC1 34a_100000684558_100011261433 [0,0,0,1,0,0|3,0,0]=4 4126 B17R1.1425 CCCCCCCCCCNCC1CCOC1 34a_100000737293_100000210320 [0,0,0,1,0,0|3,0,0]=4 4127 B17R1.1425 CCCCCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210320 [0,0,0,1,0,0|1,0,2]=4 4128 B17R1.1425 CCCCCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210320 [0,0,0,1,0,0|1,0,2]=4 4129 B17R1.1425 CCCCCCCCCCOCC1CCCO1 34a_100000210270_100000210320 [0,0,0,1,0,0|1,0,2]=4 4130 B17R1.1425 CCCCCCCCCCOCC1CCCO1 7a_100000210270_100000210320 [0,0,0,1,0,0|1,0,2]=4 4131 B17R1.1425 CCCCCCCCCCOCC1CCCO1 7a_100000210711_100000203698 [0,0,0,1,0,0|1,0,2]=4 4132 B17R1.1425 CCCCCCCCCCOCC1CCNC1 34a_100000748654_100000210320 [0,0,0,1,0,0|3,0,0]=4 4133 B17R1.1425 CCCCCCCCCCOCC1CCOC1 34a_100000210711_100011261433 [0,0,0,1,0,0|3,0,0]=4 4134 B17R1.1425 CCCCCCCCCCOCC1CCOC1 34a_100000740260_100000210320 [0,0,0,1,0,0|3,0,0]=4 4135 B17R1.1425 CCCCCCCCCCOCC1CCOC1 7a_100000210711_100000702531 [0,0,0,1,0,0|3,0,0]=4 4136 B17R1.1425 CCCCCCCCCCOC[C@H]1CCCN1 34a_100000745186_100000210320 [0,0,0,1,0,0|2,0,1]=4 4137 B17R1.1425 CCCCCCCCCCSCC1CCOC1 62a_100000702531_100000210320 [0,0,0,1,0,0|3,0,0]=4 4138 B17R1.1425 CCCCCCCCCNCCC1CCCC1 2230a_100000212291_100000760354 [0,0,0,1,0,0|2,0,1]=4 4139 B17R1.1425 CCCCCCCCCNCCC1CCCC1 2230a_100000739158_100011214924 [0,0,0,1,0,0|2,0,1]=4 4140 B17R1.1425 CCCCCCCCCNCCC1CCCC1 34a_100000212291_100000760354 [0,0,0,1,0,0|2,0,1]=4 4141 B17R1.1425 CCCCCCCCCNCCC1CCCC1 34a_100000739158_100011214924 [0,0,0,1,0,0|2,0,1]=4 4142 B17R1.1425 CCCCCCCCCOCCC1CCNC1 34a_100016987287_100011214924 [0,0,0,1,0,0|3,0,0]=4 4143 B17R1.1425 CCCCCCCCCOCCC1CCOC1 34a_100011879284_100011214924 [0,0,0,1,0,0|3,0,0]=4 4144 B17R1.1425 CCCCCCCCNCCCC1CCCC1 2230a_100000229939_100011713738 [0,0,0,1,0,0|2,0,1]=4 4145 B17R1.1425 CCCCCCCCNCCCC1CCCC1 2230a_100000736752_100000210759 [0,0,0,1,0,0|2,0,1]=4 4146 B17R1.1425 CCCCCCCCNCCCC1CCCC1 34a_100000229939_100011713738 [0,0,0,1,0,0|2,0,1]=4 4147 B17R1.1425 CCCCCCCCNCCCC1CCCC1 34a_100000736752_100000210759 [0,0,0,1,0,0|2,0,1]=4 4148 B17R1.1425 COCCCCCCNCCCC1CCCC1 2230a_100000736752_100011998445 [0,0,0,1,0,0|3,0,0]=4 4149 B17R1.1425 COCCCCCCNCCCC1CCCC1 34a_100000736752_100011998445 [0,0,0,1,0,0|3,0,0]=4 4150 B17R1.1425 COCCCCCCOCCCC1CCCC1 34a_100011215328_100011998445 [0,0,0,1,0,0|3,0,0]=4 4151 B17R1.1425 COCCCCCCOCCCC1CCCC1 34a_200012092642_100011713738 [0,0,0,1,0,0|3,0,0]=4 4152 B17R1.1425 COCCCCCCOCCCC1CCCC1 7a_100011215328_100011998445 [0,0,0,1,0,0|3,0,0]=4 4153 B17R1.1425 COCCCCCCOCCCC1CCCC1 7a_200012092642_100011713738 [0,0,0,1,0,0|3,0,0]=4 4154 B17R1.1425 COCCCCCCSCCCC1CCCC1 62a_100011713738_100011998445 [0,0,0,1,0,0|3,0,0]=4 4155 B17R1.1425 COCCCCCCSCCCC1CCCC1 62a_100011998445_100011713738 [0,0,0,1,0,0|3,0,0]=4 4156 B17R1.1425 N#CCCCCCCNCCCC1CCCC1 2230a_100000736752_100009813337 [0,0,0,1,0,0|2,0,1]=4 4157 B17R1.1425 N#CCCCCCCOCCCC1CCCC1 7a_100011215328_100009813337 [0,0,0,1,0,0|2,0,1]=4 4158 B17R1.1425 NCCCCCCCCCCOC1CCCC1 34a_100000066964_100000179811 [0,0,0,1,0,0|2,0,1]=4 4159 B17R1.1425 NCCCCCCCCCOCC1CCCC1 34a_100000078944_100000740388 [0,0,0,1,0,0|2,0,1]=4 4160 B17R1.1425 NCCCCCCCCOCCC1CCCC1 34a_102515433106_100000760354 [0,0,0,1,0,0|2,0,1]=4 4161 B17R1.1425 NCCCCCCCOCCCC1CCCC1 34a_100011996573_100011713738 [0,0,0,1,0,0|2,0,1]=4 4162 B17R1.1425 O=CCCCCCSCCCCC1OCCO1 62a_100000139337_100000034956 [0,0,0,1,0,0|3,0,0]=4 4163 B17R1.1425 O=CCCCCOCCCCOC1CCCO1 7a_100011018183_100000139335 [0,0,0,1,0,0|3,0,0]=4 4164 B17R1.1425 OCCCCCCCCCCCN1CCCC1 2230a_100000188435_100009812471 [0,0,0,1,0,0|1,0,2]=4 4165 B17R1.1425 OCCCCCCCCCCCN1CCCC1 269982a_100000188435_100009812471 [0,0,0,1,0,0|1,0,2]=4 4166 B17R1.1425 OCCCCCCCCCCNC1CCCC1 2230a_100000066964_100000179811 [0,0,0,1,0,0|1,0,2]=4 4167 B17R1.1425 OCCCCCCCCCCNC1CCCC1 2230a_100000211070_100009813290 [0,0,0,1,0,0|1,0,2]=4 4168 B17R1.1425 OCCCCCCCCCCNC1CCCC1 270004a_100000066964_100000210133 [0,0,0,1,0,0|1,0,2]=4 4169 B17R1.1425 OCCCCCCCCCCNC1CCCC1 34a_100000066964_100000179811 [0,0,0,1,0,0|1,0,2]=4 4170 B17R1.1425 OCCCCCCCCCCNC1CCCC1 34a_100000211070_100009813290 [0,0,0,1,0,0|1,0,2]=4 4171 B17R1.1425 OCCCCCCCCCCOC1CCCC1 34a_100000210269_100009813290 [0,0,0,1,0,0|1,0,2]=4 4172 B17R1.1425 OCCCCCCCCCCOC1CCCC1 7a_100000210269_100009813290 [0,0,0,1,0,0|1,0,2]=4 4173 B17R1.1425 OCCCCCCCCCCSC1CCCC1 62a_100009813290_100000179811 [0,0,0,1,0,0|1,0,2]=4 4174 B17R1.1425 OCCCCCCCCCCSC1CCCC1 62a_100011217020_200000033068 [0,0,0,1,0,0|1,0,2]=4 4175 B17R1.1425 OCCCCCCCCCNCC1CCCC1 2230a_100000078944_100000740388 [0,0,0,1,0,0|1,0,2]=4 4176 B17R1.1425 OCCCCCCCCCNCC1CCCC1 2230a_100000737975_100009813782 [0,0,0,1,0,0|1,0,2]=4 4177 B17R1.1425 OCCCCCCCCCNCC1CCCC1 269862a_100000078944_100000746403 [0,0,0,1,0,0|1,0,2]=4 4178 B17R1.1425 OCCCCCCCCCNCC1CCCC1 34a_100000078944_100000740388 [0,0,0,1,0,0|1,0,2]=4 4179 B17R1.1425 OCCCCCCCCCNCC1CCCC1 34a_100000737975_100009813782 [0,0,0,1,0,0|1,0,2]=4 4180 B17R1.1425 OCCCCCCCCCOCC1CCCC1 34a_100000742336_100009813782 [0,0,0,1,0,0|1,0,2]=4 4181 B17R1.1425 OCCCCCCCCCOCC1CCCC1 7a_100000742336_100009813782 [0,0,0,1,0,0|1,0,2]=4 4182 B17R1.1425 OCCCCCCCCCSCC1CCCC1 62a_100000740388_100009813782 [0,0,0,1,0,0|1,0,2]=4 4183 B17R1.1425 OCCCCCCCCCSCC1CCCC1 62a_100009813782_100000740388 [0,0,0,1,0,0|1,0,2]=4 4184 B17R1.1425 OCCCCCCCCNCCC1CCCC1 2230a_100000739158_100000033203 [0,0,0,1,0,0|1,0,2]=4 4185 B17R1.1425 OCCCCCCCCNCCC1CCCC1 2230a_102515433106_100000760354 [0,0,0,1,0,0|1,0,2]=4 4186 B17R1.1425 OCCCCCCCCNCCC1CCCC1 34a_100000739158_100000033203 [0,0,0,1,0,0|1,0,2]=4 4187 B17R1.1425 OCCCCCCCCNCCC1CCCC1 34a_102515433106_100000760354 [0,0,0,1,0,0|1,0,2]=4 4188 B17R1.1425 OCCCCCCCCOCCC1CCCC1 34a_100000749090_100000033203 [0,0,0,1,0,0|1,0,2]=4 4189 B17R1.1425 OCCCCCCCCOCCC1CCCC1 7a_100000749090_100000033203 [0,0,0,1,0,0|1,0,2]=4 4190 B17R1.1425 OCCCCCCCCSCCC1CCCC1 62a_100000033203_100000760354 [0,0,0,1,0,0|1,0,2]=4 4191 B17R1.1425 OCCCCCCCCSCCC1CCCC1 62a_100000760354_100000033203 [0,0,0,1,0,0|1,0,2]=4 4192 B17R1.1425 OCCCCCCCNCCCC1CCCC1 2230a_100000736752_100000760002 [0,0,0,1,0,0|1,0,2]=4 4193 B17R1.1425 OCCCCCCCNCCCC1CCCC1 2230a_100011996573_100011713738 [0,0,0,1,0,0|1,0,2]=4 4194 B17R1.1425 OCCCCCCCNCCCC1CCCC1 34a_100000736752_100000760002 [0,0,0,1,0,0|1,0,2]=4 4195 B17R1.1425 OCCCCCCCNCCCC1CCCC1 34a_100011996573_100011713738 [0,0,0,1,0,0|1,0,2]=4 4196 B17R1.1425 OCCCCCCCOCCCC1CCCC1 34a_100011215328_100000760002 [0,0,0,1,0,0|1,0,2]=4 4197 B17R1.1425 OCCCCCCCOCCCC1CCCC1 7a_100011215328_100000760002 [0,0,0,1,0,0|1,0,2]=4 4198 B17R1.1425 OCCCCCCCSCCCC1CCCC1 62a_100000760002_100011713738 [0,0,0,1,0,0|1,0,2]=4 4199 B17R1.1425 OCCCCCCCSCCCC1CCCC1 62a_100011713738_100000760002 [0,0,0,1,0,0|1,0,2]=4 4200 B17R1.1450 C#CCCCCCCCNC1CCCCC1C 2230a_100000211402_100153394163 [0,0,0,1,0,0|2,0,1]=4 4201 B17R1.1450 C#CCCCCCCCNC1CCCCC1C 34a_100000211402_100153394163 [0,0,0,1,0,0|2,0,1]=4 4202 B17R1.1450 C#CCCCCCCCOC1CCCCC1=O 34a_100000054614_100000754470 [0,0,0,1,0,0|1,0,2]=4 4203 B17R1.1450 C#CCCCCCCCOC1CCCCC1=O 34a_100011214950_100153394163 [0,0,0,1,0,0|1,0,2]=4 4204 B17R1.1450 C#CCCCCCCCOC1CCCCC1=O 7a_100000054614_100000204591 [0,0,0,1,0,0|1,0,2]=4 4205 B17R1.1450 C#CCCCCCCCOC1CCCCC1C 34a_100000211207_100153394163 [0,0,0,1,0,0|2,0,1]=4 4206 B17R1.1450 C#CCCCCCCCOC1CCCCC1C 7a_100000211207_100153394163 [0,0,0,1,0,0|2,0,1]=4 4207 B17R1.1450 C#CCCCCCCCSC1CCCCC1=O 62a_100000204591_100153394163 [0,0,0,1,0,0|1,0,2]=4 4208 B17R1.1450 C#CCCCCCCCSC1CCCCC1=O 62a_100153394163_100000204591 [0,0,0,1,0,0|1,0,2]=4 4209 B17R1.1450 C#CCCCCCCOCC1CCCCC1=O 34a_100009861125_100012276617 [0,0,0,1,0,0|1,0,2]=4 4210 B17R1.1450 C#CCCCCCCOCC1CCCCC1=O 7a_100009861125_100012276617 [0,0,0,1,0,0|1,0,2]=4 4211 B17R1.1450 C=CCCCCCCCCN1CCCCC1C 2230a_100000211376_100011933949 [0,0,0,1,0,0|2,0,0]=3 4212 B17R1.1450 C=CCCCCCCCCN1CCCCC1C 269982a_100000211376_100011933949 [0,0,0,1,0,0|2,0,0]=3 4213 B17R1.1450 C=CCCCCCCCCN1CCCCC1C 34a_100000211376_100011933949 [0,0,0,1,0,0|2,0,0]=3 4214 B17R1.1450 C=CCCCCCCCCN1CCOC[C@@H]1C 2230a_100009815349_100011933949 [0,0,0,1,0,0|3,0,0]=4 4215 B17R1.1450 C=CCCCCCCCCN1CCOC[C@@H]1C 269982a_100009815349_100011933949 [0,0,0,1,0,0|3,0,0]=4 4216 B17R1.1450 C=CCCCCCCCCN1CCOC[C@@H]1C 34a_100009815349_100011933949 [0,0,0,1,0,0|3,0,0]=4 4217 B17R1.1450 C=CCCCCCCCNC1CCCCC1C 2230a_100000211402_100012355270 [0,0,0,1,0,0|2,0,0]=3 4218 B17R1.1450 C=CCCCCCCCNC1CCCCC1C 34a_100000211402_100012355270 [0,0,0,1,0,0|2,0,0]=3 4219 B17R1.1450 C=CCCCCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100012355270 [0,0,0,1,0,0|3,0,0]=4 4220 B17R1.1450 C=CCCCCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100012355270 [0,0,0,1,0,0|3,0,0]=4 4221 B17R1.1450 C=CCCCCCCCOC1CCCCC1=O 34a_100000730831_100000754470 [0,0,0,1,0,0|1,0,2]=4 4222 B17R1.1450 C=CCCCCCCCOC1CCCCC1=O 34a_100011214950_100012355270 [0,0,0,1,0,0|1,0,2]=4 4223 B17R1.1450 C=CCCCCCCCOC1CCCCC1=O 7a_100000730831_100000204591 [0,0,0,1,0,0|1,0,2]=4 4224 B17R1.1450 C=CCCCCCCCOC1CCCCC1F 34a_100000730831_100015423560 [0,0,0,1,0,0|3,0,0]=4 4225 B17R1.1450 C=CCCCCCCCOC1CCCCC1O 34a_100000730831_100000038908 [0,0,0,1,0,0|3,0,0]=4 4226 B17R1.1450 C=CCCCCCCCOC1CCNCC1C 34a_100011998114_100012355270 [0,0,0,1,0,0|3,0,0]=4 4227 B17R1.1450 C=CCCCCCCCOC1CNCCC1C 34a_100000696640_100012355270 [0,0,0,1,0,0|3,0,0]=4 4228 B17R1.1450 C=CCCCCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100012355270 [0,0,0,1,0,0|3,0,0]=4 4229 B17R1.1450 C=CCCCCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100012355270 [0,0,0,1,0,0|3,0,0]=4 4230 B17R1.1450 C=CCCCCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100012355270 [0,0,0,1,0,0|3,0,0]=4 4231 B17R1.1450 C=CCCCCCCCSC1CCCCC1=O 62a_100000204591_100012355270 [0,0,0,1,0,0|1,0,2]=4 4232 B17R1.1450 C=CCCCCCCCSC1CCCCC1=O 62a_100012355270_100000204591 [0,0,0,1,0,0|1,0,2]=4 4233 B17R1.1450 C=CCCCCCCCSC1CCCCC1O 62a_100000038908_100012355270 [0,0,0,1,0,0|3,0,0]=4 4234 B17R1.1450 C=CCCCCCCCSC1CCCCC1O 62a_100012355270_100000038908 [0,0,0,1,0,0|3,0,0]=4 4235 B17R1.1450 C=CCCCCCCNCC1CCCCC1O 34a_100011216029_100011215473 [0,0,0,1,0,0|3,0,0]=4 4236 B17R1.1450 C=CCCCCCCNCC1CCCCN1C 34a_100011228421_100011215473 [0,0,0,1,0,0|3,0,0]=4 4237 B17R1.1450 C=CCCCCCCOCC1CCCCC1=O 34a_100009861125_100011215473 [0,0,0,1,0,0|1,0,2]=4 4238 B17R1.1450 C=CCCCCCCOCC1CCCCC1=O 7a_100009861125_100011215473 [0,0,0,1,0,0|1,0,2]=4 4239 B17R1.1450 C=CCCCCCCOCC1CCCCN1C 34a_100000225079_100011215473 [0,0,0,1,0,0|3,0,0]=4 4240 B17R1.1450 C=CCCCCCCOCC1CCCCN1C 34a_200011216477_100015186950 [0,0,0,1,0,0|3,0,0]=4 4241 B17R1.1450 C=CCCCCCCOCC1CCCCN1C 7a_200011216477_100015185383 [0,0,0,1,0,0|3,0,0]=4 4242 B17R1.1450 C=CCCCCCCSCC1CCCCN1C 62a_100011215473_100015185383 [0,0,0,1,0,0|3,0,0]=4 4243 B17R1.1450 C=CCCCCCCSCC1CCCCN1C 62a_100015185383_100011215473 [0,0,0,1,0,0|3,0,0]=4 4244 B17R1.1450 C=CCCCCCNCCN1CCCCC1C 2230a_100000739827_100000700193 [0,0,0,1,0,0|3,0,0]=4 4245 B17R1.1450 C=CCCCCCNCCN1CCCCC1C 34a_100000739827_100000700193 [0,0,0,1,0,0|3,0,0]=4 4246 B17R1.1450 C=CCCCCCOCCC1CCCCN1C 34a_100011216702_100000211948 [0,0,0,1,0,0|3,0,0]=4 4247 B17R1.1450 C=CCCCCCOCCC1CCCCN1C 7a_100011216702_100000211948 [0,0,0,1,0,0|3,0,0]=4 4248 B17R1.1450 C=CCCCCCOCCN1CCCCC1C 34a_100011305533_100000700193 [0,0,0,1,0,0|3,0,0]=4 4249 B17R1.1450 C=CCCCCCSCCC1CCCCN1C 62a_100000211948_100000700193 [0,0,0,1,0,0|3,0,0]=4 4250 B17R1.1450 C=CCCCCCSCCC1CCCCN1C 62a_100000700193_100000211948 [0,0,0,1,0,0|3,0,0]=4 4251 B17R1.1450 C=CCCCCNCCCN1CCCCC1C 34a_100000212276_100011215482 [0,0,0,1,0,0|3,0,0]=4 4252 B17R1.1450 C=CCCCCOCCCN1CCCCC1C 34a_100000213889_100011215482 [0,0,0,1,0,0|3,0,0]=4 4253 B17R1.1450 C=CCCCCOCCCN1CCCCC1C 7a_100000213889_100011215482 [0,0,0,1,0,0|3,0,0]=4 4254 B17R1.1450 CC/C=C\CCCCCOC1CCCCC1=O 34a_100016268722_100000754470 [0,0,0,1,0,0|1,0,2]=4 4255 B17R1.1450 CC/C=C\CCCCCOC1CCCCC1=O 7a_100016268722_100000204591 [0,0,0,1,0,0|1,0,2]=4 4256 B17R1.1450 CC1CCCCC1NCCCCCCCCO 2230a_100000211402_100000033203 [0,0,0,1,0,0|1,0,2]=4 4257 B17R1.1450 CC1CCCCC1NCCCCCCCCO 269862a_102515433106_100000210921 [0,0,0,1,0,0|1,0,2]=4 4258 B17R1.1450 CC1CCCCC1NCCCCCCCCO 270004a_102515433106_100000210921 [0,0,0,1,0,0|1,0,2]=4 4259 B17R1.1450 CC1CCCCC1NCCCCCCCCO 34a_100000211402_100000033203 [0,0,0,1,0,0|1,0,2]=4 4260 B17R1.1450 CC1CCCCC1OCCCCCCCCO 34a_100000211207_100000033203 [0,0,0,1,0,0|1,0,2]=4 4261 B17R1.1450 CC1CCCCC1OCCCCCCCCO 7a_100000211207_100000033203 [0,0,0,1,0,0|1,0,2]=4 4262 B17R1.1450 CC1CCCCN1CCCCCCCCCO 2230a_100000211376_100009813782 [0,0,0,1,0,0|1,0,2]=4 4263 B17R1.1450 CC1CCCCN1CCCCCCCCCO 269982a_100000211376_100009813782 [0,0,0,1,0,0|1,0,2]=4 4264 B17R1.1450 CC1CCCCN1CCCCCCCCCO 34a_100000211376_100009813782 [0,0,0,1,0,0|1,0,2]=4 4265 B17R1.1450 CC1CCCCN1CCCOCCCCC=O 7a_100000213889_100000139335 [0,0,0,1,0,0|2,0,0]=3 4266 B17R1.1450 CC1CCCCN1CCNCCCCCC=O 2230a_100000739827_100000139337 [0,0,0,1,0,0|2,0,0]=3 4267 B17R1.1450 CCCCC#CCCCOC1CCCCC1=O 34a_100011214950_200000047210 [0,0,0,1,0,0|1,0,2]=4 4268 B17R1.1450 CCCCC#CCCCSC1CCCCC1=O 62a_100000204591_200000047210 [0,0,0,1,0,0|1,0,2]=4 4269 B17R1.1450 CCCCC#CCCCSC1CCCCC1=O 62a_200000047210_100000204591 [0,0,0,1,0,0|1,0,2]=4 4270 B17R1.1450 CCCCC/C=C\CCOC1CCCCC1=O 34a_100016277358_100000754470 [0,0,0,1,0,0|1,0,2]=4 4271 B17R1.1450 CCCCC/C=C\CCOC1CCCCC1=O 7a_100016277358_100000204591 [0,0,0,1,0,0|1,0,2]=4 4272 B17R1.1450 CCCCCC#CCCOC1CCCCC1=O 34a_200000042877_100000754470 [0,0,0,1,0,0|1,0,2]=4 4273 B17R1.1450 CCCCCC#CCCOC1CCCCC1=O 7a_200000042877_100000204591 [0,0,0,1,0,0|1,0,2]=4 4274 B17R1.1450 CCCCCC#CCOCC1CCCCC1=O 34a_100009861125_100009816472 [0,0,0,1,0,0|1,0,2]=4 4275 B17R1.1450 CCCCCC#CCOCC1CCCCC1=O 7a_100009861125_100009816472 [0,0,0,1,0,0|1,0,2]=4 4276 B17R1.1450 CCCCCC/C=C/COC1CCCCC1=O 34a_200016276170_100000754470 [0,0,0,1,0,0|1,0,2]=4 4277 B17R1.1450 CCCCCC/C=C/COC1CCCCC1=O 7a_200016276170_100000204591 [0,0,0,1,0,0|1,0,2]=4 4278 B17R1.1450 CCCCCCC#CCOC1CCCCC1=O 34a_200000037284_100000754470 [0,0,0,1,0,0|1,0,2]=4 4279 B17R1.1450 CCCCCCC#CCOC1CCCCC1=O 7a_200000037284_100000204591 [0,0,0,1,0,0|1,0,2]=4 4280 B17R1.1450 CCCCCCCCCNC1CCCCC1=O 34a_100000212291_100000754470 [0,0,0,1,0,0|1,0,0]=2 4281 B17R1.1450 CCCCCCCCCNC1CCCCC1C 2230a_100000211402_100011214924 [0,0,0,1,0,0|2,0,1]=4 4282 B17R1.1450 CCCCCCCCCNC1CCCCC1C 269862a_100000212291_100000210921 [0,0,0,1,0,0|2,0,1]=4 4283 B17R1.1450 CCCCCCCCCNC1CCCCC1C 270004a_100000212291_100000210921 [0,0,0,1,0,0|2,0,1]=4 4284 B17R1.1450 CCCCCCCCCNC1CCCCC1C 34a_100000211402_100011214924 [0,0,0,1,0,0|2,0,1]=4 4285 B17R1.1450 CCCCCCCCCNC1CCCCC1F 34a_100000212291_100015423560 [0,0,0,1,0,0|2,0,1]=4 4286 B17R1.1450 CCCCCCCCCNC1CCCCC1O 34a_100000212291_100000038908 [0,0,0,1,0,0|1,0,2]=4 4287 B17R1.1450 CCCCCCCCCNC1CCCNC1=O 2230a_100000212291_100000687798 [0,0,0,1,0,0|2,0,0]=3 4288 B17R1.1450 CCCCCCCCCNC1CCCNC1=O 2230a_100000747585_100011214924 [0,0,0,1,0,0|2,0,0]=3 4289 B17R1.1450 CCCCCCCCCNC1CCCNC1=O 34a_100000212291_100000687798 [0,0,0,1,0,0|2,0,0]=3 4290 B17R1.1450 CCCCCCCCCNC1CCCNC1=O 34a_100000747585_100011214924 [0,0,0,1,0,0|2,0,0]=3 4291 B17R1.1450 CCCCCCCCCNC1COCCC1=O 34a_100000212291_100012180262 [0,0,0,1,0,0|2,0,0]=3 4292 B17R1.1450 CCCCCCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011214924 [0,0,0,1,0,0|2,0,1]=4 4293 B17R1.1450 CCCCCCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011214924 [0,0,0,1,0,0|2,0,1]=4 4294 B17R1.1450 CCCCCCCCCOC1CCCCC1=O 34a_100000210712_100000754470 [0,0,0,1,0,0|1,0,0]=2 4295 B17R1.1450 CCCCCCCCCOC1CCCCC1=O 34a_100011214950_100011214924 [0,0,0,1,0,0|1,0,0]=2 4296 B17R1.1450 CCCCCCCCCOC1CCCCC1=O 7a_100000210712_100000204591 [0,0,0,1,0,0|1,0,0]=2 4297 B17R1.1450 CCCCCCCCCOC1CCCCC1O 34a_100000210712_100000038908 [0,0,0,1,0,0|1,0,2]=4 4298 B17R1.1450 CCCCCCCCCOC1CCCNC1=O 34a_100000073722_100011214924 [0,0,0,1,0,0|2,0,0]=3 4299 B17R1.1450 CCCCCCCCCOC1CCCNC1=O 34a_100000210712_100000687798 [0,0,0,1,0,0|2,0,0]=3 4300 B17R1.1450 CCCCCCCCCOC1CCCNC1=O 7a_100000210712_100000687798 [0,0,0,1,0,0|2,0,0]=3 4301 B17R1.1450 CCCCCCCCCOC1COCCC1=O 34a_100000210712_100012180262 [0,0,0,1,0,0|2,0,0]=3 4302 B17R1.1450 CCCCCCCCCOC1COCCC1=O 7a_100000210712_100012180262 [0,0,0,1,0,0|2,0,0]=3 4303 B17R1.1450 CCCCCCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100011214924 [0,0,0,1,0,0|2,0,1]=4 4304 B17R1.1450 CCCCCCCCCSC1CCCCC1=O 62a_100000204591_100000210670 [0,0,0,1,0,0|1,0,0]=2 4305 B17R1.1450 CCCCCCCCCSC1CCCCC1O 62a_100000038908_100000210670 [0,0,0,1,0,0|1,0,2]=4 4306 B17R1.1450 CCCCCCCCCSC1CCCNC1=O 62a_100000687798_100000210670 [0,0,0,1,0,0|2,0,0]=3 4307 B17R1.1450 CCCCCCCCCSC1COCCC1=O 62a_100012180262_100000210670 [0,0,0,1,0,0|2,0,0]=3 4308 B17R1.1450 CCCCCCCCNCC1CCCCC1O 34a_100011216029_100000210759 [0,0,0,1,0,0|1,0,2]=4 4309 B17R1.1450 CCCCCCCCNCC1CCCCN1C 34a_100000229939_100015186950 [0,0,0,1,0,0|3,0,0]=4 4310 B17R1.1450 CCCCCCCCNCC1CCCCN1C 34a_100011228421_100000210759 [0,0,0,1,0,0|3,0,0]=4 4311 B17R1.1450 CCCCCCCCOCC1CCCCC1=O 34a_100009861125_100000210759 [0,0,0,1,0,0|1,0,0]=2 4312 B17R1.1450 CCCCCCCCOCC1CCCCC1=O 7a_100009861125_100000210759 [0,0,0,1,0,0|1,0,0]=2 4313 B17R1.1450 CCCCCCCCOCC1CCCCN1C 34a_100000210232_100015186950 [0,0,0,1,0,0|3,0,0]=4 4314 B17R1.1450 CCCCCCCCOCC1CCCCN1C 34a_100000225079_100000210759 [0,0,0,1,0,0|3,0,0]=4 4315 B17R1.1450 CCCCCCCCOCC1CCCCN1C 7a_100000210232_100015185383 [0,0,0,1,0,0|3,0,0]=4 4316 B17R1.1450 CCCCCCCCSCC1CCCCN1C 62a_100000210759_100015185383 [0,0,0,1,0,0|3,0,0]=4 4317 B17R1.1450 CCCCCCCCSCC1CCCCN1C 62a_100015185383_100000210317 [0,0,0,1,0,0|3,0,0]=4 4318 B17R1.1450 CCCCCCCNCCC1CCCCN1C 2230a_100000229938_100000211948 [0,0,0,1,0,0|3,0,0]=4 4319 B17R1.1450 CCCCCCCNCCN1CCCCC1=O 2230a_100160573077_100000210681 [0,0,0,1,0,0|2,0,0]=3 4320 B17R1.1450 CCCCCCCNCCN1CCCCC1=O 34a_100160573077_100000210614 [0,0,0,1,0,0|2,0,0]=3 4321 B17R1.1450 CCCCCCCOCCC1CCCCN1C 34a_100000210272_100000211948 [0,0,0,1,0,0|3,0,0]=4 4322 B17R1.1450 CCCCCCCOCCC1CCCCN1C 7a_100000210272_100000211948 [0,0,0,1,0,0|3,0,0]=4 4323 B17R1.1450 CCCCCCCOCCC1NCCNC1=O 34a_100000044719_100000210614 [0,0,0,1,0,0|3,0,0]=4 4324 B17R1.1450 CCCCCCCSCCC1CCCCN1C 62a_100000210614_100000211948 [0,0,0,1,0,0|3,0,0]=4 4325 B17R1.1450 CCCCCCCSCCC1CCCCN1C 62a_100000211948_100000210316 [0,0,0,1,0,0|3,0,0]=4 4326 B17R1.1450 CCCCCCOCCOC1CCCCC1=O 34a_100000691444_100000754470 [0,0,0,1,0,0|2,0,0]=3 4327 B17R1.1450 CCCCCCOCCOC1CCCCC1=O 7a_100000691444_100000204591 [0,0,0,1,0,0|2,0,0]=3 4328 B17R1.1450 CCCCCCOCCOC1CCCNC1=O 34a_100000691444_100000687798 [0,0,0,1,0,0|3,0,0]=4 4329 B17R1.1450 CCCCCCOCCOC1CCCNC1=O 7a_100000691444_100000687798 [0,0,0,1,0,0|3,0,0]=4 4330 B17R1.1450 CCCCCCOCCOC1COCCC1=O 34a_100000691444_100012180262 [0,0,0,1,0,0|3,0,0]=4 4331 B17R1.1450 CCCCCCOCCOC1COCCC1=O 7a_100000691444_100012180262 [0,0,0,1,0,0|3,0,0]=4 4332 B17R1.1450 CCCCNCCCCOC1CCCCC1=O 34a_200011216965_100000754470 [0,0,0,1,0,0|2,0,0]=3 4333 B17R1.1450 CCCCNCCCCOC1CCCNC1=O 34a_200011216965_100000687798 [0,0,0,1,0,0|3,0,0]=4 4334 B17R1.1450 CCCCNCCCCOC1COCCC1=O 34a_200011216965_100012180262 [0,0,0,1,0,0|3,0,0]=4 4335 B17R1.1450 CCCCOCCCCOC1CCCCC1=O 34a_200000760531_100000754470 [0,0,0,1,0,0|2,0,0]=3 4336 B17R1.1450 CCCCOCCCCOC1CCCCC1=O 7a_200000760531_100000204591 [0,0,0,1,0,0|2,0,0]=3 4337 B17R1.1450 CCCCOCCCCOC1CCCNC1=O 34a_200000760531_100000687798 [0,0,0,1,0,0|3,0,0]=4 4338 B17R1.1450 CCCCOCCCCOC1CCCNC1=O 7a_200000760531_100000687798 [0,0,0,1,0,0|3,0,0]=4 4339 B17R1.1450 CCCCOCCCCOC1COCCC1=O 34a_200000760531_100012180262 [0,0,0,1,0,0|3,0,0]=4 4340 B17R1.1450 CCCCOCCCCOC1COCCC1=O 7a_200000760531_100012180262 [0,0,0,1,0,0|3,0,0]=4 4341 B17R1.1450 CCCCOCCNCCN1CCCCC1=O 2230a_100160573077_100000743108 [0,0,0,1,0,0|3,0,0]=4 4342 B17R1.1450 CCCCOCCNCCN1CCCCC1=O 34a_100160573077_100000743108 [0,0,0,1,0,0|3,0,0]=4 4343 B17R1.1450 CCCOCCOCCNC1CCCCC1=O 34a_200011904461_100000754470 [0,0,0,1,0,0|3,0,0]=4 4344 B17R1.1450 CCOCCOCCOCC1CCCCC1=O 34a_100009861125_100011211534 [0,0,0,1,0,0|3,0,0]=4 4345 B17R1.1450 CCOCCOCCOCC1CCCCC1=O 7a_100009861125_100011211534 [0,0,0,1,0,0|3,0,0]=4 4346 B17R1.1450 CN1CCCCC1CCSCCCCCC=O 62a_100000139337_100000211948 [0,0,0,1,0,0|2,0,0]=3 4347 B17R1.1450 CN1CCCCC1CCSCCCCCC=O 62a_100000211948_100000139337 [0,0,0,1,0,0|2,0,0]=3 4348 B17R1.1450 COCCCCCCOCC1CCCCC1=O 34a_100009861125_100011998445 [0,0,0,1,0,0|2,0,0]=3 4349 B17R1.1450 COCCCCCCOCC1CCCCC1=O 7a_100009861125_100011998445 [0,0,0,1,0,0|2,0,0]=3 4350 B17R1.1450 COCCCOCCCOC1CCCCC1=O 34a_200011215475_100000754470 [0,0,0,1,0,0|3,0,0]=4 4351 B17R1.1450 COCCCOCCCOC1CCCCC1=O 7a_200011215475_100000204591 [0,0,0,1,0,0|3,0,0]=4 4352 B17R1.1450 COCCOCCCOCC1CCCCC1=O 34a_100009861125_100011216529 [0,0,0,1,0,0|3,0,0]=4 4353 B17R1.1450 COCCOCCCOCC1CCCCC1=O 7a_100009861125_100011216529 [0,0,0,1,0,0|3,0,0]=4 4354 B17R1.1450 N#CCCCCCCOCC1CCCCC1=O 7a_100009861125_100009813337 [0,0,0,1,0,0|2,0,1]=4 4355 B17R1.1450 NCCCCCCCCOC1CCCCC1=O 34a_102515433106_100000754470 [0,0,0,1,0,0|2,0,0]=3 4356 B17R1.1450 NCCCCCCCCOC1CCCNC1=O 34a_102515433106_100000687798 [0,0,0,1,0,0|3,0,0]=4 4357 B17R1.1450 NCCCCCCCCOC1COCCC1=O 34a_102515433106_100012180262 [0,0,0,1,0,0|3,0,0]=4 4358 B17R1.1450 NCCNCCCCCOC1CCCCC1=O 34a_103619048469_100000754470 [0,0,0,1,0,0|3,0,0]=4 4359 B17R1.1450 O=C1CCCCC1COCCCCCCCO 34a_100009861125_100000760002 [0,0,0,1,0,0|2,0,0]=3 4360 B17R1.1450 O=C1CCCCC1COCCCCCCCO 7a_100009861125_100000760002 [0,0,0,1,0,0|2,0,0]=3 4361 B17R1.1450 O=C1CCCCC1NCCCCCCCCO 34a_102515433106_100000754470 [0,0,0,1,0,0|2,0,0]=3 4362 B17R1.1450 O=C1CCCCC1OCCCCCCCCBr 34a_100009813846_100000754470 [0,0,0,1,0,0|2,0,0]=3 4363 B17R1.1450 O=C1CCCCC1OCCCCCCCCBr 7a_100009813846_100000204591 [0,0,0,1,0,0|2,0,0]=3 4364 B17R1.1450 O=C1CCCCC1OCCCCCCCCCl 34a_100000033203_100000754470 [0,0,0,1,0,0|2,0,0]=3 4365 B17R1.1450 O=C1CCCCC1OCCCCCCCCCl 7a_100000033203_100000204591 [0,0,0,1,0,0|2,0,0]=3 4366 B17R1.1450 O=C1CCCCC1OCCCCCCCCO 34a_100011214950_100000033203 [0,0,0,1,0,0|2,0,0]=3 4367 B17R1.1450 O=C1CCCCC1SCCCCCCCCO 62a_100000033203_100000204591 [0,0,0,1,0,0|2,0,0]=3 4368 B17R1.1450 O=C1CCCCC1SCCCCCCCCO 62a_100000204591_100000033203 [0,0,0,1,0,0|2,0,0]=3 4369 B17R1.1450 O=C1CCCCN1CCNCCCCCCF 2230a_100160573077_100015922095 [0,0,0,1,0,0|3,0,0]=4 4370 B17R1.1450 O=C1CCCCN1CCNCCCCCCF 34a_100160573077_100015922095 [0,0,0,1,0,0|3,0,0]=4 4371 B17R1.1450 O=C1CCCCN1CCNCCCCCCO 2230a_100160573077_100000766143 [0,0,0,1,0,0|3,0,0]=4 4372 B17R1.1450 O=C1CCCCN1CCNCCCCCCO 34a_100160573077_100000766143 [0,0,0,1,0,0|3,0,0]=4 4373 B17R1.1450 O=C1CCOCC1NCCCCCCCCO 34a_102515433106_100012180262 [0,0,0,1,0,0|3,0,0]=4 4374 B17R1.1450 O=C1CCOCC1OCCCCCCCCBr 34a_100009813846_100012180262 [0,0,0,1,0,0|3,0,0]=4 4375 B17R1.1450 O=C1CCOCC1OCCCCCCCCBr 7a_100009813846_100012180262 [0,0,0,1,0,0|3,0,0]=4 4376 B17R1.1450 O=C1CCOCC1OCCCCCCCCCl 34a_100000033203_100012180262 [0,0,0,1,0,0|3,0,0]=4 4377 B17R1.1450 O=C1CCOCC1OCCCCCCCCCl 7a_100000033203_100012180262 [0,0,0,1,0,0|3,0,0]=4 4378 B17R1.1450 O=C1CCOCC1SCCCCCCCCO 62a_100000033203_100012180262 [0,0,0,1,0,0|3,0,0]=4 4379 B17R1.1450 O=C1CCOCC1SCCCCCCCCO 62a_100012180262_100000033203 [0,0,0,1,0,0|3,0,0]=4 4380 B17R1.1450 O=C1NCCCC1NCCCCCCCCO 2230a_100000747585_100000033203 [0,0,0,1,0,0|3,0,0]=4 4381 B17R1.1450 O=C1NCCCC1NCCCCCCCCO 2230a_102515433106_100000687798 [0,0,0,1,0,0|3,0,0]=4 4382 B17R1.1450 O=C1NCCCC1NCCCCCCCCO 34a_100000747585_100000033203 [0,0,0,1,0,0|3,0,0]=4 4383 B17R1.1450 O=C1NCCCC1NCCCCCCCCO 34a_102515433106_100000687798 [0,0,0,1,0,0|3,0,0]=4 4384 B17R1.1450 O=C1NCCCC1OCCCCCCCCBr 34a_100009813846_100000687798 [0,0,0,1,0,0|3,0,0]=4 4385 B17R1.1450 O=C1NCCCC1OCCCCCCCCBr 7a_100009813846_100000687798 [0,0,0,1,0,0|3,0,0]=4 4386 B17R1.1450 O=C1NCCCC1OCCCCCCCCCl 34a_100000033203_100000687798 [0,0,0,1,0,0|3,0,0]=4 4387 B17R1.1450 O=C1NCCCC1OCCCCCCCCCl 7a_100000033203_100000687798 [0,0,0,1,0,0|3,0,0]=4 4388 B17R1.1450 O=C1NCCCC1OCCCCCCCCO 34a_100000073722_100000033203 [0,0,0,1,0,0|3,0,0]=4 4389 B17R1.1450 O=C1NCCCC1SCCCCCCCCO 62a_100000033203_100000687798 [0,0,0,1,0,0|3,0,0]=4 4390 B17R1.1450 O=C1NCCCC1SCCCCCCCCO 62a_100000687798_100000033203 [0,0,0,1,0,0|3,0,0]=4 4391 B17R1.1451 C=CCCCCCCCCN1CCCC1CC 2230a_100000754278_100011933949 [0,0,0,1,0,0|2,0,0]=3 4392 B17R1.1451 C=CCCCCCCCCN1CCCC1CC 269982a_100000754278_100011933949 [0,0,0,1,0,0|2,0,0]=3 4393 B17R1.1451 C=CCCCCCCCCN1CCCC1CC 34a_100000754278_100011933949 [0,0,0,1,0,0|2,0,0]=3 4394 B17R1.1451 C=CCCCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100011933949 [0,0,0,1,0,0|3,0,0]=4 4395 B17R1.1451 C=CCCCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100011933949 [0,0,0,1,0,0|3,0,0]=4 4396 B17R1.1451 C=CCCCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100011933949 [0,0,0,1,0,0|3,0,0]=4 4397 B17R1.1451 C=CCCCCCCNCC1CCCN1CC 2230a_100000211693_100011215473 [0,0,0,1,0,0|3,0,0]=4 4398 B17R1.1451 C=CCCCCCCOC[C@H]1CCCN1CC 34a_100011739246_100011215473 [0,0,0,1,0,0|3,0,0]=4 4399 B17R1.1451 C=CCCCCCCOC[C@H]1CCCN1CC 7a_100011739246_100011215473 [0,0,0,1,0,0|3,0,0]=4 4400 B17R1.1451 CCC1CCCC1NCCCCCCCCO 269862a_102515433106_100000749056 [0,0,0,1,0,0|1,0,2]=4 4401 B17R1.1451 CCC1CCCC1NCCCCCCCCO 270004a_102515433106_100000749056 [0,0,0,1,0,0|1,0,2]=4 4402 B17R1.1451 CCC1CCCN1CCCCCCCCCO 2230a_100000754278_100009813782 [0,0,0,1,0,0|1,0,2]=4 4403 B17R1.1451 CCC1CCCN1CCCCCCCCCO 269982a_100000754278_100009813782 [0,0,0,1,0,0|1,0,2]=4 4404 B17R1.1451 CCC1CCCN1CCCCCCCCCO 34a_100000754278_100009813782 [0,0,0,1,0,0|1,0,2]=4 4405 B17R1.1451 CCCCCCCCCCN1CCCC1C#N 2230a_100000701862_100000210320 [0,0,0,1,0,0|2,0,1]=4 4406 B17R1.1451 CCCCCCCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210320 [0,0,0,1,0,0|2,0,1]=4 4407 B17R1.1451 CCCCCCCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210320 [0,0,0,1,0,0|2,0,1]=4 4408 B17R1.1451 CCCCCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210320 [0,0,0,1,0,0|1,0,2]=4 4409 B17R1.1451 CCCCCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210320 [0,0,0,1,0,0|1,0,2]=4 4410 B17R1.1451 CCCCCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210320 [0,0,0,1,0,0|1,0,2]=4 4411 B17R1.1451 CCCCCCCCCNC1CCCC1CC 269862a_100000212291_100000749056 [0,0,0,1,0,0|2,0,1]=4 4412 B17R1.1451 CCCCCCCCCNC1CCCC1CC 270004a_100000212291_100000749056 [0,0,0,1,0,0|2,0,1]=4 4413 B17R1.1451 CCCCCCCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100011214924 [0,0,0,1,0,0|2,0,1]=4 4414 B17R1.1451 CCCCCCCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210328 [0,0,0,1,0,0|2,0,1]=4 4415 B17R1.4155 C=CCCCCCN1CCCCC1CCCO 2230a_100011934581_100000700193 [0,0,0,1,0,0|3,0,0]=4 4416 B17R1.4155 C=CCCCCCN1CCCCC1CCCO 269982a_100011934581_100000700193 [0,0,0,1,0,0|3,0,0]=4 4417 B17R1.4155 C=CCCCCCN1CCCCC1CCCO 34a_100011934581_100000700193 [0,0,0,1,0,0|3,0,0]=4 4418 B17R1.4155 C=CCCCCCN1CCCCC1CCOC 2230a_100015186528_100000700193 [0,0,0,1,0,0|3,0,0]=4 4419 B17R1.4155 C=CCCCCCN1CCCCC1CCOC 269982a_100015186528_100000700193 [0,0,0,1,0,0|3,0,0]=4 4420 B17R1.4155 C=CCCCCCN1CCCCC1CCOC 34a_100015186528_100000700193 [0,0,0,1,0,0|3,0,0]=4 4421 B17R1.4155 CCCCCCCN1CCCCC1CCCO 2230a_100011934581_100000210681 [0,0,0,1,0,0|1,0,2]=4 4422 B17R1.4155 CCCCCCCN1CCCCC1CCCO 269982a_100011934581_100000210681 [0,0,0,1,0,0|1,0,2]=4 4423 B17R1.4155 CCCCCCCN1CCCCC1CCCO 34a_100011934581_100000210614 [0,0,0,1,0,0|1,0,2]=4 4424 B17R1.4155 CCCCCCCN1CCCCC1CCOC 2230a_100015186528_100000210681 [0,0,0,1,0,0|3,0,0]=4 4425 B17R1.4155 CCCCCCCN1CCCCC1CCOC 269982a_100015186528_100000210681 [0,0,0,1,0,0|3,0,0]=4 4426 B17R1.4155 CCCCCCCN1CCCCC1CCOC 34a_100015186528_100000210614 [0,0,0,1,0,0|3,0,0]=4 4427 B17R1.4155 CCCCCCNC1CCCCC1CCC#N 270004a_100000210581_100000034616 [0,0,0,1,0,0|2,0,1]=4 4428 B17R1.4155 COCCC1CCCCN1CCCCCC=O 2230a_100015186528_100000139337 [0,0,0,1,0,0|2,0,0]=3 4429 B17R1.4155 COCCC1CCCCN1CCCCCC=O 269982a_100015186528_100000139337 [0,0,0,1,0,0|2,0,0]=3 4430 B17R1.4155 O=CCCCCCN1CCCCC1CCCO 2230a_100011934581_100000139337 [0,0,0,1,0,0|2,0,0]=3 4431 B17R1.4155 O=CCCCCCN1CCCCC1CCCO 269982a_100011934581_100000139337 [0,0,0,1,0,0|2,0,0]=3 4432 B17R1.4166 C=CCCCCNC1CCCC1CCCCC 269862a_100000703577_200000198059 [0,0,0,1,0,0|2,0,0]=3 4433 B17R1.4166 C=CCCCCNC1CCCC1CCCCC 270004a_100000703577_200000198059 [0,0,0,1,0,0|2,0,0]=3 4434 B17R1.4166 C=CCCNC1CCCC1CCCCCCC 269862a_100015191253_200011216720 [0,0,0,1,0,0|2,0,0]=3 4435 B17R1.4166 C=CCCNC1CCCC1CCCCCCC 270004a_100015191253_200011216720 [0,0,0,1,0,0|2,0,0]=3 4436 B17R1.4166 C=COCCCNC1CCCC1CCCCC 269862a_100000210767_200000198059 [0,0,0,1,0,0|3,0,0]=4 4437 B17R1.4166 C=COCCCNC1CCCC1CCCCC 270004a_100000210767_200000198059 [0,0,0,1,0,0|3,0,0]=4 4438 B17R1.4166 CCCCCC1CCCC1NCCCCC#N 270004a_100000751965_200000198059 [0,0,0,1,0,0|2,0,1]=4 4439 B17R1.4166 CCCCCC1CCCC1NCCCCCO 269862a_100000762737_200000198059 [0,0,0,1,0,0|1,0,2]=4 4440 B17R1.4166 CCCCCC1CCCC1NCCCCCO 270004a_100000762737_200000198059 [0,0,0,1,0,0|1,0,2]=4 4441 B17R1.4166 CCCCCCCC1CCCC1NCCC#N 270004a_100000720768_200011216720 [0,0,0,1,0,0|2,0,1]=4 4442 B17R1.4166 CCCCCCCC1CCCC1NCCCC 269862a_100000102301_200011216720 [0,0,0,1,0,0|2,0,1]=4 4443 B17R1.4166 CCCCCCCC1CCCC1NCCCC 270004a_100000102301_200011216720 [0,0,0,1,0,0|2,0,1]=4 4444 B17R1.4166 CCCCCCCC1CCCC1NCCCF 269862a_100015189416_200011216720 [0,0,0,1,0,0|2,0,1]=4 4445 B17R1.4166 CCCCCCCC1CCCC1NCCCF 270004a_100015189416_200011216720 [0,0,0,1,0,0|2,0,1]=4 4446 B17R1.4166 CCCCCCCC1CCCC1NCCCO 269862a_100000182051_200011216720 [0,0,0,1,0,0|1,0,2]=4 4447 B17R1.4166 CCCCCCCC1CCCC1NCCCO 270004a_100000182051_200011216720 [0,0,0,1,0,0|1,0,2]=4 4448 B17R1.4166 CCCCCCCC1CCCC1NCCOC 269862a_100000209980_200011216720 [0,0,0,1,0,0|3,0,0]=4 4449 B17R1.4166 CCCCCCCC1CCCC1NCCOC 270004a_100000209980_200011216720 [0,0,0,1,0,0|3,0,0]=4 4450 B17R1.4166 CCCCCCCC1CCCC1NCCSC 269862a_100020590264_200011216720 [0,0,0,1,0,0|3,0,0]=4 4451 B17R1.4166 CCCCCCCC1CCCC1NCCSC 270004a_100020590264_200011216720 [0,0,0,1,0,0|3,0,0]=4 4452 B17R1.4166 CCCCCCNC1CCCC1CCCCC 269862a_100000210581_200000198059 [0,0,0,1,0,0|2,0,1]=4 4453 B17R1.4166 CCCCCCNC1CCCC1CCCCC 270004a_100000210581_200000198059 [0,0,0,1,0,0|2,0,1]=4 4454 B17R1.5241 C#CCCCCCCCCOC1CCCC1=O 34a_100000065265_100000709159 [0,0,0,1,0,0|1,0,2]=4 4455 B17R1.5241 C#CCCCCCCCCOC1CCCC1=O 7a_100000065265_100000211823 [0,0,0,1,0,0|1,0,2]=4 4456 B17R1.5241 C=CCCCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009814027 [0,0,0,1,0,0|2,0,0]=3 4457 B17R1.5241 C=CCCCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100009814027 [0,0,0,1,0,0|2,0,0]=3 4458 B17R1.5241 C=CCCCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100009814027 [0,0,0,1,0,0|2,0,0]=3 4459 B17R1.5241 C=CCCCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100009814027 [0,0,0,1,0,0|2,0,0]=3 4460 B17R1.5241 C=CCCCCCCCCCN1CCC[C@H]1C 34a_100015189458_100009814027 [0,0,0,1,0,0|2,0,0]=3 4461 B17R1.5241 C=CCCCCCCCCCN1CCSC1C 2230a_200011216479_100009814027 [0,0,0,1,0,0|3,0,0]=4 4462 B17R1.5241 C=CCCCCCCCCCN1CCSC1C 269982a_200011216479_100009814027 [0,0,0,1,0,0|3,0,0]=4 4463 B17R1.5241 C=CCCCCCCCCCN1CCSC1C 34a_200011216479_100009814027 [0,0,0,1,0,0|3,0,0]=4 4464 B17R1.5241 C=CCCCCCCCCOC1CCCC1=O 34a_100011215194_100000709159 [0,0,0,1,0,0|1,0,2]=4 4465 B17R1.5241 C=CCCCCCCCCOC1CCCC1=O 34a_200000719330_100011933949 [0,0,0,1,0,0|1,0,2]=4 4466 B17R1.5241 C=CCCCCCCCCOC1CCCC1=O 7a_100011215194_100000211823 [0,0,0,1,0,0|1,0,2]=4 4467 B17R1.5241 C=CCCCCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011933949 [0,0,0,1,0,0|3,0,0]=4 4468 B17R1.5241 C=CCCCCCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100011933949 [0,0,0,1,0,0|3,0,0]=4 4469 B17R1.5241 C=CCCCCCCCCSC1CCCC1=O 62a_100000211823_100011933949 [0,0,0,1,0,0|1,0,2]=4 4470 B17R1.5241 C=CCCCCCCCCSC1CCCC1=O 62a_100011933949_100000211823 [0,0,0,1,0,0|1,0,2]=4 4471 B17R1.5241 C=CCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_100011933949_200016002552 [0,0,0,1,0,0|3,0,0]=4 4472 B17R1.5241 C=CCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011933949 [0,0,0,1,0,0|3,0,0]=4 4473 B17R1.5241 C=CCCCCCCCOCC1CCCN1C 34a_100000743107_100012355270 [0,0,0,1,0,0|3,0,0]=4 4474 B17R1.5241 C=CCCCCCCOCCC1CCCN1C 34a_100011215177_100011215473 [0,0,0,1,0,0|3,0,0]=4 4475 B17R1.5241 C=CCCCCCCOCCC1CCCN1C 34a_200011216477_100000005710 [0,0,0,1,0,0|3,0,0]=4 4476 B17R1.5241 C=CCCCCCCOCCC1CCCN1C 7a_100011215177_100011215473 [0,0,0,1,0,0|3,0,0]=4 4477 B17R1.5241 C=CCCCCCCOCCC1CCCN1C 7a_200011216477_100000005710 [0,0,0,1,0,0|3,0,0]=4 4478 B17R1.5241 C=CCCCCCCSCCC1CCCN1C 62a_100000005710_100011215473 [0,0,0,1,0,0|3,0,0]=4 4479 B17R1.5241 C=CCCCCCCSCCC1CCCN1C 62a_100011215473_100000005710 [0,0,0,1,0,0|3,0,0]=4 4480 B17R1.5241 CC1CCCC1NCCCCCCCCCO 269862a_100000078944_100000752053 [0,0,0,1,0,0|1,0,2]=4 4481 B17R1.5241 CC1CCCC1OCCCCCCCCCO 34a_100011216460_100009813782 [0,0,0,1,0,0|1,0,2]=4 4482 B17R1.5241 CC1CCCC1OCCCCCCCCCO 7a_100011216460_100009813782 [0,0,0,1,0,0|1,0,2]=4 4483 B17R1.5241 CCC#CCCCCCCOC1CCCC1=O 34a_200000719330_200000036426 [0,0,0,1,0,0|1,0,2]=4 4484 B17R1.5241 CCC#CCCCCCCSC1CCCC1=O 62a_100000211823_200000036426 [0,0,0,1,0,0|1,0,2]=4 4485 B17R1.5241 CCC#CCCCCCCSC1CCCC1=O 62a_200000036426_100000211823 [0,0,0,1,0,0|1,0,2]=4 4486 B17R1.5241 CCCC/C=C/CCCCOC1CCCC1=O 34a_200020645093_100000709159 [0,0,0,1,0,0|1,0,2]=4 4487 B17R1.5241 CCCC/C=C/CCCCOC1CCCC1=O 7a_200020645093_100000211823 [0,0,0,1,0,0|1,0,2]=4 4488 B17R1.5241 CCCCC#CCCCCOC1CCCC1=O 34a_200000066234_100000709159 [0,0,0,1,0,0|1,0,2]=4 4489 B17R1.5241 CCCCC#CCCCCOC1CCCC1=O 7a_200000066234_100000211823 [0,0,0,1,0,0|1,0,2]=4 4490 B17R1.5241 CCCCC/C=C\CCCOC1CCCC1=O 34a_100020655193_100000709159 [0,0,0,1,0,0|1,0,2]=4 4491 B17R1.5241 CCCCC/C=C\CCCOC1CCCC1=O 7a_100020655193_100000211823 [0,0,0,1,0,0|1,0,2]=4 4492 B17R1.5241 CCCCCCC#CCCOC1CCCC1=O 34a_200000033163_100000709159 [0,0,0,1,0,0|1,0,2]=4 4493 B17R1.5241 CCCCCCC#CCCOC1CCCC1=O 7a_200000033163_100000211823 [0,0,0,1,0,0|1,0,2]=4 4494 B17R1.5241 CCCCCCCC#CCOC1CCCC1=O 34a_200000061759_100000709159 [0,0,0,1,0,0|1,0,2]=4 4495 B17R1.5241 CCCCCCCC#CCOC1CCCC1=O 7a_200000061759_100000211823 [0,0,0,1,0,0|1,0,2]=4 4496 B17R1.5241 CCCCCCCCCCNC1CCCC1=O 2230a_100000684558_100000211823 [0,0,0,1,0,0|1,0,0]=2 4497 B17R1.5241 CCCCCCCCCCNC1CCCC1=O 34a_100000684558_100000709159 [0,0,0,1,0,0|1,0,0]=2 4498 B17R1.5241 CCCCCCCCCCNC1CCCC1C 269862a_100000684558_100000752053 [0,0,0,1,0,0|2,0,1]=4 4499 B17R1.5241 CCCCCCCCCCNC1CCNC1=O 2230a_100016995588_100000210320 [0,0,0,1,0,0|2,0,0]=3 4500 B17R1.5241 CCCCCCCCCCNC1CCNC1=O 34a_100016995588_100000210320 [0,0,0,1,0,0|2,0,0]=3 4501 B17R1.5241 CCCCCCCCCCNC1CCOC1=O 2230a_100000684558_100000211211 [0,0,0,1,0,0|2,0,0]=3 4502 B17R1.5241 CCCCCCCCCCNC1CCOC1=O 34a_100000684558_100000211211 [0,0,0,1,0,0|2,0,0]=3 4503 B17R1.5241 CCCCCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210320 [0,0,0,1,0,0|3,0,0]=4 4504 B17R1.5241 CCCCCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210320 [0,0,0,1,0,0|3,0,0]=4 4505 B17R1.5241 CCCCCCCCCCOC1CCCC1=O 34a_100000210711_100000709159 [0,0,0,1,0,0|1,0,0]=2 4506 B17R1.5241 CCCCCCCCCCOC1CCCC1=O 34a_200000719330_100000210320 [0,0,0,1,0,0|1,0,0]=2 4507 B17R1.5241 CCCCCCCCCCOC1CCCC1=O 7a_100000210711_100000211823 [0,0,0,1,0,0|1,0,0]=2 4508 B17R1.5241 CCCCCCCCCCOC1CCOC1=O 34a_100000210711_100000211211 [0,0,0,1,0,0|2,0,0]=3 4509 B17R1.5241 CCCCCCCCCCOC1CCOC1=O 7a_100000210711_100000211211 [0,0,0,1,0,0|2,0,0]=3 4510 B17R1.5241 CCCCCCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210320 [0,0,0,1,0,0|2,0,1]=4 4511 B17R1.5241 CCCCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210320 [0,0,0,1,0,0|2,0,0]=3 4512 B17R1.5241 CCCCCCCCCCSC1CCCC1=O 62a_100000211823_100000210320 [0,0,0,1,0,0|1,0,0]=2 4513 B17R1.5241 CCCCCCCCCCSC1CCOC1=O 62a_100000211211_100000210320 [0,0,0,1,0,0|2,0,0]=3 4514 B17R1.5241 CCCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210320 [0,0,0,1,0,0|1,0,2]=4 4515 B17R1.5241 CCCCCCCCCOCC1=CCCC1=O 34a_100000087531_100011214924 [0,0,0,1,0,0|1,0,2]=4 4516 B17R1.5241 CCCCCCCCCOCC1CCCN1C 34a_100000743107_100011214924 [0,0,0,1,0,0|3,0,0]=4 4517 B17R1.5241 CCCCCCCCCOCC1CCNC1=O 34a_100000133458_100011214924 [0,0,0,1,0,0|2,0,0]=3 4518 B17R1.5241 CCCCCCCCCSCN1CCCC1=O 62a_100000026320_100000210670 [0,0,0,1,0,0|2,0,0]=3 4519 B17R1.5241 CCCCCCCCNCCC1CCCN1C 2230a_100000229939_100000005710 [0,0,0,1,0,0|3,0,0]=4 4520 B17R1.5241 CCCCCCCCNCCC1CCCN1C 34a_100000229939_100000005710 [0,0,0,1,0,0|3,0,0]=4 4521 B17R1.5241 CCCCCCCCNCCN1CCCC1=O 2230a_100000229939_100000739059 [0,0,0,1,0,0|2,0,0]=3 4522 B17R1.5241 CCCCCCCCNCCN1CCCC1=O 2230a_100011200922_100000210759 [0,0,0,1,0,0|2,0,0]=3 4523 B17R1.5241 CCCCCCCCNCCN1CCCC1=O 34a_100000229939_100000739059 [0,0,0,1,0,0|2,0,0]=3 4524 B17R1.5241 CCCCCCCCNCCN1CCNC1=O 2230a_100000229939_100000090651 [0,0,0,1,0,0|3,0,0]=4 4525 B17R1.5241 CCCCCCCCNCCN1CCNC1=O 2230a_100011207550_100000210759 [0,0,0,1,0,0|3,0,0]=4 4526 B17R1.5241 CCCCCCCCOCCC1CCCN1C 34a_100000210232_100000005710 [0,0,0,1,0,0|3,0,0]=4 4527 B17R1.5241 CCCCCCCCOCCC1CCCN1C 34a_100011215177_100000210759 [0,0,0,1,0,0|3,0,0]=4 4528 B17R1.5241 CCCCCCCCOCCC1CCCN1C 7a_100000210232_100000005710 [0,0,0,1,0,0|3,0,0]=4 4529 B17R1.5241 CCCCCCCCOCCC1CCCN1C 7a_100011215177_100000210759 [0,0,0,1,0,0|3,0,0]=4 4530 B17R1.5241 CCCCCCCCOCCN1CCCC1=O 34a_100000210232_100000739059 [0,0,0,1,0,0|2,0,0]=3 4531 B17R1.5241 CCCCCCCCOCCN1CCCC1=O 34a_100000211209_100000210759 [0,0,0,1,0,0|2,0,0]=3 4532 B17R1.5241 CCCCCCCCOCCN1CCCC1=O 7a_100000210232_100000739059 [0,0,0,1,0,0|2,0,0]=3 4533 B17R1.5241 CCCCCCCCOCCN1CCCC1=O 7a_100000211209_100000210759 [0,0,0,1,0,0|2,0,0]=3 4534 B17R1.5241 CCCCCCCCOCCN1CCNC1=O 34a_100000216532_100000210759 [0,0,0,1,0,0|3,0,0]=4 4535 B17R1.5241 CCCCCCCCOCCN1CCNC1=O 7a_100000210232_100000090651 [0,0,0,1,0,0|3,0,0]=4 4536 B17R1.5241 CCCCCCCCSCCC1CCCN1C 62a_100000005710_100000210317 [0,0,0,1,0,0|3,0,0]=4 4537 B17R1.5241 CCCCCCCCSCCC1CCCN1C 62a_100000210759_100000005710 [0,0,0,1,0,0|3,0,0]=4 4538 B17R1.5241 CCCCCCCCSCCN1CCCC1=O 62a_100000210759_100000739059 [0,0,0,1,0,0|2,0,0]=3 4539 B17R1.5241 CCCCCCCCSCCN1CCCC1=O 62a_100000739059_100000210317 [0,0,0,1,0,0|2,0,0]=3 4540 B17R1.5241 CCCCCCCCSCCN1CCNC1=O 62a_100000090651_100000210317 [0,0,0,1,0,0|3,0,0]=4 4541 B17R1.5241 CCCCCCCCSCCN1CCNC1=O 62a_100000210759_100000090651 [0,0,0,1,0,0|3,0,0]=4 4542 B17R1.5241 CCCCCCCNCCCN1CCCC1=O 2230a_100000210347_100000210681 [0,0,0,1,0,0|2,0,0]=3 4543 B17R1.5241 CCCCCCCNCCCN1CCCC1=O 34a_100000210347_100000210614 [0,0,0,1,0,0|2,0,0]=3 4544 B17R1.5241 CCCCCCCOCCCN1CCCC1=O 34a_100011216539_100000210614 [0,0,0,1,0,0|2,0,0]=3 4545 B17R1.5241 CCCCCCCOCCCN1CCCC1=O 7a_100011216539_100000210614 [0,0,0,1,0,0|2,0,0]=3 4546 B17R1.5241 CCCCCNCCOCCN1CCCC1=O 34a_100000224656_100000739059 [0,0,0,1,0,0|3,0,0]=4 4547 B17R1.5241 CCCCCOCCOCCN1CCCC1=O 34a_100011215259_100000739059 [0,0,0,1,0,0|3,0,0]=4 4548 B17R1.5241 CCCCCOCCOCCN1CCCC1=O 7a_100011215259_100000739059 [0,0,0,1,0,0|3,0,0]=4 4549 B17R1.5241 CCCCOCCCNCCN1CCCC1=O 2230a_200000211371_100000739059 [0,0,0,1,0,0|3,0,0]=4 4550 B17R1.5241 CCCCOCCCNCCN1CCCC1=O 34a_200000211371_100000739059 [0,0,0,1,0,0|3,0,0]=4 4551 B17R1.5241 CCCCOCCCOCCN1CCCC1=O 34a_200011215613_100000739059 [0,0,0,1,0,0|3,0,0]=4 4552 B17R1.5241 CCCCOCCCOCCN1CCCC1=O 7a_200011215613_100000739059 [0,0,0,1,0,0|3,0,0]=4 4553 B17R1.5241 CCCCOCCNCCCN1CCCC1=O 2230a_100000210347_100000743108 [0,0,0,1,0,0|3,0,0]=4 4554 B17R1.5241 CCCCOCCNCCCN1CCCC1=O 34a_100000210347_100000743108 [0,0,0,1,0,0|3,0,0]=4 4555 B17R1.5241 CCCCOCCOCCCN1CCCC1=O 34a_100011216539_100000743108 [0,0,0,1,0,0|3,0,0]=4 4556 B17R1.5241 CCCCOCCOCCCN1CCCC1=O 7a_100011216539_100000743108 [0,0,0,1,0,0|3,0,0]=4 4557 B17R1.5241 CCCCOCCOCCOC1CCCC1=O 34a_100011215186_100000709159 [0,0,0,1,0,0|3,0,0]=4 4558 B17R1.5241 CCCCOCCOCCOC1CCCC1=O 7a_100011215186_100000211823 [0,0,0,1,0,0|3,0,0]=4 4559 B17R1.5241 COCCCCCCNCCN1CCCC1=O 2230a_100011200922_100011998445 [0,0,0,1,0,0|3,0,0]=4 4560 B17R1.5241 COCCCCCCOCCN1CCCC1=O 34a_100000211209_100011998445 [0,0,0,1,0,0|3,0,0]=4 4561 B17R1.5241 COCCCCCCOCCN1CCCC1=O 34a_200012092642_100000739059 [0,0,0,1,0,0|3,0,0]=4 4562 B17R1.5241 COCCCCCCOCCN1CCCC1=O 7a_100000211209_100011998445 [0,0,0,1,0,0|3,0,0]=4 4563 B17R1.5241 COCCCCCCOCCN1CCCC1=O 7a_200012092642_100000739059 [0,0,0,1,0,0|3,0,0]=4 4564 B17R1.5241 COCCCCCCSCCN1CCCC1=O 62a_100000739059_100011998445 [0,0,0,1,0,0|3,0,0]=4 4565 B17R1.5241 COCCCCCCSCCN1CCCC1=O 62a_100011998445_100000739059 [0,0,0,1,0,0|3,0,0]=4 4566 B17R1.5241 C[C@@H]1CCCN1CCCCCCCCCCO 2230a_100015189458_100009813290 [0,0,0,1,0,0|1,0,2]=4 4567 B17R1.5241 C[C@@H]1CCCN1CCCCCCCCCCO 269982a_100015189458_100009813290 [0,0,0,1,0,0|1,0,2]=4 4568 B17R1.5241 C[C@@H]1CCCN1CCCCCCCCCCO 34a_100015189458_100009813290 [0,0,0,1,0,0|1,0,2]=4 4569 B17R1.5241 C[C@H]1CCCN1CCCCCCCCCCO 2230a_100020605311_100009813290 [0,0,0,1,0,0|1,0,2]=4 4570 B17R1.5241 C[C@H]1CCCN1CCCCCCCCCCO 269982a_100020605311_100009813290 [0,0,0,1,0,0|1,0,2]=4 4571 B17R1.5241 NCCCCCCCCCOC1CCCC1=O 34a_100000078944_100000709159 [0,0,0,1,0,0|2,0,0]=3 4572 B17R1.5241 NCCCCCCCCCOC1CCOC1=O 34a_100000078944_100000211211 [0,0,0,1,0,0|3,0,0]=4 4573 B17R1.5241 NCCCCCCCOCCN1CCCC1=O 34a_100011996573_100000739059 [0,0,0,1,0,0|3,0,0]=4 4574 B17R1.5241 O=C1CCCC1NCCCCCCCCCO 2230a_100000078944_100000211823 [0,0,0,1,0,0|2,0,0]=3 4575 B17R1.5241 O=C1CCCC1NCCCCCCCCCO 34a_100000078944_100000709159 [0,0,0,1,0,0|2,0,0]=3 4576 B17R1.5241 O=C1CCCC1OCCCCCCCCCBr 34a_100009813782_100000709159 [0,0,0,1,0,0|2,0,0]=3 4577 B17R1.5241 O=C1CCCC1OCCCCCCCCCBr 7a_100009813782_100000211823 [0,0,0,1,0,0|2,0,0]=3 4578 B17R1.5241 O=C1CCCC1OCCCCCCCCCCl 34a_100009868337_100000709159 [0,0,0,1,0,0|2,0,0]=3 4579 B17R1.5241 O=C1CCCC1OCCCCCCCCCCl 7a_100009868337_100000211823 [0,0,0,1,0,0|2,0,0]=3 4580 B17R1.5241 O=C1CCCC1OCCCCCCCCCO 34a_200000719330_100009813782 [0,0,0,1,0,0|2,0,0]=3 4581 B17R1.5241 O=C1CCCC1SCCCCCCCCCO 62a_100000211823_100009813782 [0,0,0,1,0,0|2,0,0]=3 4582 B17R1.5241 O=C1CCCC1SCCCCCCCCCO 62a_100009813782_100000211823 [0,0,0,1,0,0|2,0,0]=3 4583 B17R1.5241 O=C1CCCN1CCCNCCCCCCF 2230a_100000210347_100015922095 [0,0,0,1,0,0|3,0,0]=4 4584 B17R1.5241 O=C1CCCN1CCCNCCCCCCF 34a_100000210347_100015922095 [0,0,0,1,0,0|3,0,0]=4 4585 B17R1.5241 O=C1CCCN1CCCNCCCCCCO 2230a_100000210347_100000766143 [0,0,0,1,0,0|3,0,0]=4 4586 B17R1.5241 O=C1CCCN1CCCNCCCCCCO 34a_100000210347_100000766143 [0,0,0,1,0,0|3,0,0]=4 4587 B17R1.5241 O=C1CCCN1CCCOCCCCCCF 34a_100011216539_100015922095 [0,0,0,1,0,0|3,0,0]=4 4588 B17R1.5241 O=C1CCCN1CCCOCCCCCCF 7a_100011216539_100015922095 [0,0,0,1,0,0|3,0,0]=4 4589 B17R1.5241 O=C1CCCN1CCCOCCCCCCO 34a_100011216539_100000766143 [0,0,0,1,0,0|3,0,0]=4 4590 B17R1.5241 O=C1CCCN1CCCOCCCCCCO 7a_100011216539_100000766143 [0,0,0,1,0,0|3,0,0]=4 4591 B17R1.5241 O=C1CCCN1CCNCCCCCCCO 2230a_100011200922_100000760002 [0,0,0,1,0,0|3,0,0]=4 4592 B17R1.5241 O=C1CCCN1CCNCCCCCCCO 2230a_100011996573_100000739059 [0,0,0,1,0,0|3,0,0]=4 4593 B17R1.5241 O=C1CCCN1CCNCCCCCCCO 34a_100011996573_100000739059 [0,0,0,1,0,0|3,0,0]=4 4594 B17R1.5241 O=C1CCCN1CCOCCCCCCCBr 34a_100000760002_100000739059 [0,0,0,1,0,0|3,0,0]=4 4595 B17R1.5241 O=C1CCCN1CCOCCCCCCCBr 7a_100000760002_100000739059 [0,0,0,1,0,0|3,0,0]=4 4596 B17R1.5241 O=C1CCCN1CCOCCCCCCCO 34a_100000211209_100000760002 [0,0,0,1,0,0|3,0,0]=4 4597 B17R1.5241 O=C1CCCN1CCOCCCCCCCO 7a_100000211209_100000760002 [0,0,0,1,0,0|3,0,0]=4 4598 B17R1.5241 O=C1CCCN1CCSCCCCCCCO 62a_100000739059_100000760002 [0,0,0,1,0,0|3,0,0]=4 4599 B17R1.5241 O=C1CCCN1CCSCCCCCCCO 62a_100000760002_100000739059 [0,0,0,1,0,0|3,0,0]=4 4600 B17R1.5241 O=C1CCCN1CSCCCCCCCCO 62a_100000026320_100000033203 [0,0,0,1,0,0|3,0,0]=4 4601 B17R1.5241 O=C1CCCN1CSCCCCCCCCO 62a_100000033203_100000026320 [0,0,0,1,0,0|3,0,0]=4 4602 B17R1.5241 O=C1NCCC1COCCCCCCCCO 34a_100000133458_100000033203 [0,0,0,1,0,0|3,0,0]=4 4603 B17R1.5241 O=C1NCCC1NCCCCCCCCCO 2230a_100016995588_100009813782 [0,0,0,1,0,0|3,0,0]=4 4604 B17R1.5241 O=C1NCCC1NCCCCCCCCCO 34a_100016995588_100009813782 [0,0,0,1,0,0|3,0,0]=4 4605 B17R1.5241 O=C1NCC[C@@H]1OCCCCCCCCCO 34a_100000688343_100009813782 [0,0,0,1,0,0|3,0,0]=4 4606 B17R1.5241 O=C1OCCC1NCCCCCCCCCO 2230a_100000078944_100000211211 [0,0,0,1,0,0|3,0,0]=4 4607 B17R1.5241 O=C1OCCC1NCCCCCCCCCO 34a_100000078944_100000211211 [0,0,0,1,0,0|3,0,0]=4 4608 B17R1.5241 O=C1OCCC1OCCCCCCCCCBr 34a_100009813782_100000211211 [0,0,0,1,0,0|3,0,0]=4 4609 B17R1.5241 O=C1OCCC1OCCCCCCCCCBr 7a_100009813782_100000211211 [0,0,0,1,0,0|3,0,0]=4 4610 B17R1.5241 O=C1OCCC1OCCCCCCCCCCl 34a_100009868337_100000211211 [0,0,0,1,0,0|3,0,0]=4 4611 B17R1.5241 O=C1OCCC1OCCCCCCCCCCl 7a_100009868337_100000211211 [0,0,0,1,0,0|3,0,0]=4 4612 B17R1.5241 O=C1OCCC1SCCCCCCCCCO 62a_100000211211_100009813782 [0,0,0,1,0,0|3,0,0]=4 4613 B17R1.5241 O=C1OCCC1SCCCCCCCCCO 62a_100009813782_100000211211 [0,0,0,1,0,0|3,0,0]=4 4614 B17R1.5249 C#CCCCCCCCCCOC1CCC1=O 34a_100000034437_100009892977 [0,0,0,1,0,0|1,0,2]=4 4615 B17R1.5249 C#CCCCCCCCCCOC1CCC1=O 7a_100000034437_100009892977 [0,0,0,1,0,0|1,0,2]=4 4616 B17R1.5249 C#CCCCCCCCOCCC1CCC1=O 7a_100000054614_200016118888 [0,0,0,1,0,0|1,0,2]=4 4617 B17R1.5249 C#CCCCCCCCSCCC1CCC1=O 62a_100153394163_200016118888 [0,0,0,1,0,0|1,0,2]=4 4618 B17R1.5249 C#CCCCCCCCSCCC1CCC1=O 62a_200016118888_100153394163 [0,0,0,1,0,0|1,0,2]=4 4619 B17R1.5249 C=CCCCCCCCCCCN1CCC1C 269982a_100000755817_100011093070 [0,0,0,1,0,0|2,0,0]=3 4620 B17R1.5249 C=CCCCCCCCCCCN1CCC1C 34a_100000755817_100011093070 [0,0,0,1,0,0|2,0,0]=3 4621 B17R1.5249 C=CCCCCCCCCCNC1CCC1=O 34a_100000081888_100009892977 [0,0,0,1,0,0|1,0,2]=4 4622 B17R1.5249 C=CCCCCCCCCCOC1CCC1=O 34a_100000038209_100009892977 [0,0,0,1,0,0|1,0,2]=4 4623 B17R1.5249 C=CCCCCCCCCCOC1CCC1=O 7a_100000038209_100009892977 [0,0,0,1,0,0|1,0,2]=4 4624 B17R1.5249 C=CCCCCCCCCCSC1CCC1=O 62a_100009814027_100009892977 [0,0,0,1,0,0|1,0,2]=4 4625 B17R1.5249 C=CCCCCCCCCCSC1CCC1=O 62a_100009892977_100009814027 [0,0,0,1,0,0|1,0,2]=4 4626 B17R1.5249 C=CCCCCCCCOCCC1CCC1=O 7a_100000730831_200016118888 [0,0,0,1,0,0|1,0,2]=4 4627 B17R1.5249 C=CCCCCCCCSCCC1CCC1=O 62a_100012355270_200016118888 [0,0,0,1,0,0|1,0,2]=4 4628 B17R1.5249 C=CCCCCCCCSCCC1CCC1=O 62a_200016118888_100012355270 [0,0,0,1,0,0|1,0,2]=4 4629 B17R1.5249 CC/C=C\CCCCCOCCC1CCC1=O 7a_100016268722_200016118888 [0,0,0,1,0,0|1,0,2]=4 4630 B17R1.5249 CC1CCN1CCCCCCCCCCCO 269982a_100000755817_100009812471 [0,0,0,1,0,0|1,0,2]=4 4631 B17R1.5249 CC1CCN1CCCCCCCCCCCO 34a_100000755817_100009812471 [0,0,0,1,0,0|1,0,2]=4 4632 B17R1.5249 CCCCC#CCCCSCCC1CCC1=O 62a_200000047210_200016118888 [0,0,0,1,0,0|1,0,2]=4 4633 B17R1.5249 CCCCC#CCCCSCCC1CCC1=O 62a_200016118888_200000047210 [0,0,0,1,0,0|1,0,2]=4 4634 B17R1.5249 CCCCC/C=C\CCOCCC1CCC1=O 7a_100016277358_200016118888 [0,0,0,1,0,0|1,0,2]=4 4635 B17R1.5249 CCCCCC#CCCOCCC1CCC1=O 7a_200000042877_200016118888 [0,0,0,1,0,0|1,0,2]=4 4636 B17R1.5249 CCCCCC/C=C/COCCC1CCC1=O 7a_200016276170_200016118888 [0,0,0,1,0,0|1,0,2]=4 4637 B17R1.5249 CCCCCCC#CCOCCC1CCC1=O 7a_200000037284_200016118888 [0,0,0,1,0,0|1,0,2]=4 4638 B17R1.5249 CCCCCCCC/C=C/COC1CCC1=O 34a_200020667288_100009892977 [0,0,0,1,0,0|1,0,2]=4 4639 B17R1.5249 CCCCCCCC/C=C/COC1CCC1=O 7a_200020667288_100009892977 [0,0,0,1,0,0|1,0,2]=4 4640 B17R1.5249 CCCCCCCCCCCNC1CCC1=O 34a_200011215754_100009892977 [0,0,0,1,0,0|1,0,0]=2 4641 B17R1.5249 CCCCCCCCCCCOC1CCC1=O 34a_100000210809_100009892977 [0,0,0,1,0,0|1,0,0]=2 4642 B17R1.5249 CCCCCCCCCCCOC1CCC1=O 7a_100000210809_100009892977 [0,0,0,1,0,0|1,0,0]=2 4643 B17R1.5249 CCCCCCCCCCCSC1CCC1=O 62a_100009892977_100011215454 [0,0,0,1,0,0|1,0,0]=2 4644 B17R1.5249 CCCCCCCCCNCCC1CCC1=O 2230a_100000212291_200016118888 [0,0,0,1,0,0|1,0,0]=2 4645 B17R1.5249 CCCCCCCCCOCCC1CCC1=O 7a_100000210712_200016118888 [0,0,0,1,0,0|1,0,0]=2 4646 B17R1.5249 CCCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210670 [0,0,0,1,0,0|1,0,0]=2 4647 B17R1.5249 CCCCCCOCCOCCC1CCC1=O 7a_100000691444_200016118888 [0,0,0,1,0,0|2,0,0]=3 4648 B17R1.5249 CCCCOCCCCOCCC1CCC1=O 7a_200000760531_200016118888 [0,0,0,1,0,0|2,0,0]=3 4649 B17R1.5249 CCCOCCOCCNCCC1CCC1=O 2230a_200011904461_200016118888 [0,0,0,1,0,0|3,0,0]=4 4650 B17R1.5249 COCCCOCCCOCCC1CCC1=O 7a_200011215475_200016118888 [0,0,0,1,0,0|3,0,0]=4 4651 B17R1.5249 NCCCCCCCCCCOC1CCC1=O 34a_100000066964_100009892977 [0,0,0,1,0,0|2,0,0]=3 4652 B17R1.5249 O=C1CCC1CCNCCCCCCCCO 2230a_102515433106_200016118888 [0,0,0,1,0,0|2,0,0]=3 4653 B17R1.5249 O=C1CCC1CCOCCCCCCCCBr 7a_100009813846_200016118888 [0,0,0,1,0,0|2,0,0]=3 4654 B17R1.5249 O=C1CCC1CCOCCCCCCCCCl 7a_100000033203_200016118888 [0,0,0,1,0,0|2,0,0]=3 4655 B17R1.5249 O=C1CCC1CCSCCCCCCCCO 62a_100000033203_200016118888 [0,0,0,1,0,0|2,0,0]=3 4656 B17R1.5249 O=C1CCC1CCSCCCCCCCCO 62a_200016118888_100000033203 [0,0,0,1,0,0|2,0,0]=3 4657 B17R1.5249 O=C1CCC1NCCCCCCCCCCO 34a_100000066964_100009892977 [0,0,0,1,0,0|2,0,0]=3 4658 B17R1.5249 O=C1CCC1OCCCCCCCCCCBr 34a_100009813290_100009892977 [0,0,0,1,0,0|2,0,0]=3 4659 B17R1.5249 O=C1CCC1OCCCCCCCCCCBr 7a_100009813290_100009892977 [0,0,0,1,0,0|2,0,0]=3 4660 B17R1.5249 O=C1CCC1OCCCCCCCCCCCl 34a_200000033068_100009892977 [0,0,0,1,0,0|2,0,0]=3 4661 B17R1.5249 O=C1CCC1OCCCCCCCCCCCl 7a_200000033068_100009892977 [0,0,0,1,0,0|2,0,0]=3 4662 B17R1.5249 O=C1CCC1SCCCCCCCCCCO 62a_100009813290_100009892977 [0,0,0,1,0,0|2,0,0]=3 4663 B17R1.5249 O=C1CCC1SCCCCCCCCCCO 62a_100009892977_200000033068 [0,0,0,1,0,0|2,0,0]=3 4664 B17R1.6363 C#CCCNC1CCCCCCCCCCC1 2230a_100011194316_100000688953 [0,0,0,1,0,0|2,0,1]=4 4665 B17R1.6363 C#CCCNC1CCCCCCCCCCC1 34a_100011194316_100000688953 [0,0,0,1,0,0|2,0,1]=4 4666 B17R1.6363 C#CCCOC1CCCCCCCCCCC1 34a_100000211378_100000688953 [0,0,0,1,0,0|2,0,1]=4 4667 B17R1.6363 C#CCCOC1CCCCCCCCCCC1 7a_100000211378_100000688953 [0,0,0,1,0,0|2,0,1]=4 4668 B17R1.6363 C/C=C/CNC1CCCCCCCCCCC1 34a_100011194316_100102629194 [0,0,0,1,0,0|2,0,1]=4 4669 B17R1.6363 C=CCCNC1CCCCCCCCCCC1 2230a_100011194316_100000754431 [0,0,0,1,0,0|2,0,0]=3 4670 B17R1.6363 C=CCCNC1CCCCCCCCCCC1 270004a_100015191253_100000210130 [0,0,0,1,0,0|2,0,0]=3 4671 B17R1.6363 C=CCCNC1CCCCCCCCCCC1 34a_100011194316_100000754431 [0,0,0,1,0,0|2,0,0]=3 4672 B17R1.6363 CC=CCNC1CCCCCCCCCCC1 2230a_100011194316_100000070051 [0,0,0,1,0,0|2,0,1]=4 4673 B17R1.6363 CC=CCNC1CCCCCCCCCCC1 34a_100011194316_100000070051 [0,0,0,1,0,0|2,0,1]=4 4674 B17R1.6363 COCCNC1CCCCCCCCCCC1 2230a_100011194316_100011201679 [0,0,0,1,0,0|3,0,0]=4 4675 B17R1.6363 COCCNC1CCCCCCCCCCC1 270004a_100000209980_100000210130 [0,0,0,1,0,0|3,0,0]=4 4676 B17R1.6363 COCCNC1CCCCCCCCCCC1 34a_100011194316_100011201679 [0,0,0,1,0,0|3,0,0]=4 4677 B17R1.6363 COCCOC1CCCCCCCCCCC1 34a_100000211378_100011201679 [0,0,0,1,0,0|3,0,0]=4 4678 B17R1.6363 COCCOC1CCCCCCCCCCC1 7a_100000211378_100000233755 [0,0,0,1,0,0|3,0,0]=4 4679 B17R1.6363 CSCCNC1CCCCCCCCCCC1 2230a_100011194316_100000751147 [0,0,0,1,0,0|3,0,0]=4 4680 B17R1.6363 CSCCNC1CCCCCCCCCCC1 270004a_100020590264_100000210130 [0,0,0,1,0,0|3,0,0]=4 4681 B17R1.6363 CSCCNC1CCCCCCCCCCC1 34a_100011194316_100000212216 [0,0,0,1,0,0|3,0,0]=4 4682 B17R1.6363 FCCCNC1CCCCCCCCCCC1 2230a_100011194316_100011934791 [0,0,0,1,0,0|2,0,1]=4 4683 B17R1.6363 FCCCNC1CCCCCCCCCCC1 270004a_100015189416_100000210130 [0,0,0,1,0,0|2,0,1]=4 4684 B17R1.6363 FCCCNC1CCCCCCCCCCC1 34a_100011194316_100011934791 [0,0,0,1,0,0|2,0,1]=4 4685 B17R1.6363 N#CCCNC1CCCCCCCCCCC1 2230a_100011194316_100011215226 [0,0,0,1,0,0|2,0,1]=4 4686 B17R1.6363 N#CCCNC1CCCCCCCCCCC1 270004a_100000720768_100000210130 [0,0,0,1,0,0|2,0,1]=4 4687 B17R1.6363 N#CCCOC1CCCCCCCCCCC1 7a_100000211378_100000184422 [0,0,0,1,0,0|2,0,1]=4 4688 B17R1.6363 OCCCNC1CCCCCCCCCCC1 2230a_100011194316_100000230001 [0,0,0,1,0,0|1,0,2]=4 4689 B17R1.6363 OCCCNC1CCCCCCCCCCC1 270004a_100000182051_100000210130 [0,0,0,1,0,0|1,0,2]=4 4690 B17R1.6363 OCCCNC1CCCCCCCCCCC1 34a_100011194316_100000230001 [0,0,0,1,0,0|1,0,2]=4 4691 B17R1.6363 OCCCOC1CCCCCCCCCCC1 34a_100000211378_100000230001 [0,0,0,1,0,0|1,0,2]=4 4692 B17R1.6363 OCCCOC1CCCCCCCCCCC1 7a_100000211378_100011215043 [0,0,0,1,0,0|1,0,2]=4 4693 B17R1.7891 C=CCCCCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011093070 [0,0,0,1,0,0|3,0,0]=4 4694 B17R1.7891 C=CCCCCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011093070 [0,0,0,1,0,0|3,0,0]=4 4695 B17R1.7891 C=CCCCCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011093070 [0,0,0,1,0,0|3,0,0]=4 4696 B17R1.7891 C=CCCCCCCCCCOCC1CC1C 34a_100000744939_100009814027 [0,0,0,1,0,0|2,0,0]=3 4697 B17R1.7891 C=CCCCCCCCCCOCC1CC1C 7a_100000744939_100009814027 [0,0,0,1,0,0|2,0,0]=3 4698 B17R1.7891 CC1CC1COCCCCCCCCCCO 34a_100000744939_100009813290 [0,0,0,1,0,0|1,0,2]=4 4699 B17R1.7891 CC1CC1COCCCCCCCCCCO 7a_100000744939_100009813290 [0,0,0,1,0,0|1,0,2]=4 4700 B17R1.7891 CCCCCCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215052 [0,0,0,1,0,0|2,0,1]=4 4701 B17R1.7891 CCCCCCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215052 [0,0,0,1,0,0|2,0,1]=4 4702 B17R1.7891 CCCCCCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000759014 [0,0,0,1,0,0|2,0,1]=4 4703 B17R1.7892 C#CCCCCCCCCCCOC1CCC1 34a_100000054667_100000749161 [0,0,0,1,0,0|2,0,1]=4 4704 B17R1.7892 C#CCCCCCCCCCOCC1CCC1 34a_100000034437_100000763275 [0,0,0,1,0,0|2,0,1]=4 4705 B17R1.7892 C#CCCCCCCCCCOCC1CCC1 7a_100000034437_100000763275 [0,0,0,1,0,0|2,0,1]=4 4706 B17R1.7892 C=CCCCCCCCCCCCN1CCC1 269982a_100000754969_102130925996 [0,0,0,1,0,0|2,0,0]=3 4707 B17R1.7892 C=CCCCCCCCCCCNC1CCC1 2230a_100000749019_100011093070 [0,0,0,1,0,0|2,0,0]=3 4708 B17R1.7892 C=CCCCCCCCCCCNC1CCC1 34a_100000749019_100011093070 [0,0,0,1,0,0|2,0,0]=3 4709 B17R1.7892 C=CCCCCCCCCCCNC1COC1 2230a_100016991112_100011093070 [0,0,0,1,0,0|3,0,0]=4 4710 B17R1.7892 C=CCCCCCCCCCCOC1CSC1 7a_100000072292_100011093070 [0,0,0,1,0,0|3,0,0]=4 4711 B17R1.7892 C=CCCCCCCCCCCSC1COC1 62a_100011093070_100009818527 [0,0,0,1,0,0|3,0,0]=4 4712 B17R1.7892 C=CCCCCCCCCCNCC1CCC1 2230a_100000081888_100000763275 [0,0,0,1,0,0|2,0,0]=3 4713 B17R1.7892 C=CCCCCCCCCCNCC1CCC1 2230a_100000738700_100009814027 [0,0,0,1,0,0|2,0,0]=3 4714 B17R1.7892 C=CCCCCCCCCCNCC1CCC1 269862a_100000081888_100000753134 [0,0,0,1,0,0|2,0,0]=3 4715 B17R1.7892 C=CCCCCCCCCCNCC1CCC1 34a_100000081888_100000763275 [0,0,0,1,0,0|2,0,0]=3 4716 B17R1.7892 C=CCCCCCCCCCNCC1CCC1 34a_100000738700_100009814027 [0,0,0,1,0,0|2,0,0]=3 4717 B17R1.7892 C=CCCCCCCCCCNCC1CCO1 2230a_100000081888_100000103362 [0,0,0,1,0,0|3,0,0]=4 4718 B17R1.7892 C=CCCCCCCCCCNCC1CCO1 34a_100000081888_100000103362 [0,0,0,1,0,0|3,0,0]=4 4719 B17R1.7892 C=CCCCCCCCCCNCC1COC1 2230a_100000081888_100010264016 [0,0,0,1,0,0|3,0,0]=4 4720 B17R1.7892 C=CCCCCCCCCCNCC1COC1 2230a_100015281925_100009814027 [0,0,0,1,0,0|3,0,0]=4 4721 B17R1.7892 C=CCCCCCCCCCNCC1COC1 34a_100000081888_100010264016 [0,0,0,1,0,0|3,0,0]=4 4722 B17R1.7892 C=CCCCCCCCCCNCC1COC1 34a_100015281925_100009814027 [0,0,0,1,0,0|3,0,0]=4 4723 B17R1.7892 C=CCCCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100009814027 [0,0,0,1,0,0|3,0,0]=4 4724 B17R1.7892 C=CCCCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100009814027 [0,0,0,1,0,0|3,0,0]=4 4725 B17R1.7892 C=CCCCCCCCCCOCC1CCO1 34a_100000038209_100000103362 [0,0,0,1,0,0|3,0,0]=4 4726 B17R1.7892 C=CCCCCCCCCCOCC1CCO1 34a_100000039022_100009814027 [0,0,0,1,0,0|3,0,0]=4 4727 B17R1.7892 C=CCCCCCCCCCOCC1CCO1 7a_100000038209_100000103362 [0,0,0,1,0,0|3,0,0]=4 4728 B17R1.7892 C=CCCCCCCCCCOCC1CNC1 34a_100016987283_100009814027 [0,0,0,1,0,0|3,0,0]=4 4729 B17R1.7892 C=CCCCCCCCCCOCC1COC1 34a_100000038209_100010264016 [0,0,0,1,0,0|3,0,0]=4 4730 B17R1.7892 C=CCCCCCCCCCOCC1COC1 34a_100000060846_100009814027 [0,0,0,1,0,0|3,0,0]=4 4731 B17R1.7892 C=CCCCCCCCCCOCC1COC1 7a_100000038209_100010264016 [0,0,0,1,0,0|3,0,0]=4 4732 B17R1.7892 C=CCCCCCCCCCSCC1CCO1 62a_100000103362_100009814027 [0,0,0,1,0,0|3,0,0]=4 4733 B17R1.7892 C=CCCCCCCCCCSCC1CCO1 62a_100009814027_100000103362 [0,0,0,1,0,0|3,0,0]=4 4734 B17R1.7892 C=CCCCCCCCCCSCC1COC1 62a_100009814027_100010264016 [0,0,0,1,0,0|3,0,0]=4 4735 B17R1.7892 C=CCCCCCCCCCSCC1COC1 62a_100010264016_100009814027 [0,0,0,1,0,0|3,0,0]=4 4736 B17R1.7892 C=CCCCCCCCCOCCC1COC1 34a_100009855314_100011933949 [0,0,0,1,0,0|3,0,0]=4 4737 B17R1.7892 CCCCCCCCCCCCNC1COC1 2230a_100016991112_100011215052 [0,0,0,1,0,0|3,0,0]=4 4738 B17R1.7892 CCCCCCCCCCCCNC1COC1 270004a_100016991112_100011218549 [0,0,0,1,0,0|3,0,0]=4 4739 B17R1.7892 CCCCCCCCCCCCNC1COC1 34a_100000210451_100009818527 [0,0,0,1,0,0|3,0,0]=4 4740 B17R1.7892 CCCCCCCCCCCCNC1CSC1 270004a_100016994217_100011218549 [0,0,0,1,0,0|3,0,0]=4 4741 B17R1.7892 CCCCCCCCCCCCOC1COC1 34a_100000210810_100009818527 [0,0,0,1,0,0|3,0,0]=4 4742 B17R1.7892 CCCCCCCCCCCCOC1COC1 7a_100000210810_100009818527 [0,0,0,1,0,0|3,0,0]=4 4743 B17R1.7892 CCCCCCCCCCCNCC1CCC1 2230a_100000738700_100011215454 [0,0,0,1,0,0|2,0,1]=4 4744 B17R1.7892 CCCCCCCCCCCNCC1CCC1 2230a_200011215754_100000763275 [0,0,0,1,0,0|2,0,1]=4 4745 B17R1.7892 CCCCCCCCCCCNCC1CCC1 269862a_200011215754_100000753134 [0,0,0,1,0,0|2,0,1]=4 4746 B17R1.7892 CCCCCCCCCCCNCC1CCC1 34a_100000738700_100011215454 [0,0,0,1,0,0|2,0,1]=4 4747 B17R1.7892 CCCCCCCCCCCNCC1CCC1 34a_200011215754_100000763275 [0,0,0,1,0,0|2,0,1]=4 4748 B17R1.7892 CCCCCCCCCCCNCC1CCO1 2230a_200011215754_100000103362 [0,0,0,1,0,0|1,0,2]=4 4749 B17R1.7892 CCCCCCCCCCCNCC1CCO1 34a_200011215754_100000103362 [0,0,0,1,0,0|1,0,2]=4 4750 B17R1.7892 CCCCCCCCCCCNCC1COC1 2230a_100015281925_100011215454 [0,0,0,1,0,0|3,0,0]=4 4751 B17R1.7892 CCCCCCCCCCCNCC1COC1 2230a_200011215754_100010264016 [0,0,0,1,0,0|3,0,0]=4 4752 B17R1.7892 CCCCCCCCCCCNCC1COC1 34a_100015281925_100011215454 [0,0,0,1,0,0|3,0,0]=4 4753 B17R1.7892 CCCCCCCCCCCNCC1COC1 34a_200011215754_100010264016 [0,0,0,1,0,0|3,0,0]=4 4754 B17R1.7892 CCCCCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215454 [0,0,0,1,0,0|1,0,2]=4 4755 B17R1.7892 CCCCCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100011215454 [0,0,0,1,0,0|1,0,2]=4 4756 B17R1.7892 CCCCCCCCCCCOCC1CCO1 34a_100000039022_100011215454 [0,0,0,1,0,0|1,0,2]=4 4757 B17R1.7892 CCCCCCCCCCCOCC1CCO1 34a_100000210809_100000103362 [0,0,0,1,0,0|1,0,2]=4 4758 B17R1.7892 CCCCCCCCCCCOCC1CCO1 7a_100000210809_100000103362 [0,0,0,1,0,0|1,0,2]=4 4759 B17R1.7892 CCCCCCCCCCCOCC1CNC1 34a_100016987283_100011215454 [0,0,0,1,0,0|3,0,0]=4 4760 B17R1.7892 CCCCCCCCCCCOCC1COC1 34a_100000060846_100011215454 [0,0,0,1,0,0|3,0,0]=4 4761 B17R1.7892 CCCCCCCCCCCOCC1COC1 34a_100000210809_100010264016 [0,0,0,1,0,0|3,0,0]=4 4762 B17R1.7892 CCCCCCCCCCCOCC1COC1 7a_100000210809_100010264016 [0,0,0,1,0,0|3,0,0]=4 4763 B17R1.7892 CCCCCCCCCCCSCC1COC1 62a_100010264016_100011215454 [0,0,0,1,0,0|3,0,0]=4 4764 B17R1.7892 CCCCCCCCCCOCCC1COC1 34a_100009855314_100000210320 [0,0,0,1,0,0|3,0,0]=4 4765 B17R1.7892 NCCCCCCCCCCOCC1CCC1 34a_100000066964_100000763275 [0,0,0,1,0,0|2,0,1]=4 4766 B17R1.7892 OCCCCCCCCCCCCN1CCC1 269982a_100000754969_100009813331 [0,0,0,1,0,0|1,0,2]=4 4767 B17R1.7892 OCCCCCCCCCCCNC1CCC1 2230a_100000749019_100009812471 [0,0,0,1,0,0|1,0,2]=4 4768 B17R1.7892 OCCCCCCCCCCCNC1CCC1 34a_100000749019_100009812471 [0,0,0,1,0,0|1,0,2]=4 4769 B17R1.7892 OCCCCCCCCCCCOC1CCC1 34a_100000748187_100009812471 [0,0,0,1,0,0|1,0,2]=4 4770 B17R1.7892 OCCCCCCCCCCCSC1CCC1 62a_100009812471_100000749161 [0,0,0,1,0,0|1,0,2]=4 4771 B17R1.7892 OCCCCCCCCCCNCC1CCC1 2230a_100000066964_100000763275 [0,0,0,1,0,0|1,0,2]=4 4772 B17R1.7892 OCCCCCCCCCCNCC1CCC1 2230a_100000738700_100009813290 [0,0,0,1,0,0|1,0,2]=4 4773 B17R1.7892 OCCCCCCCCCCNCC1CCC1 269862a_100000066964_100000753134 [0,0,0,1,0,0|1,0,2]=4 4774 B17R1.7892 OCCCCCCCCCCNCC1CCC1 34a_100000066964_100000763275 [0,0,0,1,0,0|1,0,2]=4 4775 B17R1.7892 OCCCCCCCCCCNCC1CCC1 34a_100000738700_100009813290 [0,0,0,1,0,0|1,0,2]=4 4776 B17R1.7892 OCCCCCCCCCCOCC1CCC1 34a_100000760304_100009813290 [0,0,0,1,0,0|1,0,2]=4 4777 B17R1.7892 OCCCCCCCCCCSCC1CCC1 62a_100000763275_200000033068 [0,0,0,1,0,0|1,0,2]=4 4778 B17R1.7892 OCCCCCCCCCCSCC1CCC1 62a_100009813290_100000763275 [0,0,0,1,0,0|1,0,2]=4 4779 B17R1.7906 CCCCC1CCCC1NCCCCCC#N 270004a_100000061152_100000750825 [0,0,0,1,0,0|2,0,1]=4 4780 B17R1.7906 CCCCC1CCCC1NCCCCCCO 269862a_100000686447_100000750825 [0,0,0,1,0,0|1,0,2]=4 4781 B17R1.7906 CCCCC1CCCC1NCCCCCCO 270004a_100000686447_100000750825 [0,0,0,1,0,0|1,0,2]=4 4782 B17R1.7906 CCCCC1CCCC1NCCCCCOC 269862a_100000747528_100000750825 [0,0,0,1,0,0|3,0,0]=4 4783 B17R1.7906 CCCCC1CCCC1NCCCCCOC 270004a_100000747528_100000750825 [0,0,0,1,0,0|3,0,0]=4 4784 B17R1.7906 CCCCCCCNC1CCCC1CCC#N 270004a_100000229938_100000073560 [0,0,0,1,0,0|2,0,1]=4 4785 B17R1.7906 CCCCCCCNC1CCCC1CCCC 269862a_100000229938_100000750825 [0,0,0,1,0,0|2,0,1]=4 4786 B17R1.7906 CCCCCCCNC1CCCC1CCCC 270004a_100000229938_100000750825 [0,0,0,1,0,0|2,0,1]=4 4787 B17R1.10640 C#CCCCCCCN1CCCCC1CCC 2230a_100000701414_100012276617 [0,0,0,1,0,0|2,0,1]=4 4788 B17R1.10640 C#CCCCCCCN1CCCCC1CCC 269982a_100000701414_100012276617 [0,0,0,1,0,0|2,0,1]=4 4789 B17R1.10640 C#CCCCCCCN1CCCCC1CCC 34a_100000701414_100012276617 [0,0,0,1,0,0|2,0,1]=4 4790 B17R1.10640 C#CCCCCCOC1CCCCC1CCC 34a_100011217265_100012094781 [0,0,0,1,0,0|2,0,1]=4 4791 B17R1.10640 C#CCCCCCOC1CCCCC1CCC 7a_100011217265_100012094781 [0,0,0,1,0,0|2,0,1]=4 4792 B17R1.10640 C=CCC1CCCCC1NCCCCCCC 269862a_100000229938_100011214939 [0,0,0,1,0,0|2,0,0]=3 4793 B17R1.10640 C=CCC1CCCCC1NCCCCCCC 270004a_100000229938_100011214939 [0,0,0,1,0,0|2,0,0]=3 4794 B17R1.10640 C=CCC1CCCCC1NCCCCCCO 269862a_100000686447_100011214939 [0,0,0,1,0,0|3,0,0]=4 4795 B17R1.10640 C=CCC1CCCCC1NCCCCCCO 270004a_100000686447_100011214939 [0,0,0,1,0,0|3,0,0]=4 4796 B17R1.10640 C=CCC1CCCCC1NCCCCCOC 269862a_100000747528_100011214939 [0,0,0,1,0,0|3,0,0]=4 4797 B17R1.10640 C=CCC1CCCCC1NCCCCCOC 270004a_100000747528_100011214939 [0,0,0,1,0,0|3,0,0]=4 4798 B17R1.10640 C=CCC1CCCCC1NCCCOCCC 269862a_100011217757_100011214939 [0,0,0,1,0,0|3,0,0]=4 4799 B17R1.10640 C=CCC1CCCCC1NCCCOCCC 270004a_100011217757_100011214939 [0,0,0,1,0,0|3,0,0]=4 4800 B17R1.10640 C=CCC1CCCCC1NCCSCCCC 269862a_100025743550_100011214939 [0,0,0,1,0,0|3,0,0]=4 4801 B17R1.10640 C=CCC1CCCCC1NCCSCCCC 270004a_100025743550_100011214939 [0,0,0,1,0,0|3,0,0]=4 4802 B17R1.10640 C=CCCCCCCN1CCCCC1CCC 2230a_100000701414_100011215473 [0,0,0,1,0,0|2,0,0]=3 4803 B17R1.10640 C=CCCCCCCN1CCCCC1CCC 269982a_100000701414_100011215473 [0,0,0,1,0,0|2,0,0]=3 4804 B17R1.10640 C=CCCCCCCN1CCCCC1CCC 34a_100000701414_100011215473 [0,0,0,1,0,0|2,0,0]=3 4805 B17R1.10640 C=CCCCCCCN1CCCCC1CCO 2230a_100000211664_100011215473 [0,0,0,1,0,0|3,0,0]=4 4806 B17R1.10640 C=CCCCCCCN1CCCCC1CCO 269982a_100000211664_100011215473 [0,0,0,1,0,0|3,0,0]=4 4807 B17R1.10640 C=CCCCCCCN1CCCCC1CCO 34a_100000211664_100011215473 [0,0,0,1,0,0|3,0,0]=4 4808 B17R1.10640 C=CCCCCCCN1CCCCC1COC 2230a_100015184032_100011215473 [0,0,0,1,0,0|3,0,0]=4 4809 B17R1.10640 C=CCCCCCCN1CCCCC1COC 269982a_100015184032_100011215473 [0,0,0,1,0,0|3,0,0]=4 4810 B17R1.10640 C=CCCCCCCN1CCCCC1COC 34a_100015184032_100011215473 [0,0,0,1,0,0|3,0,0]=4 4811 B17R1.10640 C=CCCCCCCN1CCOCC1CCC 2230a_102495339903_100011215473 [0,0,0,1,0,0|3,0,0]=4 4812 B17R1.10640 C=CCCCCCCN1CCOCC1CCC 269982a_102495339903_100011215473 [0,0,0,1,0,0|3,0,0]=4 4813 B17R1.10640 C=CCCCCCCN1CCOCC1CCC 34a_102495339903_100011215473 [0,0,0,1,0,0|3,0,0]=4 4814 B17R1.10640 CCCC1CCCCC1NCCCCCC#N 270004a_100000061152_100011218038 [0,0,0,1,0,0|2,0,1]=4 4815 B17R1.10640 CCCC1CCCCC1NCCCCCCO 269862a_100000686447_100011218038 [0,0,0,1,0,0|1,0,2]=4 4816 B17R1.10640 CCCC1CCCCC1NCCCCCCO 270004a_100000686447_100011218038 [0,0,0,1,0,0|1,0,2]=4 4817 B17R1.10640 CCCC1CCCCC1NCCCCCOC 269862a_100000747528_100011218038 [0,0,0,1,0,0|3,0,0]=4 4818 B17R1.10640 CCCC1CCCCC1NCCCCCOC 270004a_100000747528_100011218038 [0,0,0,1,0,0|3,0,0]=4 4819 B17R1.10640 CCCC1CCCCC1OCCCCCC#N 7a_100011217265_100009813376 [0,0,0,1,0,0|2,0,1]=4 4820 B17R1.10640 CCCC1CCCCC1OCCCCCC=O 7a_100011217265_100000139337 [0,0,0,1,0,0|1,0,0]=2 4821 B17R1.10640 CCCC1CCCCC1OCCCCCCF 34a_100011217265_100015922095 [0,0,0,1,0,0|2,0,1]=4 4822 B17R1.10640 CCCC1CCCCC1OCCCCCCF 7a_100011217265_100015922095 [0,0,0,1,0,0|2,0,1]=4 4823 B17R1.10640 CCCC1CCCCC1OCCCCCCO 34a_100011217265_100000766143 [0,0,0,1,0,0|1,0,2]=4 4824 B17R1.10640 CCCC1CCCCC1OCCCCCCO 7a_100011217265_100000766143 [0,0,0,1,0,0|1,0,2]=4 4825 B17R1.10640 CCCC1CCCCN1CCCCCCC#N 2230a_100000701414_100009813337 [0,0,0,1,0,0|2,0,1]=4 4826 B17R1.10640 CCCC1CCCCN1CCCCCCC#N 269982a_100000701414_100009813337 [0,0,0,1,0,0|2,0,1]=4 4827 B17R1.10640 CCCC1CCCCN1CCCCCCCO 2230a_100000701414_100000760002 [0,0,0,1,0,0|1,0,2]=4 4828 B17R1.10640 CCCC1CCCCN1CCCCCCCO 269982a_100000701414_100000760002 [0,0,0,1,0,0|1,0,2]=4 4829 B17R1.10640 CCCC1CCCCN1CCCCCCCO 34a_100000701414_100000760002 [0,0,0,1,0,0|1,0,2]=4 4830 B17R1.10640 CCCC1CCCCN1CCCCCCOC 2230a_100000701414_100011998445 [0,0,0,1,0,0|3,0,0]=4 4831 B17R1.10640 CCCC1CCCCN1CCCCCCOC 269982a_100000701414_100011998445 [0,0,0,1,0,0|3,0,0]=4 4832 B17R1.10640 CCCC1CCCCN1CCCCCCOC 34a_100000701414_100011998445 [0,0,0,1,0,0|3,0,0]=4 4833 B17R1.10640 CCCCCCCCN1CCCCC1CC#N 2230a_100000133382_100000210759 [0,0,0,1,0,0|2,0,1]=4 4834 B17R1.10640 CCCCCCCCN1CCCCC1CC#N 34a_100000133382_100000210759 [0,0,0,1,0,0|2,0,1]=4 4835 B17R1.10640 CCCCCCCCN1CCCCC1CCO 2230a_100000211664_100000210759 [0,0,0,1,0,0|1,0,2]=4 4836 B17R1.10640 CCCCCCCCN1CCCCC1CCO 269982a_100000211664_100000210759 [0,0,0,1,0,0|1,0,2]=4 4837 B17R1.10640 CCCCCCCCN1CCCCC1CCO 34a_100000211664_100000210759 [0,0,0,1,0,0|1,0,2]=4 4838 B17R1.10640 CCCCCCCCN1CCCCC1COC 2230a_100015184032_100000210759 [0,0,0,1,0,0|3,0,0]=4 4839 B17R1.10640 CCCCCCCCN1CCCCC1COC 269982a_100015184032_100000210759 [0,0,0,1,0,0|3,0,0]=4 4840 B17R1.10640 CCCCCCCCN1CCCCC1COC 34a_100015184032_100000210759 [0,0,0,1,0,0|3,0,0]=4 4841 B17R1.10640 CCCCCCCNC1CCCCC1CC#N 270004a_100000229938_100009866218 [0,0,0,1,0,0|2,0,1]=4 4842 B17R1.10640 CCCCCCCNC1CCCCC1CCC 269862a_100000229938_100011218038 [0,0,0,1,0,0|2,0,1]=4 4843 B17R1.10640 CCCCCCCNC1CCCCC1CCC 270004a_100000229938_100011218038 [0,0,0,1,0,0|2,0,1]=4 4844 B17R1.10642 C#CCCCCCCN1CCCCCCCC1 2230a_100000039187_100012276617 [0,0,0,1,0,0|2,0,1]=4 4845 B17R1.10642 C#CCCCCCCN1CCCCCCCC1 269982a_100000039187_100012276617 [0,0,0,1,0,0|2,0,1]=4 4846 B17R1.10642 C#CCCCCCCN1CCCCCCCC1 34a_100000039187_100012276617 [0,0,0,1,0,0|2,0,1]=4 4847 B17R1.10642 C=CCCCCCCN1CCCCCCCC1 2230a_100000039187_100011215473 [0,0,0,1,0,0|2,0,0]=3 4848 B17R1.10642 C=CCCCCCCN1CCCCCCCC1 269982a_100000039187_100011215473 [0,0,0,1,0,0|2,0,0]=3 4849 B17R1.10642 C=CCCCCCCN1CCCCCCCC1 34a_100000039187_100011215473 [0,0,0,1,0,0|2,0,0]=3 4850 B17R1.10642 COCCCCCCN1CCCCCCCC1 2230a_100000039187_100011998445 [0,0,0,1,0,0|3,0,0]=4 4851 B17R1.10642 COCCCCCCN1CCCCCCCC1 269982a_100000039187_100011998445 [0,0,0,1,0,0|3,0,0]=4 4852 B17R1.10642 COCCCCCCN1CCCCCCCC1 34a_100000039187_100011998445 [0,0,0,1,0,0|3,0,0]=4 4853 B17R1.10642 COCCCCCNC1CCCCCCCC1 270004a_100000747528_100000038600 [0,0,0,1,0,0|3,0,0]=4 4854 B17R1.10642 N#CCCCCCCN1CCCCCCCC1 2230a_100000039187_100009813337 [0,0,0,1,0,0|2,0,1]=4 4855 B17R1.10642 N#CCCCCCCN1CCCCCCCC1 269982a_100000039187_100009813337 [0,0,0,1,0,0|2,0,1]=4 4856 B17R1.10642 N#CCCCCCNC1CCCCCCCC1 270004a_100000061152_100000038600 [0,0,0,1,0,0|2,0,1]=4 4857 B17R1.10642 OCCCCCCCN1CCCCCCCC1 2230a_100000039187_100000760002 [0,0,0,1,0,0|1,0,2]=4 4858 B17R1.10642 OCCCCCCCN1CCCCCCCC1 269982a_100000039187_100000760002 [0,0,0,1,0,0|1,0,2]=4 4859 B17R1.10642 OCCCCCCCN1CCCCCCCC1 34a_100000039187_100000760002 [0,0,0,1,0,0|1,0,2]=4 4860 B17R1.10642 OCCCCCCNC1CCCCCCCC1 270004a_100000686447_100000038600 [0,0,0,1,0,0|1,0,2]=4 4861 B17R1.16926 C=CCCCCCCCCN1CCC1COC 2230a_100015195929_100011933949 [0,0,0,1,0,0|3,0,0]=4 4862 B17R1.16926 C=CCCCCCCCCN1CCC1COC 269982a_100015195929_100011933949 [0,0,0,1,0,0|3,0,0]=4 4863 B17R1.16926 C=CCCCCCCCCN1CCC1COC 34a_100015195929_100011933949 [0,0,0,1,0,0|3,0,0]=4 4864 B17R1.16926 CCCCCCCCCCN1CCC1COC 2230a_100015195929_100000210320 [0,0,0,1,0,0|3,0,0]=4 4865 B17R1.16926 CCCCCCCCCCN1CCC1COC 269982a_100015195929_100000210320 [0,0,0,1,0,0|3,0,0]=4 4866 B17R1.16926 CCCCCCCCCCN1CCC1COC 34a_100015195929_100000210320 [0,0,0,1,0,0|3,0,0]=4 4867 B17R1.25266 C=CCCCCCCCN1CCC[C@H]1COC 2230a_100020646714_100012355270 [0,0,0,1,0,0|3,0,0]=4 4868 B17R1.25266 C=CCCCCCCCN1CCC[C@H]1COC 269982a_100020646714_100012355270 [0,0,0,1,0,0|3,0,0]=4 4869 B17R1.25266 C=CCCCCCCCN1CCC[C@H]1COC 34a_100020646714_100012355270 [0,0,0,1,0,0|3,0,0]=4 4870 B17R1.25266 C=CCCCCCOCC1CCCN1CCC 34a_200000694710_100000700193 [0,0,0,1,0,0|3,0,0]=4 4871 B17R1.25266 C=CCCCCCOCC1CCCN1CCC 7a_200000694710_100000700193 [0,0,0,1,0,0|3,0,0]=4 4872 B17R1.25266 CCCC1CCCC1NCCCCCCCO 269862a_100011996573_100000723119 [0,0,0,1,0,0|1,0,2]=4 4873 B17R1.25266 CCCC1CCCC1NCCCCCCCO 270004a_100011996573_100000723119 [0,0,0,1,0,0|1,0,2]=4 4874 B17R1.25266 CCCCCCCCCN1CCC[C@H]1COC 2230a_100020646714_100011214924 [0,0,0,1,0,0|3,0,0]=4 4875 B17R1.25266 CCCCCCCCCN1CCC[C@H]1COC 269982a_100020646714_100000210670 [0,0,0,1,0,0|3,0,0]=4 4876 B17R1.25266 CCCCCCCCCN1CCC[C@H]1COC 34a_100020646714_100011214924 [0,0,0,1,0,0|3,0,0]=4 4877 B17R1.25266 CCCCCCCCNC1CCCC1CCC 269862a_100000229939_100000723119 [0,0,0,1,0,0|2,0,1]=4 4878 B17R1.25266 CCCCCCCCNC1CCCC1CCC 270004a_100000229939_100000723119 [0,0,0,1,0,0|2,0,1]=4 4879 B17R1.25266 CCCN1CCCC1COCCCCCC=O 7a_200000694710_100000139337 [0,0,0,1,0,0|2,0,0]=3 4880 B17R1.25275 C#CCCCCCCCN1CCCCCCC1 2230a_100000211400_100153394163 [0,0,0,1,0,0|2,0,1]=4 4881 B17R1.25275 C#CCCCCCCCN1CCCCCCC1 269982a_100000211400_100153394163 [0,0,0,1,0,0|2,0,1]=4 4882 B17R1.25275 C#CCCCCCCCN1CCCCCCC1 34a_100000211400_100153394163 [0,0,0,1,0,0|2,0,1]=4 4883 B17R1.25275 C#CCCCCCCNC1CCCCCCC1 2230a_100000211152_100012276617 [0,0,0,1,0,0|2,0,1]=4 4884 B17R1.25275 C#CCCCCCCNC1CCCCCCC1 34a_100000211152_100012276617 [0,0,0,1,0,0|2,0,1]=4 4885 B17R1.25275 C#CCCCCCCOC1CCCCCCC1 34a_100000210054_100012276617 [0,0,0,1,0,0|2,0,1]=4 4886 B17R1.25275 C#CCCCCCCOC1CCCCCCC1 7a_100000210054_100012276617 [0,0,0,1,0,0|2,0,1]=4 4887 B17R1.25275 C#CCCCCCOCC1CCCCCCC1 34a_100011216312_100012094781 [0,0,0,1,0,0|2,0,1]=4 4888 B17R1.25275 C#CCCCCCOCC1CCCCCCC1 7a_100011216312_100012094781 [0,0,0,1,0,0|2,0,1]=4 4889 B17R1.25275 C#CCCCCNCCC1CCCCCCC1 2230a_100011532352_100010269958 [0,0,0,1,0,0|2,0,1]=4 4890 B17R1.25275 C#CCCCCNCCC1CCCCCCC1 34a_100011532352_100010269958 [0,0,0,1,0,0|2,0,1]=4 4891 B17R1.25275 C=CCCCCCCCN1CCCCCCC1 2230a_100000211400_100012355270 [0,0,0,1,0,0|2,0,0]=3 4892 B17R1.25275 C=CCCCCCCCN1CCCCCCC1 269982a_100000211400_100012355270 [0,0,0,1,0,0|2,0,0]=3 4893 B17R1.25275 C=CCCCCCCCN1CCCCCCC1 34a_100000211400_100012355270 [0,0,0,1,0,0|2,0,0]=3 4894 B17R1.25275 C=CCCCCCCNC1CCCCCCC1 2230a_100000211152_100011215473 [0,0,0,1,0,0|2,0,0]=3 4895 B17R1.25275 C=CCCCCCCNC1CCCCCCC1 34a_100000211152_100011215473 [0,0,0,1,0,0|2,0,0]=3 4896 B17R1.25275 C=CCCCCNCCC1CCCCCCC1 2230a_100011532352_100011215482 [0,0,0,1,0,0|2,0,0]=3 4897 B17R1.25275 C=CCCCCNCCC1CCCCCCC1 34a_100011532352_100011215482 [0,0,0,1,0,0|2,0,0]=3 4898 B17R1.25275 CCCCCCNCCC1CCCCCCC1 2230a_100011532352_100000210314 [0,0,0,1,0,0|2,0,1]=4 4899 B17R1.25275 CCCCCCNCCC1CCCCCCC1 34a_100011532352_100000210314 [0,0,0,1,0,0|2,0,1]=4 4900 B17R1.25275 COCCCCCCNC1CCCCCCC1 2230a_100000211152_100011998445 [0,0,0,1,0,0|3,0,0]=4 4901 B17R1.25275 COCCCCCCNC1CCCCCCC1 34a_100000211152_100011998445 [0,0,0,1,0,0|3,0,0]=4 4902 B17R1.25275 COCCCCCCOC1C=CCCCCC1 34a_100000688657_100011998445 [0,0,0,1,0,0|3,0,0]=4 4903 B17R1.25275 COCCCCCCOC1CCCCCCC1 34a_100000210054_100011998445 [0,0,0,1,0,0|3,0,0]=4 4904 B17R1.25275 COCCCCCCOC1CCCCCCC1 7a_100000210054_100011998445 [0,0,0,1,0,0|3,0,0]=4 4905 B17R1.25275 COCCCCNCCC1CCCCCCC1 2230a_100011532352_100000730899 [0,0,0,1,0,0|3,0,0]=4 4906 B17R1.25275 COCCCCNCCC1CCCCCCC1 34a_100011532352_100000755781 [0,0,0,1,0,0|3,0,0]=4 4907 B17R1.25275 FCCCCCCOCC1CCCCCCC1 34a_100011216312_100015922095 [0,0,0,1,0,0|2,0,1]=4 4908 B17R1.25275 FCCCCCCOCC1CCCCCCC1 7a_100011216312_100015922095 [0,0,0,1,0,0|2,0,1]=4 4909 B17R1.25275 FCCCCCNCCC1CCCCCCC1 2230a_100011532352_100000729378 [0,0,0,1,0,0|2,0,1]=4 4910 B17R1.25275 FCCCCCNCCC1CCCCCCC1 34a_100011532352_100000729378 [0,0,0,1,0,0|2,0,1]=4 4911 B17R1.25275 N#CCCCCCCNC1CCCCCCC1 2230a_100000211152_100009813337 [0,0,0,1,0,0|2,0,1]=4 4912 B17R1.25275 N#CCCCCCCOC1CCCCCCC1 7a_100000210054_100009813337 [0,0,0,1,0,0|2,0,1]=4 4913 B17R1.25275 N#CCCCCCOCC1CCCCCCC1 7a_100011216312_100009813376 [0,0,0,1,0,0|2,0,1]=4 4914 B17R1.25275 N#CCCCCNCCC1CCCCCCC1 2230a_100011532352_100000211819 [0,0,0,1,0,0|2,0,1]=4 4915 B17R1.25275 O=CCCCCCNCC1CC/C=C\CCC1 2230a_100102730862_100000139337 [0,0,0,1,0,0|1,0,2]=4 4916 B17R1.25275 O=CCCCCCOCC1CCCCCCC1 7a_100011216312_100000139337 [0,0,0,1,0,0|1,0,0]=2 4917 B17R1.25275 O=CCCCCNCCC1CCCCCCC1 2230a_100011532352_100000139335 [0,0,0,1,0,0|1,0,0]=2 4918 B17R1.25275 OCCCCCCCCN1CCCCCCC1 2230a_100000211400_100000033203 [0,0,0,1,0,0|1,0,2]=4 4919 B17R1.25275 OCCCCCCCCN1CCCCCCC1 269982a_100000211400_100000033203 [0,0,0,1,0,0|1,0,2]=4 4920 B17R1.25275 OCCCCCCCCN1CCCCCCC1 34a_100000211400_100000033203 [0,0,0,1,0,0|1,0,2]=4 4921 B17R1.25275 OCCCCCCCNC1CCCCCCC1 2230a_100000211152_100000760002 [0,0,0,1,0,0|1,0,2]=4 4922 B17R1.25275 OCCCCCCCNC1CCCCCCC1 270004a_100011996573_100000210524 [0,0,0,1,0,0|1,0,2]=4 4923 B17R1.25275 OCCCCCCCNC1CCCCCCC1 34a_100000211152_100000760002 [0,0,0,1,0,0|1,0,2]=4 4924 B17R1.25275 OCCCCCCCOC1C=CCCCCC1 34a_100000688657_100000760002 [0,0,0,1,0,0|3,0,0]=4 4925 B17R1.25275 OCCCCCCCOC1CCCCCCC1 34a_100000210054_100000760002 [0,0,0,1,0,0|1,0,2]=4 4926 B17R1.25275 OCCCCCCCOC1CCCCCCC1 7a_100000210054_100000760002 [0,0,0,1,0,0|1,0,2]=4 4927 B17R1.25275 OCCCCCCOCC1CCCCCCC1 34a_100011216312_100000766143 [0,0,0,1,0,0|1,0,2]=4 4928 B17R1.25275 OCCCCCCOCC1CCCCCCC1 7a_100011216312_100000766143 [0,0,0,1,0,0|1,0,2]=4 4929 B17R1.25275 OCCCCCNCCC1CCCCCCC1 2230a_100011532352_100000746330 [0,0,0,1,0,0|1,0,2]=4 4930 B17R1.25275 OCCCCCNCCC1CCCCCCC1 34a_100011532352_100000746330 [0,0,0,1,0,0|1,0,2]=4 4931 B17R1.29093 C#CCCCCCCCCCCOCC1CC1 34a_100000054667_100000742324 [0,0,0,1,0,0|2,0,1]=4 4932 B17R1.29093 C#CCCCCCCCCCCOCC1CC1 7a_100000054667_100000742324 [0,0,0,1,0,0|2,0,1]=4 4933 B17R1.29093 C#CCCCCCCCCCOCCC1CC1 34a_100000034437_100000694398 [0,0,0,1,0,0|2,0,1]=4 4934 B17R1.29093 C#CCCCCCCCCCOCCC1CC1 7a_100000034437_100000764125 [0,0,0,1,0,0|2,0,1]=4 4935 B17R1.29093 C=CCCCCCCCCCCCNC1CC1 34a_100000212008_102130925996 [0,0,0,1,0,0|2,0,0]=3 4936 B17R1.29093 C=CCCCCCCCCCCNCC1CC1 2230a_100000735609_100011093070 [0,0,0,1,0,0|2,0,0]=3 4937 B17R1.29093 C=CCCCCCCCCCCNCC1CC1 34a_100000735609_100011093070 [0,0,0,1,0,0|2,0,0]=3 4938 B17R1.29093 C=CCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100011093070 [0,0,0,1,0,0|3,0,0]=4 4939 B17R1.29093 C=CCCCCCCCCCCSCC1CO1 62a_100011093070_102125554688 [0,0,0,1,0,0|3,0,0]=4 4940 B17R1.29093 C=CCCCCCCCCCCSCC1CO1 62a_102125554688_100011093070 [0,0,0,1,0,0|3,0,0]=4 4941 B17R1.29093 C=CCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100011093070 [0,0,0,1,0,0|3,0,0]=4 4942 B17R1.29093 C=CCCCCCCCCCCSC[C@@H]1CO1 62a_100011093070_100000745022 [0,0,0,1,0,0|3,0,0]=4 4943 B17R1.29093 C=CCCCCCCCCCNCCC1CC1 2230a_100000081888_100000694398 [0,0,0,1,0,0|2,0,0]=3 4944 B17R1.29093 C=CCCCCCCCCCNCCC1CC1 34a_100000081888_100000694398 [0,0,0,1,0,0|2,0,0]=3 4945 B17R1.29093 C=CCCCCCCCCCNCCC1CC1 34a_100000764129_100009814027 [0,0,0,1,0,0|2,0,0]=3 4946 B17R1.29093 C=CCCCCCCCCCNCCC1CO1 2230a_100000081888_100000732470 [0,0,0,1,0,0|3,0,0]=4 4947 B17R1.29093 C=CCCCCCCCCCNCCC1CO1 34a_100000081888_100000732470 [0,0,0,1,0,0|3,0,0]=4 4948 B17R1.29093 C=CCCCCCCCCCOCCC1CO1 34a_100000038209_100000732470 [0,0,0,1,0,0|3,0,0]=4 4949 B17R1.29093 C=CCCCCCCCCCOCCC1CO1 7a_100000038209_100000732470 [0,0,0,1,0,0|3,0,0]=4 4950 B17R1.29093 C=CCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100009814027 [0,0,0,1,0,0|3,0,0]=4 4951 B17R1.29093 C=CCCCCCCCCCSCCC1CO1 62a_100000732470_100009814027 [0,0,0,1,0,0|3,0,0]=4 4952 B17R1.29093 C=CCCCCCCCCCSCCC1CO1 62a_100009814027_100000732470 [0,0,0,1,0,0|3,0,0]=4 4953 B17R1.29093 C=CCCCCCCCCOCCCC1CO1 34a_100011215194_100000733510 [0,0,0,1,0,0|3,0,0]=4 4954 B17R1.29093 C=CCCCCCCCCOCCCC1CO1 7a_100011215194_100000733510 [0,0,0,1,0,0|3,0,0]=4 4955 B17R1.29093 C=CCCCCCCCCOCCNC1CC1 34a_100000738766_100011933949 [0,0,0,1,0,0|3,0,0]=4 4956 B17R1.29093 C=CCCCCCCCCSCCCC1CO1 62a_100000733510_100011933949 [0,0,0,1,0,0|3,0,0]=4 4957 B17R1.29093 C=CCCCCCCCCSCCCC1CO1 62a_100011933949_100000733510 [0,0,0,1,0,0|3,0,0]=4 4958 B17R1.29093 CCCCCCCCCCCCNCC1CC1 2230a_100000210451_100000742324 [0,0,0,1,0,0|2,0,1]=4 4959 B17R1.29093 CCCCCCCCCCCCNCC1CC1 2230a_100000735609_100011215052 [0,0,0,1,0,0|2,0,1]=4 4960 B17R1.29093 CCCCCCCCCCCCNCC1CC1 269862a_100000210451_100000741477 [0,0,0,1,0,0|2,0,1]=4 4961 B17R1.29093 CCCCCCCCCCCCNCC1CC1 270004a_100000735609_100011218549 [0,0,0,1,0,0|2,0,1]=4 4962 B17R1.29093 CCCCCCCCCCCCNCC1CC1 34a_100000210451_100000742324 [0,0,0,1,0,0|2,0,1]=4 4963 B17R1.29093 CCCCCCCCCCCCNCC1CC1 34a_100000735609_100000759014 [0,0,0,1,0,0|2,0,1]=4 4964 B17R1.29093 CCCCCCCCCCCCNCC1CO1 2230a_100000210451_100011216344 [0,0,0,1,0,0|1,0,2]=4 4965 B17R1.29093 CCCCCCCCCCCCNCC1CO1 34a_100000210451_102125554688 [0,0,0,1,0,0|1,0,2]=4 4966 B17R1.29093 CCCCCCCCCCCCOCC1CO1 34a_100000210810_102125554688 [0,0,0,1,0,0|1,0,2]=4 4967 B17R1.29093 CCCCCCCCCCCCOCC1CO1 7a_100000210810_102125554688 [0,0,0,1,0,0|1,0,2]=4 4968 B17R1.29093 CCCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000759014 [0,0,0,1,0,0|1,0,2]=4 4969 B17R1.29093 CCCCCCCCCCCCOC[C@@H]1CO1 7a_100000210810_100000745022 [0,0,0,1,0,0|1,0,2]=4 4970 B17R1.29093 CCCCCCCCCCCNCCC1CC1 2230a_200011215754_100000694398 [0,0,0,1,0,0|2,0,1]=4 4971 B17R1.29093 CCCCCCCCCCCNCCC1CC1 34a_100000764129_100011215454 [0,0,0,1,0,0|2,0,1]=4 4972 B17R1.29093 CCCCCCCCCCCNCCC1CC1 34a_200011215754_100000694398 [0,0,0,1,0,0|2,0,1]=4 4973 B17R1.29093 CCCCCCCCCCCNCCC1CO1 2230a_200011215754_100000732470 [0,0,0,1,0,0|1,0,2]=4 4974 B17R1.29093 CCCCCCCCCCCNCCC1CO1 34a_200011215754_100000732470 [0,0,0,1,0,0|1,0,2]=4 4975 B17R1.29093 CCCCCCCCCCCOCCC1CO1 34a_100000210809_100000732470 [0,0,0,1,0,0|1,0,2]=4 4976 B17R1.29093 CCCCCCCCCCCOCCC1CO1 7a_100000210809_100000732470 [0,0,0,1,0,0|1,0,2]=4 4977 B17R1.29093 CCCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100011215454 [0,0,0,1,0,0|1,0,2]=4 4978 B17R1.29093 CCCCCCCCCCNCCCC1CO1 2230a_100000684558_100000733510 [0,0,0,1,0,0|1,0,2]=4 4979 B17R1.29093 CCCCCCCCCCNCCCC1CO1 34a_100000684558_100000733510 [0,0,0,1,0,0|1,0,2]=4 4980 B17R1.29093 CCCCCCCCCCOCCCC1CO1 34a_100000210711_100000733510 [0,0,0,1,0,0|1,0,2]=4 4981 B17R1.29093 CCCCCCCCCCOCCCC1CO1 7a_100000210711_100000733510 [0,0,0,1,0,0|1,0,2]=4 4982 B17R1.29093 NCCCCCCCCCCCCOC1CC1 34a_100000066677_100000211595 [0,0,0,1,0,0|2,0,1]=4 4983 B17R1.29093 NCCCCCCCCCCOCCC1CC1 34a_100000066964_100000694398 [0,0,0,1,0,0|2,0,1]=4 4984 B17R1.29093 O=CCCCCCOCCCCOCC1CO1 7a_100010889290_100000139337 [0,0,0,1,0,0|3,0,0]=4 4985 B17R1.29093 OCCCCCCCCCCCCNC1CC1 34a_100000066677_100000211595 [0,0,0,1,0,0|1,0,2]=4 4986 B17R1.29093 OCCCCCCCCCCCCNC1CC1 34a_100000212008_100009813331 [0,0,0,1,0,0|1,0,2]=4 4987 B17R1.29093 OCCCCCCCCCCCCSC1CC1 62a_100009813331_100000211595 [0,0,0,1,0,0|1,0,2]=4 4988 B17R1.29093 OCCCCCCCCCCCNCC1CC1 2230a_100000735609_100009812471 [0,0,0,1,0,0|1,0,2]=4 4989 B17R1.29093 OCCCCCCCCCCCNCC1CC1 34a_100000735609_100009812471 [0,0,0,1,0,0|1,0,2]=4 4990 B17R1.29093 OCCCCCCCCCCCOCC1CC1 34a_100000211283_100009812471 [0,0,0,1,0,0|1,0,2]=4 4991 B17R1.29093 OCCCCCCCCCCCSCC1CC1 62a_100009812471_100000742324 [0,0,0,1,0,0|1,0,2]=4 4992 B17R1.29093 OCCCCCCCCCCNCCC1CC1 2230a_100000066964_100000694398 [0,0,0,1,0,0|1,0,2]=4 4993 B17R1.29093 OCCCCCCCCCCNCCC1CC1 34a_100000066964_100000694398 [0,0,0,1,0,0|1,0,2]=4 4994 B17R1.29093 OCCCCCCCCCCNCCC1CC1 34a_100000764129_100009813290 [0,0,0,1,0,0|1,0,2]=4 4995 B17R1.29093 OCCCCCCCCCCOCCC1CC1 34a_100000754188_100009813290 [0,0,0,1,0,0|1,0,2]=4 4996 B17R1.29093 OCCCCCCCCCCOCCC1CC1 7a_100000754188_100009813290 [0,0,0,1,0,0|1,0,2]=4 4997 B17R1.29093 OCCCCCCCCCCSCCC1CC1 62a_100000764125_200000033068 [0,0,0,1,0,0|1,0,2]=4 4998 B17R1.29093 OCCCCCCCCCCSCCC1CC1 62a_100009813290_100000764125 [0,0,0,1,0,0|1,0,2]=4 4999 B17R1.29199 C#CCCCCCCCNC1CCCCCC1 2230a_100000210984_100153394163 [0,0,0,1,0,0|2,0,1]=4 5000 B17R1.29199 C#CCCCCCCCNC1CCCCCC1 34a_100000210984_100153394163 [0,0,0,1,0,0|2,0,1]=4 5001 B17R1.29199 C#CCCCCCCCOC1CCCCCC1 34a_100000054614_100011217769 [0,0,0,1,0,0|2,0,1]=4 5002 B17R1.29199 C#CCCCCCCCOC1CCCCCC1 34a_100000210887_100153394163 [0,0,0,1,0,0|2,0,1]=4 5003 B17R1.29199 C#CCCCCCCCOC1CCCCCC1 7a_100000210887_100153394163 [0,0,0,1,0,0|2,0,1]=4 5004 B17R1.29199 C#CCCCCCCNCC1CCCCCC1 2230a_100015204231_100012276617 [0,0,0,1,0,0|2,0,1]=4 5005 B17R1.29199 C#CCCCCCCNCC1CCCCCC1 34a_100015204231_100012276617 [0,0,0,1,0,0|2,0,1]=4 5006 B17R1.29199 C#CCCCCCCOCC1CCCCCC1 34a_100000699130_100012276617 [0,0,0,1,0,0|2,0,1]=4 5007 B17R1.29199 C#CCCCCCCOCC1CCCCCC1 34a_100011217361_200000696569 [0,0,0,1,0,0|2,0,1]=4 5008 B17R1.29199 C#CCCCCCCOCC1CCCCCC1 7a_100000699130_100012276617 [0,0,0,1,0,0|2,0,1]=4 5009 B17R1.29199 C#CCCCCCCOCC1CCCCCC1 7a_100011217361_200000696569 [0,0,0,1,0,0|2,0,1]=4 5010 B17R1.29199 C#CCCCCCNCCC1CCCCCC1 2230a_100011532351_100012094781 [0,0,0,1,0,0|2,0,1]=4 5011 B17R1.29199 C#CCCCCCNCCC1CCCCCC1 34a_100011532351_100012094781 [0,0,0,1,0,0|2,0,1]=4 5012 B17R1.29199 C=CCCCCCCCCN1CCCCCC1 2230a_100000185865_100011933949 [0,0,0,1,0,0|2,0,0]=3 5013 B17R1.29199 C=CCCCCCCCCN1CCCCCC1 269982a_100000185865_100011933949 [0,0,0,1,0,0|2,0,0]=3 5014 B17R1.29199 C=CCCCCCCCCN1CCCCCC1 34a_100000185865_100011933949 [0,0,0,1,0,0|2,0,0]=3 5015 B17R1.29199 C=CCCCCCCCCN1CCCOCC1 2230a_100000685342_100011933949 [0,0,0,1,0,0|3,0,0]=4 5016 B17R1.29199 C=CCCCCCCCCN1CCCOCC1 269982a_100000685342_100011933949 [0,0,0,1,0,0|3,0,0]=4 5017 B17R1.29199 C=CCCCCCCCCN1CCCOCC1 34a_100000685342_100011933949 [0,0,0,1,0,0|3,0,0]=4 5018 B17R1.29199 C=CCCCCCCCNC1CCCCCC1 2230a_100000210984_100012355270 [0,0,0,1,0,0|2,0,0]=3 5019 B17R1.29199 C=CCCCCCCCNC1CCCCCC1 34a_100000210984_100012355270 [0,0,0,1,0,0|2,0,0]=3 5020 B17R1.29199 C=CCCCCCCNCC1CCCCCC1 2230a_100015204231_100011215473 [0,0,0,1,0,0|2,0,0]=3 5021 B17R1.29199 C=CCCCCCCNCC1CCCCCC1 34a_100015204231_100011215473 [0,0,0,1,0,0|2,0,0]=3 5022 B17R1.29199 C=CCCCCCNCCC1CCCCCC1 2230a_100011532351_100000700193 [0,0,0,1,0,0|2,0,0]=3 5023 B17R1.29199 C=CCCCCCNCCC1CCCCCC1 34a_100011532351_100000700193 [0,0,0,1,0,0|2,0,0]=3 5024 B17R1.29199 C=CCCCCCOCCN1CCCCCC1 34a_100000238007_100000700193 [0,0,0,1,0,0|3,0,0]=4 5025 B17R1.29199 C=CCCCCCOCCN1CCCCCC1 7a_100011216702_100000722644 [0,0,0,1,0,0|3,0,0]=4 5026 B17R1.29199 C=CCCCCCSCCN1CCCCCC1 62a_100000700193_100000722644 [0,0,0,1,0,0|3,0,0]=4 5027 B17R1.29199 C=CCCCCCSCCN1CCCCCC1 62a_100000722644_100000700193 [0,0,0,1,0,0|3,0,0]=4 5028 B17R1.29199 C=CCCCCOCCCN1CCCCCC1 34a_100102886287_100011215482 [0,0,0,1,0,0|3,0,0]=4 5029 B17R1.29199 C=CCCCCOCCCN1CCCCCC1 7a_100102886287_100011215482 [0,0,0,1,0,0|3,0,0]=4 5030 B17R1.29199 C=CCCCOCCCCN1CCCCCC1 34a_100011305542_100000757094 [0,0,0,1,0,0|3,0,0]=4 5031 B17R1.29199 CCCCCCCCNCC1CCCCCC1 2230a_100000229939_200000696569 [0,0,0,1,0,0|2,0,1]=4 5032 B17R1.29199 CCCCCCCCNCC1CCCCCC1 2230a_100015204231_100000210759 [0,0,0,1,0,0|2,0,1]=4 5033 B17R1.29199 CCCCCCCCNCC1CCCCCC1 269862a_100000229939_200000763224 [0,0,0,1,0,0|2,0,1]=4 5034 B17R1.29199 CCCCCCCCNCC1CCCCCC1 34a_100000229939_200000696569 [0,0,0,1,0,0|2,0,1]=4 5035 B17R1.29199 CCCCCCCCNCC1CCCCCC1 34a_100015204231_100000210759 [0,0,0,1,0,0|2,0,1]=4 5036 B17R1.29199 CCCCCCCNCCC1CCCCCC1 2230a_100011532351_100000210681 [0,0,0,1,0,0|2,0,1]=4 5037 B17R1.29199 CCCCCCCNCCC1CCCCCC1 34a_100011532351_100000210614 [0,0,0,1,0,0|2,0,1]=4 5038 B17R1.29199 COCCCCCCNCC1CCCCCC1 2230a_100015204231_100011998445 [0,0,0,1,0,0|3,0,0]=4 5039 B17R1.29199 COCCCCCCNCC1CCCCCC1 34a_100015204231_100011998445 [0,0,0,1,0,0|3,0,0]=4 5040 B17R1.29199 COCCCCCCOCC1CCCCCC1 34a_100000699130_100011998445 [0,0,0,1,0,0|3,0,0]=4 5041 B17R1.29199 COCCCCCCOCC1CCCCCC1 34a_200012092642_200000696569 [0,0,0,1,0,0|3,0,0]=4 5042 B17R1.29199 COCCCCCCOCC1CCCCCC1 7a_100000699130_100011998445 [0,0,0,1,0,0|3,0,0]=4 5043 B17R1.29199 COCCCCCCOCC1CCCCCC1 7a_200012092642_200000696569 [0,0,0,1,0,0|3,0,0]=4 5044 B17R1.29199 COCCCCCCSCC1CCCCCC1 62a_100011998445_200000696569 [0,0,0,1,0,0|3,0,0]=4 5045 B17R1.29199 COCCCCCCSCC1CCCCCC1 62a_200000696569_100011998445 [0,0,0,1,0,0|3,0,0]=4 5046 B17R1.29199 FCCCCCCNCCC1CCCCCC1 2230a_100011532351_100015922095 [0,0,0,1,0,0|2,0,1]=4 5047 B17R1.29199 FCCCCCCNCCC1CCCCCC1 34a_100011532351_100015922095 [0,0,0,1,0,0|2,0,1]=4 5048 B17R1.29199 N#CCCCCCCNCC1CCCCCC1 2230a_100015204231_100009813337 [0,0,0,1,0,0|2,0,1]=4 5049 B17R1.29199 N#CCCCCCCOCC1CCCCCC1 7a_100000699130_100009813337 [0,0,0,1,0,0|2,0,1]=4 5050 B17R1.29199 N#CCCCCCNCCC1CCCCCC1 2230a_100011532351_100009813376 [0,0,0,1,0,0|2,0,1]=4 5051 B17R1.29199 NCCCCCCCCOC1CCCCCC1 34a_102515433106_100011217769 [0,0,0,1,0,0|2,0,1]=4 5052 B17R1.29199 NCCCCCCCOCC1CCCCCC1 34a_100011996573_200000696569 [0,0,0,1,0,0|2,0,1]=4 5053 B17R1.29199 O=CCCCCCNCCC1CCCCCC1 2230a_100011532351_100000139337 [0,0,0,1,0,0|1,0,0]=2 5054 B17R1.29199 O=CCCCCCSCCN1CCCCCC1 62a_100000139337_100000722644 [0,0,0,1,0,0|2,0,0]=3 5055 B17R1.29199 O=CCCCCCSCCN1CCCCCC1 62a_100000722644_100000139337 [0,0,0,1,0,0|2,0,0]=3 5056 B17R1.29199 O=CCCCCOCCCN1CCCCCC1 7a_100102886287_100000139335 [0,0,0,1,0,0|2,0,0]=3 5057 B17R1.29199 OCCCCCCCCCN1CCCCCC1 2230a_100000185865_100009813782 [0,0,0,1,0,0|1,0,2]=4 5058 B17R1.29199 OCCCCCCCCCN1CCCCCC1 269982a_100000185865_100009813782 [0,0,0,1,0,0|1,0,2]=4 5059 B17R1.29199 OCCCCCCCCCN1CCCCCC1 34a_100000185865_100009813782 [0,0,0,1,0,0|1,0,2]=4 5060 B17R1.29199 OCCCCCCCCNC1CCCCCC1 2230a_100000210984_100000033203 [0,0,0,1,0,0|1,0,2]=4 5061 B17R1.29199 OCCCCCCCCNC1CCCCCC1 270004a_102515433106_100000210131 [0,0,0,1,0,0|1,0,2]=4 5062 B17R1.29199 OCCCCCCCCNC1CCCCCC1 34a_100000210984_100000033203 [0,0,0,1,0,0|1,0,2]=4 5063 B17R1.29199 OCCCCCCCCNC1CCCCCC1 34a_102515433106_100011217769 [0,0,0,1,0,0|1,0,2]=4 5064 B17R1.29199 OCCCCCCCCOC1CCCCCC1 34a_100000210887_100000033203 [0,0,0,1,0,0|1,0,2]=4 5065 B17R1.29199 OCCCCCCCCOC1CCCCCC1 7a_100000210887_100000033203 [0,0,0,1,0,0|1,0,2]=4 5066 B17R1.29199 OCCCCCCCCSC1CCCCCC1 62a_100000033203_100011217769 [0,0,0,1,0,0|1,0,2]=4 5067 B17R1.29199 OCCCCCCCCSC1CCCCCC1 62a_100011217769_100000033203 [0,0,0,1,0,0|1,0,2]=4 5068 B17R1.29199 OCCCCCCCNCC1CCCCCC1 2230a_100011996573_200000696569 [0,0,0,1,0,0|1,0,2]=4 5069 B17R1.29199 OCCCCCCCNCC1CCCCCC1 2230a_100015204231_100000760002 [0,0,0,1,0,0|1,0,2]=4 5070 B17R1.29199 OCCCCCCCNCC1CCCCCC1 269862a_100011996573_200000763224 [0,0,0,1,0,0|1,0,2]=4 5071 B17R1.29199 OCCCCCCCNCC1CCCCCC1 34a_100011996573_200000696569 [0,0,0,1,0,0|1,0,2]=4 5072 B17R1.29199 OCCCCCCCNCC1CCCCCC1 34a_100015204231_100000760002 [0,0,0,1,0,0|1,0,2]=4 5073 B17R1.29199 OCCCCCCCOCC1CCCCCC1 34a_100000699130_100000760002 [0,0,0,1,0,0|1,0,2]=4 5074 B17R1.29199 OCCCCCCCOCC1CCCCCC1 7a_100000699130_100000760002 [0,0,0,1,0,0|1,0,2]=4 5075 B17R1.29199 OCCCCCCCSCC1CCCCCC1 62a_100000760002_200000696569 [0,0,0,1,0,0|1,0,2]=4 5076 B17R1.29199 OCCCCCCCSCC1CCCCCC1 62a_200000696569_100000760002 [0,0,0,1,0,0|1,0,2]=4 5077 B17R1.29199 OCCCCCCNCCC1CCCCCC1 2230a_100011532351_100000766143 [0,0,0,1,0,0|1,0,2]=4 5078 B17R1.29199 OCCCCCCNCCC1CCCCCC1 34a_100011532351_100000766143 [0,0,0,1,0,0|1,0,2]=4 5079 B14R0.392 C=CCCCCCCCCCCCNC 2230a_106832991635_102130925996 [2,0,0,0,0,0|1,0,1]=4 5080 B14R0.392 C=CCCCCCCCCCCCNC 34a_100102657272_102130925996 [2,0,0,0,0,0|1,0,1]=4 5081 B14R0.392 C=CCCCCCCCCCCCNC 7a_106832991635_102130925996 [2,0,0,0,0,0|1,0,1]=4 5082 B14R0.392 C=CCCCCCCCCCCCOC 34a_100138415774_102130925996 [2,0,0,0,0,0|1,0,1]=4 5083 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [2,0,0,0,0,0|1,0,1]=4 5084 B14R0.392 C=CCCCCCCCCCCOCC 34a_100121572206_100011093070 [2,0,0,0,0,0|1,0,1]=4 5085 B14R0.392 C=CCCCCCCCCCNCCC 2230a_100000081888_100000210303 [2,0,0,0,0,0|1,0,1]=4 5086 B14R0.392 C=CCCCCCCCCCNCCC 34a_100000081888_100000210303 [2,0,0,0,0,0|1,0,1]=4 5087 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000038209_100000210303 [2,0,0,0,0,0|1,0,1]=4 5088 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000210258_100009814027 [2,0,0,0,0,0|1,0,1]=4 5089 B14R0.392 C=CCCCCCCCCCOCCC 7a_100000038209_100000210303 [2,0,0,0,0,0|1,0,1]=4 5090 B14R0.392 C=CCCCCCCCCNCCCC 2230a_100000102301_100011933949 [2,0,0,0,0,0|1,0,1]=4 5091 B14R0.392 C=CCCCCCCCCNCCCC 7a_106832991798_100011933949 [2,0,0,0,0,0|1,0,1]=4 5092 B14R0.392 C=CCCCCCCCCOCCCC 34a_100000210227_100011933949 [2,0,0,0,0,0|1,0,1]=4 5093 B14R0.392 C=CCCCCCCCCOCCCC 34a_100011215194_100000210210 [2,0,0,0,0,0|1,0,1]=4 5094 B14R0.392 C=CCCCCCCCCOCCCC 7a_100000210227_100011933949 [2,0,0,0,0,0|1,0,1]=4 5095 B14R0.392 C=CCCCCCCCCOCCCC 7a_100011215194_100000210211 [2,0,0,0,0,0|1,0,1]=4 5096 B14R0.392 C=CCCCCCCCNCCCCC 2230a_100000209983_100012355270 [2,0,0,0,0,0|1,0,1]=4 5097 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000210253_100012355270 [2,0,0,0,0,0|1,0,1]=4 5098 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000730831_100000718602 [2,0,0,0,0,0|1,0,1]=4 5099 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000210253_100012355270 [2,0,0,0,0,0|1,0,1]=4 5100 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000730831_100000210326 [2,0,0,0,0,0|1,0,1]=4 5101 B14R0.392 C=CCCCCCCNCCCCCC 2230a_100000210581_100011215473 [2,0,0,0,0,0|1,0,1]=4 5102 B14R0.392 C=CCCCCCCOCCCCCC 34a_100000210259_100011215473 [2,0,0,0,0,0|1,0,1]=4 5103 B14R0.392 C=CCCCCCCOCCCCCC 34a_200011216477_100000210314 [2,0,0,0,0,0|1,0,1]=4 5104 B14R0.392 C=CCCCCCCOCCCCCC 7a_100000210259_100011215473 [2,0,0,0,0,0|1,0,1]=4 5105 B14R0.392 C=CCCCCCCOCCCCCC 7a_200011216477_100000210314 [2,0,0,0,0,0|1,0,1]=4 5106 B14R0.392 C=CCCCCCNCCCCCCC 2230a_100000229938_100000700193 [2,0,0,0,0,0|1,0,1]=4 5107 B14R0.392 C=CCCCCCOCCCCCCC 34a_100000210272_100000700193 [2,0,0,0,0,0|1,0,1]=4 5108 B14R0.392 C=CCCCCCOCCCCCCC 34a_100011216702_100000210614 [2,0,0,0,0,0|1,0,1]=4 5109 B14R0.392 C=CCCCCCOCCCCCCC 7a_100000210272_100000700193 [2,0,0,0,0,0|1,0,1]=4 5110 B14R0.392 C=CCCCCCOCCCCCCC 7a_100011216702_100000210614 [2,0,0,0,0,0|1,0,1]=4 5111 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [2,0,0,0,0,0|1,0,1]=4 5112 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [2,0,0,0,0,0|1,0,1]=4 5113 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [2,0,0,0,0,0|1,0,1]=4 5114 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [2,0,0,0,0,0|1,0,1]=4 5115 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [2,0,0,0,0,0|1,0,1]=4 5116 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [2,0,0,0,0,0|1,0,1]=4 5117 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [2,0,0,0,0,0|1,0,1]=4 5118 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [2,0,0,0,0,0|1,0,1]=4 5119 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [2,0,0,0,0,0|1,0,1]=4 5120 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [2,0,0,0,0,0|1,0,1]=4 5121 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [2,0,0,0,0,0|1,0,1]=4 5122 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [2,0,0,0,0,0|1,0,1]=4 5123 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [2,0,0,0,0,0|1,0,1]=4 5124 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [2,0,0,0,0,0|1,0,1]=4 5125 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [2,0,0,0,0,0|1,0,1]=4 5126 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [2,0,0,0,0,0|1,0,1]=4 5127 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [2,0,0,0,0,0|1,0,1]=4 5128 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [2,0,0,0,0,0|1,0,1]=4 5129 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [2,0,0,0,0,0|1,0,1]=4 5130 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [2,0,0,0,0,0|1,0,1]=4 5131 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [2,0,0,0,0,0|1,0,1]=4 5132 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [2,0,0,0,0,0|1,0,1]=4 5133 B14R0.392 C=CCNCCCCCCCCCCC 2230a_100020586998_100011215454 [2,0,0,0,0,0|1,0,1]=4 5134 B14R0.392 C=CCNCCCCCCCCCCC 2230a_200011215754_100000210623 [2,0,0,0,0,0|1,0,1]=4 5135 B14R0.392 C=CCNCCCCCCCCCCC 34a_200011215754_100015514636 [2,0,0,0,0,0|1,0,1]=4 5136 B14R0.392 C=CCOCCCCCCCCCCC 34a_100000210809_100015514636 [2,0,0,0,0,0|1,0,1]=4 5137 B14R0.392 C=CCOCCCCCCCCCCC 34a_200000210373_100011215454 [2,0,0,0,0,0|1,0,1]=4 5138 B14R0.392 C=CCOCCCCCCCCCCC 7a_100000210809_100015514636 [2,0,0,0,0,0|1,0,1]=4 5139 B14R0.392 CCCCCCCCCCCCCNC 2230a_100011215765_200000210301 [2,0,0,0,0,0|1,0,0]=3 5140 B14R0.392 CCCCCCCCCCCCCNC 2230a_106832991635_100000210684 [2,0,0,0,0,0|1,0,0]=3 5141 B14R0.392 CCCCCCCCCCCCCNC 270004a_106832991635_200011215488 [2,0,0,0,0,0|1,0,0]=3 5142 B14R0.392 CCCCCCCCCCCCCNC 34a_100011215765_200000210301 [2,0,0,0,0,0|1,0,0]=3 5143 B14R0.392 CCCCCCCCCCCCCNC 34a_100102657272_100000210684 [2,0,0,0,0,0|1,0,0]=3 5144 B14R0.392 CCCCCCCCCCCCCNC 7a_106832991635_100000210684 [2,0,0,0,0,0|1,0,0]=3 5145 B14R0.392 CCCCCCCCCCCCCN[13CH3] 2230a_100011215765_200025704644 [2,0,0,0,0,0|1,0,0]=3 5146 B14R0.392 CCCCCCCCCCCCCN[13CH3] 34a_100011215765_200025704644 [2,0,0,0,0,0|1,0,0]=3 5147 B14R0.392 CCCCCCCCCCCCCOC 34a_100000185773_200000210301 [2,0,0,0,0,0|1,0,0]=3 5148 B14R0.392 CCCCCCCCCCCCCOC 34a_100138415774_100000210684 [2,0,0,0,0,0|1,0,0]=3 5149 B14R0.392 CCCCCCCCCCCCCOC 7a_100000185773_200000210301 [2,0,0,0,0,0|1,0,0]=3 5150 B14R0.392 CCCCCCCCCCCCCO[13CH3] 34a_100000185773_200025704644 [2,0,0,0,0,0|1,0,0]=3 5151 B14R0.392 CCCCCCCCCCCCCO[13CH3] 7a_100000185773_200025704644 [2,0,0,0,0,0|1,0,0]=3 5152 B14R0.392 CCCCCCCCCCCCNCC 2230a_100000210451_100000210202 [2,0,0,0,0,0|1,0,0]=3 5153 B14R0.392 CCCCCCCCCCCCNCC 2230a_100015525214_100011215052 [2,0,0,0,0,0|1,0,0]=3 5154 B14R0.392 CCCCCCCCCCCCNCC 270004a_100015525214_100011218549 [2,0,0,0,0,0|1,0,0]=3 5155 B14R0.392 CCCCCCCCCCCCNCC 34a_100000210451_100000210202 [2,0,0,0,0,0|1,0,0]=3 5156 B14R0.392 CCCCCCCCCCCCNCF 34a_100000210451_100015361967 [2,0,0,0,0,0|2,0,0]=4 5157 B14R0.392 CCCCCCCCCCCCOCC 34a_100000210810_100000210202 [2,0,0,0,0,0|1,0,0]=3 5158 B14R0.392 CCCCCCCCCCCCOCC 34a_100121572206_100000759014 [2,0,0,0,0,0|1,0,0]=3 5159 B14R0.392 CCCCCCCCCCCCOCC 7a_100000210810_100000210202 [2,0,0,0,0,0|1,0,0]=3 5160 B14R0.392 CCCCCCCCCCCCOCF 34a_100000210810_100015361967 [2,0,0,0,0,0|2,0,0]=4 5161 B14R0.392 CCCCCCCCCCCCOCF 7a_100000210810_100015361967 [2,0,0,0,0,0|2,0,0]=4 5162 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [2,0,0,0,0,0|1,0,0]=3 5163 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [2,0,0,0,0,0|1,0,0]=3 5164 B14R0.392 CCCCCCCCCCCNCCC 2230a_200011215754_100000210303 [2,0,0,0,0,0|1,0,0]=3 5165 B14R0.392 CCCCCCCCCCCNCCC 34a_200011215754_100000210303 [2,0,0,0,0,0|1,0,0]=3 5166 B14R0.392 CCCCCCCCCCCNCCF 2230a_200011215754_100011217306 [2,0,0,0,0,0|2,0,0]=4 5167 B14R0.392 CCCCCCCCCCCNCCF 34a_100000724931_100011215454 [2,0,0,0,0,0|2,0,0]=4 5168 B14R0.392 CCCCCCCCCCCNCCF 34a_200011215754_100011217306 [2,0,0,0,0,0|2,0,0]=4 5169 B14R0.392 CCCCCCCCCCCNCCO 2230a_100016997473_100011215454 [2,0,0,0,0,0|1,0,1]=4 5170 B14R0.392 CCCCCCCCCCCNCCO 2230a_200011215754_100000211926 [2,0,0,0,0,0|1,0,1]=4 5171 B14R0.392 CCCCCCCCCCCNCCO 34a_100016990907_100011215454 [2,0,0,0,0,0|1,0,1]=4 5172 B14R0.392 CCCCCCCCCCCNCCO 34a_200011215754_100000211926 [2,0,0,0,0,0|1,0,1]=4 5173 B14R0.392 CCCCCCCCCCCNCOC 2230a_200011215754_100000766300 [2,0,0,0,0,0|2,0,0]=4 5174 B14R0.392 CCCCCCCCCCCNCSC 2230a_200011215754_100011218213 [2,0,0,0,0,0|2,0,0]=4 5175 B14R0.392 CCCCCCCCCCCNCSC 34a_200011215754_100011218213 [2,0,0,0,0,0|2,0,0]=4 5176 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [2,0,0,0,0,0|1,0,0]=3 5177 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [2,0,0,0,0,0|1,0,0]=3 5178 B14R0.392 CCCCCCCCCCCOCCBr 34a_100000211926_100011215454 [2,0,0,0,0,0|2,0,0]=4 5179 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210258_100011215454 [2,0,0,0,0,0|1,0,0]=3 5180 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210809_100000210303 [2,0,0,0,0,0|1,0,0]=3 5181 B14R0.392 CCCCCCCCCCCOCCC 7a_100000210809_100000210303 [2,0,0,0,0,0|1,0,0]=3 5182 B14R0.392 CCCCCCCCCCCOCCF 34a_100000210809_100011217306 [2,0,0,0,0,0|2,0,0]=4 5183 B14R0.392 CCCCCCCCCCCOCCF 7a_100000210809_100011217306 [2,0,0,0,0,0|2,0,0]=4 5184 B14R0.392 CCCCCCCCCCCOCCN 34a_100000210304_100011215454 [2,0,0,0,0,0|2,0,0]=4 5185 B14R0.392 CCCCCCCCCCCOCCO 34a_100000210809_100000211926 [2,0,0,0,0,0|1,0,1]=4 5186 B14R0.392 CCCCCCCCCCCOCCO 7a_100000210809_100000211926 [2,0,0,0,0,0|1,0,1]=4 5187 B14R0.392 CCCCCCCCCCCOCSC 34a_100000210809_100011218213 [2,0,0,0,0,0|2,0,0]=4 5188 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [2,0,0,0,0,0|1,0,0]=3 5189 B14R0.392 CCCCCCCCCCCSCCO 62a_100000211926_100011215454 [2,0,0,0,0,0|1,0,1]=4 5190 B14R0.392 CCCCCCCCCCCSCOC 62a_100000766300_100011215454 [2,0,0,0,0,0|2,0,0]=4 5191 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000102301_100000210320 [2,0,0,0,0,0|1,0,0]=3 5192 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000684558_100000210211 [2,0,0,0,0,0|1,0,0]=3 5193 B14R0.392 CCCCCCCCCCNCCCC 34a_100000684558_100000210210 [2,0,0,0,0,0|1,0,0]=3 5194 B14R0.392 CCCCCCCCCCNCCCC 7a_106832991798_100000210320 [2,0,0,0,0,0|1,0,0]=3 5195 B14R0.392 CCCCCCCCCCNCCCF 2230a_100000684558_100011934791 [2,0,0,0,0,0|2,0,0]=4 5196 B14R0.392 CCCCCCCCCCNCCCF 2230a_100015189416_100000210320 [2,0,0,0,0,0|2,0,0]=4 5197 B14R0.392 CCCCCCCCCCNCCCF 34a_100000684558_100011934791 [2,0,0,0,0,0|2,0,0]=4 5198 B14R0.392 CCCCCCCCCCNCCCF 34a_100015189416_100000210320 [2,0,0,0,0,0|2,0,0]=4 5199 B14R0.392 CCCCCCCCCCNCCCO 2230a_100000684558_100000230001 [2,0,0,0,0,0|1,0,1]=4 5200 B14R0.392 CCCCCCCCCCNCCCO 34a_100000684558_100000230001 [2,0,0,0,0,0|1,0,1]=4 5201 B14R0.392 CCCCCCCCCCNCCOC 2230a_100000209980_100000210320 [2,0,0,0,0,0|2,0,0]=4 5202 B14R0.392 CCCCCCCCCCNCCOC 2230a_100000684558_100011201679 [2,0,0,0,0,0|2,0,0]=4 5203 B14R0.392 CCCCCCCCCCNCCOC 34a_100000684558_100011201679 [2,0,0,0,0,0|2,0,0]=4 5204 B14R0.392 CCCCCCCCCCNCCSC 2230a_100000684558_100000751147 [2,0,0,0,0,0|2,0,0]=4 5205 B14R0.392 CCCCCCCCCCNCCSC 2230a_100020590264_100000210320 [2,0,0,0,0,0|2,0,0]=4 5206 B14R0.392 CCCCCCCCCCNCCSC 34a_100000684558_100000212216 [2,0,0,0,0,0|2,0,0]=4 5207 B14R0.392 CCCCCCCCCCOCCCBr 34a_100011217188_100000210320 [2,0,0,0,0,0|2,0,0]=4 5208 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210227_100000210320 [2,0,0,0,0,0|1,0,0]=3 5209 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210711_100000210210 [2,0,0,0,0,0|1,0,0]=3 5210 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210227_100000210320 [2,0,0,0,0,0|1,0,0]=3 5211 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210711_100000210211 [2,0,0,0,0,0|1,0,0]=3 5212 B14R0.392 CCCCCCCCCCOCCCCl 34a_100000230001_100000210320 [2,0,0,0,0,0|2,0,0]=4 5213 B14R0.392 CCCCCCCCCCOCCCF 34a_100000210711_100011934791 [2,0,0,0,0,0|2,0,0]=4 5214 B14R0.392 CCCCCCCCCCOCCCF 34a_100000759539_100000210320 [2,0,0,0,0,0|2,0,0]=4 5215 B14R0.392 CCCCCCCCCCOCCCF 7a_100000210711_100011934791 [2,0,0,0,0,0|2,0,0]=4 5216 B14R0.392 CCCCCCCCCCOCCCN 34a_100000182051_100000210320 [2,0,0,0,0,0|2,0,0]=4 5217 B14R0.392 CCCCCCCCCCOCCCO 34a_100000210711_100000230001 [2,0,0,0,0,0|1,0,1]=4 5218 B14R0.392 CCCCCCCCCCOCCCO 7a_100000210711_100011215043 [2,0,0,0,0,0|1,0,1]=4 5219 B14R0.392 CCCCCCCCCCOCCOC 34a_100000210237_100000210320 [2,0,0,0,0,0|2,0,0]=4 5220 B14R0.392 CCCCCCCCCCOCCOC 34a_100000210711_100011201679 [2,0,0,0,0,0|2,0,0]=4 5221 B14R0.392 CCCCCCCCCCOCCOC 7a_100000210711_100000233755 [2,0,0,0,0,0|2,0,0]=4 5222 B14R0.392 CCCCCCCCCCOCCSC 34a_100000210711_100000212216 [2,0,0,0,0,0|2,0,0]=4 5223 B14R0.392 CCCCCCCCCCOCCSC 34a_100000230434_100000210320 [2,0,0,0,0,0|2,0,0]=4 5224 B14R0.392 CCCCCCCCCCOCCSC 7a_100000210711_100000212216 [2,0,0,0,0,0|2,0,0]=4 5225 B14R0.392 CCCCCCCCCCOCCSC 7a_100000230434_100000210320 [2,0,0,0,0,0|2,0,0]=4 5226 B14R0.392 CCCCCCCCCCSCCCO 62a_100011215043_100000210320 [2,0,0,0,0,0|1,0,1]=4 5227 B14R0.392 CCCCCCCCCCSCCOC 34a_100011628728_200000210301 [2,0,0,0,0,0|2,0,0]=4 5228 B14R0.392 CCCCCCCCCCSCCOC 62a_100000233755_100000210320 [2,0,0,0,0,0|2,0,0]=4 5229 B14R0.392 CCCCCCCCCCSCCOC 7a_100011628728_200000210301 [2,0,0,0,0,0|2,0,0]=4 5230 B14R0.392 CCCCCCCCCCSCCO[13CH3] 34a_100011628728_200025704644 [2,0,0,0,0,0|2,0,0]=4 5231 B14R0.392 CCCCCCCCCCSCCO[13CH3] 7a_100011628728_200025704644 [2,0,0,0,0,0|2,0,0]=4 5232 B14R0.392 CCCCCCCCCCSCOCC 62a_100000739092_100000210320 [2,0,0,0,0,0|2,0,0]=4 5233 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [2,0,0,0,0,0|1,0,0]=3 5234 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000209983_100011214924 [2,0,0,0,0,0|1,0,0]=3 5235 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000212291_100000210326 [2,0,0,0,0,0|1,0,0]=3 5236 B14R0.392 CCCCCCCCCNCCCCC 34a_100000212291_100000718602 [2,0,0,0,0,0|1,0,0]=3 5237 B14R0.392 CCCCCCCCCNCCCCF 2230a_100000212291_100000729493 [2,0,0,0,0,0|2,0,0]=4 5238 B14R0.392 CCCCCCCCCNCCCCF 34a_100000212291_100000729493 [2,0,0,0,0,0|2,0,0]=4 5239 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000212291_100000210776 [2,0,0,0,0,0|1,0,1]=4 5240 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000750430_100011214924 [2,0,0,0,0,0|1,0,1]=4 5241 B14R0.392 CCCCCCCCCNCCCCO 34a_100000212291_100011216708 [2,0,0,0,0,0|1,0,1]=4 5242 B14R0.392 CCCCCCCCCNCCCCO 34a_100000750430_100011214924 [2,0,0,0,0,0|1,0,1]=4 5243 B14R0.392 CCCCCCCCCNCCCOC 2230a_100000212291_100000740836 [2,0,0,0,0,0|2,0,0]=4 5244 B14R0.392 CCCCCCCCCNCCCOC 34a_100000212291_100000740836 [2,0,0,0,0,0|2,0,0]=4 5245 B14R0.392 CCCCCCCCCNCCCOC 34a_100150723488_100011214924 [2,0,0,0,0,0|2,0,0]=4 5246 B14R0.392 CCCCCCCCCNCCCSC 2230a_100000749238_100011214924 [2,0,0,0,0,0|2,0,0]=4 5247 B14R0.392 CCCCCCCCCNCCOCC 2230a_100000212291_100011215890 [2,0,0,0,0,0|2,0,0]=4 5248 B14R0.392 CCCCCCCCCNCCOCC 2230a_102516460346_100011214924 [2,0,0,0,0,0|2,0,0]=4 5249 B14R0.392 CCCCCCCCCNCCOCC 34a_100000212291_100000210147 [2,0,0,0,0,0|2,0,0]=4 5250 B14R0.392 CCCCCCCCCNCCOCC 34a_102516460346_100011214924 [2,0,0,0,0,0|2,0,0]=4 5251 B14R0.392 CCCCCCCCCNCCSCC 2230a_100000106463_100011214924 [2,0,0,0,0,0|2,0,0]=4 5252 B14R0.392 CCCCCCCCCNCCSCC 2230a_100000212291_100000757381 [2,0,0,0,0,0|2,0,0]=4 5253 B14R0.392 CCCCCCCCCNCCSCC 34a_100000212291_100000757381 [2,0,0,0,0,0|2,0,0]=4 5254 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [2,0,0,0,0,0|1,0,0]=3 5255 B14R0.392 CCCCCCCCCOCCCCBr 34a_100011216708_100011214924 [2,0,0,0,0,0|2,0,0]=4 5256 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210253_100011214924 [2,0,0,0,0,0|1,0,0]=3 5257 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210712_100000718602 [2,0,0,0,0,0|1,0,0]=3 5258 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210253_100000210328 [2,0,0,0,0,0|1,0,0]=3 5259 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210712_100000210326 [2,0,0,0,0,0|1,0,0]=3 5260 B14R0.392 CCCCCCCCCOCCCCCl 34a_100000210776_100011214924 [2,0,0,0,0,0|2,0,0]=4 5261 B14R0.392 CCCCCCCCCOCCCCCl 7a_100000210776_100000210328 [2,0,0,0,0,0|2,0,0]=4 5262 B14R0.392 CCCCCCCCCOCCCCF 34a_100000210712_100000729493 [2,0,0,0,0,0|2,0,0]=4 5263 B14R0.392 CCCCCCCCCOCCCCF 34a_100011995726_100011214924 [2,0,0,0,0,0|2,0,0]=4 5264 B14R0.392 CCCCCCCCCOCCCCF 7a_100000210712_100000729493 [2,0,0,0,0,0|2,0,0]=4 5265 B14R0.392 CCCCCCCCCOCCCCF 7a_100011995726_100000210328 [2,0,0,0,0,0|2,0,0]=4 5266 B14R0.392 CCCCCCCCCOCCCCI 34a_200012148704_100011214924 [2,0,0,0,0,0|2,0,0]=4 5267 B14R0.392 CCCCCCCCCOCCCCN 34a_100000750430_100011214924 [2,0,0,0,0,0|2,0,0]=4 5268 B14R0.392 CCCCCCCCCOCCCCO 34a_100000210712_100011216708 [2,0,0,0,0,0|1,0,1]=4 5269 B14R0.392 CCCCCCCCCOCCCCO 7a_100000210712_100000210776 [2,0,0,0,0,0|1,0,1]=4 5270 B14R0.392 CCCCCCCCCOCCCNC 34a_100000213112_100011214924 [2,0,0,0,0,0|2,0,0]=4 5271 B14R0.392 CCCCCCCCCOCCCOC 34a_100000210712_100000740836 [2,0,0,0,0,0|2,0,0]=4 5272 B14R0.392 CCCCCCCCCOCCCOC 34a_100000740835_100011214924 [2,0,0,0,0,0|2,0,0]=4 5273 B14R0.392 CCCCCCCCCOCCCOC 7a_100000210712_100000740836 [2,0,0,0,0,0|2,0,0]=4 5274 B14R0.392 CCCCCCCCCOCCCSC 34a_100000690336_100011214924 [2,0,0,0,0,0|2,0,0]=4 5275 B14R0.392 CCCCCCCCCOCCCSC 7a_100000690336_100000210328 [2,0,0,0,0,0|2,0,0]=4 5276 B14R0.392 CCCCCCCCCOCCOCC 34a_100000210136_100011214924 [2,0,0,0,0,0|2,0,0]=4 5277 B14R0.392 CCCCCCCCCOCCOCC 34a_100000210712_100000210147 [2,0,0,0,0,0|2,0,0]=4 5278 B14R0.392 CCCCCCCCCOCCOCC 7a_100000210136_100000210328 [2,0,0,0,0,0|2,0,0]=4 5279 B14R0.392 CCCCCCCCCOCCOCC 7a_100000210712_100011215890 [2,0,0,0,0,0|2,0,0]=4 5280 B14R0.392 CCCCCCCCCOCCSCC 34a_100000210712_100000757381 [2,0,0,0,0,0|2,0,0]=4 5281 B14R0.392 CCCCCCCCCOCCSCC 34a_100000212035_100011214924 [2,0,0,0,0,0|2,0,0]=4 5282 B14R0.392 CCCCCCCCCOCCSCC 7a_100000210712_100000757381 [2,0,0,0,0,0|2,0,0]=4 5283 B14R0.392 CCCCCCCCCOCCSCC 7a_100000212035_100000210328 [2,0,0,0,0,0|2,0,0]=4 5284 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [2,0,0,0,0,0|1,0,0]=3 5285 B14R0.392 CCCCCCCCCSCCCCO 62a_100000210776_100000210670 [2,0,0,0,0,0|1,0,1]=4 5286 B14R0.392 CCCCCCCCCSCCCOC 62a_100000709357_100000210670 [2,0,0,0,0,0|2,0,0]=4 5287 B14R0.392 CCCCCCCCCSCCOCC 62a_100000210147_100000210670 [2,0,0,0,0,0|2,0,0]=4 5288 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [2,0,0,0,0,0|1,0,0]=3 5289 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000210581_100000210759 [2,0,0,0,0,0|1,0,0]=3 5290 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000229939_100000210314 [2,0,0,0,0,0|1,0,0]=3 5291 B14R0.392 CCCCCCCCNCCCCCC 34a_100000229939_100000210314 [2,0,0,0,0,0|1,0,0]=3 5292 B14R0.392 CCCCCCCCNCCCCCF 2230a_100000229939_100000729378 [2,0,0,0,0,0|2,0,0]=4 5293 B14R0.392 CCCCCCCCNCCCCCF 34a_100000229939_100000729378 [2,0,0,0,0,0|2,0,0]=4 5294 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000229939_100000746330 [2,0,0,0,0,0|1,0,1]=4 5295 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000762737_100000210759 [2,0,0,0,0,0|1,0,1]=4 5296 B14R0.392 CCCCCCCCNCCCCCO 34a_100000229939_100000746330 [2,0,0,0,0,0|1,0,1]=4 5297 B14R0.392 CCCCCCCCNCCCCCO 34a_100000762737_100000210759 [2,0,0,0,0,0|1,0,1]=4 5298 B14R0.392 CCCCCCCCNCCCCOC 2230a_100000229939_100000730899 [2,0,0,0,0,0|2,0,0]=4 5299 B14R0.392 CCCCCCCCNCCCCOC 34a_100000229939_100000755781 [2,0,0,0,0,0|2,0,0]=4 5300 B14R0.392 CCCCCCCCNCCCOCC 2230a_100000210961_100000210759 [2,0,0,0,0,0|2,0,0]=4 5301 B14R0.392 CCCCCCCCNCCCOCC 2230a_100000229939_100012232248 [2,0,0,0,0,0|2,0,0]=4 5302 B14R0.392 CCCCCCCCNCCCOCC 34a_100000210961_100000210759 [2,0,0,0,0,0|2,0,0]=4 5303 B14R0.392 CCCCCCCCNCCCOCC 34a_100000229939_100012232248 [2,0,0,0,0,0|2,0,0]=4 5304 B14R0.392 CCCCCCCCNCCOCCC 2230a_100000229939_100011215938 [2,0,0,0,0,0|2,0,0]=4 5305 B14R0.392 CCCCCCCCNCCOCCC 2230a_100161115042_100000210759 [2,0,0,0,0,0|2,0,0]=4 5306 B14R0.392 CCCCCCCCNCCOCCC 34a_100000229939_100011215938 [2,0,0,0,0,0|2,0,0]=4 5307 B14R0.392 CCCCCCCCNCCOCCC 34a_100161115042_100000210759 [2,0,0,0,0,0|2,0,0]=4 5308 B14R0.392 CCCCCCCCNCCSCCC 2230a_100020603323_100000210759 [2,0,0,0,0,0|2,0,0]=4 5309 B14R0.392 CCCCCCCCNCOCCCC 2230a_100000229939_100011995733 [2,0,0,0,0,0|2,0,0]=4 5310 B14R0.392 CCCCCCCCNCOCCCC 34a_100000229939_100011995733 [2,0,0,0,0,0|2,0,0]=4 5311 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [2,0,0,0,0,0|1,0,0]=3 5312 B14R0.392 CCCCCCCCOCCCCCBr 34a_100000746331_100000210759 [2,0,0,0,0,0|2,0,0]=4 5313 B14R0.392 CCCCCCCCOCCCCCBr 7a_100000746331_100000210759 [2,0,0,0,0,0|2,0,0]=4 5314 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210232_100000210314 [2,0,0,0,0,0|1,0,0]=3 5315 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210259_100000210759 [2,0,0,0,0,0|1,0,0]=3 5316 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210232_100000210314 [2,0,0,0,0,0|1,0,0]=3 5317 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210259_100000210759 [2,0,0,0,0,0|1,0,0]=3 5318 B14R0.392 CCCCCCCCOCCCCCCl 34a_100000746330_100000210759 [2,0,0,0,0,0|2,0,0]=4 5319 B14R0.392 CCCCCCCCOCCCCCCl 7a_100000746330_100000210759 [2,0,0,0,0,0|2,0,0]=4 5320 B14R0.392 CCCCCCCCOCCCCCF 34a_100000210232_100000729378 [2,0,0,0,0,0|2,0,0]=4 5321 B14R0.392 CCCCCCCCOCCCCCF 7a_100000210232_100000729378 [2,0,0,0,0,0|2,0,0]=4 5322 B14R0.392 CCCCCCCCOCCCCCI 34a_200012148887_100000210759 [2,0,0,0,0,0|2,0,0]=4 5323 B14R0.392 CCCCCCCCOCCCCCI 7a_200012148887_100000210759 [2,0,0,0,0,0|2,0,0]=4 5324 B14R0.392 CCCCCCCCOCCCCCN 34a_100000762737_100000210759 [2,0,0,0,0,0|2,0,0]=4 5325 B14R0.392 CCCCCCCCOCCCCCO 34a_100000210232_100000746330 [2,0,0,0,0,0|1,0,1]=4 5326 B14R0.392 CCCCCCCCOCCCCCO 7a_100000210232_100000746330 [2,0,0,0,0,0|1,0,1]=4 5327 B14R0.392 CCCCCCCCOCCCCOC 34a_100000210232_100000755781 [2,0,0,0,0,0|2,0,0]=4 5328 B14R0.392 CCCCCCCCOCCCCOC 34a_100000740925_100000210759 [2,0,0,0,0,0|2,0,0]=4 5329 B14R0.392 CCCCCCCCOCCCCOC 7a_100000210232_100000730899 [2,0,0,0,0,0|2,0,0]=4 5330 B14R0.392 CCCCCCCCOCCCCSC 34a_100011217163_100000210759 [2,0,0,0,0,0|2,0,0]=4 5331 B14R0.392 CCCCCCCCOCCCCSC 7a_100011217163_100000210759 [2,0,0,0,0,0|2,0,0]=4 5332 B14R0.392 CCCCCCCCOCCCOCC 34a_100000210232_100012232248 [2,0,0,0,0,0|2,0,0]=4 5333 B14R0.392 CCCCCCCCOCCCOCC 34a_100000757476_100000210759 [2,0,0,0,0,0|2,0,0]=4 5334 B14R0.392 CCCCCCCCOCCCOCC 7a_100000210232_100012232248 [2,0,0,0,0,0|2,0,0]=4 5335 B14R0.392 CCCCCCCCOCCCOCC 7a_100000757476_100000210759 [2,0,0,0,0,0|2,0,0]=4 5336 B14R0.392 CCCCCCCCOCCCSCC 34a_100011216438_100000210759 [2,0,0,0,0,0|2,0,0]=4 5337 B14R0.392 CCCCCCCCOCCCSCC 7a_100011216438_100000210759 [2,0,0,0,0,0|2,0,0]=4 5338 B14R0.392 CCCCCCCCOCCOCCC 34a_100000210232_100011215938 [2,0,0,0,0,0|2,0,0]=4 5339 B14R0.392 CCCCCCCCOCCOCCC 34a_100000752267_100000210759 [2,0,0,0,0,0|2,0,0]=4 5340 B14R0.392 CCCCCCCCOCCOCCC 7a_100000210232_100011215938 [2,0,0,0,0,0|2,0,0]=4 5341 B14R0.392 CCCCCCCCOCCOCCC 7a_100000752267_100000210759 [2,0,0,0,0,0|2,0,0]=4 5342 B14R0.392 CCCCCCCCOCCSCCC 34a_200000230433_100000210759 [2,0,0,0,0,0|2,0,0]=4 5343 B14R0.392 CCCCCCCCOCCSCCC 7a_200000230433_100000210759 [2,0,0,0,0,0|2,0,0]=4 5344 B14R0.392 CCCCCCCCOCOCCCC 34a_100000210232_100011995733 [2,0,0,0,0,0|2,0,0]=4 5345 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [2,0,0,0,0,0|1,0,0]=3 5346 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [2,0,0,0,0,0|1,0,0]=3 5347 B14R0.392 CCCCCCCCSCCCCCO 62a_100000210759_100000746330 [2,0,0,0,0,0|1,0,1]=4 5348 B14R0.392 CCCCCCCCSCCCCCO 62a_100000746330_100000210317 [2,0,0,0,0,0|1,0,1]=4 5349 B14R0.392 CCCCCCCCSCCCCOC 62a_100000210759_100000730899 [2,0,0,0,0,0|2,0,0]=4 5350 B14R0.392 CCCCCCCCSCCCCOC 62a_100000730899_100000210317 [2,0,0,0,0,0|2,0,0]=4 5351 B14R0.392 CCCCCCCCSCCCOCC 62a_100000210759_100012232248 [2,0,0,0,0,0|2,0,0]=4 5352 B14R0.392 CCCCCCCCSCCCOCC 62a_100012232248_100000210317 [2,0,0,0,0,0|2,0,0]=4 5353 B14R0.392 CCCCCCCCSCCOCCC 62a_100000210759_100011215938 [2,0,0,0,0,0|2,0,0]=4 5354 B14R0.392 CCCCCCCCSCCOCCC 62a_100011215938_100000210317 [2,0,0,0,0,0|2,0,0]=4 5355 B14R0.392 CCCCCCCCSCOCCCC 62a_100000210759_100011995733 [2,0,0,0,0,0|2,0,0]=4 5356 B14R0.392 CCCCCCCCSCOCCCC 62a_100011995733_100000210317 [2,0,0,0,0,0|2,0,0]=4 5357 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [2,0,0,0,0,0|1,0,0]=3 5358 B14R0.392 CCCCCCCNCCCCCCC 2230a_100000229938_100000210681 [2,0,0,0,0,0|1,0,0]=3 5359 B14R0.392 CCCCCCCNCCCCCCF 2230a_100000229938_100015922095 [2,0,0,0,0,0|2,0,0]=4 5360 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000229938_100000766143 [2,0,0,0,0,0|1,0,1]=4 5361 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000686447_100000210681 [2,0,0,0,0,0|1,0,1]=4 5362 B14R0.392 CCCCCCCNCCCCCCO 34a_100000686447_100000210614 [2,0,0,0,0,0|1,0,1]=4 5363 B14R0.392 CCCCCCCNCCCCCOC 2230a_100000747528_100000210681 [2,0,0,0,0,0|2,0,0]=4 5364 B14R0.392 CCCCCCCNCCCCCOC 34a_100000747528_100000210614 [2,0,0,0,0,0|2,0,0]=4 5365 B14R0.392 CCCCCCCNCCCOCCC 2230a_100011217757_100000210681 [2,0,0,0,0,0|2,0,0]=4 5366 B14R0.392 CCCCCCCNCCCOCCC 34a_100011217757_100000210614 [2,0,0,0,0,0|2,0,0]=4 5367 B14R0.392 CCCCCCCNCCOCCCC 2230a_100000229938_100000743108 [2,0,0,0,0,0|2,0,0]=4 5368 B14R0.392 CCCCCCCNCCSCCCC 2230a_100025743550_100000210681 [2,0,0,0,0,0|2,0,0]=4 5369 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [2,0,0,0,0,0|1,0,0]=3 5370 B14R0.392 CCCCCCCOCCCCCCBr 34a_100011215345_100000210614 [2,0,0,0,0,0|2,0,0]=4 5371 B14R0.392 CCCCCCCOCCCCCCBr 7a_100011215345_100000210614 [2,0,0,0,0,0|2,0,0]=4 5372 B14R0.392 CCCCCCCOCCCCCCC 34a_100000210272_100000210614 [2,0,0,0,0,0|1,0,0]=3 5373 B14R0.392 CCCCCCCOCCCCCCC 7a_100000210272_100000210614 [2,0,0,0,0,0|1,0,0]=3 5374 B14R0.392 CCCCCCCOCCCCCCCl 34a_100000766143_100000210614 [2,0,0,0,0,0|2,0,0]=4 5375 B14R0.392 CCCCCCCOCCCCCCCl 7a_100000766143_100000210614 [2,0,0,0,0,0|2,0,0]=4 5376 B14R0.392 CCCCCCCOCCCCCCF 34a_100000210272_100015922095 [2,0,0,0,0,0|2,0,0]=4 5377 B14R0.392 CCCCCCCOCCCCCCF 34a_100000732779_100000210614 [2,0,0,0,0,0|2,0,0]=4 5378 B14R0.392 CCCCCCCOCCCCCCF 7a_100000210272_100015922095 [2,0,0,0,0,0|2,0,0]=4 5379 B14R0.392 CCCCCCCOCCCCCCF 7a_100000732779_100000210614 [2,0,0,0,0,0|2,0,0]=4 5380 B14R0.392 CCCCCCCOCCCCCCN 34a_100000686447_100000210614 [2,0,0,0,0,0|2,0,0]=4 5381 B14R0.392 CCCCCCCOCCCCCCO 34a_100000210272_100000766143 [2,0,0,0,0,0|1,0,1]=4 5382 B14R0.392 CCCCCCCOCCCCCCO 7a_100000210272_100000766143 [2,0,0,0,0,0|1,0,1]=4 5383 B14R0.392 CCCCCCCOCCCCCNC 34a_100000722520_100000210614 [2,0,0,0,0,0|2,0,0]=4 5384 B14R0.392 CCCCCCCOCCOCCCC 34a_100000210238_100000210614 [2,0,0,0,0,0|2,0,0]=4 5385 B14R0.392 CCCCCCCOCCOCCCC 34a_100000210272_100000743108 [2,0,0,0,0,0|2,0,0]=4 5386 B14R0.392 CCCCCCCOCCOCCCC 7a_100000210238_100000210614 [2,0,0,0,0,0|2,0,0]=4 5387 B14R0.392 CCCCCCCOCCOCCCC 7a_100000210272_100000743108 [2,0,0,0,0,0|2,0,0]=4 5388 B14R0.392 CCCCCCCOCCSCCCC 34a_200000230436_100000210614 [2,0,0,0,0,0|2,0,0]=4 5389 B14R0.392 CCCCCCCOCCSCCCC 7a_200000230436_100000210614 [2,0,0,0,0,0|2,0,0]=4 5390 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [2,0,0,0,0,0|1,0,0]=3 5391 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [2,0,0,0,0,0|1,0,0]=3 5392 B14R0.392 CCCCCCCSCCCCCCO 62a_100000210614_100000766143 [2,0,0,0,0,0|1,0,1]=4 5393 B14R0.392 CCCCCCCSCCCCCCO 62a_100000766143_100000210316 [2,0,0,0,0,0|1,0,1]=4 5394 B14R0.392 CCCCCCCSCCOCCCC 62a_100000210614_100000743108 [2,0,0,0,0,0|2,0,0]=4 5395 B14R0.392 CCCCCCCSCCOCCCC 62a_100000743108_100000210316 [2,0,0,0,0,0|2,0,0]=4 5396 B14R0.392 CCCCCCNCCCCCCCO 2230a_100000210581_100000760002 [2,0,0,0,0,0|1,0,1]=4 5397 B14R0.392 CCCCCCNCCCCCCCO 2230a_100011996573_100000210314 [2,0,0,0,0,0|1,0,1]=4 5398 B14R0.392 CCCCCCNCCCCCCCO 34a_100011996573_100000210314 [2,0,0,0,0,0|1,0,1]=4 5399 B14R0.392 CCCCCCNCCCCCCOC 2230a_100000210581_100011998445 [2,0,0,0,0,0|2,0,0]=4 5400 B14R0.392 CCCCCCNCCCOCCCC 2230a_200000211371_100000210314 [2,0,0,0,0,0|2,0,0]=4 5401 B14R0.392 CCCCCCNCCCOCCCC 34a_200000211371_100000210314 [2,0,0,0,0,0|2,0,0]=4 5402 B14R0.392 CCCCCCOCCCCCCCBr 34a_100000760002_100000210314 [2,0,0,0,0,0|2,0,0]=4 5403 B14R0.392 CCCCCCOCCCCCCCBr 7a_100000760002_100000210314 [2,0,0,0,0,0|2,0,0]=4 5404 B14R0.392 CCCCCCOCCCCCCCN 34a_100011996573_100000210314 [2,0,0,0,0,0|2,0,0]=4 5405 B14R0.392 CCCCCCOCCCCCCCO 34a_100000210259_100000760002 [2,0,0,0,0,0|1,0,1]=4 5406 B14R0.392 CCCCCCOCCCCCCCO 7a_100000210259_100000760002 [2,0,0,0,0,0|1,0,1]=4 5407 B14R0.392 CCCCCCOCCCCCCOC 34a_100000210259_100011998445 [2,0,0,0,0,0|2,0,0]=4 5408 B14R0.392 CCCCCCOCCCCCCOC 34a_200012092642_100000210314 [2,0,0,0,0,0|2,0,0]=4 5409 B14R0.392 CCCCCCOCCCCCCOC 7a_100000210259_100011998445 [2,0,0,0,0,0|2,0,0]=4 5410 B14R0.392 CCCCCCOCCCCCCOC 7a_200012092642_100000210314 [2,0,0,0,0,0|2,0,0]=4 5411 B14R0.392 CCCCCCOCCCOCCCC 34a_200011215613_100000210314 [2,0,0,0,0,0|2,0,0]=4 5412 B14R0.392 CCCCCCOCCCOCCCC 7a_200011215613_100000210314 [2,0,0,0,0,0|2,0,0]=4 5413 B14R0.392 CCCCCCOCCNCCCCC 34a_100000224656_100000210314 [2,0,0,0,0,0|2,0,0]=4 5414 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [2,0,0,0,0,0|2,0,0]=4 5415 B14R0.392 CCCCCCOCCOCCCCC 34a_100000691444_100000718602 [2,0,0,0,0,0|2,0,0]=4 5416 B14R0.392 CCCCCCOCCOCCCCC 34a_100011215259_100000210314 [2,0,0,0,0,0|2,0,0]=4 5417 B14R0.392 CCCCCCOCCOCCCCC 7a_100000691444_100000210326 [2,0,0,0,0,0|2,0,0]=4 5418 B14R0.392 CCCCCCOCCOCCCCC 7a_100011215259_100000210314 [2,0,0,0,0,0|2,0,0]=4 5419 B14R0.392 CCCCCCSCCCCCCCO 62a_100000210314_100000760002 [2,0,0,0,0,0|1,0,1]=4 5420 B14R0.392 CCCCCCSCCCCCCCO 62a_100000760002_100000210757 [2,0,0,0,0,0|1,0,1]=4 5421 B14R0.392 CCCCCCSCCCCCCOC 62a_100000210314_100011998445 [2,0,0,0,0,0|2,0,0]=4 5422 B14R0.392 CCCCCCSCCCCCCOC 62a_100011998445_100000210757 [2,0,0,0,0,0|2,0,0]=4 5423 B14R0.392 CCCCCNCCCCCCCCO 2230a_100000209983_100000033203 [2,0,0,0,0,0|1,0,1]=4 5424 B14R0.392 CCCCCNCCCCCCCCO 2230a_102515433106_100000210326 [2,0,0,0,0,0|1,0,1]=4 5425 B14R0.392 CCCCCNCCCCCCCCO 34a_102515433106_100000718602 [2,0,0,0,0,0|1,0,1]=4 5426 B14R0.392 CCCCCOCCCCCCCCBr 34a_100009813846_100000718602 [2,0,0,0,0,0|2,0,0]=4 5427 B14R0.392 CCCCCOCCCCCCCCBr 7a_100009813846_100000210326 [2,0,0,0,0,0|2,0,0]=4 5428 B14R0.392 CCCCCOCCCCCCCCCl 34a_100000033203_100000718602 [2,0,0,0,0,0|2,0,0]=4 5429 B14R0.392 CCCCCOCCCCCCCCCl 7a_100000033203_100000210326 [2,0,0,0,0,0|2,0,0]=4 5430 B14R0.392 CCCCCOCCCCCCCCN 34a_102515433106_100000718602 [2,0,0,0,0,0|2,0,0]=4 5431 B14R0.392 CCCCCOCCCCCCCCO 34a_100000210253_100000033203 [2,0,0,0,0,0|1,0,1]=4 5432 B14R0.392 CCCCCOCCCCCCCCO 7a_100000210253_100000033203 [2,0,0,0,0,0|1,0,1]=4 5433 B14R0.392 CCCCCOCCCCNCCCC 34a_200011216965_100000718602 [2,0,0,0,0,0|2,0,0]=4 5434 B14R0.392 CCCCCOCCCCOCCCC 34a_200000760531_100000718602 [2,0,0,0,0,0|2,0,0]=4 5435 B14R0.392 CCCCCOCCCCOCCCC 7a_200000760531_100000210326 [2,0,0,0,0,0|2,0,0]=4 5436 B14R0.392 CCCCCOCCOCCCCC=O 7a_100011215259_100000139335 [2,0,0,0,0,0|2,0,0]=4 5437 B14R0.392 CCCCCSCCCCCCCCO 62a_100000033203_100000210326 [2,0,0,0,0,0|1,0,1]=4 5438 B14R0.392 CCCCCSCCCCCCCCO 62a_100000210326_100000033203 [2,0,0,0,0,0|1,0,1]=4 5439 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000078944_100000210211 [2,0,0,0,0,0|1,0,1]=4 5440 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000102301_100009813782 [2,0,0,0,0,0|1,0,1]=4 5441 B14R0.392 CCCCNCCCCCCCCCO 34a_100000078944_100000210210 [2,0,0,0,0,0|1,0,1]=4 5442 B14R0.392 CCCCNCCCCCCCCCO 7a_106832991798_100009813782 [2,0,0,0,0,0|1,0,1]=4 5443 B14R0.392 CCCCOCCCCCCCCCBr 34a_100009813782_100000210210 [2,0,0,0,0,0|2,0,0]=4 5444 B14R0.392 CCCCOCCCCCCCCCBr 7a_100009813782_100000210211 [2,0,0,0,0,0|2,0,0]=4 5445 B14R0.392 CCCCOCCCCCCCCCCl 34a_100009868337_100000210210 [2,0,0,0,0,0|2,0,0]=4 5446 B14R0.392 CCCCOCCCCCCCCCCl 7a_100009868337_100000210211 [2,0,0,0,0,0|2,0,0]=4 5447 B14R0.392 CCCCOCCCCCCCCCN 34a_100000078944_100000210210 [2,0,0,0,0,0|2,0,0]=4 5448 B14R0.392 CCCCOCCCCCCCCCO 34a_100000210227_100009813782 [2,0,0,0,0,0|1,0,1]=4 5449 B14R0.392 CCCCOCCCCCCCCCO 7a_100000210227_100009813782 [2,0,0,0,0,0|1,0,1]=4 5450 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [2,0,0,0,0,0|2,0,0]=4 5451 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [2,0,0,0,0,0|2,0,0]=4 5452 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [2,0,0,0,0,0|2,0,0]=4 5453 B14R0.392 CCCCOCCOCCCCCC=O 7a_100000210238_100000139337 [2,0,0,0,0,0|2,0,0]=4 5454 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000139337_100000743108 [2,0,0,0,0,0|2,0,0]=4 5455 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000743108_100000139337 [2,0,0,0,0,0|2,0,0]=4 5456 B14R0.392 CCCCSCCCCCCCCCO 62a_100000210211_100009813782 [2,0,0,0,0,0|1,0,1]=4 5457 B14R0.392 CCCCSCCCCCCCCCO 62a_100009813782_100000210210 [2,0,0,0,0,0|1,0,1]=4 5458 B14R0.392 CCCCSCCNCCCCCC=O 2230a_100025743550_100000139337 [2,0,0,0,0,0|2,0,0]=4 5459 B14R0.392 CCCCSCCOCCCCCC=O 7a_200000230436_100000139337 [2,0,0,0,0,0|2,0,0]=4 5460 B14R0.392 CCCNCCCCCCCCCCO 2230a_100000066964_100000210303 [2,0,0,0,0,0|1,0,1]=4 5461 B14R0.392 CCCNCCCCCCCCCCO 34a_100000066964_100000210303 [2,0,0,0,0,0|1,0,1]=4 5462 B14R0.392 CCCOCCCCCCCCCCBr 34a_100009813290_100000210303 [2,0,0,0,0,0|2,0,0]=4 5463 B14R0.392 CCCOCCCCCCCCCCBr 7a_100009813290_100000210303 [2,0,0,0,0,0|2,0,0]=4 5464 B14R0.392 CCCOCCCCCCCCCCCl 34a_200000033068_100000210303 [2,0,0,0,0,0|2,0,0]=4 5465 B14R0.392 CCCOCCCCCCCCCCCl 7a_200000033068_100000210303 [2,0,0,0,0,0|2,0,0]=4 5466 B14R0.392 CCCOCCCCCCCCCCN 34a_100000066964_100000210303 [2,0,0,0,0,0|2,0,0]=4 5467 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [2,0,0,0,0,0|1,0,1]=4 5468 B14R0.392 CCCOCCCNCCCCCC=O 2230a_100011217757_100000139337 [2,0,0,0,0,0|2,0,0]=4 5469 B14R0.392 CCCSCCCCCCCCCCO 62a_100000210303_200000033068 [2,0,0,0,0,0|1,0,1]=4 5470 B14R0.392 CCCSCCCCCCCCCCO 62a_100009813290_100000210303 [2,0,0,0,0,0|1,0,1]=4 5471 B14R0.392 CCNCCCCCCCCCCCO 2230a_100015525214_100009812471 [2,0,0,0,0,0|1,0,1]=4 5472 B14R0.392 CCOCCCCCCCCCCCBr 34a_100009812471_100000210202 [2,0,0,0,0,0|2,0,0]=4 5473 B14R0.392 CCOCCCCCCCCCCCBr 7a_100009812471_100000210202 [2,0,0,0,0,0|2,0,0]=4 5474 B14R0.392 CCOCCCCCCCCCCCO 34a_100121572206_100009812471 [2,0,0,0,0,0|1,0,1]=4 5475 B14R0.392 CCOCCCCCCCCCOCC 34a_100009875440_100000210202 [2,0,0,0,0,0|2,0,0]=4 5476 B14R0.392 CCOCCCCCCCCCOCC 7a_100009875440_100000210202 [2,0,0,0,0,0|2,0,0]=4 5477 B14R0.392 CCSCCCCCCCCCCCO 62a_100009812471_100000210202 [2,0,0,0,0,0|1,0,1]=4 5478 B14R0.392 CNCCCCCCCCCCCCO 2230a_100000066677_200000210301 [2,0,0,0,0,0|1,0,1]=4 5479 B14R0.392 CNCCCCCCCCCCCCO 2230a_106832991635_100009813331 [2,0,0,0,0,0|1,0,1]=4 5480 B14R0.392 CNCCCCCCCCCCCCO 34a_100000066677_200000210301 [2,0,0,0,0,0|1,0,1]=4 5481 B14R0.392 CNCCCCCCCCCCCCO 34a_100102657272_100009813331 [2,0,0,0,0,0|1,0,1]=4 5482 B14R0.392 CNCCCCCCCCCCCCO 7a_106832991635_100009813331 [2,0,0,0,0,0|1,0,1]=4 5483 B14R0.392 COCCCCCCCCCCCCBr 34a_100009813331_200000210301 [2,0,0,0,0,0|2,0,0]=4 5484 B14R0.392 COCCCCCCCCCCCCBr 7a_100009813331_200000210301 [2,0,0,0,0,0|2,0,0]=4 5485 B14R0.392 COCCCCCCCCCCCCN 34a_100000066677_200000210301 [2,0,0,0,0,0|2,0,0]=4 5486 B14R0.392 COCCCCCCCCCCCCO 34a_100138415774_100009813331 [2,0,0,0,0,0|1,0,1]=4 5487 B14R0.392 COCCCCCCOCCCCC=O 7a_200012092642_100000139335 [2,0,0,0,0,0|2,0,0]=4 5488 B14R0.392 COCCCCCCSCCCCC=O 62a_100000139335_100011998445 [2,0,0,0,0,0|2,0,0]=4 5489 B14R0.392 COCCCCCCSCCCCC=O 62a_100011998445_100000139335 [2,0,0,0,0,0|2,0,0]=4 5490 B14R0.392 COCCCCCNCCCCCC=O 2230a_100000747528_100000139337 [2,0,0,0,0,0|2,0,0]=4 5491 B14R0.392 CSCCCCCCCCCCCCO 62a_100009813331_200000210301 [2,0,0,0,0,0|1,0,1]=4 5492 B14R0.392 NCCCCCCCCCCOCC=O 34a_100000066964_200009817547 [2,0,0,0,0,0|2,0,0]=4 5493 B14R0.392 O=CCCCCCNCCCCCCO 2230a_100000686447_100000139337 [2,0,0,0,0,0|2,0,0]=4 5494 B14R0.392 O=CCCCCCOCCCCCCBr 7a_100011215345_100000139337 [2,0,0,0,0,0|2,0,0]=4 5495 B14R0.392 O=CCCCCCOCCCCCCCl 7a_100000766143_100000139337 [2,0,0,0,0,0|2,0,0]=4 5496 B14R0.392 O=CCCCCCOCCCCCCF 7a_100000732779_100000139337 [2,0,0,0,0,0|2,0,0]=4 5497 B14R0.392 O=CCCCCCSCCCCCCF 62a_100000139337_100015922095 [2,0,0,0,0,0|2,0,0]=4 5498 B14R0.392 O=CCCCCCSCCCCCCF 62a_100015922095_100000139337 [2,0,0,0,0,0|2,0,0]=4 5499 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000139337_100000766143 [2,0,0,0,0,0|2,0,0]=4 5500 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000766143_100000139337 [2,0,0,0,0,0|2,0,0]=4 5501 B14R0.392 O=CCCCCNCCCCCCCO 2230a_100011996573_100000139335 [2,0,0,0,0,0|2,0,0]=4 5502 B14R0.392 O=CCCCCOCCCCCCCBr 7a_100000760002_100000139335 [2,0,0,0,0,0|2,0,0]=4 5503 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000139335_100000760002 [2,0,0,0,0,0|2,0,0]=4 5504 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000760002_100000139335 [2,0,0,0,0,0|2,0,0]=4 5505 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [2,0,0,0,0,0|2,0,0]=4 5506 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [2,0,0,0,0,0|2,0,0]=4 5507 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [2,0,0,0,0,0|2,0,0]=4 5508 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [2,0,0,0,0,0|2,0,0]=4 5509 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [2,0,0,0,0,0|2,0,0]=4 5510 B14R0.392 O=CCNCCCCCCCCCCO 2230a_100000066964_200015260668 [2,0,0,0,0,0|2,0,0]=4 5511 B14R0.392 O=CCNCCCCCCCCCCO 34a_100000066964_200009817547 [2,0,0,0,0,0|2,0,0]=4 5512 B14R0.392 O=CCOCCCCCCCCCCBr 34a_100009813290_200009817547 [2,0,0,0,0,0|2,0,0]=4 5513 B14R0.392 O=CCOCCCCCCCCCCBr 7a_100009813290_200015260668 [2,0,0,0,0,0|2,0,0]=4 5514 B14R0.392 O=CCOCCCCCCCCCCCl 34a_200000033068_200009817547 [2,0,0,0,0,0|2,0,0]=4 5515 B14R0.392 O=CCOCCCCCCCCCCCl 7a_200000033068_200015260668 [2,0,0,0,0,0|2,0,0]=4 5516 B14R0.392 O=CCSCCCCCCCCCCO 62a_100009813290_200015260668 [2,0,0,0,0,0|2,0,0]=4 5517 B14R0.392 O=CCSCCCCCCCCCCO 62a_200015260668_200000033068 [2,0,0,0,0,0|2,0,0]=4 5518 B14R0.392 [13CH3]NCCCCCCCCCCCCO 2230a_100000066677_200025704644 [2,0,0,0,0,0|1,0,1]=4 5519 B14R0.392 [13CH3]NCCCCCCCCCCCCO 34a_100000066677_200025704644 [2,0,0,0,0,0|1,0,1]=4 5520 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 34a_100009813331_200025704644 [2,0,0,0,0,0|2,0,0]=4 5521 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 7a_100009813331_200025704644 [2,0,0,0,0,0|2,0,0]=4 5522 B14R0.392 [13CH3]OCCCCCCCCCCCCN 34a_100000066677_200025704644 [2,0,0,0,0,0|2,0,0]=4 5523 B14R0.392 [13CH3]SCCCCCCCCCCCCO 62a_100009813331_200025704644 [2,0,0,0,0,0|1,0,1]=4 5524 B16R0.61 C=CCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011933949 [1,1,0,0,0,0|1,0,1]=4 5525 B16R0.61 C=CCCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100012355270 [1,1,0,0,0,0|1,0,1]=4 5526 B16R0.61 C=CC[C@@H](N)COCCCCCCCCCC 34a_100020615467_100000210320 [1,1,0,0,0,0|1,0,1]=4 5527 B16R0.61 CCCC(=O)CCCCCCCCCCCO 1458a_100000211992_100009812471 [1,1,0,0,0,0|0,0,2]=4 5528 B16R0.61 CCCC(C)CCCOCCCCCCCO 34a_100011713154_100000760002 [1,1,0,0,0,0|1,0,1]=4 5529 B16R0.61 CCCC(C)CCCOCCCCCCCO 7a_100011713154_100000760002 [1,1,0,0,0,0|1,0,1]=4 5530 B16R0.61 CCCC(C)CCOCCCCCCCCO 34a_100011217855_100000033203 [1,1,0,0,0,0|1,0,1]=4 5531 B16R0.61 CCCC(C)CCOCCCCCCCCO 7a_100011217855_100000033203 [1,1,0,0,0,0|1,0,1]=4 5532 B16R0.61 CCCC(C)CNCCCCCCCCCO 2230a_100000078944_100011216630 [1,1,0,0,0,0|1,0,1]=4 5533 B16R0.61 CCCC(C)CNCCCCCCCCCO 270004a_100000078944_100000243154 [1,1,0,0,0,0|1,0,1]=4 5534 B16R0.61 CCCC(C)CNCCCCCCCCCO 34a_100000078944_100011216630 [1,1,0,0,0,0|1,0,1]=4 5535 B16R0.61 CCCC(C)COCCCCCCCCCN 34a_100000078944_100011216630 [1,1,0,0,0,0|2,0,0]=4 5536 B16R0.61 CCCC(C)COCCCCCCCCCO 34a_100000688023_100009813782 [1,1,0,0,0,0|1,0,1]=4 5537 B16R0.61 CCCC(C)COCCCCCCCCCO 7a_100000688023_100009813782 [1,1,0,0,0,0|1,0,1]=4 5538 B16R0.61 CCCC(C)CSCCCCCCCCCO 62a_100009813782_100011216630 [1,1,0,0,0,0|1,0,1]=4 5539 B16R0.61 CCCC(C)CSCCCCCCCCCO 62a_100011216630_100009813782 [1,1,0,0,0,0|1,0,1]=4 5540 B16R0.61 CCCC(C)NCCCCCCCCCCO 2230a_100000066964_100000766640 [1,1,0,0,0,0|1,0,1]=4 5541 B16R0.61 CCCC(C)NCCCCCCCCCCO 2230a_100000741246_100009813290 [1,1,0,0,0,0|1,0,1]=4 5542 B16R0.61 CCCC(C)NCCCCCCCCCCO 270004a_100000066964_100000211909 [1,1,0,0,0,0|1,0,1]=4 5543 B16R0.61 CCCC(C)NCCCCCCCCCCO 34a_100000066964_100000766640 [1,1,0,0,0,0|1,0,1]=4 5544 B16R0.61 CCCC(C)OCCCCCCCCCCN 34a_100000066964_100000766640 [1,1,0,0,0,0|2,0,0]=4 5545 B16R0.61 CCCC(C)OCCCCCCCCCCO 34a_100000764384_100009813290 [1,1,0,0,0,0|1,0,1]=4 5546 B16R0.61 CCCC(C)OCCCCCCCCCCO 7a_100000764384_100009813290 [1,1,0,0,0,0|1,0,1]=4 5547 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011215791_100000211926 [1,1,0,0,0,0|0,0,2]=4 5548 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000759014 [1,1,0,0,0,0|0,0,2]=4 5549 B16R0.61 CCCCCCCCCCCCN(C)CC=O 2230a_100000227908_200015260668 [1,1,0,0,0,0|1,0,0]=3 5550 B16R0.61 CCCCCCCCCCCCN(C)CC=O 269982a_100000227908_200015260668 [1,1,0,0,0,0|1,0,0]=3 5551 B16R0.61 CCCCCCCCCCCCN(C)CCF 2230a_100000227908_100011217306 [1,1,0,0,0,0|2,0,0]=4 5552 B16R0.61 CCCCCCCCCCCCN(C)CCF 269982a_100000227908_100011217306 [1,1,0,0,0,0|2,0,0]=4 5553 B16R0.61 CCCCCCCCCCCCN(C)CCO 2230a_100000210263_100011215052 [1,1,0,0,0,0|1,0,1]=4 5554 B16R0.61 CCCCCCCCCCCCN(C)CCO 2230a_100000227908_100000211926 [1,1,0,0,0,0|1,0,1]=4 5555 B16R0.61 CCCCCCCCCCCCN(C)CCO 269982a_100000210263_100000759014 [1,1,0,0,0,0|1,0,1]=4 5556 B16R0.61 CCCCCCCCCCCCN(C)CCO 269982a_100000227908_100000211926 [1,1,0,0,0,0|1,0,1]=4 5557 B16R0.61 CCCCCCCCCCCCN(C)CCO 270004a_100000210263_100011218549 [1,1,0,0,0,0|1,0,1]=4 5558 B16R0.61 CCCCCCCCCCCNC(C)CCO 2230a_200011215754_100009893172 [1,1,0,0,0,0|1,0,1]=4 5559 B16R0.61 CCCCCCCCCCCNC(C)CCO 34a_200011215754_100009893172 [1,1,0,0,0,0|1,0,1]=4 5560 B16R0.61 CCCCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100011215454 [1,1,0,0,0,0|1,0,1]=4 5561 B16R0.61 CCCCCCCCCCCN[C@H](C)CCO 34a_100000706166_100011215454 [1,1,0,0,0,0|1,0,1]=4 5562 B16R0.61 CCCCCCCCCCCOC(C)CCO 34a_100000210809_100009893172 [1,1,0,0,0,0|1,0,1]=4 5563 B16R0.61 CCCCCCCCCCCOC(C)CCO 7a_100000210809_100009893172 [1,1,0,0,0,0|1,0,1]=4 5564 B16R0.61 CCCCCCCCCCOCC(C)CCN 34a_106354213184_100000210320 [1,1,0,0,0,0|2,0,0]=4 5565 B16R0.61 CCCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210320 [1,1,0,0,0,0|1,0,1]=4 5566 B16R0.61 CCCCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100011214924 [1,1,0,0,0,0|1,0,1]=4 5567 B16R0.61 CCCN(C)CCCCCCCCCCCO 2230a_100000747261_100009812471 [1,1,0,0,0,0|1,0,1]=4 5568 B16R0.61 CCCN(C)CCCCCCCCCCCO 269982a_100000747261_100009812471 [1,1,0,0,0,0|1,0,1]=4 5569 B16R0.61 CCC[C@H](N)CCOCCCCCCCCO 34a_100015193777_100000033203 [1,1,0,0,0,0|1,0,1]=4 5570 B16R0.61 CCC[C@H](N)COCCCCCCCCCO 34a_100000732646_100009813782 [1,1,0,0,0,0|1,0,1]=4 5571 B16R0.68 CCCCCC(=O)CCCCCCCCCO 1458a_100000212188_100009813782 [1,1,0,0,0,0|0,0,2]=4 5572 B16R0.68 CCCCCC(C)NCCCCCCCCO 2230a_100000211957_100000033203 [1,1,0,0,0,0|1,0,1]=4 5573 B16R0.68 CCCCCC(C)NCCCCCCCCO 2230a_102515433106_200011218191 [1,1,0,0,0,0|1,0,1]=4 5574 B16R0.68 CCCCCC(C)NCCCCCCCCO 270004a_102515433106_100000211708 [1,1,0,0,0,0|1,0,1]=4 5575 B16R0.68 CCCCCC(C)NCCCCCCCCO 34a_102515433106_200011218191 [1,1,0,0,0,0|1,0,1]=4 5576 B16R0.68 CCCCCC(C)OCCCCCCCCN 34a_102515433106_200011218191 [1,1,0,0,0,0|2,0,0]=4 5577 B16R0.68 CCCCCC(C)OCCCCCCCCO 34a_100011215632_100000033203 [1,1,0,0,0,0|1,0,1]=4 5578 B16R0.68 CCCCCC(C)OCCCCCCCCO 7a_100011215632_100000033203 [1,1,0,0,0,0|1,0,1]=4 5579 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000210375_100000210776 [1,1,0,0,0,0|0,0,2]=4 5580 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210319 [1,1,0,0,0,0|0,0,2]=4 5581 B16R0.68 CCCCCCCCCCC(C)NCCCF 270004a_100015189416_200011219864 [1,1,0,0,0,0|2,0,0]=4 5582 B16R0.68 CCCCCCCCCCC(C)NCCCO 270004a_100000182051_200011219864 [1,1,0,0,0,0|1,0,1]=4 5583 B16R0.68 CCCCCCCCCCC(C)OCCCO 34a_100011215000_100000230001 [1,1,0,0,0,0|1,0,1]=4 5584 B16R0.68 CCCCCCCCCCC(C)OCCCO 7a_100011215000_100011215043 [1,1,0,0,0,0|1,0,1]=4 5585 B16R0.68 CCCCCCCCCCN(C)CCCC=O 2230a_100000207566_200011292268 [1,1,0,0,0,0|1,0,0]=3 5586 B16R0.68 CCCCCCCCCCN(C)CCCC=O 269982a_100000207566_200011292268 [1,1,0,0,0,0|1,0,0]=3 5587 B16R0.68 CCCCCCCCCCN(C)CCCCF 2230a_100000207566_100000729493 [1,1,0,0,0,0|2,0,0]=4 5588 B16R0.68 CCCCCCCCCCN(C)CCCCF 269982a_100000207566_100000729493 [1,1,0,0,0,0|2,0,0]=4 5589 B16R0.68 CCCCCCCCCCN(C)CCCCO 2230a_100000207566_100000210776 [1,1,0,0,0,0|1,0,1]=4 5590 B16R0.68 CCCCCCCCCCN(C)CCCCO 2230a_100000717598_100000210320 [1,1,0,0,0,0|1,0,1]=4 5591 B16R0.68 CCCCCCCCCCN(C)CCCCO 269982a_100000207566_100000210776 [1,1,0,0,0,0|1,0,1]=4 5592 B16R0.68 CCCCCCCCCCN(C)CCCCO 269982a_100000717598_100000210320 [1,1,0,0,0,0|1,0,1]=4 5593 B16R0.68 CCCCCCCCOC[C@@H](N)CCCCN 34a_100016993712_100000210759 [1,1,0,0,0,0|2,0,0]=4 5594 B16R0.68 CCCCCN(C)CCCCCCCCCO 2230a_100000223495_100009813782 [1,1,0,0,0,0|1,0,1]=4 5595 B16R0.68 CCCCCN(C)CCCCCCCCCO 269982a_100000223495_100009813782 [1,1,0,0,0,0|1,0,1]=4 5596 B16R0.136 C=CCCCNCC(C)CCCCCCCC 270004a_100000700776_100011995885 [1,1,0,0,0,0|1,0,1]=4 5597 B16R0.136 CCCCCCCC(=O)CCCCCCCO 1458a_100000211969_100000760002 [1,1,0,0,0,0|0,0,2]=4 5598 B16R0.136 CCCCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210614 [1,1,0,0,0,0|0,0,2]=4 5599 B16R0.136 CCCCCCCC(C)NCCCCCCO 2230a_100000686447_200011218727 [1,1,0,0,0,0|1,0,1]=4 5600 B16R0.136 CCCCCCCC(C)NCCCCCCO 270004a_100000686447_100000210596 [1,1,0,0,0,0|1,0,1]=4 5601 B16R0.136 CCCCCCCC(C)NCCCCCCO 34a_100000686447_200011218727 [1,1,0,0,0,0|1,0,1]=4 5602 B16R0.136 CCCCCCCC(C)OCCCCCC=O 7a_200011215852_100000139337 [1,1,0,0,0,0|1,0,0]=3 5603 B16R0.136 CCCCCCCC(C)OCCCCCCN 34a_100000686447_200011218727 [1,1,0,0,0,0|2,0,0]=4 5604 B16R0.136 CCCCCCCC(C)OCCCCCCO 34a_200011215852_100000766143 [1,1,0,0,0,0|1,0,1]=4 5605 B16R0.136 CCCCCCCC(C)OCCCCCCO 7a_200011215852_100000766143 [1,1,0,0,0,0|1,0,1]=4 5606 B16R0.136 CCCCCCCCC(=O)CCCCCCO 1458a_100000210188_100000766143 [1,1,0,0,0,0|0,0,2]=4 5607 B16R0.136 CCCCCCCCC(=O)CCCCCCO 1458a_100011996774_100000210759 [1,1,0,0,0,0|0,0,2]=4 5608 B16R0.136 CCCCCCCCC(C)CNCCCCO 270004a_100000750430_100011995885 [1,1,0,0,0,0|1,0,1]=4 5609 B16R0.136 CCCCCCCCC(C)COCCCC=O 7a_200012125181_200011292268 [1,1,0,0,0,0|1,0,0]=3 5610 B16R0.136 CCCCCCCCC(C)COCCCCO 34a_200012125181_100011216708 [1,1,0,0,0,0|1,0,1]=4 5611 B16R0.136 CCCCCCCCC(C)COCCCCO 7a_200012125181_100000210776 [1,1,0,0,0,0|1,0,1]=4 5612 B16R0.136 CCCCCCCCC(C)NCCCCCO 270004a_100000762737_100011216694 [1,1,0,0,0,0|1,0,1]=4 5613 B16R0.136 CCCCCCCCC(C)OCCCCC=O 7a_100000210740_100000139335 [1,1,0,0,0,0|1,0,0]=3 5614 B16R0.136 CCCCCCCCC(C)OCCCCCO 34a_100000210740_100000746330 [1,1,0,0,0,0|1,0,1]=4 5615 B16R0.136 CCCCCCCCC(C)OCCCCCO 7a_100000210740_100000746330 [1,1,0,0,0,0|1,0,1]=4 5616 B16R0.136 CCCCCCCCN(C)CCCCCC=O 2230a_100000207567_100000139337 [1,1,0,0,0,0|1,0,0]=3 5617 B16R0.136 CCCCCCCCN(C)CCCCCC=O 269982a_100000207567_100000139337 [1,1,0,0,0,0|1,0,0]=3 5618 B16R0.136 CCCCCCCCN(C)CCCCCCF 2230a_100000207567_100015922095 [1,1,0,0,0,0|2,0,0]=4 5619 B16R0.136 CCCCCCCCN(C)CCCCCCF 269982a_100000207567_100015922095 [1,1,0,0,0,0|2,0,0]=4 5620 B16R0.136 CCCCCCCCN(C)CCCCCCO 2230a_100000207567_100000766143 [1,1,0,0,0,0|1,0,1]=4 5621 B16R0.136 CCCCCCCCN(C)CCCCCCO 269982a_100000207567_100000766143 [1,1,0,0,0,0|1,0,1]=4 5622 B16R0.136 CCCCCCCN(C)CCCCCCCO 2230a_100000228206_100000760002 [1,1,0,0,0,0|1,0,1]=4 5623 B16R0.136 CCCCCCCN(C)CCCCCCCO 269982a_100000228206_100000760002 [1,1,0,0,0,0|1,0,1]=4 5624 B16R0.221 C=CC(O)CNCCCCCCCCCCC 2230a_200011215754_100000730141 [1,1,0,0,0,0|1,0,1]=4 5625 B16R0.221 C=CC(O)CNCCCCCCCCCCC 34a_200011215754_100000730141 [1,1,0,0,0,0|1,0,1]=4 5626 B16R0.221 C=CC(O)COCCCCCCCCCCC 34a_100000210809_100000730141 [1,1,0,0,0,0|1,0,1]=4 5627 B16R0.221 C=CC(O)COCCCCCCCCCCC 7a_100000210809_100000730141 [1,1,0,0,0,0|1,0,1]=4 5628 B16R0.221 C=CC(O)CSCCCCCCCCCCC 62a_100000730141_100011215454 [1,1,0,0,0,0|1,0,1]=4 5629 B16R0.221 C=CCCCCCCCCCNCC(C)CC 2230a_100000081888_100000748023 [1,1,0,0,0,0|1,0,1]=4 5630 B16R0.221 C=CCCCCCCCCCNCC(C)CC 2230a_100020588543_100009814027 [1,1,0,0,0,0|1,0,1]=4 5631 B16R0.221 C=CCCCCCCCCCNCC(C)CC 270004a_100000081888_100000243153 [1,1,0,0,0,0|1,0,1]=4 5632 B16R0.221 C=CCCCCCCCCCNCC(C)CC 34a_100000081888_100000748023 [1,1,0,0,0,0|1,0,1]=4 5633 B16R0.221 C=CCCCCCCCCCNCC(O)CC 2230a_100000081888_100011218378 [1,1,0,0,0,0|1,0,1]=4 5634 B16R0.221 C=CCCCCCCCCCNCC(O)CC 2230a_100011218483_100009814027 [1,1,0,0,0,0|1,0,1]=4 5635 B16R0.221 C=CCCCCCCCCCNCC(O)CC 34a_100000081888_100011218378 [1,1,0,0,0,0|1,0,1]=4 5636 B16R0.221 C=CCCCCCCCCCNC[C@@H](C)CC 2230a_100000081888_100009816398 [1,1,0,0,0,0|1,0,1]=4 5637 B16R0.221 C=CCCCCCCCCCNC[C@@H](C)CC 34a_100000081888_100009816398 [1,1,0,0,0,0|1,0,1]=4 5638 B16R0.221 C=CCCCCCCCCCOCC(O)CC 34a_100000038209_100011218378 [1,1,0,0,0,0|1,0,1]=4 5639 B16R0.221 C=CCCCCCCCCCOCC(O)CC 7a_100000038209_100011218378 [1,1,0,0,0,0|1,0,1]=4 5640 B16R0.221 C=CCCCCCCCCCSCC(O)CC 62a_100009814027_100011218378 [1,1,0,0,0,0|1,0,1]=4 5641 B16R0.221 C=CCCCCCCCCCSCC(O)CC 62a_100011218378_100009814027 [1,1,0,0,0,0|1,0,1]=4 5642 B16R0.221 C=CCCCCCCCCNCCC(C)CC 2230a_100020591266_100011933949 [1,1,0,0,0,0|1,0,1]=4 5643 B16R0.221 C=C[C@H](N)COCCCCCCCCCCC 34a_100016989147_100011215454 [1,1,0,0,0,0|1,0,1]=4 5644 B16R0.221 CCC(=O)CCCCCCCCCCCCO 1458a_100000210414_100009813331 [1,1,0,0,0,0|0,0,2]=4 5645 B16R0.221 CCC(C)CCCCCOCCCCCC=O 7a_200000035636_100000139337 [1,1,0,0,0,0|1,0,0]=3 5646 B16R0.221 CCC(C)CCCCCOCCCCCCO 7a_200000035636_100000766143 [1,1,0,0,0,0|1,0,1]=4 5647 B16R0.221 CCC(C)CCCOCCCCCCCCO 7a_100011216074_100000033203 [1,1,0,0,0,0|1,0,1]=4 5648 B16R0.221 CCC(C)CCNCCCCCCCCCO 2230a_100020591266_100009813782 [1,1,0,0,0,0|1,0,1]=4 5649 B16R0.221 CCC(C)CCOCCCCCCCCCO 7a_100011215188_100009813782 [1,1,0,0,0,0|1,0,1]=4 5650 B16R0.221 CCC(C)CNCCCCCCCCCCO 2230a_100000066964_100000748023 [1,1,0,0,0,0|1,0,1]=4 5651 B16R0.221 CCC(C)CNCCCCCCCCCCO 2230a_100020588543_100009813290 [1,1,0,0,0,0|1,0,1]=4 5652 B16R0.221 CCC(C)CNCCCCCCCCCCO 270004a_100000066964_100000243153 [1,1,0,0,0,0|1,0,1]=4 5653 B16R0.221 CCC(C)CNCCCCCCCCCCO 34a_100000066964_100000748023 [1,1,0,0,0,0|1,0,1]=4 5654 B16R0.221 CCC(C)COCCCCCCCCCCN 34a_100000066964_100000748023 [1,1,0,0,0,0|2,0,0]=4 5655 B16R0.221 CCC(C)CSCCCCCCCCCCO 62a_100000748023_200000033068 [1,1,0,0,0,0|1,0,1]=4 5656 B16R0.221 CCC(C)CSCCCCCCCCCCO 62a_100009813290_100000748023 [1,1,0,0,0,0|1,0,1]=4 5657 B16R0.221 CCC(C)NCCCCCCCCCCCO 2230a_100000209981_100009812471 [1,1,0,0,0,0|1,0,1]=4 5658 B16R0.221 CCC(C)OCCCCCCCCCCCO 7a_100000210228_100009812471 [1,1,0,0,0,0|1,0,1]=4 5659 B16R0.221 CCC(O)CNCCCCCCCCCCO 2230a_100000066964_100011218378 [1,1,0,0,0,0|1,0,1]=4 5660 B16R0.221 CCC(O)CNCCCCCCCCCCO 2230a_100011218483_100009813290 [1,1,0,0,0,0|1,0,1]=4 5661 B16R0.221 CCC(O)CNCCCCCCCCCCO 34a_100000066964_100011218378 [1,1,0,0,0,0|1,0,1]=4 5662 B16R0.221 CCC(O)COCCCCCCCCCCBr 34a_100009813290_100011218378 [1,1,0,0,0,0|2,0,0]=4 5663 B16R0.221 CCC(O)COCCCCCCCCCCBr 7a_100009813290_100011218378 [1,1,0,0,0,0|2,0,0]=4 5664 B16R0.221 CCC(O)COCCCCCCCCCCCl 34a_200000033068_100011218378 [1,1,0,0,0,0|2,0,0]=4 5665 B16R0.221 CCC(O)COCCCCCCCCCCCl 7a_200000033068_100011218378 [1,1,0,0,0,0|2,0,0]=4 5666 B16R0.221 CCC(O)COCCCCCCCCCCN 34a_100000066964_100011218378 [1,1,0,0,0,0|2,0,0]=4 5667 B16R0.221 CCC(O)CSCCCCCCCCCCO 62a_100009813290_100011218378 [1,1,0,0,0,0|1,0,1]=4 5668 B16R0.221 CCC(O)CSCCCCCCCCCCO 62a_100011218378_200000033068 [1,1,0,0,0,0|1,0,1]=4 5669 B16R0.221 CCCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000210684 [1,1,0,0,0,0|0,0,2]=4 5670 B16R0.221 CCCCCCCCCCCCNC(C)CO 2230a_100000210451_100012180447 [1,1,0,0,0,0|1,0,1]=4 5671 B16R0.221 CCCCCCCCCCCCNC(C)CO 34a_100000210451_100012180447 [1,1,0,0,0,0|1,0,1]=4 5672 B16R0.221 CCCCCCCCCCCCN[C@H](C)CF 270004a_100102880703_100011218549 [1,1,0,0,0,0|2,0,0]=4 5673 B16R0.221 CCCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011215052 [1,1,0,0,0,0|1,0,1]=4 5674 B16R0.221 CCCCCCCCCCCCN[C@H](C)CO 270004a_100000737577_100011218549 [1,1,0,0,0,0|1,0,1]=4 5675 B16R0.221 CCCCCCCCCCCCOC(C)CN 34a_100000210904_100000759014 [1,1,0,0,0,0|2,0,0]=4 5676 B16R0.221 CCCCCCCCCCCCOC(C)CO 34a_100000210810_100012180447 [1,1,0,0,0,0|1,0,1]=4 5677 B16R0.221 CCCCCCCCCCCCOC(C)CO 7a_100000210810_100012180447 [1,1,0,0,0,0|1,0,1]=4 5678 B16R0.221 CCCCCCCCCCCNCC(C)CO 34a_100000744482_100011215454 [1,1,0,0,0,0|1,0,1]=4 5679 B16R0.221 CCCCCCCCCCCNCC(O)CC 2230a_100011218483_100011215454 [1,1,0,0,0,0|1,0,1]=4 5680 B16R0.221 CCCCCCCCCCCNCC(O)CC 2230a_200011215754_100011218378 [1,1,0,0,0,0|1,0,1]=4 5681 B16R0.221 CCCCCCCCCCCNCC(O)CC 34a_200011215754_100011218378 [1,1,0,0,0,0|1,0,1]=4 5682 B16R0.221 CCCCCCCCCCCNCC(O)CO 2230a_200011215754_100011219619 [1,1,0,0,0,0|1,0,1]=4 5683 B16R0.221 CCCCCCCCCCCNCC(O)CO 34a_200011215754_100011219619 [1,1,0,0,0,0|1,0,1]=4 5684 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CO 2230a_200011215754_100000059175 [1,1,0,0,0,0|1,0,1]=4 5685 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CO 34a_200011215754_100000059175 [1,1,0,0,0,0|1,0,1]=4 5686 B16R0.221 CCCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215454 [1,1,0,0,0,0|1,0,1]=4 5687 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CF 2230a_200011215754_100015614560 [1,1,0,0,0,0|2,0,0]=4 5688 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CF 34a_200011215754_100015614560 [1,1,0,0,0,0|2,0,0]=4 5689 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CO 2230a_200011215754_100009815848 [1,1,0,0,0,0|1,0,1]=4 5690 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CO 34a_200011215754_100009815848 [1,1,0,0,0,0|1,0,1]=4 5691 B16R0.221 CCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215454 [1,1,0,0,0,0|1,0,1]=4 5692 B16R0.221 CCCCCCCCCCCOCC(C)CN 34a_100000744482_100011215454 [1,1,0,0,0,0|2,0,0]=4 5693 B16R0.221 CCCCCCCCCCCOCC(O)CC 34a_100000210809_100011218378 [1,1,0,0,0,0|1,0,1]=4 5694 B16R0.221 CCCCCCCCCCCOCC(O)CC 7a_100000210809_100011218378 [1,1,0,0,0,0|1,0,1]=4 5695 B16R0.221 CCCCCCCCCCCOCC(O)CO 34a_100000210809_100011219619 [1,1,0,0,0,0|1,0,1]=4 5696 B16R0.221 CCCCCCCCCCCOCC(O)CO 7a_100000210809_100011219619 [1,1,0,0,0,0|1,0,1]=4 5697 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CO 34a_100000210809_100000059175 [1,1,0,0,0,0|1,0,1]=4 5698 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CO 7a_100000210809_100000059175 [1,1,0,0,0,0|1,0,1]=4 5699 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CF 34a_100000210809_100015614560 [1,1,0,0,0,0|2,0,0]=4 5700 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CF 7a_100000210809_100015614560 [1,1,0,0,0,0|2,0,0]=4 5701 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CO 34a_100000210809_100009815848 [1,1,0,0,0,0|1,0,1]=4 5702 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CO 7a_100000210809_100009815848 [1,1,0,0,0,0|1,0,1]=4 5703 B16R0.221 CCCCCCCCCCCOC[C@H](F)CN 34a_100015665980_100011215454 [1,1,0,0,0,0|2,0,0]=4 5704 B16R0.221 CCCCCCCCCCCSCC(O)CO 62a_100011219619_100011215454 [1,1,0,0,0,0|1,0,1]=4 5705 B16R0.221 CCCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215454 [1,1,0,0,0,0|1,0,1]=4 5706 B16R0.221 CCCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100011215454 [1,1,0,0,0,0|2,0,0]=4 5707 B16R0.221 CCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215454 [1,1,0,0,0,0|1,0,1]=4 5708 B16R0.221 CCCCCCCCCCNCCC(C)CO 2230a_106354213184_100000210320 [1,1,0,0,0,0|1,0,1]=4 5709 B16R0.221 CCCCCCCCCCNCCC(C)CO 34a_106354213184_100000210320 [1,1,0,0,0,0|1,0,1]=4 5710 B16R0.221 CCCCCCCCCOCCC[C@@H](C)CN 34a_100160569302_100011214924 [1,1,0,0,0,0|2,0,0]=4 5711 B16R0.221 CCN(C)CCCCCCCCCCCCO 2230a_100000225621_100009813331 [1,1,0,0,0,0|1,0,1]=4 5712 B16R0.221 CCN(C)CCCCCCCCCCCCO 269982a_100000225621_100009813331 [1,1,0,0,0,0|1,0,1]=4 5713 B16R0.221 CC[C@H](C)CNCCCCCCCCCCO 2230a_100000066964_100009816398 [1,1,0,0,0,0|1,0,1]=4 5714 B16R0.221 CC[C@H](C)CNCCCCCCCCCCO 34a_100000066964_100009816398 [1,1,0,0,0,0|1,0,1]=4 5715 B16R0.221 CC[C@H](C)COCCCCCCCCCCN 34a_100000066964_100009816398 [1,1,0,0,0,0|2,0,0]=4 5716 B16R0.221 CC[C@H](C)COCCCCCCCCCCO 7a_100009816381_100009813290 [1,1,0,0,0,0|1,0,1]=4 5717 B16R0.221 CC[C@H](C)CSCCCCCCCCCCO 62a_100009813290_100009816398 [1,1,0,0,0,0|1,0,1]=4 5718 B16R0.221 CC[C@H](C)CSCCCCCCCCCCO 62a_100009816398_200000033068 [1,1,0,0,0,0|1,0,1]=4 5719 B16R0.274 C=C(F)CNCCCCCCCCCCCC 2230a_100000210451_100009893438 [1,1,0,0,0,0|1,0,1]=4 5720 B16R0.274 C=C(F)CNCCCCCCCCCCCC 34a_100000210451_100009893438 [1,1,0,0,0,0|1,0,1]=4 5721 B16R0.274 C=CCCCCCCCCCCNCC(C)C 2230a_100000210953_100011093070 [1,1,0,0,0,0|1,0,1]=4 5722 B16R0.274 C=CCCCCCCCCCCNCC(C)C 34a_100000210953_100011093070 [1,1,0,0,0,0|1,0,1]=4 5723 B16R0.274 C=CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011093070 [1,1,0,0,0,0|1,0,1]=4 5724 B16R0.274 C=CCCCCCCCCCCNCC(C)O 34a_100000210904_100011093070 [1,1,0,0,0,0|1,0,1]=4 5725 B16R0.274 C=CCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011093070 [1,1,0,0,0,0|1,0,1]=4 5726 B16R0.274 C=CCCCCCCCCCCSCC(C)O 62a_100011093070_100011218427 [1,1,0,0,0,0|1,0,1]=4 5727 B16R0.274 C=CCCCCCCCCCCSCC(C)O 62a_100011218427_100011093070 [1,1,0,0,0,0|1,0,1]=4 5728 B16R0.274 C=CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011093070 [1,1,0,0,0,0|1,0,1]=4 5729 B16R0.274 C=CCCCCCCCCCCSC[C@@H](C)O 62a_100011093070_100009817552 [1,1,0,0,0,0|1,0,1]=4 5730 B16R0.274 C=CCCCCCCCCCNCCC(C)C 2230a_100000081888_100000210312 [1,1,0,0,0,0|1,0,1]=4 5731 B16R0.274 C=CCCCCCCCCCNCCC(C)C 269862a_100000081888_100000185833 [1,1,0,0,0,0|1,0,1]=4 5732 B16R0.274 C=CCCCCCCCCCNCCC(C)C 34a_100000081888_100000210312 [1,1,0,0,0,0|1,0,1]=4 5733 B16R0.274 C=CCCCCCCCCCNCCC(C)O 2230a_100000081888_100012276601 [1,1,0,0,0,0|1,0,1]=4 5734 B16R0.274 C=CCCCCCCCCCNCCC(C)O 2230a_200000755665_100009814027 [1,1,0,0,0,0|1,0,1]=4 5735 B16R0.274 C=CCCCCCCCCCNCCC(C)O 34a_100000081888_100012276601 [1,1,0,0,0,0|1,0,1]=4 5736 B16R0.274 C=CCCCCCCCCCOCCC(C)O 34a_100000038209_100012276601 [1,1,0,0,0,0|1,0,1]=4 5737 B16R0.274 C=CCCCCCCCCCOCCC(C)O 7a_100000038209_100012276601 [1,1,0,0,0,0|1,0,1]=4 5738 B16R0.274 C=CCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100009814027 [1,1,0,0,0,0|1,0,1]=4 5739 B16R0.274 C=CCCCCCCCCCSCCC(C)O 62a_100009814027_100012276601 [1,1,0,0,0,0|1,0,1]=4 5740 B16R0.274 C=CCCCCCCCCCSCCC(C)O 62a_100012276601_100009814027 [1,1,0,0,0,0|1,0,1]=4 5741 B16R0.274 C=CCCCCCCCCNCCCC(C)C 2230a_200000737386_100011933949 [1,1,0,0,0,0|1,0,1]=4 5742 B16R0.274 C=CCCCCCCCCNCCCC(C)C 34a_200000737386_100011933949 [1,1,0,0,0,0|1,0,1]=4 5743 B16R0.274 C=CCCCCCCCCOCCCC(C)O 34a_100011215194_200000718107 [1,1,0,0,0,0|1,0,1]=4 5744 B16R0.274 C=CCCCCCCCCOCCCC(C)O 7a_100011215194_200000718107 [1,1,0,0,0,0|1,0,1]=4 5745 B16R0.274 C=CCCCCCCCCSCCCC(C)O 62a_100011933949_200000718107 [1,1,0,0,0,0|1,0,1]=4 5746 B16R0.274 C=CCCCCCCCCSCCCC(C)O 62a_200000718107_100011933949 [1,1,0,0,0,0|1,0,1]=4 5747 B16R0.274 C=CCCCCCCNCCCCCC(C)C 2230a_100011290863_100011215473 [1,1,0,0,0,0|1,0,1]=4 5748 B16R0.274 C=CCCCCCCNCCCCCC(C)C 34a_100011290863_100011215473 [1,1,0,0,0,0|1,0,1]=4 5749 B16R0.274 C=CCCCCCNCCCCCCC(C)C 2230a_100000211014_100000700193 [1,1,0,0,0,0|1,0,1]=4 5750 B16R0.274 C=CCCCCCNCCCCCCC(C)C 34a_100000211014_100000700193 [1,1,0,0,0,0|1,0,1]=4 5751 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [1,1,0,0,0,0|1,0,0]=3 5752 B16R0.274 CC(=O)CCCCNCCCCCCCCO 34a_102515433106_100009817362 [1,1,0,0,0,0|2,0,0]=4 5753 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100009817362 [1,1,0,0,0,0|2,0,0]=4 5754 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000735457 [1,1,0,0,0,0|2,0,0]=4 5755 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100009817362 [1,1,0,0,0,0|2,0,0]=4 5756 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000735457 [1,1,0,0,0,0|2,0,0]=4 5757 B16R0.274 CC(=O)CCCCOCCCCCCCCN 34a_102515433106_100009817362 [1,1,0,0,0,0|2,0,0]=4 5758 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000735457 [1,1,0,0,0,0|2,0,0]=4 5759 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000735457_100000033203 [1,1,0,0,0,0|2,0,0]=4 5760 B16R0.274 CC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000685027 [1,1,0,0,0,0|2,0,0]=4 5761 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000685027 [1,1,0,0,0,0|2,0,0]=4 5762 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011215641 [1,1,0,0,0,0|2,0,0]=4 5763 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000685027 [1,1,0,0,0,0|2,0,0]=4 5764 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011215641 [1,1,0,0,0,0|2,0,0]=4 5765 B16R0.274 CC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000685027 [1,1,0,0,0,0|2,0,0]=4 5766 B16R0.274 CC(=O)CCCOCCCCCCCCCO 34a_100000759063_100009813782 [1,1,0,0,0,0|2,0,0]=4 5767 B16R0.274 CC(=O)CCCOCCCCCCCCCO 7a_100000759063_100009813782 [1,1,0,0,0,0|2,0,0]=4 5768 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011215641 [1,1,0,0,0,0|2,0,0]=4 5769 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100011215641_100009813782 [1,1,0,0,0,0|2,0,0]=4 5770 B16R0.274 CC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000053229 [1,1,0,0,0,0|2,0,0]=4 5771 B16R0.274 CC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000053229 [1,1,0,0,0,0|2,0,0]=4 5772 B16R0.274 CC(=O)CCOCCCCCCCCCCO 34a_100000759926_100009813290 [1,1,0,0,0,0|2,0,0]=4 5773 B16R0.274 CC(=O)CCOCCCCCCCCCCO 7a_100000759926_100009813290 [1,1,0,0,0,0|2,0,0]=4 5774 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100000053229_200000033068 [1,1,0,0,0,0|2,0,0]=4 5775 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000053229 [1,1,0,0,0,0|2,0,0]=4 5776 B16R0.274 CC(=O)COCCCCCCCCCCCO 34a_100000211253_100009812471 [1,1,0,0,0,0|2,0,0]=4 5777 B16R0.274 CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100015343762 [1,1,0,0,0,0|2,0,0]=4 5778 B16R0.274 CC(Br)CCOCCCCCCCCCCO 34a_100009893172_100009813290 [1,1,0,0,0,0|1,0,1]=4 5779 B16R0.274 CC(Br)COCCCCCCCCCCCO 34a_100012180447_100009812471 [1,1,0,0,0,0|1,0,1]=4 5780 B16R0.274 CC(C)CCCCCCCOCCCCC=O 7a_200000210741_100000139335 [1,1,0,0,0,0|1,0,0]=3 5781 B16R0.274 CC(C)CCCCCCCOCCCCCO 34a_200000210741_100000746330 [1,1,0,0,0,0|1,0,1]=4 5782 B16R0.274 CC(C)CCCCCCCOCCCCCO 7a_200000210741_100000746330 [1,1,0,0,0,0|1,0,1]=4 5783 B16R0.274 CC(C)CCCCCCNCCCCCC=O 2230a_100000211014_100000139337 [1,1,0,0,0,0|1,0,0]=3 5784 B16R0.274 CC(C)CCCCCCNCCCCCCF 2230a_100000211014_100015922095 [1,1,0,0,0,0|2,0,0]=4 5785 B16R0.274 CC(C)CCCCCCNCCCCCCF 34a_100000211014_100015922095 [1,1,0,0,0,0|2,0,0]=4 5786 B16R0.274 CC(C)CCCCCCNCCCCCCO 2230a_100000211014_100000766143 [1,1,0,0,0,0|1,0,1]=4 5787 B16R0.274 CC(C)CCCCCCNCCCCCCO 34a_100000211014_100000766143 [1,1,0,0,0,0|1,0,1]=4 5788 B16R0.274 CC(C)CCCCCNCCCCCCCO 2230a_100011290863_100000760002 [1,1,0,0,0,0|1,0,1]=4 5789 B16R0.274 CC(C)CCCCCNCCCCCCCO 2230a_100011996573_100000210682 [1,1,0,0,0,0|1,0,1]=4 5790 B16R0.274 CC(C)CCCCCNCCCCCCCO 34a_100011290863_100000760002 [1,1,0,0,0,0|1,0,1]=4 5791 B16R0.274 CC(C)CCCCCNCCCCCCCO 34a_100011996573_100000210682 [1,1,0,0,0,0|1,0,1]=4 5792 B16R0.274 CC(C)CCCCCOCCCCCCCN 34a_100011996573_100000210682 [1,1,0,0,0,0|2,0,0]=4 5793 B16R0.274 CC(C)CCCCCOCCCCCCCO 34a_100011995859_100000760002 [1,1,0,0,0,0|1,0,1]=4 5794 B16R0.274 CC(C)CCCCCOCCCCCCCO 7a_100011995859_100000760002 [1,1,0,0,0,0|1,0,1]=4 5795 B16R0.274 CC(C)CCCCCSCCCCCCCO 62a_100000210682_100000760002 [1,1,0,0,0,0|1,0,1]=4 5796 B16R0.274 CC(C)CCCCCSCCCCCCCO 62a_100000760002_100000210682 [1,1,0,0,0,0|1,0,1]=4 5797 B16R0.274 CC(C)CCCCNCCCCCCCCO 2230a_102515433106_100011216152 [1,1,0,0,0,0|1,0,1]=4 5798 B16R0.274 CC(C)CCCCNCCCCCCCCO 34a_102515433106_100011216152 [1,1,0,0,0,0|1,0,1]=4 5799 B16R0.274 CC(C)CCCCOCCCCCCCCN 34a_102515433106_100011216152 [1,1,0,0,0,0|2,0,0]=4 5800 B16R0.274 CC(C)CCCCOCCCCCCCCO 34a_100011214890_100000033203 [1,1,0,0,0,0|1,0,1]=4 5801 B16R0.274 CC(C)CCCCOCCCCCCCCO 7a_100011214890_100000033203 [1,1,0,0,0,0|1,0,1]=4 5802 B16R0.274 CC(C)CCCCSCCCCCCCCO 62a_100000033203_100011216152 [1,1,0,0,0,0|1,0,1]=4 5803 B16R0.274 CC(C)CCCCSCCCCCCCCO 62a_100011216152_100000033203 [1,1,0,0,0,0|1,0,1]=4 5804 B16R0.274 CC(C)CCCNCCCCCCCCCO 2230a_100000078944_100011214892 [1,1,0,0,0,0|1,0,1]=4 5805 B16R0.274 CC(C)CCCNCCCCCCCCCO 2230a_200000737386_100009813782 [1,1,0,0,0,0|1,0,1]=4 5806 B16R0.274 CC(C)CCCNCCCCCCCCCO 34a_100000078944_100011214892 [1,1,0,0,0,0|1,0,1]=4 5807 B16R0.274 CC(C)CCCNCCCCCCCCCO 34a_200000737386_100009813782 [1,1,0,0,0,0|1,0,1]=4 5808 B16R0.274 CC(C)CCCOCCCCCCCCCN 34a_100000078944_100011214892 [1,1,0,0,0,0|2,0,0]=4 5809 B16R0.274 CC(C)CCCOCCCCCCCCCO 34a_100000210774_100009813782 [1,1,0,0,0,0|1,0,1]=4 5810 B16R0.274 CC(C)CCCOCCCCCCCCCO 7a_100000210774_100009813782 [1,1,0,0,0,0|1,0,1]=4 5811 B16R0.274 CC(C)CCCSCCCCCCCCCO 62a_100009813782_100011214892 [1,1,0,0,0,0|1,0,1]=4 5812 B16R0.274 CC(C)CCCSCCCCCCCCCO 62a_100011214892_100009813782 [1,1,0,0,0,0|1,0,1]=4 5813 B16R0.274 CC(C)CCNCCCCCCCCCCO 2230a_100000066964_100000210312 [1,1,0,0,0,0|1,0,1]=4 5814 B16R0.274 CC(C)CCNCCCCCCCCCCO 269862a_100000066964_100000185833 [1,1,0,0,0,0|1,0,1]=4 5815 B16R0.274 CC(C)CCNCCCCCCCCCCO 34a_100000066964_100000210312 [1,1,0,0,0,0|1,0,1]=4 5816 B16R0.274 CC(C)CCOCCCCCCCCCCN 34a_100000066964_100000210312 [1,1,0,0,0,0|2,0,0]=4 5817 B16R0.274 CC(C)CCOCCCCCCCCCCO 34a_100000210254_100009813290 [1,1,0,0,0,0|1,0,1]=4 5818 B16R0.274 CC(C)CCOCCCCCCCCCCO 7a_100000210254_100009813290 [1,1,0,0,0,0|1,0,1]=4 5819 B16R0.274 CC(C)CCSCCCCCCCCCCO 62a_100000210312_200000033068 [1,1,0,0,0,0|1,0,1]=4 5820 B16R0.274 CC(C)CCSCCCCCCCCCCO 62a_100009813290_100000210312 [1,1,0,0,0,0|1,0,1]=4 5821 B16R0.274 CC(C)CNCCCCCCCCCCCO 2230a_100000210953_100009812471 [1,1,0,0,0,0|1,0,1]=4 5822 B16R0.274 CC(C)CNCCCCCCCCCCCO 34a_100000210953_100009812471 [1,1,0,0,0,0|1,0,1]=4 5823 B16R0.274 CC(C)COCCCCCCCCCCCO 34a_100000210257_100009812471 [1,1,0,0,0,0|1,0,1]=4 5824 B16R0.274 CC(C)CSCCCCCCCCCCCO 62a_100009812471_100000210760 [1,1,0,0,0,0|1,0,1]=4 5825 B16R0.274 CC(C)NCCCCCCCCCCCCO 2230a_100000066677_100000210206 [1,1,0,0,0,0|1,0,1]=4 5826 B16R0.274 CC(C)NCCCCCCCCCCCCO 2230a_100138425928_100009813331 [1,1,0,0,0,0|1,0,1]=4 5827 B16R0.274 CC(C)NCCCCCCCCCCCCO 34a_100000066677_100000210206 [1,1,0,0,0,0|1,0,1]=4 5828 B16R0.274 CC(C)NCCCCCCCCCCCCO 34a_100138425928_100009813331 [1,1,0,0,0,0|1,0,1]=4 5829 B16R0.274 CC(C)OCCCCCCCCCCCCN 34a_100000066677_100000210206 [1,1,0,0,0,0|2,0,0]=4 5830 B16R0.274 CC(C)OCCCCCCCCCCCCO 34a_100000212225_100009813331 [1,1,0,0,0,0|1,0,1]=4 5831 B16R0.274 CC(F)COCCCCCCCCCCCO 34a_100015925927_100009812471 [1,1,0,0,0,0|1,0,1]=4 5832 B16R0.274 CC(O)CCCNCCCCCCCCCO 2230a_100000078944_200000718107 [1,1,0,0,0,0|1,0,1]=4 5833 B16R0.274 CC(O)CCCNCCCCCCCCCO 34a_100000078944_200000718107 [1,1,0,0,0,0|1,0,1]=4 5834 B16R0.274 CC(O)CCCOCCCCCCCCCBr 34a_100009813782_200000718107 [1,1,0,0,0,0|2,0,0]=4 5835 B16R0.274 CC(O)CCCOCCCCCCCCCBr 7a_100009813782_200000718107 [1,1,0,0,0,0|2,0,0]=4 5836 B16R0.274 CC(O)CCCOCCCCCCCCCCl 34a_100009868337_200000718107 [1,1,0,0,0,0|2,0,0]=4 5837 B16R0.274 CC(O)CCCOCCCCCCCCCCl 7a_100009868337_200000718107 [1,1,0,0,0,0|2,0,0]=4 5838 B16R0.274 CC(O)CCCOCCCCCCCCCN 34a_100000078944_200000718107 [1,1,0,0,0,0|2,0,0]=4 5839 B16R0.274 CC(O)CCCSCCCCCCCCCO 62a_100009813782_200000718107 [1,1,0,0,0,0|1,0,1]=4 5840 B16R0.274 CC(O)CCCSCCCCCCCCCO 62a_200000718107_100009813782 [1,1,0,0,0,0|1,0,1]=4 5841 B16R0.274 CC(O)CCNCCCCCCCCCCO 2230a_100000066964_100012276601 [1,1,0,0,0,0|1,0,1]=4 5842 B16R0.274 CC(O)CCNCCCCCCCCCCO 2230a_200000755665_100009813290 [1,1,0,0,0,0|1,0,1]=4 5843 B16R0.274 CC(O)CCNCCCCCCCCCCO 34a_100000066964_100012276601 [1,1,0,0,0,0|1,0,1]=4 5844 B16R0.274 CC(O)CCOCCCCCCCCCCBr 34a_100009813290_100012276601 [1,1,0,0,0,0|2,0,0]=4 5845 B16R0.274 CC(O)CCOCCCCCCCCCCBr 7a_100009813290_100012276601 [1,1,0,0,0,0|2,0,0]=4 5846 B16R0.274 CC(O)CCOCCCCCCCCCCCl 34a_200000033068_100012276601 [1,1,0,0,0,0|2,0,0]=4 5847 B16R0.274 CC(O)CCOCCCCCCCCCCCl 7a_200000033068_100012276601 [1,1,0,0,0,0|2,0,0]=4 5848 B16R0.274 CC(O)CCOCCCCCCCCCCN 34a_100000066964_100012276601 [1,1,0,0,0,0|2,0,0]=4 5849 B16R0.274 CC(O)CCSCCCCCCCCCCO 62a_100009813290_100012276601 [1,1,0,0,0,0|1,0,1]=4 5850 B16R0.274 CC(O)CCSCCCCCCCCCCO 62a_100012276601_200000033068 [1,1,0,0,0,0|1,0,1]=4 5851 B16R0.274 CC(O)CNCCCCCCCCCCCO 2230a_100000210904_100009812471 [1,1,0,0,0,0|1,0,1]=4 5852 B16R0.274 CC(O)CNCCCCCCCCCCCO 34a_100000210904_100009812471 [1,1,0,0,0,0|1,0,1]=4 5853 B16R0.274 CC(O)COCCCCCCCCCCCBr 34a_100009812471_100011218427 [1,1,0,0,0,0|2,0,0]=4 5854 B16R0.274 CC(O)COCCCCCCCCCCCBr 7a_100009812471_100011218427 [1,1,0,0,0,0|2,0,0]=4 5855 B16R0.274 CC(O)CSCCCCCCCCCCCO 62a_100009812471_100011218427 [1,1,0,0,0,0|1,0,1]=4 5856 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [1,1,0,0,0,0|1,0,0]=3 5857 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [1,1,0,0,0,0|1,0,0]=3 5858 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [1,1,0,0,0,0|1,0,0]=3 5859 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [1,1,0,0,0,0|1,0,0]=3 5860 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [1,1,0,0,0,0|1,0,0]=3 5861 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [1,1,0,0,0,0|1,0,0]=3 5862 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [1,1,0,0,0,0|1,0,0]=3 5863 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [1,1,0,0,0,0|1,0,0]=3 5864 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [1,1,0,0,0,0|1,0,0]=3 5865 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210451_100011218427 [1,1,0,0,0,0|1,0,1]=4 5866 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215052 [1,1,0,0,0,0|1,0,1]=4 5867 B16R0.274 CCCCCCCCCCCCNCC(C)O 270004a_100000210904_100011218549 [1,1,0,0,0,0|1,0,1]=4 5868 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210451_100011218427 [1,1,0,0,0,0|1,0,1]=4 5869 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210904_100000759014 [1,1,0,0,0,0|1,0,1]=4 5870 B16R0.274 CCCCCCCCCCCCNCC(F)F 2230a_100000210451_100011934356 [1,1,0,0,0,0|2,0,0]=4 5871 B16R0.274 CCCCCCCCCCCCNCC(F)F 270004a_100000765723_100011218549 [1,1,0,0,0,0|2,0,0]=4 5872 B16R0.274 CCCCCCCCCCCCNCC(F)F 34a_100000210451_100011934356 [1,1,0,0,0,0|2,0,0]=4 5873 B16R0.274 CCCCCCCCCCCCNCC(F)F 34a_100000765723_100000759014 [1,1,0,0,0,0|2,0,0]=4 5874 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 2230a_100000210451_100009817552 [1,1,0,0,0,0|1,0,1]=4 5875 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 34a_100000210451_100009817552 [1,1,0,0,0,0|1,0,1]=4 5876 B16R0.274 CCCCCCCCCCCCNC[N+](=O)[O-] 34a_100000210451_100000761209 [1,1,0,0,0,0|2,0,0]=4 5877 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [1,1,0,0,0,0|1,0,0]=3 5878 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [1,1,0,0,0,0|1,0,0]=3 5879 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [1,1,0,0,0,0|1,0,0]=3 5880 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [1,1,0,0,0,0|1,0,0]=3 5881 B16R0.274 CCCCCCCCCCCCOCC(C)O 34a_100000210810_100011218427 [1,1,0,0,0,0|1,0,1]=4 5882 B16R0.274 CCCCCCCCCCCCOCC(C)O 7a_100000210810_100011218427 [1,1,0,0,0,0|1,0,1]=4 5883 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000759014 [1,1,0,0,0,0|1,0,1]=4 5884 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 34a_100000210810_100009817552 [1,1,0,0,0,0|1,0,1]=4 5885 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 7a_100000210810_100009817552 [1,1,0,0,0,0|1,0,1]=4 5886 B16R0.274 CCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210810_100000761209 [1,1,0,0,0,0|2,0,0]=4 5887 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [1,1,0,0,0,0|1,0,0]=3 5888 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [1,1,0,0,0,0|1,0,0]=3 5889 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [1,1,0,0,0,0|1,0,0]=3 5890 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [1,1,0,0,0,0|1,0,0]=3 5891 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215454 [1,1,0,0,0,0|1,0,1]=4 5892 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200011215754_100012276601 [1,1,0,0,0,0|1,0,1]=4 5893 B16R0.274 CCCCCCCCCCCNCCC(C)O 34a_200011215754_100012276601 [1,1,0,0,0,0|1,0,1]=4 5894 B16R0.274 CCCCCCCCCCCNCOC(=O)C 34a_200011215754_100009813279 [1,1,0,0,0,0|2,0,0]=4 5895 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [1,1,0,0,0,0|2,0,0]=4 5896 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [1,1,0,0,0,0|1,0,0]=3 5897 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [1,1,0,0,0,0|1,0,0]=3 5898 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [1,1,0,0,0,0|1,0,0]=3 5899 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [1,1,0,0,0,0|1,0,0]=3 5900 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [1,1,0,0,0,0|1,0,0]=3 5901 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [1,1,0,0,0,0|1,0,0]=3 5902 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [1,1,0,0,0,0|1,0,0]=3 5903 B16R0.274 CCCCCCCCCCCOCCC(C)O 34a_100000210809_100012276601 [1,1,0,0,0,0|1,0,1]=4 5904 B16R0.274 CCCCCCCCCCCOCCC(C)O 7a_100000210809_100012276601 [1,1,0,0,0,0|1,0,1]=4 5905 B16R0.274 CCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215454 [1,1,0,0,0,0|1,0,1]=4 5906 B16R0.274 CCCCCCCCCCCOCOC(=O)C 34a_100000210809_100009813279 [1,1,0,0,0,0|2,0,0]=4 5907 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [1,1,0,0,0,0|1,0,0]=3 5908 B16R0.274 CCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011215454 [1,1,0,0,0,0|2,0,0]=4 5909 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [1,1,0,0,0,0|1,0,0]=3 5910 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [1,1,0,0,0,0|1,0,0]=3 5911 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [1,1,0,0,0,0|1,0,0]=3 5912 B16R0.274 CCCCCCCCCCNCCCC(C)O 2230a_100000684558_200000718107 [1,1,0,0,0,0|1,0,1]=4 5913 B16R0.274 CCCCCCCCCCNCCCC(C)O 34a_100000684558_200000718107 [1,1,0,0,0,0|1,0,1]=4 5914 B16R0.274 CCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210320 [1,1,0,0,0,0|2,0,0]=4 5915 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210320 [1,1,0,0,0,0|2,0,0]=4 5916 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000684558_100000189650 [1,1,0,0,0,0|2,0,0]=4 5917 B16R0.274 CCCCCCCCCCNCCNC(=O)N 2230a_100000684558_200000034859 [1,1,0,0,0,0|2,0,0]=4 5918 B16R0.274 CCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000210320 [1,1,0,0,0,0|2,0,0]=4 5919 B16R0.274 CCCCCCCCCCNCCOC(=O)C 34a_100000684558_100009814007 [1,1,0,0,0,0|2,0,0]=4 5920 B16R0.274 CCCCCCCCCCNCCOC(=O)N 34a_100000684558_200011214921 [1,1,0,0,0,0|2,0,0]=4 5921 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [1,1,0,0,0,0|1,0,0]=3 5922 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [1,1,0,0,0,0|1,0,0]=3 5923 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [1,1,0,0,0,0|1,0,0]=3 5924 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [1,1,0,0,0,0|1,0,0]=3 5925 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [1,1,0,0,0,0|1,0,0]=3 5926 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [1,1,0,0,0,0|1,0,0]=3 5927 B16R0.274 CCCCCCCCCCOCCCC(C)O 34a_100000210711_200000718107 [1,1,0,0,0,0|1,0,1]=4 5928 B16R0.274 CCCCCCCCCCOCCCC(C)O 7a_100000210711_200000718107 [1,1,0,0,0,0|1,0,1]=4 5929 B16R0.274 CCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210320 [1,1,0,0,0,0|2,0,0]=4 5930 B16R0.274 CCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000210320 [1,1,0,0,0,0|2,0,0]=4 5931 B16R0.274 CCCCCCCCCCOCCNC(=O)C 7a_100000210711_100000189650 [1,1,0,0,0,0|2,0,0]=4 5932 B16R0.274 CCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000210320 [1,1,0,0,0,0|2,0,0]=4 5933 B16R0.274 CCCCCCCCCCOCCNC(=O)N 7a_100000210711_200000034859 [1,1,0,0,0,0|2,0,0]=4 5934 B16R0.274 CCCCCCCCCCOCCOC(=O)C 34a_100000210711_100009814007 [1,1,0,0,0,0|2,0,0]=4 5935 B16R0.274 CCCCCCCCCCOCCOC(=O)C 7a_100000210711_100009814007 [1,1,0,0,0,0|2,0,0]=4 5936 B16R0.274 CCCCCCCCCCOCCOC(=O)N 34a_100000210711_200011214921 [1,1,0,0,0,0|2,0,0]=4 5937 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000210711_200011214921 [1,1,0,0,0,0|2,0,0]=4 5938 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210320 [1,1,0,0,0,0|2,0,0]=4 5939 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [1,1,0,0,0,0|1,0,0]=3 5940 B16R0.274 CCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210320 [1,1,0,0,0,0|2,0,0]=4 5941 B16R0.274 CCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210320 [1,1,0,0,0,0|2,0,0]=4 5942 B16R0.274 CCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210320 [1,1,0,0,0,0|2,0,0]=4 5943 B16R0.274 CCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210320 [1,1,0,0,0,0|2,0,0]=4 5944 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [1,1,0,0,0,0|1,0,0]=3 5945 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [1,1,0,0,0,0|1,0,0]=3 5946 B16R0.274 CCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011214924 [1,1,0,0,0,0|2,0,0]=4 5947 B16R0.274 CCCCCCCCCNCCCOC(=O)C 34a_100000212291_100000042594 [1,1,0,0,0,0|2,0,0]=4 5948 B16R0.274 CCCCCCCCCNCCCSC(=O)C 2230a_100000212291_100000038929 [1,1,0,0,0,0|2,0,0]=4 5949 B16R0.274 CCCCCCCCCNCCCSC(=O)C 34a_100000212291_100000038929 [1,1,0,0,0,0|2,0,0]=4 5950 B16R0.274 CCCCCCCCCNCCOCC(=O)N 2230a_100000212291_100000076697 [1,1,0,0,0,0|2,0,0]=4 5951 B16R0.274 CCCCCCCCCNCCOCC(=O)N 34a_100000212291_100000076697 [1,1,0,0,0,0|2,0,0]=4 5952 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [1,1,0,0,0,0|2,0,0]=4 5953 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [1,1,0,0,0,0|1,0,0]=3 5954 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [1,1,0,0,0,0|1,0,0]=3 5955 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [1,1,0,0,0,0|1,0,0]=3 5956 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [1,1,0,0,0,0|1,0,0]=3 5957 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011214924 [1,1,0,0,0,0|2,0,0]=4 5958 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210328 [1,1,0,0,0,0|2,0,0]=4 5959 B16R0.274 CCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011214924 [1,1,0,0,0,0|2,0,0]=4 5960 B16R0.274 CCCCCCCCCOCCCOC(=O)C 34a_100000210712_100000042594 [1,1,0,0,0,0|2,0,0]=4 5961 B16R0.274 CCCCCCCCCOCCCOC(=O)C 7a_100000210712_100000042594 [1,1,0,0,0,0|2,0,0]=4 5962 B16R0.274 CCCCCCCCCOCCCSC(=O)C 34a_100000210712_100000038929 [1,1,0,0,0,0|2,0,0]=4 5963 B16R0.274 CCCCCCCCCOCCCSC(=O)C 7a_100000210712_100000038929 [1,1,0,0,0,0|2,0,0]=4 5964 B16R0.274 CCCCCCCCCOCCOCC(=O)N 34a_100000210712_100000076697 [1,1,0,0,0,0|2,0,0]=4 5965 B16R0.274 CCCCCCCCCOCCOCC(=O)N 7a_100000210712_100000076697 [1,1,0,0,0,0|2,0,0]=4 5966 B16R0.274 CCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210670 [1,1,0,0,0,0|2,0,0]=4 5967 B16R0.274 CCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210670 [1,1,0,0,0,0|2,0,0]=4 5968 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [1,1,0,0,0,0|1,0,0]=3 5969 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [1,1,0,0,0,0|1,0,0]=3 5970 B16R0.274 CCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210759 [1,1,0,0,0,0|2,0,0]=4 5971 B16R0.274 CCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210759 [1,1,0,0,0,0|2,0,0]=4 5972 B16R0.274 CCCCCCCCNCCCCOC(=O)C 34a_100000229939_100000033659 [1,1,0,0,0,0|2,0,0]=4 5973 B16R0.274 CCCCCCCCNCCCCSC(=O)C 2230a_100000229939_200010402107 [1,1,0,0,0,0|2,0,0]=4 5974 B16R0.274 CCCCCCCCNCCCCSC(=O)C 34a_100000229939_200010402107 [1,1,0,0,0,0|2,0,0]=4 5975 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [1,1,0,0,0,0|1,0,0]=3 5976 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [1,1,0,0,0,0|1,0,0]=3 5977 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [1,1,0,0,0,0|1,0,0]=3 5978 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [1,1,0,0,0,0|1,0,0]=3 5979 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [1,1,0,0,0,0|1,0,0]=3 5980 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210759 [1,1,0,0,0,0|2,0,0]=4 5981 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000210232_100000033659 [1,1,0,0,0,0|2,0,0]=4 5982 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210759 [1,1,0,0,0,0|2,0,0]=4 5983 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000210232_100000033659 [1,1,0,0,0,0|2,0,0]=4 5984 B16R0.274 CCCCCCCCOCCCCSC(=O)C 34a_100000210232_200010402107 [1,1,0,0,0,0|2,0,0]=4 5985 B16R0.274 CCCCCCCCOCCCCSC(=O)C 7a_100000210232_200010402107 [1,1,0,0,0,0|2,0,0]=4 5986 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [1,1,0,0,0,0|1,0,0]=3 5987 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [1,1,0,0,0,0|1,0,0]=3 5988 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210317 [1,1,0,0,0,0|2,0,0]=4 5989 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000210759_100000033659 [1,1,0,0,0,0|2,0,0]=4 5990 B16R0.274 CCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210681 [1,1,0,0,0,0|2,0,0]=4 5991 B16R0.274 CCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210614 [1,1,0,0,0,0|2,0,0]=4 5992 B16R0.274 CCCCCCCNCCCCCOC(=O)C 2230a_100000229938_100009813381 [1,1,0,0,0,0|2,0,0]=4 5993 B16R0.274 CCCCCCCOCCCCCOC(=O)C 34a_100000210272_100000033007 [1,1,0,0,0,0|2,0,0]=4 5994 B16R0.274 CCCCCCCOCCCCCOC(=O)C 7a_100000210272_100000033007 [1,1,0,0,0,0|2,0,0]=4 5995 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210316 [1,1,0,0,0,0|2,0,0]=4 5996 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000210614_100000033007 [1,1,0,0,0,0|2,0,0]=4 5997 B16R0.274 CCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210314 [1,1,0,0,0,0|2,0,0]=4 5998 B16R0.274 CCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210314 [1,1,0,0,0,0|2,0,0]=4 5999 B16R0.274 CCCCCCOCCOCCCCC(=O)C 34a_100000691444_100009817362 [1,1,0,0,0,0|2,0,0]=4 6000 B16R0.274 CCCCCCOCCOCCCCC(=O)C 7a_100000691444_100000735457 [1,1,0,0,0,0|2,0,0]=4 6001 B16R0.274 CCCCCNCCOCCCCCC(=O)N 34a_100000224656_100009817443 [1,1,0,0,0,0|2,0,0]=4 6002 B16R0.274 CCCCCOCCOCCCCCC(=O)N 34a_100011215259_100009817443 [1,1,0,0,0,0|2,0,0]=4 6003 B16R0.274 CCCCCOCCOCCCCCC(=O)N 7a_100011215259_100009817443 [1,1,0,0,0,0|2,0,0]=4 6004 B16R0.274 CCCCNCCCCOCCCCC(=O)C 34a_200011216965_100009817362 [1,1,0,0,0,0|2,0,0]=4 6005 B16R0.274 CCCCOCCCCOCCCCC(=O)C 34a_200000760531_100009817362 [1,1,0,0,0,0|2,0,0]=4 6006 B16R0.274 CCCCOCCCCOCCCCC(=O)C 7a_200000760531_100000735457 [1,1,0,0,0,0|2,0,0]=4 6007 B16R0.274 CCCCOCCCNCCCCCC(=O)N 2230a_200000211371_100009817443 [1,1,0,0,0,0|2,0,0]=4 6008 B16R0.274 CCCCOCCCNCCCCCC(=O)N 34a_200000211371_100009817443 [1,1,0,0,0,0|2,0,0]=4 6009 B16R0.274 CCCCOCCCOCCCCCC(=O)N 34a_200011215613_100009817443 [1,1,0,0,0,0|2,0,0]=4 6010 B16R0.274 CCCCOCCCOCCCCCC(=O)N 7a_200011215613_100009817443 [1,1,0,0,0,0|2,0,0]=4 6011 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [1,1,0,0,0,0|1,0,0]=3 6012 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [1,1,0,0,0,0|1,0,0]=3 6013 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [1,1,0,0,0,0|1,0,0]=3 6014 B16R0.274 CCOCCCCCCCCCOCC(=O)N 34a_100009875440_100000187820 [1,1,0,0,0,0|2,0,0]=4 6015 B16R0.274 CCOCCCCCCCCCOCC(=O)N 7a_100009875440_100000187820 [1,1,0,0,0,0|2,0,0]=4 6016 B16R0.274 CCOCCCCCCCCCOCC(=O)[O-] 34a_100009875440_100020667443 [1,1,0,0,0,0|2,0,0]=4 6017 B16R0.274 CN(C)CCCCCCCCCCCCCO 2230a_100102631434_100009812470 [1,1,0,0,0,0|1,0,1]=4 6018 B16R0.274 CN(C)CCCCCCCCCCCCCO 269982a_100102631434_100009812470 [1,1,0,0,0,0|1,0,1]=4 6019 B16R0.274 CNCCCCCCCCCCCSC(=O)C 2230a_106832991635_100010140907 [1,1,0,0,0,0|2,0,0]=4 6020 B16R0.274 CNCCCCCCCCCCCSC(=O)C 34a_100102657272_100010140907 [1,1,0,0,0,0|2,0,0]=4 6021 B16R0.274 CNCCCCCCCCCCCSC(=O)C 7a_106832991635_100010140907 [1,1,0,0,0,0|2,0,0]=4 6022 B16R0.274 COCCCCCCCCCCCSC(=O)C 34a_100138415774_100010140907 [1,1,0,0,0,0|2,0,0]=4 6023 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_100000123541_100011998445 [1,1,0,0,0,0|2,0,0]=4 6024 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_200012092642_100009817443 [1,1,0,0,0,0|2,0,0]=4 6025 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_100000123541_100011998445 [1,1,0,0,0,0|2,0,0]=4 6026 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_200012092642_100009817443 [1,1,0,0,0,0|2,0,0]=4 6027 B16R0.274 COCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011998445 [1,1,0,0,0,0|2,0,0]=4 6028 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100009817443_100011998445 [1,1,0,0,0,0|2,0,0]=4 6029 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100011998445_100009817443 [1,1,0,0,0,0|2,0,0]=4 6030 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_100000766300_200010167045 [1,1,0,0,0,0|2,0,0]=4 6031 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_200010167045_100000766300 [1,1,0,0,0,0|2,0,0]=4 6032 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_100011218213_200010167045 [1,1,0,0,0,0|2,0,0]=4 6033 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_200010167045_100011218213 [1,1,0,0,0,0|2,0,0]=4 6034 B16R0.274 C[C@@H](Cl)COCCCCCCCCCCCO 34a_100016084084_100009812471 [1,1,0,0,0,0|1,0,1]=4 6035 B16R0.274 C[C@@H](N)CCOCCCCCCCCCCO 34a_100000706166_100009813290 [1,1,0,0,0,0|1,0,1]=4 6036 B16R0.274 C[C@@H](N)COCCCCCCCCCCCO 34a_100000737577_100009812471 [1,1,0,0,0,0|1,0,1]=4 6037 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 34a_100009812471_100009817552 [1,1,0,0,0,0|2,0,0]=4 6038 B16R0.274 C[C@@H](O)COCCCCCCCCCCCBr 7a_100009812471_100009817552 [1,1,0,0,0,0|2,0,0]=4 6039 B16R0.274 C[C@@H](O)CSCCCCCCCCCCCO 62a_100009812471_100009817552 [1,1,0,0,0,0|1,0,1]=4 6040 B16R0.274 NC(=O)CCCCCCCCCCNCCF 34a_100000724931_200010167045 [1,1,0,0,0,0|2,0,0]=4 6041 B16R0.274 NC(=O)CCCCCCCCCCNCCO 2230a_100016997473_200010167045 [1,1,0,0,0,0|2,0,0]=4 6042 B16R0.274 NC(=O)CCCCCCCCCCNCCO 34a_100016990907_200010167045 [1,1,0,0,0,0|2,0,0]=4 6043 B16R0.274 NC(=O)CCCCCCCCCCOCCBr 34a_100000211926_200010167045 [1,1,0,0,0,0|2,0,0]=4 6044 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_100011217306_200010167045 [1,1,0,0,0,0|2,0,0]=4 6045 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_200010167045_100011217306 [1,1,0,0,0,0|2,0,0]=4 6046 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_100000211926_200010167045 [1,1,0,0,0,0|2,0,0]=4 6047 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_200010167045_100000211926 [1,1,0,0,0,0|2,0,0]=4 6048 B16R0.274 NC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009817443 [1,1,0,0,0,0|2,0,0]=4 6049 B16R0.274 NC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009817443 [1,1,0,0,0,0|2,0,0]=4 6050 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009817443 [1,1,0,0,0,0|2,0,0]=4 6051 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009817443 [1,1,0,0,0,0|2,0,0]=4 6052 B16R0.274 NC(=O)CCCCCOCCCCCCCO 34a_100000123541_100000760002 [1,1,0,0,0,0|2,0,0]=4 6053 B16R0.274 NC(=O)CCCCCOCCCCCCCO 7a_100000123541_100000760002 [1,1,0,0,0,0|2,0,0]=4 6054 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009817443 [1,1,0,0,0,0|2,0,0]=4 6055 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100009817443_100000760002 [1,1,0,0,0,0|2,0,0]=4 6056 B16R0.274 NC(=O)CCCCNCCCCCCCCO 34a_100000696515_100000033203 [1,1,0,0,0,0|2,0,0]=4 6057 B16R0.274 NC(=O)CCCCOCCCCCCCCO 34a_100012022536_100000033203 [1,1,0,0,0,0|2,0,0]=4 6058 B16R0.274 NC(=O)CCCCOCCCCCCCCO 7a_100012022536_100000033203 [1,1,0,0,0,0|2,0,0]=4 6059 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000078944_100102525003 [1,1,0,0,0,0|2,0,0]=4 6060 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000739312_100009813782 [1,1,0,0,0,0|2,0,0]=4 6061 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100102525003 [1,1,0,0,0,0|2,0,0]=4 6062 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100102525003 [1,1,0,0,0,0|2,0,0]=4 6063 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100102525003 [1,1,0,0,0,0|2,0,0]=4 6064 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100102525003 [1,1,0,0,0,0|2,0,0]=4 6065 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100009813782_100102525003 [1,1,0,0,0,0|2,0,0]=4 6066 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100102525003_100009813782 [1,1,0,0,0,0|2,0,0]=4 6067 B16R0.274 NC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000744528 [1,1,0,0,0,0|2,0,0]=4 6068 B16R0.274 NC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000731001 [1,1,0,0,0,0|2,0,0]=4 6069 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000731001 [1,1,0,0,0,0|2,0,0]=4 6070 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000744528 [1,1,0,0,0,0|2,0,0]=4 6071 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000731001 [1,1,0,0,0,0|2,0,0]=4 6072 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000744528 [1,1,0,0,0,0|2,0,0]=4 6073 B16R0.274 NC(=O)CCOCCCCCCCCCCO 34a_100000757172_100009813290 [1,1,0,0,0,0|2,0,0]=4 6074 B16R0.274 NC(=O)CCOCCCCCCCCCCO 7a_100000757172_100009813290 [1,1,0,0,0,0|2,0,0]=4 6075 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100000744528_200000033068 [1,1,0,0,0,0|2,0,0]=4 6076 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000744528 [1,1,0,0,0,0|2,0,0]=4 6077 B16R0.274 NC(=O)CNCCCCCCCCCCCO 2230a_100000711301_100009812471 [1,1,0,0,0,0|2,0,0]=4 6078 B16R0.274 NC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000187820 [1,1,0,0,0,0|2,0,0]=4 6079 B16R0.274 NC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000187820 [1,1,0,0,0,0|2,0,0]=4 6080 B16R0.274 NC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747473 [1,1,0,0,0,0|2,0,0]=4 6081 B16R0.274 NCCCCCCCCCCOCCC(=O)N 34a_100000066964_100000731001 [1,1,0,0,0,0|2,0,0]=4 6082 B16R0.274 NCCCCCCCCCOCCCC(=O)N 34a_100000078944_100102525003 [1,1,0,0,0,0|2,0,0]=4 6083 B16R0.274 NCCCCCCCOCCCCCC(=O)N 34a_100011996573_100009817443 [1,1,0,0,0,0|2,0,0]=4 6084 B16R0.274 NCCOCCCCCCCCCCC(=O)N 34a_100000210304_200010167045 [1,1,0,0,0,0|2,0,0]=4 6085 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [1,1,0,0,0,0|2,0,0]=4 6086 B16R0.274 O=C([O-])CCCCCOCCCCCCCO 7a_100102619762_100000760002 [1,1,0,0,0,0|2,0,0]=4 6087 B16R0.274 O=C([O-])COCCCCCCCCCCCBr 34a_100009812471_100020667443 [1,1,0,0,0,0|2,0,0]=4 6088 B16R0.274 O=C([O-])CSCCCCCCCCCCCO 62a_100009812471_100020667443 [1,1,0,0,0,0|2,0,0]=4 6089 B16R0.661 C=CCCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100012355270 [1,1,0,0,0,0|1,0,1]=4 6090 B16R0.661 CCCCC(=O)CCCCCCCCCCO 1458a_100000210183_100009813290 [1,1,0,0,0,0|0,0,2]=4 6091 B16R0.661 CCCCC(C)CCCCOCCCCC=O 7a_200011021034_100000139335 [1,1,0,0,0,0|1,0,0]=3 6092 B16R0.661 CCCCC(C)CCCCOCCCCCO 34a_200011021034_100000746330 [1,1,0,0,0,0|1,0,1]=4 6093 B16R0.661 CCCCC(C)CCCCOCCCCCO 7a_200011021034_100000746330 [1,1,0,0,0,0|1,0,1]=4 6094 B16R0.661 CCCCC(C)COCCCCCCCCO 34a_100011995851_100000033203 [1,1,0,0,0,0|1,0,1]=4 6095 B16R0.661 CCCCC(C)COCCCCCCCCO 7a_100011995851_100000033203 [1,1,0,0,0,0|1,0,1]=4 6096 B16R0.661 CCCCC(C)NCCCCCCCCCO 2230a_100000078944_200011215066 [1,1,0,0,0,0|1,0,1]=4 6097 B16R0.661 CCCCC(C)NCCCCCCCCCO 2230a_100000126638_100009813782 [1,1,0,0,0,0|1,0,1]=4 6098 B16R0.661 CCCCC(C)NCCCCCCCCCO 270004a_100000078944_100000210087 [1,1,0,0,0,0|1,0,1]=4 6099 B16R0.661 CCCCC(C)NCCCCCCCCCO 34a_100000078944_200011215066 [1,1,0,0,0,0|1,0,1]=4 6100 B16R0.661 CCCCC(C)OCCCCCCCCCN 34a_100000078944_200011215066 [1,1,0,0,0,0|2,0,0]=4 6101 B16R0.661 CCCCC(C)OCCCCCCCCCO 34a_100000687866_100009813782 [1,1,0,0,0,0|1,0,1]=4 6102 B16R0.661 CCCCC(C)OCCCCCCCCCO 7a_100000687866_100009813782 [1,1,0,0,0,0|1,0,1]=4 6103 B16R0.661 CCCCCCCCCCCC(=O)CCCO 1458a_100000210736_100011215043 [1,1,0,0,0,0|0,0,2]=4 6104 B16R0.661 CCCCCCCCCCCC(C)NCCO 270004a_100000210304_100011216755 [1,1,0,0,0,0|1,0,1]=4 6105 B16R0.661 CCCCCCCCCCCC(C)OCC=O 34a_100011217895_200009817547 [1,1,0,0,0,0|1,0,0]=3 6106 B16R0.661 CCCCCCCCCCCC(C)OCC=O 7a_100011217895_200015260668 [1,1,0,0,0,0|1,0,0]=3 6107 B16R0.661 CCCCCCCCCCCC(C)OCCO 34a_100011217895_100000211926 [1,1,0,0,0,0|1,0,1]=4 6108 B16R0.661 CCCCCCCCCCCC(C)OCCO 7a_100011217895_100000211926 [1,1,0,0,0,0|1,0,1]=4 6109 B16R0.661 CCCCCCCCCCCN(C)CCCO 2230a_100000213112_100011215454 [1,1,0,0,0,0|1,0,1]=4 6110 B16R0.661 CCCCCCCCCCCN(C)CCCO 269982a_100000213112_100011215454 [1,1,0,0,0,0|1,0,1]=4 6111 B16R0.661 CCCCCCCCCNC[C@H](C)CCCO 2230a_100160569302_100011214924 [1,1,0,0,0,0|1,0,1]=4 6112 B16R0.661 CCCCCCCCCNC[C@H](C)CCCO 34a_100160569302_100011214924 [1,1,0,0,0,0|1,0,1]=4 6113 B16R0.661 CCCCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100011214924 [1,1,0,0,0,0|1,0,1]=4 6114 B16R0.661 CCCCN(C)CCCCCCCCCCO 2230a_100000207549_100009813290 [1,1,0,0,0,0|1,0,1]=4 6115 B16R0.661 CCCCN(C)CCCCCCCCCCO 269982a_100000207549_100009813290 [1,1,0,0,0,0|1,0,1]=4 6116 B16R0.661 CCCC[C@H](N)COCCCCCCCCO 34a_100011934283_100000033203 [1,1,0,0,0,0|1,0,1]=4 6117 B16R0.6603 C=CCCNCC(C)CCCCCCCCC 270004a_100015191253_200011218516 [1,1,0,0,0,0|1,0,1]=4 6118 B16R0.6603 CCCCCCC(=O)CCCCCCCCO 1458a_100102632555_100000033203 [1,1,0,0,0,0|0,0,2]=4 6119 B16R0.6603 CCCCCCC(C)CCOCCCCC=O 7a_200011024964_100000139335 [1,1,0,0,0,0|1,0,0]=3 6120 B16R0.6603 CCCCCCC(C)CCOCCCCCO 34a_200011024964_100000746330 [1,1,0,0,0,0|1,0,1]=4 6121 B16R0.6603 CCCCCCC(C)CCOCCCCCO 7a_200011024964_100000746330 [1,1,0,0,0,0|1,0,1]=4 6122 B16R0.6603 CCCCCCC(C)NCCCCCCCO 2230a_100000210919_100000760002 [1,1,0,0,0,0|1,0,1]=4 6123 B16R0.6603 CCCCCCC(C)NCCCCCCCO 2230a_100011996573_100011215978 [1,1,0,0,0,0|1,0,1]=4 6124 B16R0.6603 CCCCCCC(C)NCCCCCCCO 270004a_100011996573_100000210826 [1,1,0,0,0,0|1,0,1]=4 6125 B16R0.6603 CCCCCCC(C)NCCCCCCCO 34a_100000210919_100000760002 [1,1,0,0,0,0|1,0,1]=4 6126 B16R0.6603 CCCCCCC(C)NCCCCCCCO 34a_100011996573_100011215978 [1,1,0,0,0,0|1,0,1]=4 6127 B16R0.6603 CCCCCCC(C)OCCCCCCCN 34a_100011996573_100011215978 [1,1,0,0,0,0|2,0,0]=4 6128 B16R0.6603 CCCCCCC(C)OCCCCCCCO 34a_100000210265_100000760002 [1,1,0,0,0,0|1,0,1]=4 6129 B16R0.6603 CCCCCCC(C)OCCCCCCCO 7a_100000210265_100000760002 [1,1,0,0,0,0|1,0,1]=4 6130 B16R0.6603 CCCCCCCCCC(=O)CCCCCO 1458a_100000210558_100000746330 [1,1,0,0,0,0|0,0,2]=4 6131 B16R0.6603 CCCCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210670 [1,1,0,0,0,0|0,0,2]=4 6132 B16R0.6603 CCCCCCCCCC(C)CNCCCF 270004a_100015189416_200011218516 [1,1,0,0,0,0|2,0,0]=4 6133 B16R0.6603 CCCCCCCCCC(C)CNCCCO 270004a_100000182051_200011218516 [1,1,0,0,0,0|1,0,1]=4 6134 B16R0.6603 CCCCCCCCCC(C)NCCCCO 270004a_100000750430_100011215753 [1,1,0,0,0,0|1,0,1]=4 6135 B16R0.6603 CCCCCCCCCC(C)OCCCC=O 7a_100011218016_200011292268 [1,1,0,0,0,0|1,0,0]=3 6136 B16R0.6603 CCCCCCCCCC(C)OCCCCO 34a_100011218016_100011216708 [1,1,0,0,0,0|1,0,1]=4 6137 B16R0.6603 CCCCCCCCCC(C)OCCCCO 7a_100011218016_100000210776 [1,1,0,0,0,0|1,0,1]=4 6138 B16R0.6603 CCCCCCCCCN(C)CCCCC=O 2230a_100000232482_100000139335 [1,1,0,0,0,0|1,0,0]=3 6139 B16R0.6603 CCCCCCCCCN(C)CCCCC=O 269982a_100000232482_100000139335 [1,1,0,0,0,0|1,0,0]=3 6140 B16R0.6603 CCCCCCCCCN(C)CCCCCF 2230a_100000232482_100000729378 [1,1,0,0,0,0|2,0,0]=4 6141 B16R0.6603 CCCCCCCCCN(C)CCCCCF 269982a_100000232482_100000729378 [1,1,0,0,0,0|2,0,0]=4 6142 B16R0.6603 CCCCCCCCCN(C)CCCCCO 2230a_100000232482_100000746330 [1,1,0,0,0,0|1,0,1]=4 6143 B16R0.6603 CCCCCCCCCN(C)CCCCCO 2230a_100000722520_100011214924 [1,1,0,0,0,0|1,0,1]=4 6144 B16R0.6603 CCCCCCCCCN(C)CCCCCO 269982a_100000232482_100000746330 [1,1,0,0,0,0|1,0,1]=4 6145 B16R0.6603 CCCCCCCCCN(C)CCCCCO 269982a_100000722520_100000210670 [1,1,0,0,0,0|1,0,1]=4 6146 B16R0.6603 CCCCCCN(C)CCCCCCCCO 2230a_106256046315_100000033203 [1,1,0,0,0,0|1,0,1]=4 6147 B16R0.6603 CCCCCCN(C)CCCCCCCCO 269982a_106256046315_100000033203 [1,1,0,0,0,0|1,0,1]=4 6148 B18R0.2 CCCCC(=O)CCCCCCCCCCC(=O)N 1458a_100000210183_200010167045 [0,2,0,0,0,0|0,0,1]=3 6149 B18R0.2 CCCCC(C)CCCCOCCCCCC(=O)N 34a_200011021034_100009817443 [0,2,0,0,0,0|1,0,0]=3 6150 B18R0.2 CCCCC(C)CCCCOCCCCCC(=O)N 7a_200011021034_100009817443 [0,2,0,0,0,0|1,0,0]=3 6151 B18R0.2 CCCCC(C)CCCCOCCCCOC(=O)C 34a_200011021034_100000033659 [0,2,0,0,0,0|2,0,0]=4 6152 B18R0.2 CCCCC(C)CCCCOCCCCOC(=O)C 7a_200011021034_100000033659 [0,2,0,0,0,0|2,0,0]=4 6153 B18R0.2 CCCCN(C)CCCCCCCCCCC(=O)N 2230a_100000207549_200010167045 [0,2,0,0,0,0|1,0,0]=3 6154 B18R0.2 CCCCN(C)CCCCCCCCCCC(=O)N 269982a_100000207549_200010167045 [0,2,0,0,0,0|1,0,0]=3 6155 B18R0.2 CCOCC(=O)CCCCCCCCCCC(=O)N 1458a_100000211967_200010167045 [0,2,0,0,0,0|1,0,1]=4 6156 B18R0.2 CCSCC(=O)CCCCCCCCCCC(=O)N 1458a_100000230394_200010167045 [0,2,0,0,0,0|1,0,1]=4 6157 B18R0.2 CN(CCCO)CCCCCCCCCCC(=O)N 2230a_100000213112_200010167045 [0,2,0,0,0,0|2,0,0]=4 6158 B18R0.2 CN(CCCO)CCCCCCCCCCC(=O)N 269982a_100000213112_200010167045 [0,2,0,0,0,0|2,0,0]=4 6159 B18R0.2 COCCC(=O)CCCCCCCCCCC(=O)N 1458a_100000749529_200010167045 [0,2,0,0,0,0|1,0,1]=4 6160 B18R0.2 COCCN(C)CCCCCCCCCCC(=O)N 2230a_100000743101_200010167045 [0,2,0,0,0,0|2,0,0]=4 6161 B18R0.2 COCCN(C)CCCCCCCCCCC(=O)N 269982a_100000743101_200010167045 [0,2,0,0,0,0|2,0,0]=4 6162 B18R0.2 CSCCC(=O)CCCCCCCCCCC(=O)N 1458a_100000174002_200010167045 [0,2,0,0,0,0|1,0,1]=4 6163 B18R0.2 CSCCN(C)CCCCCCCCCCC(=O)N 2230a_100000686725_200010167045 [0,2,0,0,0,0|2,0,0]=4 6164 B18R0.2 CSCCN(C)CCCCCCCCCCC(=O)N 269982a_100000686725_200010167045 [0,2,0,0,0,0|2,0,0]=4 6165 B18R0.94 CCCCCCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210759 [0,2,0,0,0,0|1,0,1]=4 6166 B18R0.94 CCCCCCCCC(=O)CCCCCOC(=O)C 1458a_100000210188_100000033007 [0,2,0,0,0,0|1,0,1]=4 6167 B18R0.94 CCCCCCCCC(C)CNCCCCC(=O)N 270004a_100000696515_100011995885 [0,2,0,0,0,0|1,0,0]=3 6168 B18R0.94 CCCCCCCCC(C)CNCCCNC(=O)C 270004a_100000736810_100011995885 [0,2,0,0,0,0|2,0,0]=4 6169 B18R0.94 CCCCCCCCC(C)COCCCOC(=O)C 34a_200012125181_100000042594 [0,2,0,0,0,0|2,0,0]=4 6170 B18R0.94 CCCCCCCCC(C)COCCCOC(=O)C 7a_200012125181_100000042594 [0,2,0,0,0,0|2,0,0]=4 6171 B18R0.94 CCCCCCCCC(C)COCCOCC(=O)N 34a_200012125181_100000076697 [0,2,0,0,0,0|2,0,0]=4 6172 B18R0.94 CCCCCCCCC(C)COCCOCC(=O)N 7a_200012125181_100000076697 [0,2,0,0,0,0|2,0,0]=4 6173 B18R0.94 CCCCCCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100011216694 [0,2,0,0,0,0|2,0,0]=4 6174 B18R0.94 CCCCCCCCC(C)OCCCCCC(=O)N 34a_100000210740_100009817443 [0,2,0,0,0,0|1,0,0]=3 6175 B18R0.94 CCCCCCCCC(C)OCCCCCC(=O)N 7a_100000210740_100009817443 [0,2,0,0,0,0|1,0,0]=3 6176 B18R0.94 CCCCCCCCC(C)OCCCCOC(=O)C 34a_100000210740_100000033659 [0,2,0,0,0,0|2,0,0]=4 6177 B18R0.94 CCCCCCCCC(C)OCCCCOC(=O)C 7a_100000210740_100000033659 [0,2,0,0,0,0|2,0,0]=4 6178 B18R0.94 CCCCCCCCN(C)CCCCCOC(=O)C 2230a_100000207567_100009813381 [0,2,0,0,0,0|2,0,0]=4 6179 B18R0.94 CCCCCCCCN(C)CCCCCOC(=O)C 269982a_100000207567_100000033007 [0,2,0,0,0,0|2,0,0]=4 6180 B18R0.114 CC(CN)COCCCCCCCCCCC(=O)N 34a_100000744482_200010167045 [0,2,0,0,0,0|2,0,0]=4 6181 B18R0.114 CC(CO)CNCCCCCCCCCCC(=O)N 34a_100000744482_200010167045 [0,2,0,0,0,0|2,0,0]=4 6182 B18R0.114 CCC(=O)COCCCCCCCCCCC(=O)N 34a_100000725409_200010167045 [0,2,0,0,0,0|1,0,1]=4 6183 B18R0.114 CCC(=O)CSCCCCCCCCCCC(=O)N 62a_100000747405_200010167045 [0,2,0,0,0,0|1,0,1]=4 6184 B18R0.114 CCC(=O)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000747405 [0,2,0,0,0,0|1,0,1]=4 6185 B18R0.114 CCC(C)CCCCCOCCCCCOC(=O)C 7a_200000035636_100000033007 [0,2,0,0,0,0|2,0,0]=4 6186 B18R0.114 CCC(C)CNCCCCCCCCCCC(=O)N 2230a_100020588543_200010167045 [0,2,0,0,0,0|1,0,0]=3 6187 B18R0.114 CCC(C)CSCCCCCCCCCCC(=O)N 62a_100000748023_200010167045 [0,2,0,0,0,0|1,0,0]=3 6188 B18R0.114 CCC(C)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000748023 [0,2,0,0,0,0|1,0,0]=3 6189 B18R0.114 CCC(O)CNCCCCCCCCCCC(=O)N 2230a_100011218483_200010167045 [0,2,0,0,0,0|1,0,0]=3 6190 B18R0.114 CCC(O)CSCCCCCCCCCCC(=O)N 62a_100011218378_200010167045 [0,2,0,0,0,0|1,0,0]=3 6191 B18R0.114 CCC(O)CSCCCCCCCCCCC(=O)N 62a_200010167045_100011218378 [0,2,0,0,0,0|1,0,0]=3 6192 B18R0.114 CCN(C)CCCCCCCCCCCSC(=O)C 2230a_100000225621_100010140907 [0,2,0,0,0,0|2,0,0]=4 6193 B18R0.114 CCN(C)CCCCCCCCCCCSC(=O)C 269982a_100000225621_100010140907 [0,2,0,0,0,0|2,0,0]=4 6194 B18R0.114 CC[C@H](C)COCCCCCCCCCCC(=O)N 7a_100009816381_200010167045 [0,2,0,0,0,0|1,0,0]=3 6195 B18R0.114 CC[C@H](C)CSCCCCCCCCCCC(=O)N 62a_100009816398_200010167045 [0,2,0,0,0,0|1,0,0]=3 6196 B18R0.114 CC[C@H](C)CSCCCCCCCCCCC(=O)N 62a_200010167045_100009816398 [0,2,0,0,0,0|1,0,0]=3 6197 B18R0.114 COC(=O)CCCCCCCCCCCCC(=O)C 1458a_100000070787_209314222159 [0,2,0,0,0,0|1,0,1]=4 6198 B18R0.114 COC(C)COCCCCCCCCCCC(=O)N 34a_100000690652_200010167045 [0,2,0,0,0,0|2,0,0]=4 6199 B18R0.114 CO[C@H](C)CNCCCCCCCCCCC(=O)N 2230a_100020591295_200010167045 [0,2,0,0,0,0|2,0,0]=4 6200 B18R0.114 C[C@@H](CO)CSCCCCCCCCCCC(=O)N 62a_100000059175_200010167045 [0,2,0,0,0,0|2,0,0]=4 6201 B18R0.114 C[C@@H](CO)CSCCCCCCCCCCC(=O)N 62a_200010167045_100000059175 [0,2,0,0,0,0|2,0,0]=4 6202 B18R0.114 NC(=O)CCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_200010167045 [0,2,0,0,0,0|2,0,0]=4 6203 B18R0.114 NC(=O)CCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_200010167045 [0,2,0,0,0,0|2,0,0]=4 6204 B18R0.114 NC(=O)CCCCCCCCCCOCC(Cl)CCl 34a_100000033668_200010167045 [0,2,0,0,0,0|2,0,0]=4 6205 B18R0.114 NC(=O)CCCCCCCCCCSCC(O)CO 62a_100011219619_200010167045 [0,2,0,0,0,0|2,0,0]=4 6206 B18R0.114 NC(=O)CCCCCCCCCCSCC(O)CO 62a_200010167045_100011219619 [0,2,0,0,0,0|2,0,0]=4 6207 B18R0.114 NC(=O)CCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_200010167045 [0,2,0,0,0,0|2,0,0]=4 6208 B18R0.114 NC(=O)CCCCCCCCCCSC[C@@H](O)CF 62a_200010167045_100015614560 [0,2,0,0,0,0|2,0,0]=4 6209 B18R0.114 NC(=O)CCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_200010167045 [0,2,0,0,0,0|2,0,0]=4 6210 B18R0.114 NC(=O)CCCCCCCCCCSC[C@@H](O)CO 62a_200010167045_100009815848 [0,2,0,0,0,0|2,0,0]=4 6211 B18R0.114 NC[C@@H](F)COCCCCCCCCCCC(=O)N 34a_100015665980_200010167045 [0,2,0,0,0,0|2,0,0]=4 6212 B18R0.127 CCCCCCC(C)CCOCCCCCC(=O)N 34a_200011024964_100009817443 [0,2,0,0,0,0|1,0,0]=3 6213 B18R0.127 CCCCCCC(C)CCOCCCCCC(=O)N 7a_200011024964_100009817443 [0,2,0,0,0,0|1,0,0]=3 6214 B18R0.127 CCCCCCC(C)CCOCCCCOC(=O)C 34a_200011024964_100000033659 [0,2,0,0,0,0|2,0,0]=4 6215 B18R0.127 CCCCCCC(C)CCOCCCCOC(=O)C 7a_200011024964_100000033659 [0,2,0,0,0,0|2,0,0]=4 6216 B18R0.127 CCCCCCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100011215978 [0,2,0,0,0,0|2,0,0]=4 6217 B18R0.127 CCCCCCC(C)NCCCCCCNC(=O)C 270004a_200011996284_100000210826 [0,2,0,0,0,0|2,0,0]=4 6218 B18R0.127 CCCCCCC(C)NCCCCCCNC(=O)C 34a_200011996284_100011215978 [0,2,0,0,0,0|2,0,0]=4 6219 B18R0.127 CCCCCCC(C)NCCCCCCSC(=O)C 270004a_100000704104_100000210826 [0,2,0,0,0,0|2,0,0]=4 6220 B18R0.171 C#CC(=O)CCCCCCCCCCCCCCO 1458a_100000211873_100009828009 [0,2,0,0,0,0|1,0,0]=3 6221 B18R0.171 C#CC(O)CCCCCNCCCCCCCCC 2230a_100000212291_200010408556 [0,2,0,0,0,0|1,0,1]=4 6222 B18R0.171 C#CC(O)CCCCCNCCCCCCCCC 34a_100000212291_200010408556 [0,2,0,0,0,0|1,0,1]=4 6223 B18R0.171 C#CC(O)CCCCCOCCCCCCCCC 34a_100000210712_200010408556 [0,2,0,0,0,0|1,0,1]=4 6224 B18R0.171 C#CC(O)CCCCCOCCCCCCCCC 7a_100000210712_200010408556 [0,2,0,0,0,0|1,0,1]=4 6225 B18R0.171 C=C(C#N)CNCCCCCCCCCCCCC 2230a_100011215765_100000694840 [0,2,0,0,0,0|2,0,0]=4 6226 B18R0.171 C=C(C#N)CNCCCCCCCCCCCCC 34a_100011215765_100000694840 [0,2,0,0,0,0|2,0,0]=4 6227 B18R0.171 C=CC(=O)NCCCCCCCCCCCCCC 1626a_100011217771_100000185746 [0,2,0,0,0,0|1,0,0]=3 6228 B18R0.171 C=CC(=O)NCCCCCCCCCCCCCC 240690a_100011217771_200121576911 [0,2,0,0,0,0|1,0,0]=3 6229 B18R0.171 C=CC(=O)NCCCCOCCCCCCCCC 34a_100014118770_100011214924 [0,2,0,0,0,0|2,0,0]=4 6230 B18R0.171 C=CC(=O)NCCNCCCCCCCCCCC 2230a_114873766552_100011215454 [0,2,0,0,0,0|2,0,0]=4 6231 B18R0.171 C=CC(=O)NCCOCCCCCCCCCCC 34a_100011304386_100011215454 [0,2,0,0,0,0|2,0,0]=4 6232 B18R0.171 C=CC(=O)OCCCCCCNCCCCCCC 2230a_100000229938_100009894100 [0,2,0,0,0,0|2,0,0]=4 6233 B18R0.171 C=CC(=O)OCCCCCCOCCCCCCC 34a_100000210272_100009894100 [0,2,0,0,0,0|2,0,0]=4 6234 B18R0.171 C=CC(=O)OCCCCCCOCCCCCCC 7a_100000210272_100009894100 [0,2,0,0,0,0|2,0,0]=4 6235 B18R0.171 C=CC(=O)OCCCCCCSCCCCCCC 62a_100000210614_100009894100 [0,2,0,0,0,0|2,0,0]=4 6236 B18R0.171 C=CC(=O)OCCCCCCSCCCCCCC 62a_100009894100_100000210316 [0,2,0,0,0,0|2,0,0]=4 6237 B18R0.171 C=CC(=O)OCCCCCOCCCCCCCC 7a_200011023508_100000210759 [0,2,0,0,0,0|2,0,0]=4 6238 B18R0.171 C=CC(=O)OCCNCCCCCCCCCCC 2230a_200011215754_100009813456 [0,2,0,0,0,0|2,0,0]=4 6239 B18R0.171 C=CC(=O)OCCNCCCCCCCCCCC 34a_200011215754_100009813456 [0,2,0,0,0,0|2,0,0]=4 6240 B18R0.171 C=CC(=O)OCCOCCCCCCCCCCC 34a_100000210809_100009813456 [0,2,0,0,0,0|2,0,0]=4 6241 B18R0.171 C=CC(=O)OCCOCCCCCCCCCCC 7a_100000210809_100009813456 [0,2,0,0,0,0|2,0,0]=4 6242 B18R0.171 C=CC(=O)OCCSCCCCCCCCCCC 62a_100009813456_100011215454 [0,2,0,0,0,0|2,0,0]=4 6243 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 11a_106832991635_100020587579 [0,2,0,0,0,0|0,0,2]=4 6244 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 1626a_100102657272_100020587579 [0,2,0,0,0,0|0,0,2]=4 6245 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 240690a_100102657272_100020587579 [0,2,0,0,0,0|0,0,2]=4 6246 B18R0.171 CCCCCC/C=C\CCCCCCCC(=O)NC 527a_100102657272_100020587579 [0,2,0,0,0,0|0,0,2]=4 6247 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO 240690a_100011217771_100000210174 [0,2,0,0,0,0|1,0,0]=3 6248 B18R0.171 CCCCCCCCCCCCCCNC(=O)CO 527a_100011217771_100000210174 [0,2,0,0,0,0|1,0,0]=3 6249 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 2708a_100011217771_106832991635 [0,2,0,0,0,0|1,0,0]=3 6250 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 2708a_100102657272_100011217771 [0,2,0,0,0,0|1,0,0]=3 6251 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 273464a_100011217771_100102657272 [0,2,0,0,0,0|1,0,0]=3 6252 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 273464a_100102657272_100011217771 [0,2,0,0,0,0|1,0,0]=3 6253 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 512a_100011217771_100102657272 [0,2,0,0,0,0|1,0,0]=3 6254 B18R0.171 CCCCCCCCCCCCCCNC(=O)NC 512a_106832991638_100011217771 [0,2,0,0,0,0|1,0,0]=3 6255 B18R0.171 CCCCCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210684 [0,2,0,0,0,0|1,0,0]=3 6256 B18R0.171 CCCCCCCCCCCCCNCC(=O)NC 2230a_100011215765_100000183359 [0,2,0,0,0,0|1,0,0]=3 6257 B18R0.171 CCCCCCCCCCCCCNCC(=O)NC 270004a_100000693194_200011215488 [0,2,0,0,0,0|1,0,0]=3 6258 B18R0.171 CCCCCCCCCCCCCNCC(=O)NC 34a_100011215765_100000183359 [0,2,0,0,0,0|1,0,0]=3 6259 B18R0.171 CCCCCCCCCCCCCNCC(=O)OC 2230a_100011215765_100000747449 [0,2,0,0,0,0|1,0,0]=3 6260 B18R0.171 CCCCCCCCCCCCCNCC(=O)OC 34a_100011215765_100000747449 [0,2,0,0,0,0|1,0,0]=3 6261 B18R0.171 CCCCCCCCCCCCCOCC(=O)NC 34a_100000185773_100000183359 [0,2,0,0,0,0|1,0,0]=3 6262 B18R0.171 CCCCCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210684 [0,2,0,0,0,0|1,0,0]=3 6263 B18R0.171 CCCCCCCCCCCCCOCC(=O)NC 7a_100000185773_100000183359 [0,2,0,0,0,0|1,0,0]=3 6264 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 34a_100000185773_100000747449 [0,2,0,0,0,0|1,0,0]=3 6265 B18R0.171 CCCCCCCCCCCCCOCC(=O)OC 7a_100000185773_100000747449 [0,2,0,0,0,0|1,0,0]=3 6266 B18R0.171 CCCCCCCCCCCCCSCC(=O)NC 62a_100000183359_100011934334 [0,2,0,0,0,0|1,0,0]=3 6267 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 2230a_100000210451_100000737683 [0,2,0,0,0,0|1,0,0]=3 6268 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011215052 [0,2,0,0,0,0|1,0,0]=3 6269 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 270004a_100000738227_100011218549 [0,2,0,0,0,0|1,0,0]=3 6270 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 34a_100000210451_100012179268 [0,2,0,0,0,0|1,0,0]=3 6271 B18R0.171 CCCCCCCCCCCCNCCC(=O)NC 34a_100000738227_100000759014 [0,2,0,0,0,0|1,0,0]=3 6272 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC 2230a_100000210451_100000204255 [0,2,0,0,0,0|1,0,0]=3 6273 B18R0.171 CCCCCCCCCCCCNCCC(=O)OC 34a_100000210451_100000742370 [0,2,0,0,0,0|1,0,0]=3 6274 B18R0.171 CCCCCCCCCCCCOCCC(=NO)N 34a_100000749954_100000759014 [0,2,0,0,0,0|1,0,1]=4 6275 B18R0.171 CCCCCCCCCCCCOCCC(=O)NC 34a_100000210810_100012179268 [0,2,0,0,0,0|1,0,0]=3 6276 B18R0.171 CCCCCCCCCCCCOCCC(=O)NC 34a_100000754576_100000759014 [0,2,0,0,0,0|1,0,0]=3 6277 B18R0.171 CCCCCCCCCCCCOCCC(=O)NC 7a_100000210810_100000737683 [0,2,0,0,0,0|1,0,0]=3 6278 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC 34a_100000210810_100000742370 [0,2,0,0,0,0|1,0,0]=3 6279 B18R0.171 CCCCCCCCCCCCOCCC(=O)OC 7a_100000210810_100000204255 [0,2,0,0,0,0|1,0,0]=3 6280 B18R0.171 CCCCCCCCCCCCSCCC(=O)NC 11a_106832991635_100008107568 [0,2,0,0,0,0|1,0,0]=3 6281 B18R0.171 CCCCCCCCCCCCSCCC(=O)NC 1626a_100102657272_100008107568 [0,2,0,0,0,0|1,0,0]=3 6282 B18R0.171 CCCCCCCCCCCCSCCC(=O)NC 240690a_100102657272_100008107568 [0,2,0,0,0,0|1,0,0]=3 6283 B18R0.171 CCCCCCCCCCCCSCCC(=O)NC 62a_100000737683_100000759014 [0,2,0,0,0,0|1,0,0]=3 6284 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 2230a_100000740002_100011215454 [0,2,0,0,0,0|1,0,0]=3 6285 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 2230a_200011215754_100000741757 [0,2,0,0,0,0|1,0,0]=3 6286 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 34a_100000740002_100011215454 [0,2,0,0,0,0|1,0,0]=3 6287 B18R0.171 CCCCCCCCCCCNCCCC(=O)NC 34a_200011215754_100000741757 [0,2,0,0,0,0|1,0,0]=3 6288 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC 2230a_200011215754_100011218270 [0,2,0,0,0,0|1,0,0]=3 6289 B18R0.171 CCCCCCCCCCCNCCCC(=O)OC 34a_200011215754_100000742333 [0,2,0,0,0,0|1,0,0]=3 6290 B18R0.171 CCCCCCCCCCCNCCNC(=O)CC 34a_100132302217_100011215454 [0,2,0,0,0,0|2,0,0]=4 6291 B18R0.171 CCCCCCCCCCCNCCNC(=O)NC 34a_100015205895_100011215454 [0,2,0,0,0,0|2,0,0]=4 6292 B18R0.171 CCCCCCCCCCCNCCOC(=O)NC 34a_200011215754_200011997002 [0,2,0,0,0,0|2,0,0]=4 6293 B18R0.171 CCCCCCCCCCCOCCCC(=O)NC 34a_100000210809_100000741757 [0,2,0,0,0,0|1,0,0]=3 6294 B18R0.171 CCCCCCCCCCCOCCCC(=O)NC 7a_100000210809_100000741757 [0,2,0,0,0,0|1,0,0]=3 6295 B18R0.171 CCCCCCCCCCCOCCCC(=O)NN 34a_100000211488_100011215454 [0,2,0,0,0,0|1,0,0]=3 6296 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 34a_100000210809_100000742333 [0,2,0,0,0,0|1,0,0]=3 6297 B18R0.171 CCCCCCCCCCCOCCCC(=O)OC 7a_100000210809_100011218270 [0,2,0,0,0,0|1,0,0]=3 6298 B18R0.171 CCCCCCCCCCCOCCNC(=O)CC 34a_200000158885_100011215454 [0,2,0,0,0,0|2,0,0]=4 6299 B18R0.171 CCCCCCCCCCCOCCNC(=O)CC 7a_200000158885_100011215454 [0,2,0,0,0,0|2,0,0]=4 6300 B18R0.171 CCCCCCCCCCCOCCNC(=O)OC 34a_100000757965_100011215454 [0,2,0,0,0,0|2,0,0]=4 6301 B18R0.171 CCCCCCCCCCCOCCOC(=O)CC 7a_200000031056_100011215454 [0,2,0,0,0,0|2,0,0]=4 6302 B18R0.171 CCCCCCCCCCCOCCOC(=O)NC 34a_100000210809_200011997002 [0,2,0,0,0,0|2,0,0]=4 6303 B18R0.171 CCCCCCCCCCCOCCOC(=O)NC 7a_100000210809_200011997002 [0,2,0,0,0,0|2,0,0]=4 6304 B18R0.171 CCCCCCCCCCCOCCOC(=O)OC 34a_100010262106_100011215454 [0,2,0,0,0,0|2,0,0]=4 6305 B18R0.171 CCCCCCCCCCCSCCCC(=O)NC 62a_100000741757_100011215454 [0,2,0,0,0,0|1,0,0]=3 6306 B18R0.171 CCCCCCCCCCCSCCOC(=O)NC 62a_200011997002_100011215454 [0,2,0,0,0,0|2,0,0]=4 6307 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 2230a_100000684558_100000204269 [0,2,0,0,0,0|1,0,0]=3 6308 B18R0.171 CCCCCCCCCCNCCCCC(=O)OC 34a_100000684558_100000204269 [0,2,0,0,0,0|1,0,0]=3 6309 B18R0.171 CCCCCCCCCCNCCOCC(=O)OC 2230a_100000684558_100000090808 [0,2,0,0,0,0|2,0,0]=4 6310 B18R0.171 CCCCCCCCCCNCCOCC(=O)OC 34a_100000684558_100000090808 [0,2,0,0,0,0|2,0,0]=4 6311 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210320 [0,2,0,0,0,0|1,0,0]=3 6312 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 34a_100000210711_100000204269 [0,2,0,0,0,0|1,0,0]=3 6313 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210320 [0,2,0,0,0,0|1,0,0]=3 6314 B18R0.171 CCCCCCCCCCOCCCCC(=O)OC 7a_100000210711_100000204269 [0,2,0,0,0,0|1,0,0]=3 6315 B18R0.171 CCCCCCCCCCOCCOCC(=O)OC 34a_100000210711_100000090808 [0,2,0,0,0,0|2,0,0]=4 6316 B18R0.171 CCCCCCCCCCOCCOCC(=O)OC 7a_100000210711_100000090808 [0,2,0,0,0,0|2,0,0]=4 6317 B18R0.171 CCCCCCCCCCSCCOCC(=O)NC 34a_100011628728_100000183359 [0,2,0,0,0,0|2,0,0]=4 6318 B18R0.171 CCCCCCCCCCSCCOCC(=O)NC 7a_100011628728_100000183359 [0,2,0,0,0,0|2,0,0]=4 6319 B18R0.171 CCCCCCCCCCSCCOCC(=O)OC 34a_100011628728_100000747449 [0,2,0,0,0,0|2,0,0]=4 6320 B18R0.171 CCCCCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210320 [0,2,0,0,0,0|2,0,0]=4 6321 B18R0.171 CCCCCCCCCCSCCOCC(=O)OC 7a_100011628728_100000747449 [0,2,0,0,0,0|2,0,0]=4 6322 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC 2230a_100000212291_100009816466 [0,2,0,0,0,0|1,0,0]=3 6323 B18R0.171 CCCCCCCCCNCCCCCC(=O)OC 34a_100000212291_100009816466 [0,2,0,0,0,0|1,0,0]=3 6324 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 34a_100000074720_100011214924 [0,2,0,0,0,0|1,0,0]=3 6325 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 34a_100000210712_100009816466 [0,2,0,0,0,0|1,0,0]=3 6326 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210328 [0,2,0,0,0,0|1,0,0]=3 6327 B18R0.171 CCCCCCCCCOCCCCCC(=O)OC 7a_100000210712_100009816466 [0,2,0,0,0,0|1,0,0]=3 6328 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 2230a_100000229939_100009815986 [0,2,0,0,0,0|1,0,0]=3 6329 B18R0.171 CCCCCCCCNCCCCCCC(=O)OC 34a_100000229939_100009815986 [0,2,0,0,0,0|1,0,0]=3 6330 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 34a_100000210232_100009815986 [0,2,0,0,0,0|1,0,0]=3 6331 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100000210759 [0,2,0,0,0,0|1,0,0]=3 6332 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 7a_100000210232_100009815986 [0,2,0,0,0,0|1,0,0]=3 6333 B18R0.171 CCCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210759 [0,2,0,0,0,0|1,0,0]=3 6334 B18R0.171 CCCCCCCNCCCCCCCC(=O)OC 2230a_100000229938_100010004213 [0,2,0,0,0,0|1,0,0]=3 6335 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100000210272_100010004213 [0,2,0,0,0,0|1,0,0]=3 6336 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210614 [0,2,0,0,0,0|1,0,0]=3 6337 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100000210272_100010004213 [0,2,0,0,0,0|1,0,0]=3 6338 B18R0.171 CCCCCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210614 [0,2,0,0,0,0|1,0,0]=3 6339 B18R0.171 CCCCCCNCCCCCCCCC(=O)OC 2230a_100000210581_100010282707 [0,2,0,0,0,0|1,0,0]=3 6340 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210314 [0,2,0,0,0,0|1,0,0]=3 6341 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 34a_100000210259_100010282707 [0,2,0,0,0,0|1,0,0]=3 6342 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210314 [0,2,0,0,0,0|1,0,0]=3 6343 B18R0.171 CCCCCCOCCCCCCCCC(=O)OC 7a_100000210259_100010282707 [0,2,0,0,0,0|1,0,0]=3 6344 B18R0.171 CCCCCCOCCOCCCCCC(=O)OC 34a_100000691444_100009816466 [0,2,0,0,0,0|2,0,0]=4 6345 B18R0.171 CCCCCCOCCOCCCCCC(=O)OC 7a_100000691444_100009816466 [0,2,0,0,0,0|2,0,0]=4 6346 B18R0.171 CCCCCNCCCCCCCCCC(=O)OC 2230a_100000209983_100009813843 [0,2,0,0,0,0|1,0,0]=3 6347 B18R0.171 CCCCCNCCOCCCCCCC(=O)OC 34a_100000224656_100009815986 [0,2,0,0,0,0|2,0,0]=4 6348 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 34a_100000210253_100009813843 [0,2,0,0,0,0|1,0,0]=3 6349 B18R0.171 CCCCCOCCCCCCCCCC(=O)OC 7a_100000210253_100009813843 [0,2,0,0,0,0|1,0,0]=3 6350 B18R0.171 CCCCCOCCOCCCCCCC(=O)OC 34a_100011215259_100009815986 [0,2,0,0,0,0|2,0,0]=4 6351 B18R0.171 CCCCCOCCOCCCCCCC(=O)OC 7a_100011215259_100009815986 [0,2,0,0,0,0|2,0,0]=4 6352 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC 2230a_100000102301_100009812566 [0,2,0,0,0,0|1,0,0]=3 6353 B18R0.171 CCCCNCCCCCCCCCCC(=O)OC 7a_106832991798_100009812566 [0,2,0,0,0,0|1,0,0]=3 6354 B18R0.171 CCCCNCCCCOCCCCCC(=O)OC 34a_200011216965_100009816466 [0,2,0,0,0,0|2,0,0]=4 6355 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 34a_100000210227_100009812566 [0,2,0,0,0,0|1,0,0]=3 6356 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100000210210 [0,2,0,0,0,0|1,0,0]=3 6357 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 7a_100000210227_100009812566 [0,2,0,0,0,0|1,0,0]=3 6358 B18R0.171 CCCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000210211 [0,2,0,0,0,0|1,0,0]=3 6359 B18R0.171 CCCCOCCCCOCCCCCC(=O)OC 34a_200000760531_100009816466 [0,2,0,0,0,0|2,0,0]=4 6360 B18R0.171 CCCCOCCCCOCCCCCC(=O)OC 7a_200000760531_100009816466 [0,2,0,0,0,0|2,0,0]=4 6361 B18R0.171 CCCCOCCCNCCCCCCC(=O)OC 2230a_200000211371_100009815986 [0,2,0,0,0,0|2,0,0]=4 6362 B18R0.171 CCCCOCCCNCCCCCCC(=O)OC 34a_200000211371_100009815986 [0,2,0,0,0,0|2,0,0]=4 6363 B18R0.171 CCCCOCCCOCCCCCCC(=O)OC 34a_200011215613_100009815986 [0,2,0,0,0,0|2,0,0]=4 6364 B18R0.171 CCCCOCCCOCCCCCCC(=O)OC 7a_200011215613_100009815986 [0,2,0,0,0,0|2,0,0]=4 6365 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 34a_100000210238_100010004213 [0,2,0,0,0,0|2,0,0]=4 6366 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 34a_100011022521_100000743108 [0,2,0,0,0,0|2,0,0]=4 6367 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 7a_100000210238_100010004213 [0,2,0,0,0,0|2,0,0]=4 6368 B18R0.171 CCCCOCCOCCCCCCCC(=O)OC 7a_100011022521_100000743108 [0,2,0,0,0,0|2,0,0]=4 6369 B18R0.171 CCCCOCCSCCCCCCCC(=O)OC 62a_100000743108_100010004213 [0,2,0,0,0,0|2,0,0]=4 6370 B18R0.171 CCCCOCCSCCCCCCCC(=O)OC 62a_100010004213_100000743108 [0,2,0,0,0,0|2,0,0]=4 6371 B18R0.171 CCCCOCOCCCCCCCCC(=O)OC 34a_100000035544_100011995733 [0,2,0,0,0,0|2,0,0]=4 6372 B18R0.171 CCCCOCSCCCCCCCCC(=O)OC 62a_100010282707_100011995733 [0,2,0,0,0,0|2,0,0]=4 6373 B18R0.171 CCCCOCSCCCCCCCCC(=O)OC 62a_100011995733_100010282707 [0,2,0,0,0,0|2,0,0]=4 6374 B18R0.171 CCCCSCCNCCCCCCCC(=O)OC 2230a_100025743550_100010004213 [0,2,0,0,0,0|2,0,0]=4 6375 B18R0.171 CCCCSCCOCCCCCCCC(=O)OC 34a_200000230436_100010004213 [0,2,0,0,0,0|2,0,0]=4 6376 B18R0.171 CCCCSCCOCCCCCCCC(=O)OC 7a_200000230436_100010004213 [0,2,0,0,0,0|2,0,0]=4 6377 B18R0.171 CCCOCCCCCCCCCCCC(=O)OC 34a_100000210258_100010983606 [0,2,0,0,0,0|1,0,0]=3 6378 B18R0.171 CCCOCCCNCCCCCCCC(=O)OC 2230a_100011217757_100010004213 [0,2,0,0,0,0|2,0,0]=4 6379 B18R0.171 CCCOCCCNCCCCCCCC(=O)OC 34a_100011217757_100010004213 [0,2,0,0,0,0|2,0,0]=4 6380 B18R0.171 CCCOCCNCCCCCCCCC(=O)OC 2230a_100161115042_100010282707 [0,2,0,0,0,0|2,0,0]=4 6381 B18R0.171 CCCOCCNCCCCCCCCC(=O)OC 34a_100161115042_100010282707 [0,2,0,0,0,0|2,0,0]=4 6382 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 34a_100000035544_100011215938 [0,2,0,0,0,0|2,0,0]=4 6383 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 34a_100000752267_100010282707 [0,2,0,0,0,0|2,0,0]=4 6384 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 7a_100000035544_100011215938 [0,2,0,0,0,0|2,0,0]=4 6385 B18R0.171 CCCOCCOCCCCCCCCC(=O)OC 7a_100000752267_100010282707 [0,2,0,0,0,0|2,0,0]=4 6386 B18R0.171 CCCOCCSCCCCCCCCC(=O)OC 62a_100010282707_100011215938 [0,2,0,0,0,0|2,0,0]=4 6387 B18R0.171 CCCOCCSCCCCCCCCC(=O)OC 62a_100011215938_100010282707 [0,2,0,0,0,0|2,0,0]=4 6388 B18R0.171 CCCSCCNCCCCCCCCC(=O)OC 2230a_100020603323_100010282707 [0,2,0,0,0,0|2,0,0]=4 6389 B18R0.171 CCCSCCOCCCCCCCCC(=O)OC 34a_200000230433_100010282707 [0,2,0,0,0,0|2,0,0]=4 6390 B18R0.171 CCCSCCOCCCCCCCCC(=O)OC 7a_200000230433_100010282707 [0,2,0,0,0,0|2,0,0]=4 6391 B18R0.171 CCNCCCCCCCCCCCCC(=O)OC 2230a_100015525214_209314222159 [0,2,0,0,0,0|1,0,0]=3 6392 B18R0.171 CCOCCCCCCCCCCCCC(=O)OC 34a_100121572206_209314222159 [0,2,0,0,0,0|1,0,0]=3 6393 B18R0.171 CCOCCCCCCCCCOCCC(=O)NC 34a_100009875440_100012179268 [0,2,0,0,0,0|2,0,0]=4 6394 B18R0.171 CCOCCCCCCCCCOCCC(=O)NC 7a_100009875440_100000737683 [0,2,0,0,0,0|2,0,0]=4 6395 B18R0.171 CCOCCCCCCCCCOCCC(=O)OC 34a_100009875440_100000742370 [0,2,0,0,0,0|2,0,0]=4 6396 B18R0.171 CCOCCCCCCCCCOCCC(=O)OC 7a_100009875440_100000204255 [0,2,0,0,0,0|2,0,0]=4 6397 B18R0.171 CCOCCCNCCCCCCCCC(=O)OC 2230a_100000210961_100010282707 [0,2,0,0,0,0|2,0,0]=4 6398 B18R0.171 CCOCCCNCCCCCCCCC(=O)OC 34a_100000210961_100010282707 [0,2,0,0,0,0|2,0,0]=4 6399 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 34a_100000035544_100012232248 [0,2,0,0,0,0|2,0,0]=4 6400 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 34a_100000757476_100010282707 [0,2,0,0,0,0|2,0,0]=4 6401 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 7a_100000035544_100012232248 [0,2,0,0,0,0|2,0,0]=4 6402 B18R0.171 CCOCCCOCCCCCCCCC(=O)OC 7a_100000757476_100010282707 [0,2,0,0,0,0|2,0,0]=4 6403 B18R0.171 CCOCCCSCCCCCCCCC(=O)OC 62a_100010282707_100012232248 [0,2,0,0,0,0|2,0,0]=4 6404 B18R0.171 CCOCCCSCCCCCCCCC(=O)OC 62a_100012232248_100010282707 [0,2,0,0,0,0|2,0,0]=4 6405 B18R0.171 CCOCCNCCCCCCCCCC(=O)OC 2230a_102516460346_100009813843 [0,2,0,0,0,0|2,0,0]=4 6406 B18R0.171 CCOCCNCCCCCCCCCC(=O)OC 34a_102516460346_100009813843 [0,2,0,0,0,0|2,0,0]=4 6407 B18R0.171 CCOCCOCCCCCCCCCC(=O)OC 34a_100000210136_100009813843 [0,2,0,0,0,0|2,0,0]=4 6408 B18R0.171 CCOCCOCCCCCCCCCC(=O)OC 7a_100000210136_100009813843 [0,2,0,0,0,0|2,0,0]=4 6409 B18R0.171 CCOCCSCCCCCCCCCC(=O)OC 62a_100000210147_100009813843 [0,2,0,0,0,0|2,0,0]=4 6410 B18R0.171 CCOCSCCCCCCCCCCC(=O)OC 62a_100000739092_100009812566 [0,2,0,0,0,0|2,0,0]=4 6411 B18R0.171 CCSCCCOCCCCCCCCC(=O)OC 34a_100011216438_100010282707 [0,2,0,0,0,0|2,0,0]=4 6412 B18R0.171 CCSCCCOCCCCCCCCC(=O)OC 7a_100011216438_100010282707 [0,2,0,0,0,0|2,0,0]=4 6413 B18R0.171 CCSCCNCCCCCCCCCC(=O)OC 2230a_100000106463_100009813843 [0,2,0,0,0,0|2,0,0]=4 6414 B18R0.171 CCSCCOCCCCCCCCCC(=O)OC 34a_100000212035_100009813843 [0,2,0,0,0,0|2,0,0]=4 6415 B18R0.171 CCSCCOCCCCCCCCCC(=O)OC 7a_100000212035_100009813843 [0,2,0,0,0,0|2,0,0]=4 6416 B18R0.171 CCSCCSCCCCCCCCCC(=O)OC 62a_100000757381_100009813843 [0,2,0,0,0,0|2,0,0]=4 6417 B18R0.171 CNC(=O)CCCCCCCCCCCCCCO 240690a_100102657272_100000122395 [0,2,0,0,0,0|1,0,0]=3 6418 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 2230a_100000066964_100000741757 [0,2,0,0,0,0|2,0,0]=4 6419 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 2230a_100000740002_100009813290 [0,2,0,0,0,0|2,0,0]=4 6420 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000741757 [0,2,0,0,0,0|2,0,0]=4 6421 B18R0.171 CNC(=O)CCCNCCCCCCCCCCO 34a_100000740002_100009813290 [0,2,0,0,0,0|2,0,0]=4 6422 B18R0.171 CNC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100000741757 [0,2,0,0,0,0|2,0,0]=4 6423 B18R0.171 CNC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100000741757 [0,2,0,0,0,0|2,0,0]=4 6424 B18R0.171 CNC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100000741757 [0,2,0,0,0,0|2,0,0]=4 6425 B18R0.171 CNC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100000741757 [0,2,0,0,0,0|2,0,0]=4 6426 B18R0.171 CNC(=O)CCCOCCCCCCCCCCN 34a_100000066964_100000741757 [0,2,0,0,0,0|2,0,0]=4 6427 B18R0.171 CNC(=O)CCCSCCCCCCCCCCO 62a_100000741757_200000033068 [0,2,0,0,0,0|2,0,0]=4 6428 B18R0.171 CNC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100000741757 [0,2,0,0,0,0|2,0,0]=4 6429 B18R0.171 CNC(=O)CCNCCCCCCCCCCCO 2230a_100000738227_100009812471 [0,2,0,0,0,0|2,0,0]=4 6430 B18R0.171 CNC(=O)CCNCCCCCCCCCCCO 34a_100000738227_100009812471 [0,2,0,0,0,0|2,0,0]=4 6431 B18R0.171 CNC(=O)CCOCCCCCCCCCCCBr 34a_100009812471_100012179268 [0,2,0,0,0,0|2,0,0]=4 6432 B18R0.171 CNC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000737683 [0,2,0,0,0,0|2,0,0]=4 6433 B18R0.171 CNC(=O)CCOCCCCCCCCCCCO 34a_100000754576_100009812471 [0,2,0,0,0,0|2,0,0]=4 6434 B18R0.171 CNC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000737683 [0,2,0,0,0,0|2,0,0]=4 6435 B18R0.171 CNC(=O)CNCCCCCCCCCCCCO 2230a_100000066677_100000183359 [0,2,0,0,0,0|2,0,0]=4 6436 B18R0.171 CNC(=O)CNCCCCCCCCCCCCO 2230a_100000693194_100009813331 [0,2,0,0,0,0|2,0,0]=4 6437 B18R0.171 CNC(=O)CNCCCCCCCCCCCCO 34a_100000066677_100000183359 [0,2,0,0,0,0|2,0,0]=4 6438 B18R0.171 CNC(=O)COCCCCCCCCCCCCBr 34a_100009813331_100000183359 [0,2,0,0,0,0|2,0,0]=4 6439 B18R0.171 CNC(=O)COCCCCCCCCCCCCBr 7a_100009813331_100000183359 [0,2,0,0,0,0|2,0,0]=4 6440 B18R0.171 CNC(=O)COCCCCCCCCCCCCN 34a_100000066677_100000183359 [0,2,0,0,0,0|2,0,0]=4 6441 B18R0.171 CNC(=O)COCCCCCCCCCCCCO 34a_100000750040_100009813331 [0,2,0,0,0,0|2,0,0]=4 6442 B18R0.171 CNC(=O)CSCCCCCCCCCCCCO 62a_100009813331_100000183359 [0,2,0,0,0,0|2,0,0]=4 6443 B18R0.171 CNCCCCCOCCCCCCCC(=O)OC 34a_100000722520_100010004213 [0,2,0,0,0,0|2,0,0]=4 6444 B18R0.171 CNCCCOCCCCCCCCCC(=O)OC 34a_100000213112_100009813843 [0,2,0,0,0,0|2,0,0]=4 6445 B18R0.171 COC(=O)CCCCCCCCCCCNCCF 34a_100000724931_100010983606 [0,2,0,0,0,0|2,0,0]=4 6446 B18R0.171 COC(=O)CCCCCCCCCCCNCCO 2230a_100016997473_100010983606 [0,2,0,0,0,0|2,0,0]=4 6447 B18R0.171 COC(=O)CCCCCCCCCCCNCCO 34a_100016990907_100010983606 [0,2,0,0,0,0|2,0,0]=4 6448 B18R0.171 COC(=O)CCCCCCCCCCCOCCBr 34a_100000211926_100010983606 [0,2,0,0,0,0|2,0,0]=4 6449 B18R0.171 COC(=O)CCCCCCCCCCCOCCN 34a_100000210304_100010983606 [0,2,0,0,0,0|2,0,0]=4 6450 B18R0.171 COC(=O)CCCCCCCCCCCSCC=O 62a_200015260668_100010983606 [0,2,0,0,0,0|1,0,1]=4 6451 B18R0.171 COC(=O)CCCCCCCCCCCSCCF 62a_100011217306_100010983606 [0,2,0,0,0,0|2,0,0]=4 6452 B18R0.171 COC(=O)CCCCCCCCCCCSCCO 62a_100000211926_100010983606 [0,2,0,0,0,0|2,0,0]=4 6453 B18R0.171 COC(=O)CCCCCCCCCCNCCCF 2230a_100015189416_100009812566 [0,2,0,0,0,0|2,0,0]=4 6454 B18R0.171 COC(=O)CCCCCCCCCCNCCCF 34a_100015189416_100009812566 [0,2,0,0,0,0|2,0,0]=4 6455 B18R0.171 COC(=O)CCCCCCCCCCNCCSC 2230a_100020590264_100009812566 [0,2,0,0,0,0|2,0,0]=4 6456 B18R0.171 COC(=O)CCCCCCCCCCOCCCBr 34a_100011217188_100009812566 [0,2,0,0,0,0|2,0,0]=4 6457 B18R0.171 COC(=O)CCCCCCCCCCOCCCCl 34a_100000230001_100009812566 [0,2,0,0,0,0|2,0,0]=4 6458 B18R0.171 COC(=O)CCCCCCCCCCOCCCF 34a_100000759539_100009812566 [0,2,0,0,0,0|2,0,0]=4 6459 B18R0.171 COC(=O)CCCCCCCCCCOCCCF 34a_100011003013_100011934791 [0,2,0,0,0,0|2,0,0]=4 6460 B18R0.171 COC(=O)CCCCCCCCCCOCCCF 7a_100011003013_100011934791 [0,2,0,0,0,0|2,0,0]=4 6461 B18R0.171 COC(=O)CCCCCCCCCCOCCCN 34a_100000182051_100009812566 [0,2,0,0,0,0|2,0,0]=4 6462 B18R0.171 COC(=O)CCCCCCCCCCOCCCO 34a_100011003013_100000230001 [0,2,0,0,0,0|2,0,0]=4 6463 B18R0.171 COC(=O)CCCCCCCCCCOCCCO 7a_100011003013_100011215043 [0,2,0,0,0,0|2,0,0]=4 6464 B18R0.171 COC(=O)CCCCCCCCCCOCCSC 34a_100000230434_100009812566 [0,2,0,0,0,0|2,0,0]=4 6465 B18R0.171 COC(=O)CCCCCCCCCCOCCSC 34a_100011003013_100000212216 [0,2,0,0,0,0|2,0,0]=4 6466 B18R0.171 COC(=O)CCCCCCCCCCOCCSC 7a_100000230434_100009812566 [0,2,0,0,0,0|2,0,0]=4 6467 B18R0.171 COC(=O)CCCCCCCCCCOCCSC 7a_100011003013_100000212216 [0,2,0,0,0,0|2,0,0]=4 6468 B18R0.171 COC(=O)CCCCCCCCCCSCCCF 62a_100011934791_100009812566 [0,2,0,0,0,0|2,0,0]=4 6469 B18R0.171 COC(=O)CCCCCCCCCCSCCCO 62a_100011215043_100009812566 [0,2,0,0,0,0|2,0,0]=4 6470 B18R0.171 COC(=O)CCCCCCCCCCSCCSC 62a_100000212216_100009812566 [0,2,0,0,0,0|2,0,0]=4 6471 B18R0.171 COC(=O)CCCCCCCCCNCCCCO 2230a_100000750430_100009813843 [0,2,0,0,0,0|2,0,0]=4 6472 B18R0.171 COC(=O)CCCCCCCCCNCCCCO 34a_100000750430_100009813843 [0,2,0,0,0,0|2,0,0]=4 6473 B18R0.171 COC(=O)CCCCCCCCCNCCCSC 2230a_100000749238_100009813843 [0,2,0,0,0,0|2,0,0]=4 6474 B18R0.171 COC(=O)CCCCCCCCCOCCCCBr 34a_100011216708_100009813843 [0,2,0,0,0,0|2,0,0]=4 6475 B18R0.171 COC(=O)CCCCCCCCCOCCCCCl 34a_100000210776_100009813843 [0,2,0,0,0,0|2,0,0]=4 6476 B18R0.171 COC(=O)CCCCCCCCCOCCCCCl 7a_100000210776_100009813843 [0,2,0,0,0,0|2,0,0]=4 6477 B18R0.171 COC(=O)CCCCCCCCCOCCCCF 34a_100011995726_100009813843 [0,2,0,0,0,0|2,0,0]=4 6478 B18R0.171 COC(=O)CCCCCCCCCOCCCCF 7a_100011995726_100009813843 [0,2,0,0,0,0|2,0,0]=4 6479 B18R0.171 COC(=O)CCCCCCCCCOCCCCI 34a_200012148704_100009813843 [0,2,0,0,0,0|2,0,0]=4 6480 B18R0.171 COC(=O)CCCCCCCCCOCCCCN 34a_100000750430_100009813843 [0,2,0,0,0,0|2,0,0]=4 6481 B18R0.171 COC(=O)CCCCCCCCCOCCCSC 34a_100000690336_100009813843 [0,2,0,0,0,0|2,0,0]=4 6482 B18R0.171 COC(=O)CCCCCCCCCOCCCSC 7a_100000690336_100009813843 [0,2,0,0,0,0|2,0,0]=4 6483 B18R0.171 COC(=O)CCCCCCCCCSCCCC=O 62a_200011292268_100009813843 [0,2,0,0,0,0|1,0,1]=4 6484 B18R0.171 COC(=O)CCCCCCCCCSCCCCF 62a_100000729493_100009813843 [0,2,0,0,0,0|2,0,0]=4 6485 B18R0.171 COC(=O)CCCCCCCCCSCCCCO 62a_100000210776_100009813843 [0,2,0,0,0,0|2,0,0]=4 6486 B18R0.171 COC(=O)CCCCCCCCNCCCCCO 2230a_100000762737_100010282707 [0,2,0,0,0,0|2,0,0]=4 6487 B18R0.171 COC(=O)CCCCCCCCNCCCCCO 34a_100000762737_100010282707 [0,2,0,0,0,0|2,0,0]=4 6488 B18R0.171 COC(=O)CCCCCCCCOCCCCC=O 7a_100000035544_100000139335 [0,2,0,0,0,0|1,0,1]=4 6489 B18R0.171 COC(=O)CCCCCCCCOCCCCCBr 34a_100000746331_100010282707 [0,2,0,0,0,0|2,0,0]=4 6490 B18R0.171 COC(=O)CCCCCCCCOCCCCCBr 7a_100000746331_100010282707 [0,2,0,0,0,0|2,0,0]=4 6491 B18R0.171 COC(=O)CCCCCCCCOCCCCCCl 34a_100000746330_100010282707 [0,2,0,0,0,0|2,0,0]=4 6492 B18R0.171 COC(=O)CCCCCCCCOCCCCCCl 7a_100000746330_100010282707 [0,2,0,0,0,0|2,0,0]=4 6493 B18R0.171 COC(=O)CCCCCCCCOCCCCCF 34a_100000035544_100000729378 [0,2,0,0,0,0|2,0,0]=4 6494 B18R0.171 COC(=O)CCCCCCCCOCCCCCF 7a_100000035544_100000729378 [0,2,0,0,0,0|2,0,0]=4 6495 B18R0.171 COC(=O)CCCCCCCCOCCCCCI 34a_200012148887_100010282707 [0,2,0,0,0,0|2,0,0]=4 6496 B18R0.171 COC(=O)CCCCCCCCOCCCCCI 7a_200012148887_100010282707 [0,2,0,0,0,0|2,0,0]=4 6497 B18R0.171 COC(=O)CCCCCCCCOCCCCCN 34a_100000762737_100010282707 [0,2,0,0,0,0|2,0,0]=4 6498 B18R0.171 COC(=O)CCCCCCCCOCCCCCO 34a_100000035544_100000746330 [0,2,0,0,0,0|2,0,0]=4 6499 B18R0.171 COC(=O)CCCCCCCCOCCCCCO 7a_100000035544_100000746330 [0,2,0,0,0,0|2,0,0]=4 6500 B18R0.171 COC(=O)CCCCCCCCOCCCCSC 34a_100011217163_100010282707 [0,2,0,0,0,0|2,0,0]=4 6501 B18R0.171 COC(=O)CCCCCCCCOCCCCSC 7a_100011217163_100010282707 [0,2,0,0,0,0|2,0,0]=4 6502 B18R0.171 COC(=O)CCCCCCCCSCCCCC=O 62a_100000139335_100010282707 [0,2,0,0,0,0|1,0,1]=4 6503 B18R0.171 COC(=O)CCCCCCCCSCCCCC=O 62a_100010282707_100000139335 [0,2,0,0,0,0|1,0,1]=4 6504 B18R0.171 COC(=O)CCCCCCCCSCCCCCF 62a_100000729378_100010282707 [0,2,0,0,0,0|2,0,0]=4 6505 B18R0.171 COC(=O)CCCCCCCCSCCCCCF 62a_100010282707_100000729378 [0,2,0,0,0,0|2,0,0]=4 6506 B18R0.171 COC(=O)CCCCCCCCSCCCCCO 62a_100000746330_100010282707 [0,2,0,0,0,0|2,0,0]=4 6507 B18R0.171 COC(=O)CCCCCCCCSCCCCCO 62a_100010282707_100000746330 [0,2,0,0,0,0|2,0,0]=4 6508 B18R0.171 COC(=O)CCCCCCCNCCCCCCO 2230a_100000686447_100010004213 [0,2,0,0,0,0|2,0,0]=4 6509 B18R0.171 COC(=O)CCCCCCCNCCCCCCO 34a_100000686447_100010004213 [0,2,0,0,0,0|2,0,0]=4 6510 B18R0.171 COC(=O)CCCCCCCOCCCCCC=O 7a_100011022521_100000139337 [0,2,0,0,0,0|1,0,1]=4 6511 B18R0.171 COC(=O)CCCCCCCOCCCCCCBr 34a_100011215345_100010004213 [0,2,0,0,0,0|2,0,0]=4 6512 B18R0.171 COC(=O)CCCCCCCOCCCCCCBr 7a_100011215345_100010004213 [0,2,0,0,0,0|2,0,0]=4 6513 B18R0.171 COC(=O)CCCCCCCOCCCCCCCl 34a_100000766143_100010004213 [0,2,0,0,0,0|2,0,0]=4 6514 B18R0.171 COC(=O)CCCCCCCOCCCCCCCl 7a_100000766143_100010004213 [0,2,0,0,0,0|2,0,0]=4 6515 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 34a_100000732779_100010004213 [0,2,0,0,0,0|2,0,0]=4 6516 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 34a_100011022521_100015922095 [0,2,0,0,0,0|2,0,0]=4 6517 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 7a_100000732779_100010004213 [0,2,0,0,0,0|2,0,0]=4 6518 B18R0.171 COC(=O)CCCCCCCOCCCCCCF 7a_100011022521_100015922095 [0,2,0,0,0,0|2,0,0]=4 6519 B18R0.171 COC(=O)CCCCCCCOCCCCCCN 34a_100000686447_100010004213 [0,2,0,0,0,0|2,0,0]=4 6520 B18R0.171 COC(=O)CCCCCCCOCCCCCCO 34a_100011022521_100000766143 [0,2,0,0,0,0|2,0,0]=4 6521 B18R0.171 COC(=O)CCCCCCCOCCCCCCO 7a_100011022521_100000766143 [0,2,0,0,0,0|2,0,0]=4 6522 B18R0.171 COC(=O)CCCCCCCSCCCCCC=O 62a_100000139337_100010004213 [0,2,0,0,0,0|1,0,1]=4 6523 B18R0.171 COC(=O)CCCCCCCSCCCCCC=O 62a_100010004213_100000139337 [0,2,0,0,0,0|1,0,1]=4 6524 B18R0.171 COC(=O)CCCCCCCSCCCCCCF 62a_100010004213_100015922095 [0,2,0,0,0,0|2,0,0]=4 6525 B18R0.171 COC(=O)CCCCCCCSCCCCCCF 62a_100015922095_100010004213 [0,2,0,0,0,0|2,0,0]=4 6526 B18R0.171 COC(=O)CCCCCCCSCCCCCCO 62a_100000766143_100010004213 [0,2,0,0,0,0|2,0,0]=4 6527 B18R0.171 COC(=O)CCCCCCCSCCCCCCO 62a_100010004213_100000766143 [0,2,0,0,0,0|2,0,0]=4 6528 B18R0.171 COC(=O)CCCCCCNCCCCCCCO 2230a_100011996573_100009815986 [0,2,0,0,0,0|2,0,0]=4 6529 B18R0.171 COC(=O)CCCCCCNCCCCCCCO 34a_100011996573_100009815986 [0,2,0,0,0,0|2,0,0]=4 6530 B18R0.171 COC(=O)CCCCCCOCCCCCCCBr 34a_100000760002_100009815986 [0,2,0,0,0,0|2,0,0]=4 6531 B18R0.171 COC(=O)CCCCCCOCCCCCCCBr 7a_100000760002_100009815986 [0,2,0,0,0,0|2,0,0]=4 6532 B18R0.171 COC(=O)CCCCCCOCCCCCCCN 34a_100011996573_100009815986 [0,2,0,0,0,0|2,0,0]=4 6533 B18R0.171 COC(=O)CCCCCCOCCCCCCCO 34a_100009863599_100000760002 [0,2,0,0,0,0|2,0,0]=4 6534 B18R0.171 COC(=O)CCCCCCOCCCCCCCO 7a_100009863599_100000760002 [0,2,0,0,0,0|2,0,0]=4 6535 B18R0.171 COC(=O)CCCCCCSCCCCCCCO 62a_100000760002_100009815986 [0,2,0,0,0,0|2,0,0]=4 6536 B18R0.171 COC(=O)CCCCCCSCCCCCCCO 62a_100009815986_100000760002 [0,2,0,0,0,0|2,0,0]=4 6537 B18R0.171 COC(=O)CCCCCNCCCCCCCCO 2230a_102515433106_100009816466 [0,2,0,0,0,0|2,0,0]=4 6538 B18R0.171 COC(=O)CCCCCNCCCCCCCCO 34a_102515433106_100009816466 [0,2,0,0,0,0|2,0,0]=4 6539 B18R0.171 COC(=O)CCCCCOCCCCCCCCBr 34a_100009813846_100009816466 [0,2,0,0,0,0|2,0,0]=4 6540 B18R0.171 COC(=O)CCCCCOCCCCCCCCBr 7a_100009813846_100009816466 [0,2,0,0,0,0|2,0,0]=4 6541 B18R0.171 COC(=O)CCCCCOCCCCCCCCCl 34a_100000033203_100009816466 [0,2,0,0,0,0|2,0,0]=4 6542 B18R0.171 COC(=O)CCCCCOCCCCCCCCCl 7a_100000033203_100009816466 [0,2,0,0,0,0|2,0,0]=4 6543 B18R0.171 COC(=O)CCCCCOCCCCCCCCN 34a_102515433106_100009816466 [0,2,0,0,0,0|2,0,0]=4 6544 B18R0.171 COC(=O)CCCCCOCCCCCCCCO 34a_100000074720_100000033203 [0,2,0,0,0,0|2,0,0]=4 6545 B18R0.171 COC(=O)CCCCCOCCCCCCCCO 7a_100000074720_100000033203 [0,2,0,0,0,0|2,0,0]=4 6546 B18R0.171 COC(=O)CCCCCSCCCCCCCCO 62a_100000033203_100009816466 [0,2,0,0,0,0|2,0,0]=4 6547 B18R0.171 COC(=O)CCCCCSCCCCCCCCO 62a_100009816466_100000033203 [0,2,0,0,0,0|2,0,0]=4 6548 B18R0.171 COC(=O)CCCCNCCCCCCCCCO 2230a_100000078944_100000204269 [0,2,0,0,0,0|2,0,0]=4 6549 B18R0.171 COC(=O)CCCCNCCCCCCCCCO 34a_100000078944_100000204269 [0,2,0,0,0,0|2,0,0]=4 6550 B18R0.171 COC(=O)CCCCOCCCCCCCCCBr 34a_100009813782_100000204269 [0,2,0,0,0,0|2,0,0]=4 6551 B18R0.171 COC(=O)CCCCOCCCCCCCCCBr 7a_100009813782_100000204269 [0,2,0,0,0,0|2,0,0]=4 6552 B18R0.171 COC(=O)CCCCOCCCCCCCCCCl 34a_100009868337_100000204269 [0,2,0,0,0,0|2,0,0]=4 6553 B18R0.171 COC(=O)CCCCOCCCCCCCCCCl 7a_100009868337_100000204269 [0,2,0,0,0,0|2,0,0]=4 6554 B18R0.171 COC(=O)CCCCOCCCCCCCCCN 34a_100000078944_100000204269 [0,2,0,0,0,0|2,0,0]=4 6555 B18R0.171 COC(=O)CCCCOCCCCCCCCCO 34a_100000059025_100009813782 [0,2,0,0,0,0|2,0,0]=4 6556 B18R0.171 COC(=O)CCCCOCCCCCCCCCO 7a_100000059025_100009813782 [0,2,0,0,0,0|2,0,0]=4 6557 B18R0.171 COC(=O)CCCCSCCCCCCCCCO 62a_100000204269_100009813782 [0,2,0,0,0,0|2,0,0]=4 6558 B18R0.171 COC(=O)CCCCSCCCCCCCCCO 62a_100009813782_100000204269 [0,2,0,0,0,0|2,0,0]=4 6559 B18R0.171 COC(=O)CCCNCCCCCCCCCCO 2230a_100000066964_100011218270 [0,2,0,0,0,0|2,0,0]=4 6560 B18R0.171 COC(=O)CCCNCCCCCCCCCCO 34a_100000066964_100000742333 [0,2,0,0,0,0|2,0,0]=4 6561 B18R0.171 COC(=O)CCCOCCCCCCCCCCBr 34a_100009813290_100000742333 [0,2,0,0,0,0|2,0,0]=4 6562 B18R0.171 COC(=O)CCCOCCCCCCCCCCBr 7a_100009813290_100011218270 [0,2,0,0,0,0|2,0,0]=4 6563 B18R0.171 COC(=O)CCCOCCCCCCCCCCCl 34a_200000033068_100000742333 [0,2,0,0,0,0|2,0,0]=4 6564 B18R0.171 COC(=O)CCCOCCCCCCCCCCCl 7a_200000033068_100011218270 [0,2,0,0,0,0|2,0,0]=4 6565 B18R0.171 COC(=O)CCCOCCCCCCCCCCN 34a_100000066964_100000742333 [0,2,0,0,0,0|2,0,0]=4 6566 B18R0.171 COC(=O)CCCSCCCCCCCCCCO 62a_100009813290_100011218270 [0,2,0,0,0,0|2,0,0]=4 6567 B18R0.171 COC(=O)CCCSCCCCCCCCCCO 62a_100011218270_200000033068 [0,2,0,0,0,0|2,0,0]=4 6568 B18R0.171 COC(=O)CCOCCCCCCCCCCCBr 34a_100009812471_100000742370 [0,2,0,0,0,0|2,0,0]=4 6569 B18R0.171 COC(=O)CCOCCCCCCCCCCCBr 7a_100009812471_100000204255 [0,2,0,0,0,0|2,0,0]=4 6570 B18R0.171 COC(=O)CCSCCCCCCCCCCCO 62a_100009812471_100000204255 [0,2,0,0,0,0|2,0,0]=4 6571 B18R0.171 COC(=O)CNCCCCCCCCCCCCO 2230a_100000066677_100000747449 [0,2,0,0,0,0|2,0,0]=4 6572 B18R0.171 COC(=O)CNCCCCCCCCCCCCO 34a_100000066677_100000747449 [0,2,0,0,0,0|2,0,0]=4 6573 B18R0.171 COC(=O)COCCCCCCCCCCCCBr 34a_100009813331_100000747449 [0,2,0,0,0,0|2,0,0]=4 6574 B18R0.171 COC(=O)COCCCCCCCCCCCCBr 7a_100009813331_100000747449 [0,2,0,0,0,0|2,0,0]=4 6575 B18R0.171 COC(=O)COCCCCCCCCCCCCN 34a_100000066677_100000747449 [0,2,0,0,0,0|2,0,0]=4 6576 B18R0.171 COC(=O)CSCCCCCCCCCCCCO 62a_100009813331_100000747449 [0,2,0,0,0,0|2,0,0]=4 6577 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 34a_100009863599_100011998445 [0,2,0,0,0,0|2,0,0]=4 6578 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 34a_200012092642_100009815986 [0,2,0,0,0,0|2,0,0]=4 6579 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 7a_100009863599_100011998445 [0,2,0,0,0,0|2,0,0]=4 6580 B18R0.171 COCCCCCCOCCCCCCC(=O)OC 7a_200012092642_100009815986 [0,2,0,0,0,0|2,0,0]=4 6581 B18R0.171 COCCCCCCSCCCCCCC(=O)OC 62a_100009815986_100011998445 [0,2,0,0,0,0|2,0,0]=4 6582 B18R0.171 COCCCCCCSCCCCCCC(=O)OC 62a_100011998445_100009815986 [0,2,0,0,0,0|2,0,0]=4 6583 B18R0.171 COCCCCCNCCCCCCCC(=O)OC 2230a_100000747528_100010004213 [0,2,0,0,0,0|2,0,0]=4 6584 B18R0.171 COCCCCCNCCCCCCCC(=O)OC 34a_100000747528_100010004213 [0,2,0,0,0,0|2,0,0]=4 6585 B18R0.171 COCCCCOCCCCCCCCC(=O)OC 34a_100000035544_100000755781 [0,2,0,0,0,0|2,0,0]=4 6586 B18R0.171 COCCCCOCCCCCCCCC(=O)OC 34a_100000740925_100010282707 [0,2,0,0,0,0|2,0,0]=4 6587 B18R0.171 COCCCCOCCCCCCCCC(=O)OC 7a_100000035544_100000730899 [0,2,0,0,0,0|2,0,0]=4 6588 B18R0.171 COCCCCSCCCCCCCCC(=O)OC 62a_100000730899_100010282707 [0,2,0,0,0,0|2,0,0]=4 6589 B18R0.171 COCCCCSCCCCCCCCC(=O)OC 62a_100010282707_100000730899 [0,2,0,0,0,0|2,0,0]=4 6590 B18R0.171 COCCCNCCCCCCCCCC(=O)OC 34a_100150723488_100009813843 [0,2,0,0,0,0|2,0,0]=4 6591 B18R0.171 COCCCOCCCCCCCCCC(=O)OC 34a_100000740835_100009813843 [0,2,0,0,0,0|2,0,0]=4 6592 B18R0.171 COCCCSCCCCCCCCCC(=O)OC 62a_100000709357_100009813843 [0,2,0,0,0,0|2,0,0]=4 6593 B18R0.171 COCCNCCCCCCCCCCC(=O)OC 2230a_100000209980_100009812566 [0,2,0,0,0,0|2,0,0]=4 6594 B18R0.171 COCCOCCCCCCCCCCC(=O)OC 34a_100000210237_100009812566 [0,2,0,0,0,0|2,0,0]=4 6595 B18R0.171 COCCOCCCCCCCCCCC(=O)OC 34a_100011003013_100011201679 [0,2,0,0,0,0|2,0,0]=4 6596 B18R0.171 COCCOCCCCCCCCCCC(=O)OC 7a_100011003013_100000233755 [0,2,0,0,0,0|2,0,0]=4 6597 B18R0.171 COCCSCCCCCCCCCCC(=O)OC 62a_100000233755_100009812566 [0,2,0,0,0,0|2,0,0]=4 6598 B18R0.171 COCSCCCCCCCCCCCC(=O)OC 62a_100000766300_100010983606 [0,2,0,0,0,0|2,0,0]=4 6599 B18R0.171 NNC(=O)CCCOCCCCCCCCCCO 34a_100000211488_100009813290 [0,2,0,0,0,0|2,0,0]=4 6600 B18R0.174 C=CCCCCCCCCCCNCC(O)C(C)C 2230a_100000759067_100011093070 [0,2,0,0,0,0|2,0,0]=4 6601 B18R0.174 C=CCCCCCCCCCCNCC(O)C(C)C 34a_100000759067_100011093070 [0,2,0,0,0,0|2,0,0]=4 6602 B18R0.174 C=CCCCCCCCCCCOC[C@H](N)C(C)C 34a_100011830312_100011093070 [0,2,0,0,0,0|2,0,0]=4 6603 B18R0.174 C=CCCCCCCCCCOCCC(N)C(C)C 34a_100161115045_100009814027 [0,2,0,0,0,0|2,0,0]=4 6604 B18R0.174 CC(=O)C(C)COCCCCCCCCCCCO 34a_100000032740_100009812471 [0,2,0,0,0,0|2,0,0]=4 6605 B18R0.174 CC(=O)C(C)COCCCCCCCCCCCO 7a_100000032740_100009812471 [0,2,0,0,0,0|2,0,0]=4 6606 B18R0.174 CC(=O)C(C)NCCCCCCCCCCCCO 2230a_100000066677_100009814033 [0,2,0,0,0,0|2,0,0]=4 6607 B18R0.174 CC(=O)C(C)OCCCCCCCCCCCCO 34a_100000212229_100009813331 [0,2,0,0,0,0|2,0,0]=4 6608 B18R0.174 CC(=O)C(C)SCCCCCCCCCCCCO 62a_100009813331_100009814033 [0,2,0,0,0,0|2,0,0]=4 6609 B18R0.174 CC(CNCCCCCCCCCCCO)C(=O)O 269956a_100000749485_100009812471 [0,2,0,0,0,0|2,0,0]=4 6610 B18R0.174 CC(NCCCCCCCCCCCCO)C(=O)N 2230a_100000066677_100000702099 [0,2,0,0,0,0|2,0,0]=4 6611 B18R0.174 CC(NCCCCCCCCCCCCO)C(=O)N 34a_100000066677_100000702099 [0,2,0,0,0,0|2,0,0]=4 6612 B18R0.174 CC(OCCCCCCCCCCCCBr)C(=O)N 34a_100009813331_100000702099 [0,2,0,0,0,0|2,0,0]=4 6613 B18R0.174 CC(OCCCCCCCCCCCCBr)C(=O)N 7a_100009813331_100000702099 [0,2,0,0,0,0|2,0,0]=4 6614 B18R0.174 CC(OCCCCCCCCCCCCN)C(=O)N 34a_100000066677_100000702099 [0,2,0,0,0,0|2,0,0]=4 6615 B18R0.174 CC(SCCCCCCCCCCCCO)C(=O)N 62a_100009813331_100000702099 [0,2,0,0,0,0|2,0,0]=4 6616 B18R0.174 CCCCCCCCCCCCCNC(=O)C(=O)N 240690a_100011215765_100011215815 [0,2,0,0,0,0|1,0,1]=4 6617 B18R0.174 CCCCCCCCCCCCCNC(C)C(=O)C 2230a_100011215765_100009814033 [0,2,0,0,0,0|1,0,0]=3 6618 B18R0.174 CCCCCCCCCCCCCNC(C)C(=O)N 2230a_100011215765_100000702099 [0,2,0,0,0,0|1,0,0]=3 6619 B18R0.174 CCCCCCCCCCCCCNC(C)C(=O)N 34a_100011215765_100000702099 [0,2,0,0,0,0|1,0,0]=3 6620 B18R0.174 CCCCCCCCCCCCCNC(F)C(=O)N 2230a_100011215765_100009813875 [0,2,0,0,0,0|1,0,0]=3 6621 B18R0.174 CCCCCCCCCCCCCNC(F)C(=O)N 34a_100011215765_100009813875 [0,2,0,0,0,0|1,0,0]=3 6622 B18R0.174 CCCCCCCCCCCCCNC(F)C(=O)[O-] 34a_100011215765_100020610796 [0,2,0,0,0,0|1,0,0]=3 6623 B18R0.174 CCCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210684 [0,2,0,0,0,0|1,0,0]=3 6624 B18R0.174 CCCCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210684 [0,2,0,0,0,0|1,0,0]=3 6625 B18R0.174 CCCCCCCCCCCCCN[C@H](C)C(=O)N 270004a_100000119354_200011215488 [0,2,0,0,0,0|1,0,0]=3 6626 B18R0.174 CCCCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210684 [0,2,0,0,0,0|1,0,0]=3 6627 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)N 34a_100000185773_100000702099 [0,2,0,0,0,0|1,0,0]=3 6628 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)N 7a_100000185773_100000702099 [0,2,0,0,0,0|1,0,0]=3 6629 B18R0.174 CCCCCCCCCCCCCOC(F)C(=O)N 34a_100000185773_100009813875 [0,2,0,0,0,0|1,0,0]=3 6630 B18R0.174 CCCCCCCCCCCCCOC(F)C(=O)N 7a_100000185773_100009813875 [0,2,0,0,0,0|1,0,0]=3 6631 B18R0.174 CCCCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000185773_100020610796 [0,2,0,0,0,0|1,0,0]=3 6632 B18R0.174 CCCCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210684 [0,2,0,0,0,0|1,0,0]=3 6633 B18R0.174 CCCCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210684 [0,2,0,0,0,0|1,0,0]=3 6634 B18R0.174 CCCCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210684 [0,2,0,0,0,0|1,0,0]=3 6635 B18R0.174 CCCCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100011934334 [0,2,0,0,0,0|1,0,0]=3 6636 B18R0.174 CCCCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100011934334 [0,2,0,0,0,0|1,0,0]=3 6637 B18R0.174 CCCCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011934334 [0,2,0,0,0,0|1,0,0]=3 6638 B18R0.174 CCCCCCCCCCCCNCC(=O)C(=O)C 34a_100000210451_100011261029 [0,2,0,0,0,0|1,0,1]=4 6639 B18R0.174 CCCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000759014 [0,2,0,0,0,0|1,0,0]=3 6640 B18R0.174 CCCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000759014 [0,2,0,0,0,0|1,0,0]=3 6641 B18R0.174 CCCCCCCCCCCCOCC(=O)C(=O)C 34a_100000210810_100011261029 [0,2,0,0,0,0|1,0,1]=4 6642 B18R0.174 CCCCCCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000759014 [0,2,0,0,0,0|2,0,0]=4 6643 B18R0.174 CCCCCCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000759014 [0,2,0,0,0,0|2,0,0]=4 6644 B18R0.174 CCCCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000759014 [0,2,0,0,0,0|1,0,0]=3 6645 B18R0.174 CCCCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000759014 [0,2,0,0,0,0|1,0,1]=4 6646 B18R0.174 CCCCCCCCCCSCCOC(C)C(=O)C 7a_100011628728_100000179758 [0,2,0,0,0,0|2,0,0]=4 6647 B18R0.174 CCCCCCCCCCSCCOC(C)C(=O)N 34a_100011628728_100000702099 [0,2,0,0,0,0|2,0,0]=4 6648 B18R0.174 CCCCCCCCCCSCCOC(C)C(=O)N 7a_100011628728_100000702099 [0,2,0,0,0,0|2,0,0]=4 6649 B18R0.174 CCCCCCCCCCSCCOC(F)C(=O)N 34a_100011628728_100009813875 [0,2,0,0,0,0|2,0,0]=4 6650 B18R0.174 CCCCCCCCCCSCCOC(F)C(=O)N 7a_100011628728_100009813875 [0,2,0,0,0,0|2,0,0]=4 6651 B18R0.174 CCCCCCCCCCSCCOC(F)C(=O)[O-] 34a_100011628728_100020610796 [0,2,0,0,0,0|2,0,0]=4 6652 B18R0.174 C[C@@H](NCCCCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813331 [0,2,0,0,0,0|2,0,0]=4 6653 B18R0.174 C[C@@H](NCCCCCCCCCCCCO)C(=O)N 34a_100000119354_100009813331 [0,2,0,0,0,0|2,0,0]=4 6654 B18R0.174 C[C@@H](OCCCCCCCCCCCCO)C(=O)N 34a_100000731257_100009813331 [0,2,0,0,0,0|2,0,0]=4 6655 B18R0.174 C[C@@H](OCCCCCCCCCCCCO)C(=O)N 7a_100000731257_100009813331 [0,2,0,0,0,0|2,0,0]=4 6656 B18R0.174 C[C@H](NCCCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813331 [0,2,0,0,0,0|2,0,0]=4 6657 B18R0.174 C[C@H](OCCCCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813331 [0,2,0,0,0,0|2,0,0]=4 6658 B18R0.174 NC(=O)C(F)NCCCCCCCCCCCCO 2230a_100000066677_100009813875 [0,2,0,0,0,0|2,0,0]=4 6659 B18R0.174 NC(=O)C(F)NCCCCCCCCCCCCO 34a_100000066677_100009813875 [0,2,0,0,0,0|2,0,0]=4 6660 B18R0.174 NC(=O)C(F)OCCCCCCCCCCCCBr 34a_100009813331_100009813875 [0,2,0,0,0,0|2,0,0]=4 6661 B18R0.174 NC(=O)C(F)OCCCCCCCCCCCCBr 7a_100009813331_100009813875 [0,2,0,0,0,0|2,0,0]=4 6662 B18R0.174 NC(=O)C(F)SCCCCCCCCCCCCO 62a_100009813331_100009813875 [0,2,0,0,0,0|2,0,0]=4 6663 B18R0.174 NC(=O)[C@@H](N)COCCCCCCCCCCCO 34a_100000729942_100009812471 [0,2,0,0,0,0|2,0,0]=4 6664 B18R0.174 NCCCCCCCCCCCCOC(F)C(=O)N 34a_100000066677_100009813875 [0,2,0,0,0,0|2,0,0]=4 6665 B18R0.174 NCCCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000066677_100020610796 [0,2,0,0,0,0|2,0,0]=4 6666 B18R0.174 O=C(O)C(F)CNCCCCCCCCCCCO 269956a_100000084737_100009812471 [0,2,0,0,0,0|2,0,0]=4 6667 B18R0.174 O=C([O-])C(F)NCCCCCCCCCCCCO 34a_100000066677_100020610796 [0,2,0,0,0,0|2,0,0]=4 6668 B18R0.174 O=C([O-])C(F)OCCCCCCCCCCCCBr 34a_100009813331_100020610796 [0,2,0,0,0,0|2,0,0]=4 6669 B18R0.174 O=C([O-])C(F)SCCCCCCCCCCCCO 62a_100009813331_100020610796 [0,2,0,0,0,0|2,0,0]=4 6670 B18R0.176 C#CCCCCCCCCCCOCCCC(=O)C 34a_100000054667_100000685027 [0,2,0,0,0,0|0,0,2]=4 6671 B18R0.176 C#CCCCCCCCCCCOCCCC(=O)C 7a_100000054667_100011215641 [0,2,0,0,0,0|0,0,2]=4 6672 B18R0.176 C#CCCCCCCCCCCOCCCC(=O)N 34a_100000054667_100102525003 [0,2,0,0,0,0|0,0,2]=4 6673 B18R0.176 C#CCCCCCCCCCCOCCCC(=O)N 7a_100000054667_100102525003 [0,2,0,0,0,0|0,0,2]=4 6674 B18R0.176 C#CCCCCCCCCCCOCCCC(C)O 34a_100000054667_200000718107 [0,2,0,0,0,0|1,0,1]=4 6675 B18R0.176 C#CCCCCCCCCCCOCCCC(C)O 7a_100000054667_200000718107 [0,2,0,0,0,0|1,0,1]=4 6676 B18R0.176 C#CCCCCCCCCCOCCCCC(=O)C 34a_100000034437_100009817362 [0,2,0,0,0,0|0,0,2]=4 6677 B18R0.176 C#CCCCCCCCCCOCCCCC(=O)C 7a_100000034437_100000735457 [0,2,0,0,0,0|0,0,2]=4 6678 B18R0.176 C#CCCCCCCCCOCCCCCC(=O)N 34a_100000065265_100009817443 [0,2,0,0,0,0|0,0,2]=4 6679 B18R0.176 C#CCCCCCCCCOCCCCCC(=O)N 7a_100000065265_100009817443 [0,2,0,0,0,0|0,0,2]=4 6680 B18R0.176 C#CCCCNCCCCCCCCCCC(=O)N 34a_100000718082_200010167045 [0,2,0,0,0,0|0,0,2]=4 6681 B18R0.176 C#CCCCOCCCCCCCCCCC(=O)N 34a_100000215630_200010167045 [0,2,0,0,0,0|0,0,2]=4 6682 B18R0.176 C#CCCCOCCCCCCCCCCC(=O)N 7a_100000215630_200010167045 [0,2,0,0,0,0|0,0,2]=4 6683 B18R0.176 C#CCCCSCCCCCCCCCCC(=O)N 62a_100011215417_200010167045 [0,2,0,0,0,0|0,0,2]=4 6684 B18R0.176 C#CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100011215417 [0,2,0,0,0,0|0,0,2]=4 6685 B18R0.176 C/C=C/CCOCCCCCCCCCCC(=O)N 34a_100016278192_200010167045 [0,2,0,0,0,0|0,0,2]=4 6686 B18R0.176 CC#CCCOCCCCCCCCCCC(=O)N 34a_100000750427_200010167045 [0,2,0,0,0,0|0,0,2]=4 6687 B18R0.176 CC(=O)NCCCCCCNCCCCCCCO 2230a_200011996284_100000760002 [0,2,0,0,0,0|2,0,0]=4 6688 B18R0.176 CC(=O)NCCCCCCNCCCCCCCO 34a_200011996284_100000760002 [0,2,0,0,0,0|2,0,0]=4 6689 B18R0.176 CC(=O)NCCCCCNCCCCCCCCO 2230a_200012022750_100000033203 [0,2,0,0,0,0|2,0,0]=4 6690 B18R0.176 CC(=O)NCCCCCNCCCCCCCCO 34a_200012022750_100000033203 [0,2,0,0,0,0|2,0,0]=4 6691 B18R0.176 CC(=O)NCCCCNCCCCCCCCCO 2230a_200011368371_100009813782 [0,2,0,0,0,0|2,0,0]=4 6692 B18R0.176 CC(=O)NCCCCNCCCCCCCCCO 34a_200011368371_100009813782 [0,2,0,0,0,0|2,0,0]=4 6693 B18R0.176 CC(=O)NCCCNCCCCCCCCCCO 34a_100000736810_100009813290 [0,2,0,0,0,0|2,0,0]=4 6694 B18R0.176 CC(=O)NCCCOCCCCCCCCCCO 34a_100000752032_100009813290 [0,2,0,0,0,0|2,0,0]=4 6695 B18R0.176 CC(=O)NCCNCCCCCCCCCCCO 2230a_100000209853_100009812471 [0,2,0,0,0,0|2,0,0]=4 6696 B18R0.176 CC(=O)NCCOCCCCCCCCCCCBr 7a_100009812471_100000189650 [0,2,0,0,0,0|2,0,0]=4 6697 B18R0.176 CC(=O)NCCOCCCCCCCCCCCO 34a_100000158858_100009812471 [0,2,0,0,0,0|2,0,0]=4 6698 B18R0.176 CC(=O)NCCSCCCCCCCCCCCO 62a_100009812471_100000189650 [0,2,0,0,0,0|2,0,0]=4 6699 B18R0.176 CC(=O)OCCCCCNCCCCCCCCO 2230a_102515433106_100009813381 [0,2,0,0,0,0|2,0,0]=4 6700 B18R0.176 CC(=O)OCCCCCNCCCCCCCCO 34a_102515433106_100000033007 [0,2,0,0,0,0|2,0,0]=4 6701 B18R0.176 CC(=O)OCCCCCOCCCCCCCCBr 34a_100009813846_100000033007 [0,2,0,0,0,0|2,0,0]=4 6702 B18R0.176 CC(=O)OCCCCCOCCCCCCCCBr 7a_100009813846_100000033007 [0,2,0,0,0,0|2,0,0]=4 6703 B18R0.176 CC(=O)OCCCCCOCCCCCCCCCl 34a_100000033203_100000033007 [0,2,0,0,0,0|2,0,0]=4 6704 B18R0.176 CC(=O)OCCCCCOCCCCCCCCCl 7a_100000033203_100000033007 [0,2,0,0,0,0|2,0,0]=4 6705 B18R0.176 CC(=O)OCCCCCOCCCCCCCCN 34a_102515433106_100000033007 [0,2,0,0,0,0|2,0,0]=4 6706 B18R0.176 CC(=O)OCCCCCSCCCCCCCCO 62a_100000033007_100000033203 [0,2,0,0,0,0|2,0,0]=4 6707 B18R0.176 CC(=O)OCCCCCSCCCCCCCCO 62a_100000033203_100000033007 [0,2,0,0,0,0|2,0,0]=4 6708 B18R0.176 CC(=O)OCCCCNCCCCCCCCCO 34a_100000078944_100000033659 [0,2,0,0,0,0|2,0,0]=4 6709 B18R0.176 CC(=O)OCCCCOCCCCCCCCCBr 34a_100009813782_100000033659 [0,2,0,0,0,0|2,0,0]=4 6710 B18R0.176 CC(=O)OCCCCOCCCCCCCCCBr 7a_100009813782_100000033659 [0,2,0,0,0,0|2,0,0]=4 6711 B18R0.176 CC(=O)OCCCCOCCCCCCCCCCl 34a_100009868337_100000033659 [0,2,0,0,0,0|2,0,0]=4 6712 B18R0.176 CC(=O)OCCCCOCCCCCCCCCCl 7a_100009868337_100000033659 [0,2,0,0,0,0|2,0,0]=4 6713 B18R0.176 CC(=O)OCCCCOCCCCCCCCCN 34a_100000078944_100000033659 [0,2,0,0,0,0|2,0,0]=4 6714 B18R0.176 CC(=O)OCCCCOCCCCCCCCCO 34a_100000073216_100009813782 [0,2,0,0,0,0|2,0,0]=4 6715 B18R0.176 CC(=O)OCCCCOCCCCCCCCCO 7a_100000073216_100009813782 [0,2,0,0,0,0|2,0,0]=4 6716 B18R0.176 CC(=O)OCCCCSCCCCCCCCCO 62a_100000033659_100009813782 [0,2,0,0,0,0|2,0,0]=4 6717 B18R0.176 CC(=O)OCCCCSCCCCCCCCCO 62a_100009813782_100000033659 [0,2,0,0,0,0|2,0,0]=4 6718 B18R0.176 CC(=O)OCCCNCCCCCCCCCCO 34a_100000066964_100000042594 [0,2,0,0,0,0|2,0,0]=4 6719 B18R0.176 CC(=O)OCCCOCCCCCCCCCCBr 34a_100009813290_100000042594 [0,2,0,0,0,0|2,0,0]=4 6720 B18R0.176 CC(=O)OCCCOCCCCCCCCCCBr 7a_100009813290_100000042594 [0,2,0,0,0,0|2,0,0]=4 6721 B18R0.176 CC(=O)OCCCOCCCCCCCCCCCl 34a_200000033068_100000042594 [0,2,0,0,0,0|2,0,0]=4 6722 B18R0.176 CC(=O)OCCCOCCCCCCCCCCCl 7a_200000033068_100000042594 [0,2,0,0,0,0|2,0,0]=4 6723 B18R0.176 CC(=O)OCCCOCCCCCCCCCCN 34a_100000066964_100000042594 [0,2,0,0,0,0|2,0,0]=4 6724 B18R0.176 CC(=O)OCCCSCCCCCCCCCCO 62a_100000042594_200000033068 [0,2,0,0,0,0|2,0,0]=4 6725 B18R0.176 CC(=O)OCCCSCCCCCCCCCCO 62a_100009813290_100000042594 [0,2,0,0,0,0|2,0,0]=4 6726 B18R0.176 CC(=O)OCCOCCCCCCCCCCCBr 34a_100009812471_100009814007 [0,2,0,0,0,0|2,0,0]=4 6727 B18R0.176 CC(=O)OCCOCCCCCCCCCCCBr 7a_100009812471_100009814007 [0,2,0,0,0,0|2,0,0]=4 6728 B18R0.176 CC(=O)OCCSCCCCCCCCCCCO 62a_100009812471_100009814007 [0,2,0,0,0,0|2,0,0]=4 6729 B18R0.176 CC(=O)OCNCCCCCCCCCCCCO 34a_100000066677_100009813279 [0,2,0,0,0,0|2,0,0]=4 6730 B18R0.176 CC(=O)OCOCCCCCCCCCCCCBr 34a_100009813331_100009813279 [0,2,0,0,0,0|2,0,0]=4 6731 B18R0.176 CC(=O)OCOCCCCCCCCCCCCN 34a_100000066677_100009813279 [0,2,0,0,0,0|2,0,0]=4 6732 B18R0.176 CC(=O)OCSCCCCCCCCCCCCO 62a_100009813331_100000076356 [0,2,0,0,0,0|2,0,0]=4 6733 B18R0.176 CC(=O)SCCCCCCCCCCCNCCF 34a_100000724931_100010140907 [0,2,0,0,0,0|2,0,0]=4 6734 B18R0.176 CC(=O)SCCCCCCCCCCCNCCO 2230a_100016997473_100010140907 [0,2,0,0,0,0|2,0,0]=4 6735 B18R0.176 CC(=O)SCCCCCCCCCCCNCCO 34a_100016990907_100010140907 [0,2,0,0,0,0|2,0,0]=4 6736 B18R0.176 CC(=O)SCCCCCCCCCCCOCCN 34a_100000210304_100010140907 [0,2,0,0,0,0|2,0,0]=4 6737 B18R0.176 CC(=O)SCCCCCCCCCCCSCC=O 62a_100010140907_200015260668 [0,2,0,0,0,0|1,0,1]=4 6738 B18R0.176 CC(=O)SCCCCCCCCCCCSCC=O 62a_200015260668_100010140907 [0,2,0,0,0,0|1,0,1]=4 6739 B18R0.176 CC(=O)SCCCCCCCCCCCSCCO 62a_100000211926_100010140907 [0,2,0,0,0,0|2,0,0]=4 6740 B18R0.176 CC(=O)SCCCCCCCCCCCSCCO 62a_100010140907_100000211926 [0,2,0,0,0,0|2,0,0]=4 6741 B18R0.176 CC(=O)SCCCCNCCCCCCCCCO 2230a_100000078944_200010402107 [0,2,0,0,0,0|2,0,0]=4 6742 B18R0.176 CC(=O)SCCCCNCCCCCCCCCO 34a_100000078944_200010402107 [0,2,0,0,0,0|2,0,0]=4 6743 B18R0.176 CC(=O)SCCCCOCCCCCCCCCN 34a_100000078944_200010402107 [0,2,0,0,0,0|2,0,0]=4 6744 B18R0.176 CC(=O)SCCCCSCCCCCCCCCO 62a_100009813782_200010402107 [0,2,0,0,0,0|2,0,0]=4 6745 B18R0.176 CC(=O)SCCCCSCCCCCCCCCO 62a_200010402107_100009813782 [0,2,0,0,0,0|2,0,0]=4 6746 B18R0.176 CC(=O)SCCCNCCCCCCCCCCO 2230a_100000066964_100000038929 [0,2,0,0,0,0|2,0,0]=4 6747 B18R0.176 CC(=O)SCCCNCCCCCCCCCCO 34a_100000066964_100000038929 [0,2,0,0,0,0|2,0,0]=4 6748 B18R0.176 CC(=O)SCCCOCCCCCCCCCCN 34a_100000066964_100000038929 [0,2,0,0,0,0|2,0,0]=4 6749 B18R0.176 CC(=O)SCCCSCCCCCCCCCCO 62a_100000038929_200000033068 [0,2,0,0,0,0|2,0,0]=4 6750 B18R0.176 CC(=O)SCCCSCCCCCCCCCCO 62a_100009813290_100000038929 [0,2,0,0,0,0|2,0,0]=4 6751 B18R0.176 CC/C=C/CCCCCCCCCCOCC(=O)N 34a_200025759790_100000187820 [0,2,0,0,0,0|0,0,2]=4 6752 B18R0.176 CC/C=C/CCCCCCCCCCOCC(=O)N 7a_200025759790_100000187820 [0,2,0,0,0,0|0,0,2]=4 6753 B18R0.176 CC/C=C/CCCCCCCCCCOCC(=O)[O-] 34a_200025759790_100020667443 [0,2,0,0,0,0|0,0,2]=4 6754 B18R0.176 CC/C=C\CCCCCCCNCCCCC(=O)N 269862a_100000696515_200025770492 [0,2,0,0,0,0|0,0,2]=4 6755 B18R0.176 CC/C=C\COCCCCCCCCCCC(=O)N 34a_100016268518_200010167045 [0,2,0,0,0,0|0,0,2]=4 6756 B18R0.176 CC/C=C\CSCCCCCCCCCCC(=O)N 62a_100103147603_200010167045 [0,2,0,0,0,0|0,0,2]=4 6757 B18R0.176 CC/C=C\CSCCCCCCCCCCC(=O)N 62a_200010167045_100103147603 [0,2,0,0,0,0|0,0,2]=4 6758 B18R0.176 CCC#CCCCCCCCCOCCCC(=O)C 34a_200000031908_100000685027 [0,2,0,0,0,0|0,0,2]=4 6759 B18R0.176 CCC#CCCCCCCCCOCCCC(=O)C 7a_200000031908_100011215641 [0,2,0,0,0,0|0,0,2]=4 6760 B18R0.176 CCC#CCCCCCCCCOCCCC(=O)N 34a_200000031908_100102525003 [0,2,0,0,0,0|0,0,2]=4 6761 B18R0.176 CCC#CCCCCCCCCOCCCC(=O)N 7a_200000031908_100102525003 [0,2,0,0,0,0|0,0,2]=4 6762 B18R0.176 CCC#CCCCCCCOCCCCCC(=O)N 34a_100000123541_200000036426 [0,2,0,0,0,0|0,0,2]=4 6763 B18R0.176 CCC#CCCCCCCOCCCCCC(=O)N 7a_100000123541_200000036426 [0,2,0,0,0,0|0,0,2]=4 6764 B18R0.176 CCC#CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_200000036426 [0,2,0,0,0,0|0,0,2]=4 6765 B18R0.176 CCC#CCCCCCCSCCCCCC(=O)N 62a_100009817443_200000036426 [0,2,0,0,0,0|0,0,2]=4 6766 B18R0.176 CCC#CCCCCCCSCCCCCC(=O)N 62a_200000036426_100009817443 [0,2,0,0,0,0|0,0,2]=4 6767 B18R0.176 CCC#CCOCCCCCCCCCCC(=O)N 34a_100000032950_200010167045 [0,2,0,0,0,0|0,0,2]=4 6768 B18R0.176 CCC#CCSCCCCCCCCCCC(=O)N 62a_100009813939_200010167045 [0,2,0,0,0,0|0,0,2]=4 6769 B18R0.176 CCC#CCSCCCCCCCCCCC(=O)N 62a_200010167045_100009813939 [0,2,0,0,0,0|0,0,2]=4 6770 B18R0.176 CCCC/C=C/CCCCOCCCCCC(=O)N 34a_200020645093_100009817443 [0,2,0,0,0,0|0,0,2]=4 6771 B18R0.176 CCCC/C=C/CCCCOCCCCCC(=O)N 7a_200020645093_100009817443 [0,2,0,0,0,0|0,0,2]=4 6772 B18R0.176 CCCC/C=C\CCCCCCCCOCC(=O)N 34a_100020587526_100000187820 [0,2,0,0,0,0|0,0,2]=4 6773 B18R0.176 CCCC/C=C\CCCCCCCCOCC(=O)N 7a_100020587526_100000187820 [0,2,0,0,0,0|0,0,2]=4 6774 B18R0.176 CCCC/C=C\CCCCCCCCOCC(=O)[O-] 34a_100020587526_100020667443 [0,2,0,0,0,0|0,0,2]=4 6775 B18R0.176 CCCCC#CCCCCCCNCCCC(=O)N 34a_100000739312_200000043322 [0,2,0,0,0,0|0,0,2]=4 6776 B18R0.176 CCCCC#CCCCCCCOCCCC(=O)C 34a_100000759063_200000043322 [0,2,0,0,0,0|0,0,2]=4 6777 B18R0.176 CCCCC#CCCCCCCOCCCC(=O)C 7a_100000759063_200000043322 [0,2,0,0,0,0|0,0,2]=4 6778 B18R0.176 CCCCC#CCCCCCCSCCCC(=O)N 62a_100102525003_200000043322 [0,2,0,0,0,0|0,0,2]=4 6779 B18R0.176 CCCCC#CCCCCCCSCCCC(=O)N 62a_200000043322_100102525003 [0,2,0,0,0,0|0,0,2]=4 6780 B18R0.176 CCCCC#CCCCCOCCCCCC(=O)N 34a_200000066234_100009817443 [0,2,0,0,0,0|0,0,2]=4 6781 B18R0.176 CCCCC#CCCCCOCCCCCC(=O)N 7a_200000066234_100009817443 [0,2,0,0,0,0|0,0,2]=4 6782 B18R0.176 CCCCC/C=C\CCCOCCCCCC(=O)N 34a_100020655193_100009817443 [0,2,0,0,0,0|0,0,2]=4 6783 B18R0.176 CCCCC/C=C\CCCOCCCCCC(=O)N 7a_100020655193_100009817443 [0,2,0,0,0,0|0,0,2]=4 6784 B18R0.176 CCCCCCC#CCCOCCCCCC(=O)N 34a_200000033163_100009817443 [0,2,0,0,0,0|0,0,2]=4 6785 B18R0.176 CCCCCCC#CCCOCCCCCC(=O)N 7a_200000033163_100009817443 [0,2,0,0,0,0|0,0,2]=4 6786 B18R0.176 CCCCCCCC#CCOCCCCCC(=O)N 34a_200000061759_100009817443 [0,2,0,0,0,0|0,0,2]=4 6787 B18R0.176 CCCCCCCC#CCOCCCCCC(=O)N 7a_200000061759_100009817443 [0,2,0,0,0,0|0,0,2]=4 6788 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)N 34a_100015232335_100102525003 [0,2,0,0,0,0|0,0,2]=4 6789 B18R0.176 CCCCCCCCC/C=C/COCCCC(=O)N 7a_100015232335_100102525003 [0,2,0,0,0,0|0,0,2]=4 6790 B18R0.176 CCCCCCCCCC/C=C/COCCC(=O)N 34a_200025761149_100000731001 [0,2,0,0,0,0|0,0,2]=4 6791 B18R0.176 CCCCCCCCCC/C=C/COCCC(=O)N 7a_200025761149_100000744528 [0,2,0,0,0,0|0,0,2]=4 6792 B18R0.176 CCCCCCCCCCCCCC=NNC(=O)C 4a_100000189765_200011216147 [0,2,0,0,0,0|1,0,1]=4 6793 B18R0.176 CCCCCCCCCCCCCNCOC(=O)C 34a_100011215765_100009813279 [0,2,0,0,0,0|1,0,0]=3 6794 B18R0.176 CCCCCCCCCCCCCOCOC(=O)C 34a_100000185773_100009813279 [0,2,0,0,0,0|1,0,0]=3 6795 B18R0.176 CCCCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011215052 [0,2,0,0,0,0|1,0,0]=3 6796 B18R0.176 CCCCCCCCCCCCNCCNC(=O)C 2230a_100000210451_100000189650 [0,2,0,0,0,0|1,0,0]=3 6797 B18R0.176 CCCCCCCCCCCCNCCNC(=O)N 2230a_100000210451_200000034859 [0,2,0,0,0,0|1,0,0]=3 6798 B18R0.176 CCCCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000759014 [0,2,0,0,0,0|1,0,0]=3 6799 B18R0.176 CCCCCCCCCCCCNCCOC(=O)C 34a_100000210451_100009814007 [0,2,0,0,0,0|1,0,0]=3 6800 B18R0.176 CCCCCCCCCCCCNCCOC(=O)N 34a_100000210451_200011214921 [0,2,0,0,0,0|1,0,0]=3 6801 B18R0.176 CCCCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000759014 [0,2,0,0,0,0|1,0,0]=3 6802 B18R0.176 CCCCCCCCCCCCOCCNC(=O)C 7a_100000210810_100000189650 [0,2,0,0,0,0|1,0,0]=3 6803 B18R0.176 CCCCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000759014 [0,2,0,0,0,0|1,0,0]=3 6804 B18R0.176 CCCCCCCCCCCCOCCNC(=O)N 7a_100000210810_200000034859 [0,2,0,0,0,0|1,0,0]=3 6805 B18R0.176 CCCCCCCCCCCCOCCOC(=O)C 34a_100000210810_100009814007 [0,2,0,0,0,0|1,0,0]=3 6806 B18R0.176 CCCCCCCCCCCCOCCOC(=O)C 7a_100000210810_100009814007 [0,2,0,0,0,0|1,0,0]=3 6807 B18R0.176 CCCCCCCCCCCCOCCOC(=O)N 34a_100000210810_200011214921 [0,2,0,0,0,0|1,0,0]=3 6808 B18R0.176 CCCCCCCCCCCCOCCOC(=O)N 7a_100000210810_200011214921 [0,2,0,0,0,0|1,0,0]=3 6809 B18R0.176 CCCCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000759014 [0,2,0,0,0,0|1,0,0]=3 6810 B18R0.176 CCCCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000759014 [0,2,0,0,0,0|1,0,0]=3 6811 B18R0.176 CCCCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000759014 [0,2,0,0,0,0|1,0,0]=3 6812 B18R0.176 CCCCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000759014 [0,2,0,0,0,0|1,0,0]=3 6813 B18R0.176 CCCCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011215454 [0,2,0,0,0,0|1,0,0]=3 6814 B18R0.176 CCCCCCCCCCCNCCCOC(=O)C 34a_200011215754_100000042594 [0,2,0,0,0,0|1,0,0]=3 6815 B18R0.176 CCCCCCCCCCCNCCCOC(=S)C 2230a_200011215754_200135323944 [0,2,0,0,0,0|1,1,0]=4 6816 B18R0.176 CCCCCCCCCCCNCCCOC(=S)C 34a_200011215754_200135323944 [0,2,0,0,0,0|1,1,0]=4 6817 B18R0.176 CCCCCCCCCCCNCCCSC(=O)C 2230a_200011215754_100000038929 [0,2,0,0,0,0|1,0,0]=3 6818 B18R0.176 CCCCCCCCCCCNCCCSC(=O)C 34a_200011215754_100000038929 [0,2,0,0,0,0|1,0,0]=3 6819 B18R0.176 CCCCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011215454 [0,2,0,0,0,0|1,0,0]=3 6820 B18R0.176 CCCCCCCCCCCOCCCOC(=O)C 34a_100000210809_100000042594 [0,2,0,0,0,0|1,0,0]=3 6821 B18R0.176 CCCCCCCCCCCOCCCOC(=O)C 7a_100000210809_100000042594 [0,2,0,0,0,0|1,0,0]=3 6822 B18R0.176 CCCCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210320 [0,2,0,0,0,0|1,0,0]=3 6823 B18R0.176 CCCCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210320 [0,2,0,0,0,0|1,0,0]=3 6824 B18R0.176 CCCCCCCCCCNCCCCOC(=O)C 34a_100000684558_100000033659 [0,2,0,0,0,0|1,0,0]=3 6825 B18R0.176 CCCCCCCCCCNCCCCSC(=O)C 2230a_100000684558_200010402107 [0,2,0,0,0,0|1,0,0]=3 6826 B18R0.176 CCCCCCCCCCNCCCCSC(=O)C 34a_100000684558_200010402107 [0,2,0,0,0,0|1,0,0]=3 6827 B18R0.176 CCCCCCCCCCNCOCCOC(=O)C 34a_100000684558_100000076355 [0,2,0,0,0,0|2,0,0]=4 6828 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210320 [0,2,0,0,0,0|1,0,0]=3 6829 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 34a_100000210711_100000033659 [0,2,0,0,0,0|1,0,0]=3 6830 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210320 [0,2,0,0,0,0|1,0,0]=3 6831 B18R0.176 CCCCCCCCCCOCCCCOC(=O)C 7a_100000210711_100000033659 [0,2,0,0,0,0|1,0,0]=3 6832 B18R0.176 CCCCCCCCCCOCOCCOC(=O)C 34a_100000210711_100000076355 [0,2,0,0,0,0|2,0,0]=4 6833 B18R0.176 CCCCCCCCCCSCCOCOC(=O)C 34a_100011628728_100009813279 [0,2,0,0,0,0|2,0,0]=4 6834 B18R0.176 CCCCCCCCCCSCOCCOC(=O)C 62a_100000076355_100000210320 [0,2,0,0,0,0|2,0,0]=4 6835 B18R0.176 CCCCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100011214924 [0,2,0,0,0,0|1,0,0]=3 6836 B18R0.176 CCCCCCCCCNCCCCCNC(=O)C 34a_200012022750_100011214924 [0,2,0,0,0,0|1,0,0]=3 6837 B18R0.176 CCCCCCCCCNCCCCCOC(=O)C 2230a_100000212291_100009813381 [0,2,0,0,0,0|1,0,0]=3 6838 B18R0.176 CCCCCCCCCNCCCCCOC(=O)C 34a_100000212291_100000033007 [0,2,0,0,0,0|1,0,0]=3 6839 B18R0.176 CCCCCCCCCNCCOCCOC(=O)C 2230a_100000212291_200000083610 [0,2,0,0,0,0|2,0,0]=4 6840 B18R0.176 CCCCCCCCCNCCOCCOC(=O)C 34a_100000212291_200000083610 [0,2,0,0,0,0|2,0,0]=4 6841 B18R0.176 CCCCCCCCCOCCCCCOC(=O)C 34a_100000210712_100000033007 [0,2,0,0,0,0|1,0,0]=3 6842 B18R0.176 CCCCCCCCCOCCCCCOC(=O)C 7a_100000210712_100000033007 [0,2,0,0,0,0|1,0,0]=3 6843 B18R0.176 CCCCCCCCCOCCOCCOC(=O)C 34a_100000210712_200000083610 [0,2,0,0,0,0|2,0,0]=4 6844 B18R0.176 CCCCCCCCCOCCOCCOC(=O)C 7a_100000210712_200000083610 [0,2,0,0,0,0|2,0,0]=4 6845 B18R0.176 CCCCCCCCCSCCOCCOC(=O)C 62a_200000083610_100000210670 [0,2,0,0,0,0|2,0,0]=4 6846 B18R0.176 CCCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210759 [0,2,0,0,0,0|1,0,0]=3 6847 B18R0.176 CCCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210759 [0,2,0,0,0,0|1,0,0]=3 6848 B18R0.176 CCCCCCOCCOCCCCCOC(=O)C 34a_100000691444_100000033007 [0,2,0,0,0,0|2,0,0]=4 6849 B18R0.176 CCCCCCOCCOCCCCCOC(=O)C 7a_100000691444_100000033007 [0,2,0,0,0,0|2,0,0]=4 6850 B18R0.176 CCCCNCCCCOCCCCCOC(=O)C 34a_200011216965_100000033007 [0,2,0,0,0,0|2,0,0]=4 6851 B18R0.176 CCCCOCCCCOCCCCCOC(=O)C 34a_200000760531_100000033007 [0,2,0,0,0,0|2,0,0]=4 6852 B18R0.176 CCCCOCCCCOCCCCCOC(=O)C 7a_200000760531_100000033007 [0,2,0,0,0,0|2,0,0]=4 6853 B18R0.176 CCOCCCCCCCCCOCCNC(=O)C 7a_100009875440_100000189650 [0,2,0,0,0,0|2,0,0]=4 6854 B18R0.176 CCOCCCCCCCCCOCCNC(=O)N 7a_100009875440_200000034859 [0,2,0,0,0,0|2,0,0]=4 6855 B18R0.176 CCOCCCCCCCCCOCCOC(=O)C 34a_100009875440_100009814007 [0,2,0,0,0,0|2,0,0]=4 6856 B18R0.176 CCOCCCCCCCCCOCCOC(=O)C 7a_100009875440_100009814007 [0,2,0,0,0,0|2,0,0]=4 6857 B18R0.176 CCOCCCCCCCCCOCCOC(=O)N 34a_100009875440_200011214921 [0,2,0,0,0,0|2,0,0]=4 6858 B18R0.176 CCOCCCCCCCCCOCCOC(=O)N 7a_100009875440_200011214921 [0,2,0,0,0,0|2,0,0]=4 6859 B18R0.176 COCCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100011998445 [0,2,0,0,0,0|2,0,0]=4 6860 B18R0.176 COCCCCCCNCCCCCCNC(=O)C 34a_200011996284_100011998445 [0,2,0,0,0,0|2,0,0]=4 6861 B18R0.176 N#CCCCSCCCCCCCCCCC(=O)N 62a_100000687738_200010167045 [0,2,0,0,0,0|1,0,1]=4 6862 B18R0.176 N#CCCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000687738 [0,2,0,0,0,0|1,0,1]=4 6863 B18R0.176 NC(=O)NCCNCCCCCCCCCCCO 34a_100020590234_100009812471 [0,2,0,0,0,0|2,0,0]=4 6864 B18R0.176 NC(=O)NCCOCCCCCCCCCCCBr 7a_100009812471_200000034859 [0,2,0,0,0,0|2,0,0]=4 6865 B18R0.176 NC(=O)NCCOCCCCCCCCCCCO 34a_100000181757_100009812471 [0,2,0,0,0,0|2,0,0]=4 6866 B18R0.176 NC(=O)NCCSCCCCCCCCCCCO 62a_100009812471_200000034859 [0,2,0,0,0,0|2,0,0]=4 6867 B18R0.176 NC(=O)OCCOCCCCCCCCCCCBr 34a_100009812471_200011214921 [0,2,0,0,0,0|2,0,0]=4 6868 B18R0.176 NC(=O)OCCOCCCCCCCCCCCBr 7a_100009812471_200011214921 [0,2,0,0,0,0|2,0,0]=4 6869 B18R0.176 NC(=O)OCCOCCCCCCCCCCCO 7a_100000766696_100009812471 [0,2,0,0,0,0|2,0,0]=4 6870 B18R0.176 NC(=O)OCCSCCCCCCCCCCCO 62a_100009812471_200011214921 [0,2,0,0,0,0|2,0,0]=4 6871 B18R0.182 C=CCCCCCCCCCCCNCC(C)(C)O 2230a_100000751335_102130925996 [0,2,0,0,0,0|2,0,0]=4 6872 B18R0.182 C=CCCCCCCCCCNCCCC(C)(C)O 2230a_100000081888_100009888830 [0,2,0,0,0,0|2,0,0]=4 6873 B18R0.182 C=CCCCCCCCCCNCCCC(C)(C)O 34a_100000081888_100009888830 [0,2,0,0,0,0|2,0,0]=4 6874 B18R0.182 C=CCCCCCCCCCOCCCC(C)(C)O 34a_100000038209_100009888830 [0,2,0,0,0,0|2,0,0]=4 6875 B18R0.182 C=CCCCCCCCCCOCCCC(C)(C)O 7a_100000038209_100009888830 [0,2,0,0,0,0|2,0,0]=4 6876 B18R0.182 C=CCCCCCCCOCCCCCC(C)(C)O 34a_100000730831_100010402123 [0,2,0,0,0,0|2,0,0]=4 6877 B18R0.182 C=CCCCCCCCOCCCCCC(C)(C)O 7a_100000730831_100010402123 [0,2,0,0,0,0|2,0,0]=4 6878 B18R0.182 CCCCCCCCCCCCCCNS(=O)(=O)C 40a_100011217771_100000738038 [0,2,0,0,0,0|2,0,0]=4 6879 B18R0.182 CCCCCCCCCCCCCNCS(=O)(=O)[O-] 34a_100011215765_100009817235 [0,2,0,0,0,0|2,0,0]=4 6880 B18R0.182 CCCCCCCCCCCCCOCS(=O)(=O)[O-] 34a_100000185773_100009817235 [0,2,0,0,0,0|2,0,0]=4 6881 B18R0.182 CCCCCCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100011934334 [0,2,0,0,0,0|2,0,0]=4 6882 B18R0.182 CCCCCCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100011934334 [0,2,0,0,0,0|2,0,0]=4 6883 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 2230a_100000210451_100000731031 [0,2,0,0,0,0|2,0,0]=4 6884 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100011215052 [0,2,0,0,0,0|2,0,0]=4 6885 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 270004a_100000740961_100011218549 [0,2,0,0,0,0|2,0,0]=4 6886 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 34a_100000210451_100000731031 [0,2,0,0,0,0|2,0,0]=4 6887 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000759014 [0,2,0,0,0,0|2,0,0]=4 6888 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100011215052 [0,2,0,0,0,0|2,0,0]=4 6889 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)N 270004a_100000738205_100011218549 [0,2,0,0,0,0|2,0,0]=4 6890 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000759014 [0,2,0,0,0,0|2,0,0]=4 6891 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000210451_100000737633 [0,2,0,0,0,0|2,0,0]=4 6892 B18R0.182 CCCCCCCCCCCCNCCS(=O)(=O)[O-] 34a_100000210451_100000762736 [0,2,0,0,0,0|2,0,0]=4 6893 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)C 34a_100000210810_100000731031 [0,2,0,0,0,0|2,0,0]=4 6894 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000759014 [0,2,0,0,0,0|2,0,0]=4 6895 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)C 7a_100000210810_100000230027 [0,2,0,0,0,0|2,0,0]=4 6896 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000759014 [0,2,0,0,0,0|2,0,0]=4 6897 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000759014 [0,2,0,0,0,0|2,0,0]=4 6898 B18R0.182 CCCCCCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210810_100000762736 [0,2,0,0,0,0|2,0,0]=4 6899 B18R0.182 CCCCCCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000759014 [0,2,0,0,0,0|2,0,0]=4 6900 B18R0.182 CCCCCCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000759014 [0,2,0,0,0,0|2,0,0]=4 6901 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100011215454 [0,2,0,0,0,0|2,0,0]=4 6902 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)C 2230a_200011215754_100000754308 [0,2,0,0,0,0|2,0,0]=4 6903 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100011215454 [0,2,0,0,0,0|2,0,0]=4 6904 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)C 34a_200011215754_100000754308 [0,2,0,0,0,0|2,0,0]=4 6905 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)N 2230a_200011215754_100000750626 [0,2,0,0,0,0|2,0,0]=4 6906 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)N 34a_200011215754_100000750626 [0,2,0,0,0,0|2,0,0]=4 6907 B18R0.182 CCCCCCCCCCCNCCCS(=O)(=O)[O-] 34a_200011215754_100009813499 [0,2,0,0,0,0|2,0,0]=4 6908 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)C 34a_100000210809_100000754308 [0,2,0,0,0,0|2,0,0]=4 6909 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100011215454 [0,2,0,0,0,0|2,0,0]=4 6910 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)C 7a_100000210809_100000754308 [0,2,0,0,0,0|2,0,0]=4 6911 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100011215454 [0,2,0,0,0,0|2,0,0]=4 6912 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)N 34a_100000210809_100000750626 [0,2,0,0,0,0|2,0,0]=4 6913 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)N 7a_100000210809_100000750626 [0,2,0,0,0,0|2,0,0]=4 6914 B18R0.182 CCCCCCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210809_100009813499 [0,2,0,0,0,0|2,0,0]=4 6915 B18R0.182 CCCCCCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100011215454 [0,2,0,0,0,0|2,0,0]=4 6916 B18R0.182 CCCCCCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100011215454 [0,2,0,0,0,0|2,0,0]=4 6917 B18R0.182 CCCCCCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100011215454 [0,2,0,0,0,0|2,0,0]=4 6918 B18R0.182 O=CCOCCCCCCCCCCCC(F)(F)F 34a_200031717679_200009817547 [0,2,0,0,0,0|2,0,0]=4 6919 B18R0.182 O=CCOCCCCCCCCCCCC(F)(F)F 7a_200031717679_200015260668 [0,2,0,0,0,0|2,0,0]=4 6920 B18R0.220 C=CCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_102130925996 [0,2,0,0,0,0|1,0,1]=4 6921 B18R0.220 C=CCCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_102130925996 [0,2,0,0,0,0|2,0,0]=4 6922 B18R0.220 C=CCCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_102130925996 [0,2,0,0,0,0|2,0,0]=4 6923 B18R0.220 C=CCCCCCCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100009814027 [0,2,0,0,0,0|2,0,0]=4 6924 B18R0.220 C=CCCCCCCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100011933949 [0,2,0,0,0,0|2,0,0]=4 6925 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)N 1458a_100000756256_100000187820 [0,2,0,0,0,0|0,0,1]=3 6926 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210684 [0,2,0,0,0,0|0,0,1]=3 6927 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000756256_100020667443 [0,2,0,0,0,0|0,0,1]=3 6928 B18R0.220 CCCCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000756256_100000761209 [0,2,0,0,0,0|1,0,1]=4 6929 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210684 [0,2,0,0,0,0|1,0,0]=3 6930 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)N 270004a_100000739694_200011215488 [0,2,0,0,0,0|1,0,0]=3 6931 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210684 [0,2,0,0,0,0|1,0,0]=3 6932 B18R0.220 CCCCCCCCCCCCNC(=O)CC(=O)N 240690a_100000210451_100134613110 [0,2,0,0,0,0|1,0,1]=4 6933 B18R0.220 CCCCCCCCCCCCNC(=O)CC(=O)N 527a_100000210451_100134613110 [0,2,0,0,0,0|1,0,1]=4 6934 B18R0.220 CCCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215454 [0,2,0,0,0,0|1,0,0]=3 6935 B18R0.220 CN(CCCCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813331 [0,2,0,0,0,0|2,0,0]=4 6936 B18R0.220 CN(CCCCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813331 [0,2,0,0,0,0|2,0,0]=4 6937 B18R0.220 NC(=O)CC(=O)CCCCCCCCCCCCO 1458a_100134613110_100009813331 [0,2,0,0,0,0|1,0,1]=4 6938 B18R0.220 O=C(O)CC(O)CNCCCCCCCCCCO 269956a_100011218706_100009813290 [0,2,0,0,0,0|2,0,0]=4 6939 B18R0.233 CC(CCCC(=O)[O-])OCCCCCCCCCO 7a_100000761597_100009813782 [0,2,0,0,0,0|2,0,0]=4 6940 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210736_100102525003 [0,2,0,0,0,0|0,0,1]=3 6941 B18R0.233 CCCCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215454 [0,2,0,0,0,0|1,0,1]=4 6942 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011215454 [0,2,0,0,0,0|1,0,1]=4 6943 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210736_100000189650 [0,2,0,0,0,0|1,0,1]=4 6944 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100011215454 [0,2,0,0,0,0|1,0,1]=4 6945 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)N 1458a_100000210736_200000034859 [0,2,0,0,0,0|1,0,1]=4 6946 B18R0.233 CCCCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210736_100009814007 [0,2,0,0,0,0|1,0,1]=4 6947 B18R0.233 CCCCCCCCCCCC(=O)CCOC(=O)N 1458a_100000210736_200011214921 [0,2,0,0,0,0|1,0,1]=4 6948 B18R0.233 CCCCCCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100011215454 [0,2,0,0,0,0|1,0,1]=4 6949 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210736 [0,2,0,0,0,0|1,0,1]=4 6950 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210736 [0,2,0,0,0,0|1,0,1]=4 6951 B18R0.233 CCCCCCCCCCCC(=O)OCCC(=O)C 1458a_100000070787_100000091854 [0,2,0,0,0,0|1,0,1]=4 6952 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)N 34a_100011217895_100000731001 [0,2,0,0,0,0|1,0,0]=3 6953 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)N 7a_100011217895_100000744528 [0,2,0,0,0,0|1,0,0]=3 6954 B18R0.233 CCCCCCCCCCCC(C)OCOC(=O)C 34a_100011217895_100009813279 [0,2,0,0,0,0|2,0,0]=4 6955 B18R0.233 CCCCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100011215454 [0,2,0,0,0,0|1,0,0]=3 6956 B18R0.233 CCCCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210320 [0,2,0,0,0,0|1,0,0]=3 6957 B18R0.233 CN(CCCCCCCCCCO)CCCC(=O)O 269956a_100000719178_100009813290 [0,2,0,0,0,0|2,0,0]=4 6958 B18R0.974 C=C(C)CCOCCCCCCCCCCC(=O)N 34a_100000764851_200010167045 [0,2,0,0,0,0|1,0,1]=4 6959 B18R0.974 C=C(C)CCSCCCCCCCCCCC(=O)N 62a_100000730704_200010167045 [0,2,0,0,0,0|1,0,1]=4 6960 B18R0.974 C=C(C)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000730704 [0,2,0,0,0,0|1,0,1]=4 6961 B18R0.974 CC(=O)CCOCCCCCCCCCCC(=O)N 34a_100000759926_200010167045 [0,2,0,0,0,0|1,0,1]=4 6962 B18R0.974 CC(=O)CCOCCCCCCCCCCC(=O)N 7a_100000759926_200010167045 [0,2,0,0,0,0|1,0,1]=4 6963 B18R0.974 CC(=O)CCSCCCCCCCCCCC(=O)N 62a_100000053229_200010167045 [0,2,0,0,0,0|1,0,1]=4 6964 B18R0.974 CC(=O)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000053229 [0,2,0,0,0,0|1,0,1]=4 6965 B18R0.974 CC(=O)NCCCCCCNCCCCCC(C)C 2230a_200011996284_100000210682 [0,2,0,0,0,0|2,0,0]=4 6966 B18R0.974 CC(=O)NCCCCCCNCCCCCC(C)C 34a_200011996284_100000210682 [0,2,0,0,0,0|2,0,0]=4 6967 B18R0.974 CC(=O)OCCCCCNCCCCCCC(C)C 2230a_100000211014_100009813381 [0,2,0,0,0,0|2,0,0]=4 6968 B18R0.974 CC(=O)OCCCCCNCCCCCCC(C)C 34a_100000211014_100000033007 [0,2,0,0,0,0|2,0,0]=4 6969 B18R0.974 CC(=O)OCCCCOCCCCCCCC(C)C 34a_200000210741_100000033659 [0,2,0,0,0,0|2,0,0]=4 6970 B18R0.974 CC(=O)OCCCCOCCCCCCCC(C)C 7a_200000210741_100000033659 [0,2,0,0,0,0|2,0,0]=4 6971 B18R0.974 CC(=O)SCCCCCCCCCCCNC(C)C 2230a_100138425928_100010140907 [0,2,0,0,0,0|2,0,0]=4 6972 B18R0.974 CC(=O)SCCCCCCCCCCCNC(C)C 34a_100138425928_100010140907 [0,2,0,0,0,0|2,0,0]=4 6973 B18R0.974 CC(Br)CCOCCCCCCCCCCC(=O)N 34a_100009893172_200010167045 [0,2,0,0,0,0|1,0,0]=3 6974 B18R0.974 CC(C)CCCCCCCOCCCCCC(=O)N 34a_200000210741_100009817443 [0,2,0,0,0,0|1,0,0]=3 6975 B18R0.974 CC(C)CCCCCCCOCCCCCC(=O)N 7a_200000210741_100009817443 [0,2,0,0,0,0|1,0,0]=3 6976 B18R0.974 CC(C)CCOCCCCCCCCCCC(=O)N 34a_100000210254_200010167045 [0,2,0,0,0,0|1,0,0]=3 6977 B18R0.974 CC(C)CCOCCCCCCCCCCC(=O)N 7a_100000210254_200010167045 [0,2,0,0,0,0|1,0,0]=3 6978 B18R0.974 CC(C)CCSCCCCCCCCCCC(=O)N 62a_100000210312_200010167045 [0,2,0,0,0,0|1,0,0]=3 6979 B18R0.974 CC(C)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210312 [0,2,0,0,0,0|1,0,0]=3 6980 B18R0.974 CC(C)OCSCCCCCCCCCCC(=O)N 62a_100000709892_200010167045 [0,2,0,0,0,0|2,0,0]=4 6981 B18R0.974 CC(C)OCSCCCCCCCCCCC(=O)N 62a_200010167045_100000709892 [0,2,0,0,0,0|2,0,0]=4 6982 B18R0.974 CC(O)CCNCCCCCCCCCCC(=O)N 2230a_200000755665_200010167045 [0,2,0,0,0,0|1,0,0]=3 6983 B18R0.974 CC(O)CCSCCCCCCCCCCC(=O)N 62a_100012276601_200010167045 [0,2,0,0,0,0|1,0,0]=3 6984 B18R0.974 CC(O)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100012276601 [0,2,0,0,0,0|1,0,0]=3 6985 B18R0.974 CN(C)CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000755713 [0,2,0,0,0,0|2,0,0]=4 6986 B18R0.974 C[C@@H](N)CCOCCCCCCCCCCC(=O)N 34a_100000706166_200010167045 [0,2,0,0,0,0|1,0,0]=3 6987 B18R0.974 NC(=O)CCCCCCCCCCOCCC(F)F 34a_100103093639_200010167045 [0,2,0,0,0,0|2,0,0]=4 6988 B18R0.7250 CCCCCCCC(C)NCCCCCNC(=O)C 2230a_200012022750_200011218727 [0,2,0,0,0,0|2,0,0]=4 6989 B18R0.7250 CCCCCCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000210596 [0,2,0,0,0,0|2,0,0]=4 6990 B18R0.7250 CCCCCCCC(C)NCCCCCNC(=O)C 34a_200012022750_200011218727 [0,2,0,0,0,0|2,0,0]=4 6991 B18R0.7250 CCCCCCCC(C)OCCCCCOC(=O)C 34a_200011215852_100000033007 [0,2,0,0,0,0|2,0,0]=4 6992 B18R0.7250 CCCCCCCC(C)OCCCCCOC(=O)C 7a_200011215852_100000033007 [0,2,0,0,0,0|2,0,0]=4 6993 B18R0.11628 CCCCCCCCCC(=O)CCCCCC(=O)N 1458a_100000210558_100009817443 [0,2,0,0,0,0|0,0,1]=3 6994 B18R0.11628 CCCCCCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210670 [0,2,0,0,0,0|1,0,1]=4 6995 B18R0.11628 CCCCCCCCCC(=O)CCCCOC(=O)C 1458a_100000210558_100000033659 [0,2,0,0,0,0|1,0,1]=4 6996 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000210558 [0,2,0,0,0,0|1,0,1]=4 6997 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210558 [0,2,0,0,0,0|1,0,1]=4 6998 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210558 [0,2,0,0,0,0|1,0,1]=4 6999 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000210558 [0,2,0,0,0,0|1,0,1]=4 7000 B18R0.11628 CCCCCCCCCC(C)CNCCCS(=O)C 270004a_200000753449_200011218516 [0,2,0,0,0,0|2,0,0]=4 7001 B18R0.11628 CCCCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100011215753 [0,2,0,0,0,0|1,0,0]=3 7002 B18R0.11628 CCCCCCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100011215753 [0,2,0,0,0,0|2,0,0]=4 7003 B18R0.11628 CCCCCCCCCC(C)OCCCOC(=O)C 34a_100011218016_100000042594 [0,2,0,0,0,0|2,0,0]=4 7004 B18R0.11628 CCCCCCCCCC(C)OCCCOC(=O)C 7a_100011218016_100000042594 [0,2,0,0,0,0|2,0,0]=4 7005 B18R0.11628 CCCCCCCCCC(C)OCCOCC(=O)N 34a_100011218016_100000076697 [0,2,0,0,0,0|2,0,0]=4 7006 B18R0.11628 CCCCCCCCCC(C)OCCOCC(=O)N 7a_100011218016_100000076697 [0,2,0,0,0,0|2,0,0]=4 7007 B18R0.11628 CCCCCCCCCN(C)CCCCCC(=O)N 2230a_100000232482_100009817443 [0,2,0,0,0,0|1,0,0]=3 7008 B18R0.11628 CCCCCCCCCN(C)CCCCCC(=O)N 269982a_100000232482_100009817443 [0,2,0,0,0,0|1,0,0]=3 7009 B18R0.11628 CCCCCCCCCN(C)CCCCOC(=O)C 269982a_100000232482_100000033659 [0,2,0,0,0,0|2,0,0]=4 7010 B18R0.11628 CCCCCCCCCN(C)CCCCSC(=O)C 2230a_100000232482_200010402107 [0,2,0,0,0,0|2,0,0]=4 7011 B18R0.11628 CCCCCCCCCN(C)CCCCSC(=O)C 269982a_100000232482_200010402107 [0,2,0,0,0,0|2,0,0]=4 7012 B18R0.17430 CC(=O)CCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000735457 [0,2,0,0,0,0|1,0,1]=4 7013 B18R0.17430 CCCCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210319 [0,2,0,0,0,0|1,0,1]=4 7014 B18R0.17430 CCCCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210375_100000042594 [0,2,0,0,0,0|1,0,1]=4 7015 B18R0.17430 CCCCCCCCCCC(=O)CCOCC(=O)N 1458a_100000210375_100000076697 [0,2,0,0,0,0|1,0,1]=4 7016 B18R0.17430 CCCCCCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210319 [0,2,0,0,0,0|1,0,1]=4 7017 B18R0.17430 CCCCCCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210375 [0,2,0,0,0,0|1,0,1]=4 7018 B18R0.17430 CCCCCCCCCCC(C)NCCCS(=O)C 270004a_200000753449_200011219864 [0,2,0,0,0,0|2,0,0]=4 7019 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)N 34a_100011215000_100102525003 [0,2,0,0,0,0|1,0,0]=3 7020 B18R0.17430 CCCCCCCCCCC(C)OCCCC(=O)N 7a_100011215000_100102525003 [0,2,0,0,0,0|1,0,0]=3 7021 B18R0.17430 CCCCCCCCCCC(C)OCCNC(=O)C 7a_100011215000_100000189650 [0,2,0,0,0,0|2,0,0]=4 7022 B18R0.17430 CCCCCCCCCCC(C)OCCNC(=O)N 7a_100011215000_200000034859 [0,2,0,0,0,0|2,0,0]=4 7023 B18R0.17430 CCCCCCCCCCC(C)OCCOC(=O)C 34a_100011215000_100009814007 [0,2,0,0,0,0|2,0,0]=4 7024 B18R0.17430 CCCCCCCCCCC(C)OCCOC(=O)C 7a_100011215000_100009814007 [0,2,0,0,0,0|2,0,0]=4 7025 B18R0.17430 CCCCCCCCCCC(C)OCCOC(=O)N 34a_100011215000_200011214921 [0,2,0,0,0,0|2,0,0]=4 7026 B18R0.17430 CCCCCCCCCCC(C)OCCOC(=O)N 7a_100011215000_200011214921 [0,2,0,0,0,0|2,0,0]=4 7027 B18R0.17430 CCCCCCCCCCN(C)CCCCC(=O)C 269982a_100000207566_100000735457 [0,2,0,0,0,0|1,0,0]=3 7028 B18R0.17430 CCCCCCCCCCN(C)CCCOC(=O)C 269982a_100000207566_100000042594 [0,2,0,0,0,0|2,0,0]=4 7029 B18R0.17430 CCCCCCCCCCN(C)CCCSC(=O)C 2230a_100000207566_100000038929 [0,2,0,0,0,0|2,0,0]=4 7030 B18R0.17430 CCCCCCCCCCN(C)CCCSC(=O)C 269982a_100000207566_100000038929 [0,2,0,0,0,0|2,0,0]=4 7031 B18R0.17430 CCCCCCCCCCN(C)CCOCC(=O)N 2230a_100000207566_100000076697 [0,2,0,0,0,0|2,0,0]=4 7032 B18R0.17430 CCCCCCCCCCN(C)CCOCC(=O)N 269982a_100000207566_100000076697 [0,2,0,0,0,0|2,0,0]=4 7033 B18R0.17430 CCCCCCCCOCC(=O)CCCCC(=O)C 1458a_100000759886_100000735457 [0,2,0,0,0,0|1,0,1]=4 7034 B18R0.19183 CCCCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000759014 [0,2,0,0,0,0|0,0,1]=3 7035 B18R0.19183 CCCCCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000759014 [0,2,0,0,0,0|1,0,1]=4 7036 B18R0.19183 CCCCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000759014 [0,2,0,0,0,0|1,0,1]=4 7037 B18R0.19183 CCCCCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000759014 [0,2,0,0,0,0|1,0,1]=4 7038 B18R0.19183 CCCCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000759014 [0,2,0,0,0,0|1,0,1]=4 7039 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100011215791 [0,2,0,0,0,0|1,0,1]=4 7040 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100011215791 [0,2,0,0,0,0|1,0,1]=4 7041 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011217028 [0,2,0,0,0,0|1,0,0]=3 7042 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011217028 [0,2,0,0,0,0|1,0,0]=3 7043 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)N 34a_200011215752_100000187820 [0,2,0,0,0,0|1,0,0]=3 7044 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)N 7a_200011215752_100000187820 [0,2,0,0,0,0|1,0,0]=3 7045 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)[O-] 34a_200011215752_100020667443 [0,2,0,0,0,0|1,0,0]=3 7046 B18R0.19183 CCCCCCCCCCCCC(C)OC[N+](=O)[O-] 34a_200011215752_100000761209 [0,2,0,0,0,0|2,0,0]=4 7047 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)N 62a_100000747473_200011217028 [0,2,0,0,0,0|1,0,0]=3 7048 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)N 62a_200011217028_100000747473 [0,2,0,0,0,0|1,0,0]=3 7049 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011217028 [0,2,0,0,0,0|1,0,0]=3 7050 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)[O-] 62a_200011217028_100020667443 [0,2,0,0,0,0|1,0,0]=3 7051 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)C 269982a_100000227908_100000053229 [0,2,0,0,0,0|1,0,0]=3 7052 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 2230a_100000227908_100000744528 [0,2,0,0,0,0|1,0,0]=3 7053 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011215052 [0,2,0,0,0,0|1,0,0]=3 7054 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 269982a_100000227908_100000744528 [0,2,0,0,0,0|1,0,0]=3 7055 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 270004a_100000730477_100011218549 [0,2,0,0,0,0|1,0,0]=3 7056 B18R0.19183 CCCCCCCCCCCCN(C)COC(=O)C 269982a_100000227908_100000076356 [0,2,0,0,0,0|2,0,0]=4 7057 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(=O)N 240690a_200011215754_100011215257 [0,2,0,0,0,0|1,0,1]=4 7058 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(=O)N 527a_200011215754_100011215257 [0,2,0,0,0,0|1,0,1]=4 7059 B18R0.19183 CCCCCCCCCCCNC(C)COC(=O)C 270004a_200011215754_100000000629 [0,2,0,0,0,0|2,0,0]=4 7060 B18R0.19183 CCCCCCCCCCNCC(C)CSC(=O)C 2230a_100000684558_200000116872 [0,2,0,0,0,0|2,0,0]=4 7061 B18R0.19183 CCCCCCCCCCNCC(C)CSC(=O)C 34a_100000684558_200000116872 [0,2,0,0,0,0|2,0,0]=4 7062 B18R0.19183 CCCCCCCCCCNCC(O)COC(=O)C 34a_100000684558_200000139349 [0,2,0,0,0,0|2,0,0]=4 7063 B18R0.19183 CCCCCCCCCCOCC(O)COC(=O)C 34a_100000210711_200000139349 [0,2,0,0,0,0|2,0,0]=4 7064 B18R0.19183 CCCCCCCCCCOCC(O)COC(=O)C 7a_100000210711_200000139349 [0,2,0,0,0,0|2,0,0]=4 7065 B18R0.19183 CCCCCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210320 [0,2,0,0,0,0|2,0,0]=4 7066 B18R0.19183 CN(CCCCCCCCCCCO)CCC(=O)N 2230a_100000730477_100009812471 [0,2,0,0,0,0|2,0,0]=4 7067 B18R0.19183 NC(=O)CCC(=O)CCCCCCCCCCCO 1458a_100011215257_100009812471 [0,2,0,0,0,0|1,0,1]=4 7068 B18R0.19354 CC(CCBr)OCCCCCCCCCCC(=O)N 34a_100012276601_200010167045 [0,2,0,0,0,0|2,0,0]=4 7069 B18R0.19354 CC(CCO)SCCCCCCCCCCC(=O)N 62a_100009893172_200010167045 [0,2,0,0,0,0|2,0,0]=4 7070 B18R0.19354 CC(CCO)SCCCCCCCCCCC(=O)N 62a_200010167045_100009893172 [0,2,0,0,0,0|2,0,0]=4 7071 B18R0.19354 CCCC(C)NCCCCCCCCCCC(=O)N 2230a_100000741246_200010167045 [0,2,0,0,0,0|1,0,0]=3 7072 B18R0.19354 CCCC(C)OCCCCCCCCCCC(=O)N 34a_100000764384_200010167045 [0,2,0,0,0,0|1,0,0]=3 7073 B18R0.19354 CCCC(C)OCCCCCCCCCCC(=O)N 7a_100000764384_200010167045 [0,2,0,0,0,0|1,0,0]=3 7074 B18R0.19354 CCCC(C)SCCCCCCCCCCC(=O)N 62a_100000766640_200010167045 [0,2,0,0,0,0|1,0,0]=3 7075 B18R0.19354 CCCC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000766640 [0,2,0,0,0,0|1,0,0]=3 7076 B18R0.19354 CCOC(=O)CCCCCCCCCCCC(=O)C 1458a_100000070787_100103168309 [0,2,0,0,0,0|1,0,1]=4 7077 B18R0.19354 COCC(C)SCCCCCCCCCCC(=O)N 62a_100000765312_200010167045 [0,2,0,0,0,0|2,0,0]=4 7078 B18R0.19354 COCC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000765312 [0,2,0,0,0,0|2,0,0]=4 7079 B18R0.19354 COC[C@@H](C)NCCCCCCCCCCC(=O)N 2230a_100000764878_200010167045 [0,2,0,0,0,0|2,0,0]=4 7080 B18R0.19354 COC[C@@H](C)OCCCCCCCCCCC(=O)N 34a_100011934205_200010167045 [0,2,0,0,0,0|2,0,0]=4 7081 B18R0.19354 C[C@H](CCO)NCCCCCCCCCCC(=O)N 2230a_100000706166_200010167045 [0,2,0,0,0,0|2,0,0]=4 7082 B18R0.19354 C[C@H](CCO)NCCCCCCCCCCC(=O)N 34a_100000706166_200010167045 [0,2,0,0,0,0|2,0,0]=4 7083 B18R0.6453 C=CCCCCCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000700193 [0,2,0,0,0,0|1,0,1]=4 7084 B18R0.11621 C=CCCCCCCC(=O)NCCCCCCCC 11a_100000229939_100011809334 [0,2,0,0,0,0|1,0,1]=4 7085 B18R0.11621 C=CCCCCCCC(=O)NCCCCCCCC 1626a_100000229939_100011809334 [0,2,0,0,0,0|1,0,1]=4 7086 B18R0.11621 C=CCCCCCCC(=O)NCCCCCCCC 240690a_100000229939_100011809334 [0,2,0,0,0,0|1,0,1]=4 7087 B18R0.11621 C=CCCCCCCC(=O)NCCCCCCCC 527a_100000229939_100011809334 [0,2,0,0,0,0|1,0,1]=4 7088 B18R0.11621 C=CCCCCCCCC(=O)NCCCCCCC 11a_100000229938_100011216160 [0,2,0,0,0,0|1,0,1]=4 7089 B18R0.11621 C=CCCCCCCCC(=O)NCCCCCCC 1626a_100000229938_100011216160 [0,2,0,0,0,0|1,0,1]=4 7090 B18R0.11621 C=CCCCCCCCC(=O)NCCCCCCC 240690a_100000229938_100011216160 [0,2,0,0,0,0|1,0,1]=4 7091 B18R0.11621 C=CCCCCCCCC(=O)NCCCCCCC 527a_100000229938_100011216160 [0,2,0,0,0,0|1,0,1]=4 7092 B18R0.11621 CCCCCCCCCC(=O)OCSCCCC=O 62a_200011292268_200010990708 [0,2,0,0,0,0|1,0,1]=4 7093 B18R0.110 C=CCC(=O)NCCCCCCCCCCCCC 11a_100011215765_100000210193 [0,2,0,0,0,0|1,0,1]=4 7094 B18R0.110 C=CCC(=O)NCCCCCCCCCCCCC 1626a_100011215765_100000210193 [0,2,0,0,0,0|1,0,1]=4 7095 B18R0.110 C=CCC(=O)NCCCCCCCCCCCCC 240690a_100011215765_100000210193 [0,2,0,0,0,0|1,0,1]=4 7096 B18R0.110 C=CCC(=O)NCCCCCCCCCCCCC 527a_100011215765_100000210193 [0,2,0,0,0,0|1,0,1]=4 7097 B18R0.110 CCCCCCCCCCCCNC[C@@H](O)CC#N 2230a_100000210451_100000001066 [0,2,0,0,0,0|1,0,1]=4 7098 B18R0.110 CCCCCCCCCCCCOC[C@@H](O)CC#N 7a_100000210810_100000001066 [0,2,0,0,0,0|1,0,1]=4 7099 B18R0.110 CCCCCCCCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000759014 [0,2,0,0,0,0|1,0,1]=4 7100 B18R0.110 CCOC(=O)CCCCCCCCCCSCC=O 62a_200015260668_100009827693 [0,2,0,0,0,0|1,0,1]=4 7101 B18R0.110 CCOC(=O)CCCCCCCCSCCCC=O 62a_200011292268_100010175975 [0,2,0,0,0,0|1,0,1]=4 7102 B18R0.110 CCOC(=O)CCCCCCCSCCCCC=O 62a_100000139335_100009991516 [0,2,0,0,0,0|1,0,1]=4 7103 B18R0.110 CCOC(=O)CCCCCCSCCCCCC=O 62a_100000139337_100009814379 [0,2,0,0,0,0|1,0,1]=4 7104 B18R0.221 CCC#CCCCCCCCCOCCCCC=O 7a_200000031908_100000139335 [0,2,0,0,0,0|0,0,1]=3 7105 B18R0.3155 C=CCCC(=O)NCCCCCCCCCCCC 11a_100000210451_100000749702 [0,2,0,0,0,0|1,0,1]=4 7106 B18R0.3155 C=CCCC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000749702 [0,2,0,0,0,0|1,0,1]=4 7107 B18R0.3155 C=CCCC(=O)NCCCCCCCCCCCC 240690a_100000210451_100000749702 [0,2,0,0,0,0|1,0,1]=4 7108 B18R0.3155 C=CCCC(=O)NCCCCCCCCCCCC 527a_100000210451_100000749702 [0,2,0,0,0,0|1,0,1]=4 7109 B18R0.3155 C=CCNC(=O)CCCCCCCCCCCCC 1626a_100020586998_100000756256 [0,2,0,0,0,0|1,0,1]=4 7110 B18R0.3155 C=CCNC(=O)CCCCCCCCCCCCC 240690a_100020586998_100000756256 [0,2,0,0,0,0|1,0,1]=4 7111 B18R0.7792 C=CCCCCC(=O)NCCCCCCCCCC 11a_100000684558_100011215552 [0,2,0,0,0,0|1,0,1]=4 7112 B18R0.7792 C=CCCCCC(=O)NCCCCCCCCCC 1626a_100000684558_100011215552 [0,2,0,0,0,0|1,0,1]=4 7113 B18R0.7792 C=CCCCCC(=O)NCCCCCCCCCC 240690a_100000684558_100011215552 [0,2,0,0,0,0|1,0,1]=4 7114 B18R0.7792 C=CCCCCC(=O)NCCCCCCCCCC 527a_100000684558_100011215552 [0,2,0,0,0,0|1,0,1]=4 7115 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 11a_100000700776_100000210736 [0,2,0,0,0,0|1,0,1]=4 7116 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 1626a_100000700776_100000210736 [0,2,0,0,0,0|1,0,1]=4 7117 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 240690a_100000700776_100000210736 [0,2,0,0,0,0|1,0,1]=4 7118 B18R0.7792 CCCCCCCCCCCC(=O)OCSCC=O 62a_200015260668_100020644155 [0,2,0,0,0,0|1,0,1]=4 7119 B18R0.17438 C=CCCCCCC(=O)NCCCCCCCCC 11a_100000212291_100011934241 [0,2,0,0,0,0|1,0,1]=4 7120 B18R0.17438 C=CCCCCCC(=O)NCCCCCCCCC 1626a_100000212291_100011934241 [0,2,0,0,0,0|1,0,1]=4 7121 B18R0.17438 C=CCCCCCC(=O)NCCCCCCCCC 240690a_100000212291_100011934241 [0,2,0,0,0,0|1,0,1]=4 7122 B18R0.17438 C=CCCCCCC(=O)NCCCCCCCCC 527a_100000212291_100011934241 [0,2,0,0,0,0|1,0,1]=4 7123 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCCC 11a_100000210581_100000211349 [0,2,0,0,0,0|1,0,1]=4 7124 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCCC 1626a_100000210581_100000211349 [0,2,0,0,0,0|1,0,1]=4 7125 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCCC 240690a_100000210581_100000211349 [0,2,0,0,0,0|1,0,1]=4 7126 B18R0.17438 C=CCCCCCCCCC(=O)NCCCCCC 527a_100000210581_100000211349 [0,2,0,0,0,0|1,0,1]=4 7127 B18R0.17438 C=CCCCCNC(=O)CCCCCCCCCC 11a_100000703577_100000210375 [0,2,0,0,0,0|1,0,1]=4 7128 B18R0.17438 C=CCCCCNC(=O)CCCCCCCCCC 1626a_100000703577_100000210375 [0,2,0,0,0,0|1,0,1]=4 7129 B18R0.17438 C=CCCCCNC(=O)CCCCCCCCCC 240690a_100000703577_100000210375 [0,2,0,0,0,0|1,0,1]=4 7130 B18R0.17438 CCCCCCCC(=O)OCSCCCCCC=O 62a_100000139337_100009852258 [0,2,0,0,0,0|1,0,1]=4 7131 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCC 11a_200011215754_100000766728 [0,2,0,0,0,0|1,0,1]=4 7132 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000766728 [0,2,0,0,0,0|1,0,1]=4 7133 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000766728 [0,2,0,0,0,0|1,0,1]=4 7134 B18R0.19788 C=CCCCC(=O)NCCCCCCCCCCC 527a_200011215754_100000766728 [0,2,0,0,0,0|1,0,1]=4 7135 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCC 11a_100000081888_100000212188 [0,2,0,0,0,0|1,0,1]=4 7136 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCC 1626a_100000081888_100000212188 [0,2,0,0,0,0|1,0,1]=4 7137 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCC 240690a_100000081888_100000212188 [0,2,0,0,0,0|1,0,1]=4 7138 B18R0.19788 C=CCCCCCCCCCNC(=O)CCCCC 527a_100000081888_100000212188 [0,2,0,0,0,0|1,0,1]=4 7139 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCC 11a_100015191253_100011215791 [0,2,0,0,0,0|1,0,1]=4 7140 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCC 1626a_100015191253_100011215791 [0,2,0,0,0,0|1,0,1]=4 7141 B18R0.19788 C=CCCNC(=O)CCCCCCCCCCCC 240690a_100015191253_100011215791 [0,2,0,0,0,0|1,0,1]=4 7142 B18R0.175 C=CC(O)CN(C)CCCCCCCCCCCC 2230a_100000227908_100000730141 [0,2,0,0,0,0|2,0,0]=4 7143 B18R0.175 C=CCCCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100011093070 [0,2,0,0,0,0|1,0,1]=4 7144 B18R0.189 C=CCCCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_102130925996 [0,2,0,0,0,0|1,0,1]=4 7145 B18R0.7795 C=CC(O)COC(C)CCCCCCCCCCC 34a_100011217895_100000730141 [0,2,0,0,0,0|2,0,0]=4 7146 B18R0.7795 C=CC(O)COC(C)CCCCCCCCCCC 7a_100011217895_100000730141 [0,2,0,0,0,0|2,0,0]=4 7147 B18R0.177 C=CCCCCCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100011093070 [0,2,0,0,0,0|1,0,1]=4 7148 B18R0.7796 C=CCCCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100009814027 [0,2,0,0,0,0|1,0,1]=4 7149 B18R0.9629 C=CCCCCCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000700193 [0,2,0,0,0,0|1,0,1]=4 7150 B18R0.20141 C=CCCCCCCCC(=O)C(O)CCCCCC 1458a_100011215828_100012355270 [0,2,0,0,0,0|1,0,1]=4 7151 B16R1.271 CCCCCCN1CCCCC1CCCO 2230a_100011934581_100000210314 [1,0,0,1,0,0|1,0,1]=4 7152 B16R1.271 CCCCCCN1CCCCC1CCCO 269982a_100011934581_100000210757 [1,0,0,1,0,0|1,0,1]=4 7153 B16R1.271 CCCCCCN1CCCCC1CCCO 34a_100011934581_100000210314 [1,0,0,1,0,0|1,0,1]=4 7154 B16R1.271 COCCC1CCCCN1CCCCC=O 2230a_100015186528_100000139335 [1,0,0,1,0,0|2,0,0]=4 7155 B16R1.271 COCCC1CCCCN1CCCCC=O 269982a_100015186528_100000139335 [1,0,0,1,0,0|2,0,0]=4 7156 B16R1.271 O=CCCCCN1CCCCC1CCCO 2230a_100011934581_100000139335 [1,0,0,1,0,0|2,0,0]=4 7157 B16R1.271 O=CCCCCN1CCCCC1CCCO 269982a_100011934581_100000139335 [1,0,0,1,0,0|2,0,0]=4 7158 B16R1.284 C=CCCCNC1CCCC1CCCCC 269862a_100000700776_200000198059 [1,0,0,1,0,0|1,0,1]=4 7159 B16R1.284 C=CCCCNC1CCCC1CCCCC 270004a_100000700776_200000198059 [1,0,0,1,0,0|1,0,1]=4 7160 B16R1.284 C=CCCNC1CCCC1CCCCCC 269862a_100015191253_100000189428 [1,0,0,1,0,0|1,0,1]=4 7161 B16R1.284 C=CCCNC1CCCC1CCCCCC 270004a_100015191253_100000189428 [1,0,0,1,0,0|1,0,1]=4 7162 B16R1.284 CCCCCC1CCCC1NCCCCO 269862a_100000750430_200000198059 [1,0,0,1,0,0|1,0,1]=4 7163 B16R1.284 CCCCCC1CCCC1NCCCCO 270004a_100000750430_200000198059 [1,0,0,1,0,0|1,0,1]=4 7164 B16R1.284 CCCCCCC1CCCC1NCCCC 269862a_100000102301_100000189428 [1,0,0,1,0,0|1,0,1]=4 7165 B16R1.284 CCCCCCC1CCCC1NCCCC 270004a_100000102301_100000189428 [1,0,0,1,0,0|1,0,1]=4 7166 B16R1.284 CCCCCCC1CCCC1NCCCF 269862a_100015189416_100000189428 [1,0,0,1,0,0|2,0,0]=4 7167 B16R1.284 CCCCCCC1CCCC1NCCCF 270004a_100015189416_100000189428 [1,0,0,1,0,0|2,0,0]=4 7168 B16R1.284 CCCCCCC1CCCC1NCCCO 269862a_100000182051_100000189428 [1,0,0,1,0,0|1,0,1]=4 7169 B16R1.284 CCCCCCC1CCCC1NCCCO 270004a_100000182051_100000189428 [1,0,0,1,0,0|1,0,1]=4 7170 B16R1.284 CCCCCNC1CCCC1CCCCC 269862a_100000209983_200000198059 [1,0,0,1,0,0|1,0,1]=4 7171 B16R1.284 CCCCCNC1CCCC1CCCCC 270004a_100000209983_200000198059 [1,0,0,1,0,0|1,0,1]=4 7172 B16R1.310 CCNC1CCCCCCCCCCC1=O 2230a_100015525214_200009990614 [1,0,0,1,0,0|1,0,0]=3 7173 B16R1.310 CCOC1CCCCCCCCCCC1=O 34a_100121572206_200009990614 [1,0,0,1,0,0|1,0,0]=3 7174 B16R1.310 CCSC1CCCCCCCCCCC1=O 62a_100000210202_200009990614 [1,0,0,1,0,0|1,0,0]=3 7175 B16R1.310 CCSC1CCCCCCCCCCC1=O 62a_200009990614_100000210202 [1,0,0,1,0,0|1,0,0]=3 7176 B16R1.310 O=C1CCCCCCCCCCC1SCF 62a_100015361967_200009990614 [1,0,0,1,0,0|2,0,0]=4 7177 B16R1.310 O=C1CCCCCCCCCCC1SCF 62a_200009990614_100015361967 [1,0,0,1,0,0|2,0,0]=4 7178 B16R1.643 BrCCCCCCCOCC1CCCCC1 34a_100000760002_100000211423 [1,0,0,1,0,0|2,0,0]=4 7179 B16R1.643 BrCCCCCCCOCC1CCCCC1 7a_100000760002_100000211423 [1,0,0,1,0,0|2,0,0]=4 7180 B16R1.643 BrCCCCCCOCCC1CCCCC1 34a_100011215345_100011209188 [1,0,0,1,0,0|2,0,0]=4 7181 B16R1.643 BrCCCCCCOCCC1CCCCC1 7a_100011215345_100011273959 [1,0,0,1,0,0|2,0,0]=4 7182 B16R1.643 BrCCCCCOCCCC1CCCCC1 34a_100000746331_100011713725 [1,0,0,1,0,0|2,0,0]=4 7183 B16R1.643 BrCCCCCOCCCC1CCCCC1 7a_100000746331_100011713725 [1,0,0,1,0,0|2,0,0]=4 7184 B16R1.643 C=CCCCCCCCNC1CCCCC1 2230a_100000182618_100012355270 [1,0,0,1,0,0|1,0,1]=4 7185 B16R1.643 C=CCCCCCCCNC1CCCCC1 34a_100000182618_100012355270 [1,0,0,1,0,0|1,0,1]=4 7186 B16R1.643 C=CCCCCCCCOC1CCCCC1 34a_100000210231_100012355270 [1,0,0,1,0,0|1,0,1]=4 7187 B16R1.643 C=CCCCCCCCOC1CCCCC1 34a_100000730831_100000210327 [1,0,0,1,0,0|1,0,1]=4 7188 B16R1.643 C=CCCCCCCCOC1CCCCC1 7a_100000210231_100012355270 [1,0,0,1,0,0|1,0,1]=4 7189 B16R1.643 C=CCCCCCCCOC1CCCCC1 7a_100000730831_100000210327 [1,0,0,1,0,0|1,0,1]=4 7190 B16R1.643 C=CCCCCCCNCC1CCCCC1 2230a_100000210473_100011215473 [1,0,0,1,0,0|1,0,1]=4 7191 B16R1.643 C=CCCCCCCNCC1CCCCC1 34a_100000210473_100011215473 [1,0,0,1,0,0|1,0,1]=4 7192 B16R1.643 C=CCCCCCCOCC1CCCCC1 34a_100000212181_100011215473 [1,0,0,1,0,0|1,0,1]=4 7193 B16R1.643 C=CCCCCCCOCC1CCCCC1 34a_200011216477_100000211423 [1,0,0,1,0,0|1,0,1]=4 7194 B16R1.643 C=CCCCCCCOCC1CCCCC1 7a_100000212181_100011215473 [1,0,0,1,0,0|1,0,1]=4 7195 B16R1.643 C=CCCCCCCOCC1CCCCC1 7a_200011216477_100000211423 [1,0,0,1,0,0|1,0,1]=4 7196 B16R1.643 C=CCCCCCNCCC1CCCCC1 2230a_100000738074_100000700193 [1,0,0,1,0,0|1,0,1]=4 7197 B16R1.643 C=CCCCCCNCCC1CCCCC1 34a_100000738074_100000700193 [1,0,0,1,0,0|1,0,1]=4 7198 B16R1.643 C=CCCCCCOCCC1CCCCC1 34a_100011216702_100011209188 [1,0,0,1,0,0|1,0,1]=4 7199 B16R1.643 C=CCCCCCOCCC1CCCCC1 34a_100011217863_100000700193 [1,0,0,1,0,0|1,0,1]=4 7200 B16R1.643 C=CCCCCCOCCC1CCCCC1 7a_100011216702_100011273959 [1,0,0,1,0,0|1,0,1]=4 7201 B16R1.643 C=CCCCCCOCCC1CCCCC1 7a_100011217863_100000700193 [1,0,0,1,0,0|1,0,1]=4 7202 B16R1.643 C=CCCCCNCCCC1CCCCC1 2230a_100000703577_100011713725 [1,0,0,1,0,0|1,0,1]=4 7203 B16R1.643 C=CCCCCNCCCC1CCCCC1 2230a_100011211642_100011215482 [1,0,0,1,0,0|1,0,1]=4 7204 B16R1.643 C=CCCCCNCCCC1CCCCC1 34a_100000703577_100011713725 [1,0,0,1,0,0|1,0,1]=4 7205 B16R1.643 C=CCCCCNCCCC1CCCCC1 34a_100011211642_100011215482 [1,0,0,1,0,0|1,0,1]=4 7206 B16R1.643 C=CCCCCOCCCC1CCCCC1 34a_100000198086_100011215482 [1,0,0,1,0,0|1,0,1]=4 7207 B16R1.643 C=CCCCCOCCCC1CCCCC1 34a_100000766645_100011713725 [1,0,0,1,0,0|1,0,1]=4 7208 B16R1.643 C=CCCCCOCCCC1CCCCC1 7a_100000198086_100011215482 [1,0,0,1,0,0|1,0,1]=4 7209 B16R1.643 C=CCCCCOCCCC1CCCCC1 7a_100000766645_100011713725 [1,0,0,1,0,0|1,0,1]=4 7210 B16R1.643 C=CCCCOCCCCC1CCCCC1 34a_100011215267_100000757094 [1,0,0,1,0,0|1,0,1]=4 7211 B16R1.643 C=CCCCOCCCCC1CCCCC1 7a_100011215267_100000757094 [1,0,0,1,0,0|1,0,1]=4 7212 B16R1.643 CCCCCCCCCNC1C=CCCC1 2230a_100000212291_100000751183 [1,0,0,1,0,0|1,0,1]=4 7213 B16R1.643 CCCCCCCCCNC1CCCCC1 2230a_100000182618_100011214924 [1,0,0,1,0,0|1,0,1]=4 7214 B16R1.643 CCCCCCCCCNC1CCCCC1 270004a_100000212291_100000210434 [1,0,0,1,0,0|1,0,1]=4 7215 B16R1.643 CCCCCCCCCNC1CCCCC1 34a_100000182618_100011214924 [1,0,0,1,0,0|1,0,1]=4 7216 B16R1.643 CCCCCCCCCNC1CCCCC1 34a_100000212291_100000210327 [1,0,0,1,0,0|1,0,1]=4 7217 B16R1.643 CCCCCCCCCOC1C=CCCC1 34a_100011215024_100011214924 [1,0,0,1,0,0|1,0,1]=4 7218 B16R1.643 CCCCCCCCCOC1C=CCCC1 7a_100000210712_100000751183 [1,0,0,1,0,0|1,0,1]=4 7219 B16R1.643 CCCCCCCCCOC1CCCCO1 34a_100000033831_100011214924 [1,0,0,1,0,0|1,0,1]=4 7220 B16R1.643 CCCCCCCCNCC1CCCCC1 2230a_100000210473_100000210759 [1,0,0,1,0,0|1,0,1]=4 7221 B16R1.643 CCCCCCCCNCC1CCCCC1 2230a_100000229939_100000211423 [1,0,0,1,0,0|1,0,1]=4 7222 B16R1.643 CCCCCCCCNCC1CCCCC1 269862a_100000229939_100000211278 [1,0,0,1,0,0|1,0,1]=4 7223 B16R1.643 CCCCCCCCNCC1CCCCC1 34a_100000210473_100000210759 [1,0,0,1,0,0|1,0,1]=4 7224 B16R1.643 CCCCCCCCNCC1CCCCC1 34a_100000229939_100000211423 [1,0,0,1,0,0|1,0,1]=4 7225 B16R1.643 CCCCCCCCNCC1CCCCO1 2230a_100000174945_100000210759 [1,0,0,1,0,0|1,0,1]=4 7226 B16R1.643 CCCCCCCCNCC1CCCCO1 2230a_100000229939_100000211543 [1,0,0,1,0,0|1,0,1]=4 7227 B16R1.643 CCCCCCCCNCC1CCCCO1 34a_100000174945_100000210759 [1,0,0,1,0,0|1,0,1]=4 7228 B16R1.643 CCCCCCCCNCC1CCCCO1 34a_100000229939_100000211543 [1,0,0,1,0,0|1,0,1]=4 7229 B16R1.643 CCCCCCCCOCC1CCCCC1 34a_100000210232_100000211423 [1,0,0,1,0,0|1,0,1]=4 7230 B16R1.643 CCCCCCCCOCC1CCCCC1 34a_100000212181_100000210759 [1,0,0,1,0,0|1,0,1]=4 7231 B16R1.643 CCCCCCCCOCC1CCCCC1 7a_100000210232_100000211423 [1,0,0,1,0,0|1,0,1]=4 7232 B16R1.643 CCCCCCCCOCC1CCCCC1 7a_100000212181_100000210759 [1,0,0,1,0,0|1,0,1]=4 7233 B16R1.643 CCCCCCCCOCC1CCCCN1 34a_100000210821_100000210759 [1,0,0,1,0,0|2,0,0]=4 7234 B16R1.643 CCCCCCCCOCC1CCCCO1 34a_100000210232_100000211543 [1,0,0,1,0,0|1,0,1]=4 7235 B16R1.643 CCCCCCCCOCC1CCCCO1 34a_100000211370_100000210759 [1,0,0,1,0,0|1,0,1]=4 7236 B16R1.643 CCCCCCCCOCC1CCCCO1 7a_100000210232_100000211543 [1,0,0,1,0,0|1,0,1]=4 7237 B16R1.643 CCCCCCCCOCC1CCCCO1 7a_100000211370_100000210759 [1,0,0,1,0,0|1,0,1]=4 7238 B16R1.643 CCCCCCCCSCC1CCCCO1 62a_100000210759_100000211543 [1,0,0,1,0,0|1,0,1]=4 7239 B16R1.643 CCCCCCCCSCC1CCCCO1 62a_100000211543_100000210317 [1,0,0,1,0,0|1,0,1]=4 7240 B16R1.643 CCCCCCCNCCC1=CCCCC1 2230a_100000212019_100000210681 [1,0,0,1,0,0|1,0,1]=4 7241 B16R1.643 CCCCCCCNCCC1=CCCCC1 34a_100000212019_100000210614 [1,0,0,1,0,0|1,0,1]=4 7242 B16R1.643 CCCCCCCNCCC1CCCCC1 2230a_100000229938_100012355289 [1,0,0,1,0,0|1,0,1]=4 7243 B16R1.643 CCCCCCCNCCC1CCCCC1 2230a_100000738074_100000210681 [1,0,0,1,0,0|1,0,1]=4 7244 B16R1.643 CCCCCCCNCCC1CCCCC1 270004a_100000229938_100011713444 [1,0,0,1,0,0|1,0,1]=4 7245 B16R1.643 CCCCCCCNCCC1CCCCC1 34a_100000738074_100000210614 [1,0,0,1,0,0|1,0,1]=4 7246 B16R1.643 CCCCCCCNCCC1CCCCO1 2230a_100015183643_100000210681 [1,0,0,1,0,0|1,0,1]=4 7247 B16R1.643 CCCCCCCNCCC1CCCCO1 34a_100015183643_100000210614 [1,0,0,1,0,0|1,0,1]=4 7248 B16R1.643 CCCCCCCOCCC1CCCCC1 34a_100000210272_100011209188 [1,0,0,1,0,0|1,0,1]=4 7249 B16R1.643 CCCCCCCOCCC1CCCCC1 34a_100011217863_100000210614 [1,0,0,1,0,0|1,0,1]=4 7250 B16R1.643 CCCCCCCOCCC1CCCCC1 7a_100000210272_100011273959 [1,0,0,1,0,0|1,0,1]=4 7251 B16R1.643 CCCCCCCOCCC1CCCCC1 7a_100011217863_100000210614 [1,0,0,1,0,0|1,0,1]=4 7252 B16R1.643 CCCCCCCOCCC1CCCCN1 34a_100000211664_100000210614 [1,0,0,1,0,0|2,0,0]=4 7253 B16R1.643 CCCCCCNCCCC1CCCCC1 2230a_100000210581_100011713725 [1,0,0,1,0,0|1,0,1]=4 7254 B16R1.643 CCCCCCNCCCC1CCCCC1 2230a_100011211642_100000210314 [1,0,0,1,0,0|1,0,1]=4 7255 B16R1.643 CCCCCCNCCCC1CCCCC1 34a_100011211642_100000210314 [1,0,0,1,0,0|1,0,1]=4 7256 B16R1.643 CCCCCCOCCCC1CCCCC1 34a_100000198086_100000210314 [1,0,0,1,0,0|1,0,1]=4 7257 B16R1.643 CCCCCCOCCCC1CCCCC1 34a_100000210259_100011713725 [1,0,0,1,0,0|1,0,1]=4 7258 B16R1.643 CCCCCCOCCCC1CCCCC1 7a_100000198086_100000210314 [1,0,0,1,0,0|1,0,1]=4 7259 B16R1.643 CCCCCCOCCCC1CCCCC1 7a_100000210259_100011713725 [1,0,0,1,0,0|1,0,1]=4 7260 B16R1.643 CCCCCCOCCCC1CCCCN1 34a_100011934581_100000210314 [1,0,0,1,0,0|2,0,0]=4 7261 B16R1.643 CCCCCOCCCCC1CCCCC1 34a_100011215267_100000718602 [1,0,0,1,0,0|1,0,1]=4 7262 B16R1.643 CCCCCOCCCCC1CCCCC1 7a_100011215267_100000210326 [1,0,0,1,0,0|1,0,1]=4 7263 B16R1.643 ClCCCCCCCCOC1CCCCC1 34a_100000033203_100000210327 [1,0,0,1,0,0|2,0,0]=4 7264 B16R1.643 ClCCCCCCCCOC1CCCCC1 7a_100000033203_100000210327 [1,0,0,1,0,0|2,0,0]=4 7265 B16R1.643 ClCCCCCCOCCC1CCCCC1 34a_100000766143_100011209188 [1,0,0,1,0,0|2,0,0]=4 7266 B16R1.643 ClCCCCCCOCCC1CCCCC1 7a_100000766143_100011273959 [1,0,0,1,0,0|2,0,0]=4 7267 B16R1.643 ClCCCCCOCCCC1CCCCC1 34a_100000746330_100011713725 [1,0,0,1,0,0|2,0,0]=4 7268 B16R1.643 ClCCCCCOCCCC1CCCCC1 7a_100000746330_100011713725 [1,0,0,1,0,0|2,0,0]=4 7269 B16R1.643 FCCCCCCNCCC1CCCCC1 2230a_100000738074_100015922095 [1,0,0,1,0,0|2,0,0]=4 7270 B16R1.643 FCCCCCCNCCC1CCCCC1 34a_100000738074_100015922095 [1,0,0,1,0,0|2,0,0]=4 7271 B16R1.643 FCCCCCCOCCC1CCCCC1 34a_100000732779_100011209188 [1,0,0,1,0,0|2,0,0]=4 7272 B16R1.643 FCCCCCCOCCC1CCCCC1 34a_100011217863_100015922095 [1,0,0,1,0,0|2,0,0]=4 7273 B16R1.643 FCCCCCCOCCC1CCCCC1 7a_100000732779_100011273959 [1,0,0,1,0,0|2,0,0]=4 7274 B16R1.643 FCCCCCCOCCC1CCCCC1 7a_100011217863_100015922095 [1,0,0,1,0,0|2,0,0]=4 7275 B16R1.643 FCCCCCNCCCC1CCCCC1 2230a_100011211642_100000729378 [1,0,0,1,0,0|2,0,0]=4 7276 B16R1.643 FCCCCCNCCCC1CCCCC1 34a_100011211642_100000729378 [1,0,0,1,0,0|2,0,0]=4 7277 B16R1.643 FCCCCCOCCCC1CCCCC1 34a_100000198086_100000729378 [1,0,0,1,0,0|2,0,0]=4 7278 B16R1.643 FCCCCCOCCCC1CCCCC1 7a_100000198086_100000729378 [1,0,0,1,0,0|2,0,0]=4 7279 B16R1.643 FCCCCOCCCCC1CCCCC1 34a_100011215267_100000729493 [1,0,0,1,0,0|2,0,0]=4 7280 B16R1.643 FCCCCOCCCCC1CCCCC1 7a_100011215267_100000729493 [1,0,0,1,0,0|2,0,0]=4 7281 B16R1.643 ICCCCCOCCCC1CCCCC1 34a_200012148887_100011713725 [1,0,0,1,0,0|2,0,0]=4 7282 B16R1.643 ICCCCCOCCCC1CCCCC1 7a_200012148887_100011713725 [1,0,0,1,0,0|2,0,0]=4 7283 B16R1.643 NCCCCCCCCOC1CCCCC1 34a_102515433106_100000210327 [1,0,0,1,0,0|2,0,0]=4 7284 B16R1.643 NCCCCCCCOCC1CCCCC1 34a_100011996573_100000211423 [1,0,0,1,0,0|2,0,0]=4 7285 B16R1.643 NCCCCCCOCCC1CCCCC1 34a_100000686447_100011209188 [1,0,0,1,0,0|2,0,0]=4 7286 B16R1.643 NCCCCCOCCCC1CCCCC1 34a_100000762737_100011713725 [1,0,0,1,0,0|2,0,0]=4 7287 B16R1.643 O=CCCCCCNCCC1CCCCC1 2230a_100000738074_100000139337 [1,0,0,1,0,0|1,0,0]=3 7288 B16R1.643 O=CCCCCCNCCC1CCCCO1 2230a_100015183643_100000139337 [1,0,0,1,0,0|2,0,0]=4 7289 B16R1.643 O=CCCCCCNCCC1CCOCC1 2230a_100000755988_100000139337 [1,0,0,1,0,0|2,0,0]=4 7290 B16R1.643 O=CCCCCCOCCC1CCCCC1 7a_100011217863_100000139337 [1,0,0,1,0,0|1,0,0]=3 7291 B16R1.643 O=CCCCCCOCCC1CCOCC1 7a_100011933979_100000139337 [1,0,0,1,0,0|2,0,0]=4 7292 B16R1.643 O=CCCCCCSCCC1CCCCC1 62a_100000139337_100012355289 [1,0,0,1,0,0|1,0,0]=3 7293 B16R1.643 O=CCCCCCSCCC1CCCCC1 62a_100012355289_100000139337 [1,0,0,1,0,0|1,0,0]=3 7294 B16R1.643 O=CCCCCCSCCC1CCOCC1 62a_100000139337_100011934994 [1,0,0,1,0,0|2,0,0]=4 7295 B16R1.643 O=CCCCCCSCCC1CCOCC1 62a_100011934994_100000139337 [1,0,0,1,0,0|2,0,0]=4 7296 B16R1.643 O=CCCCCCSCCN1CCCCC1 62a_100000139337_100000739454 [1,0,0,1,0,0|2,0,0]=4 7297 B16R1.643 O=CCCCCCSCCN1CCCCC1 62a_100000739454_100000139337 [1,0,0,1,0,0|2,0,0]=4 7298 B16R1.643 O=CCCCCCSCOC1CCCCC1 62a_100000139337_100011935260 [1,0,0,1,0,0|2,0,0]=4 7299 B16R1.643 O=CCCCCCSCOC1CCCCC1 62a_100011935260_100000139337 [1,0,0,1,0,0|2,0,0]=4 7300 B16R1.643 O=CCCCCNCCCC1CCCCC1 2230a_100011211642_100000139335 [1,0,0,1,0,0|1,0,0]=3 7301 B16R1.643 O=CCCCCOCCCC1CCCCC1 7a_100000198086_100000139335 [1,0,0,1,0,0|1,0,0]=3 7302 B16R1.643 O=CCCCCOCCOC1CCCCC1 7a_100011249652_100000139335 [1,0,0,1,0,0|2,0,0]=4 7303 B16R1.643 O=CCCCCSCCCC1CCCCC1 62a_100000139335_100011713725 [1,0,0,1,0,0|1,0,0]=3 7304 B16R1.643 O=CCCCCSCCCC1CCCCC1 62a_100011713725_100000139335 [1,0,0,1,0,0|1,0,0]=3 7305 B16R1.643 O=CCCCCSCCCN1CCCCC1 62a_100000139335_100000007876 [1,0,0,1,0,0|2,0,0]=4 7306 B16R1.643 O=CCCCCSCCCN1CCCCC1 62a_100132302099_100000139335 [1,0,0,1,0,0|2,0,0]=4 7307 B16R1.643 O=CCCCCSCCOC1CCCCC1 62a_100000139335_100011211530 [1,0,0,1,0,0|2,0,0]=4 7308 B16R1.643 O=CCCCCSCCOC1CCCCC1 62a_100011211530_100000139335 [1,0,0,1,0,0|2,0,0]=4 7309 B16R1.643 O=CCCCOCCCCC1CCCCC1 7a_100011215267_200011292268 [1,0,0,1,0,0|1,0,0]=3 7310 B16R1.643 OCCCCCCCCNC1CCCCC1 2230a_100000182618_100000033203 [1,0,0,1,0,0|1,0,1]=4 7311 B16R1.643 OCCCCCCCCNC1CCCCC1 270004a_102515433106_100000210434 [1,0,0,1,0,0|1,0,1]=4 7312 B16R1.643 OCCCCCCCCNC1CCCCC1 34a_100000182618_100000033203 [1,0,0,1,0,0|1,0,1]=4 7313 B16R1.643 OCCCCCCCCNC1CCCCC1 34a_102515433106_100000210327 [1,0,0,1,0,0|1,0,1]=4 7314 B16R1.643 OCCCCCCCCOC1CCCCC1 34a_100000210231_100000033203 [1,0,0,1,0,0|1,0,1]=4 7315 B16R1.643 OCCCCCCCCOC1CCCCC1 7a_100000210231_100000033203 [1,0,0,1,0,0|1,0,1]=4 7316 B16R1.643 OCCCCCCCCSC1CCCCC1 62a_100000033203_100000210327 [1,0,0,1,0,0|1,0,1]=4 7317 B16R1.643 OCCCCCCCCSC1CCCCC1 62a_100000210327_100000033203 [1,0,0,1,0,0|1,0,1]=4 7318 B16R1.643 OCCCCCCCNCC1CCCCC1 2230a_100000210473_100000760002 [1,0,0,1,0,0|1,0,1]=4 7319 B16R1.643 OCCCCCCCNCC1CCCCC1 2230a_100011996573_100000211423 [1,0,0,1,0,0|1,0,1]=4 7320 B16R1.643 OCCCCCCCNCC1CCCCC1 269862a_100011996573_100000211278 [1,0,0,1,0,0|1,0,1]=4 7321 B16R1.643 OCCCCCCCNCC1CCCCC1 34a_100000210473_100000760002 [1,0,0,1,0,0|1,0,1]=4 7322 B16R1.643 OCCCCCCCNCC1CCCCC1 34a_100011996573_100000211423 [1,0,0,1,0,0|1,0,1]=4 7323 B16R1.643 OCCCCCCCOCC1CCCCC1 34a_100000212181_100000760002 [1,0,0,1,0,0|1,0,1]=4 7324 B16R1.643 OCCCCCCCOCC1CCCCC1 7a_100000212181_100000760002 [1,0,0,1,0,0|1,0,1]=4 7325 B16R1.643 OCCCCCCCSCC1CCCCC1 62a_100000211423_100000760002 [1,0,0,1,0,0|1,0,1]=4 7326 B16R1.643 OCCCCCCCSCC1CCCCC1 62a_100000760002_100000211423 [1,0,0,1,0,0|1,0,1]=4 7327 B16R1.643 OCCCCCCNCCC1CCCCC1 2230a_100000686447_100012355289 [1,0,0,1,0,0|1,0,1]=4 7328 B16R1.643 OCCCCCCNCCC1CCCCC1 2230a_100000738074_100000766143 [1,0,0,1,0,0|1,0,1]=4 7329 B16R1.643 OCCCCCCNCCC1CCCCC1 270004a_100000686447_100011713444 [1,0,0,1,0,0|1,0,1]=4 7330 B16R1.643 OCCCCCCNCCC1CCCCC1 34a_100000686447_100011209188 [1,0,0,1,0,0|1,0,1]=4 7331 B16R1.643 OCCCCCCNCCC1CCCCC1 34a_100000738074_100000766143 [1,0,0,1,0,0|1,0,1]=4 7332 B16R1.643 OCCCCCCOCCC1CCCCC1 34a_100011217863_100000766143 [1,0,0,1,0,0|1,0,1]=4 7333 B16R1.643 OCCCCCCOCCC1CCCCC1 7a_100011217863_100000766143 [1,0,0,1,0,0|1,0,1]=4 7334 B16R1.643 OCCCCCCSCCC1CCCCC1 62a_100000766143_100012355289 [1,0,0,1,0,0|1,0,1]=4 7335 B16R1.643 OCCCCCCSCCC1CCCCC1 62a_100012355289_100000766143 [1,0,0,1,0,0|1,0,1]=4 7336 B16R1.643 OCCCCCNCCCC1CCCCC1 2230a_100000762737_100011713725 [1,0,0,1,0,0|1,0,1]=4 7337 B16R1.643 OCCCCCNCCCC1CCCCC1 2230a_100011211642_100000746330 [1,0,0,1,0,0|1,0,1]=4 7338 B16R1.643 OCCCCCNCCCC1CCCCC1 34a_100000762737_100011713725 [1,0,0,1,0,0|1,0,1]=4 7339 B16R1.643 OCCCCCNCCCC1CCCCC1 34a_100011211642_100000746330 [1,0,0,1,0,0|1,0,1]=4 7340 B16R1.643 OCCCCCOCCCC1CCCCC1 34a_100000198086_100000746330 [1,0,0,1,0,0|1,0,1]=4 7341 B16R1.643 OCCCCCOCCCC1CCCCC1 7a_100000198086_100000746330 [1,0,0,1,0,0|1,0,1]=4 7342 B16R1.643 OCCCCCSCCCC1CCCCC1 62a_100000746330_100011713725 [1,0,0,1,0,0|1,0,1]=4 7343 B16R1.643 OCCCCCSCCCC1CCCCC1 62a_100011713725_100000746330 [1,0,0,1,0,0|1,0,1]=4 7344 B16R1.643 OCCCCOCCCCC1CCCCC1 34a_100011215267_100011216708 [1,0,0,1,0,0|1,0,1]=4 7345 B16R1.643 OCCCCOCCCCC1CCCCC1 7a_100011215267_100000210776 [1,0,0,1,0,0|1,0,1]=4 7346 B16R1.662 CCCCCCCNC1CCCCNC1=O 2230a_100000229938_100000735217 [1,0,0,1,0,0|2,0,0]=4 7347 B16R1.662 CCCCCCCNC1CCCCNC1=O 2230a_100000698827_100000210681 [1,0,0,1,0,0|2,0,0]=4 7348 B16R1.662 CCCCCCCNC1CCCCNC1=O 34a_100000698827_100000210614 [1,0,0,1,0,0|2,0,0]=4 7349 B16R1.662 CCCCCCCOC1CCCCCC1=O 7a_100000210272_100000243696 [1,0,0,1,0,0|1,0,0]=3 7350 B16R1.662 CCCCCCCOC1CCCCNC1=O 7a_100000210272_100000735217 [1,0,0,1,0,0|2,0,0]=4 7351 B16R1.662 CCCCCCCSC1CCCCCC1=O 62a_100000210614_100000243696 [1,0,0,1,0,0|1,0,0]=3 7352 B16R1.662 CCCCCCCSC1CCCCCC1=O 62a_100000243696_100000210316 [1,0,0,1,0,0|1,0,0]=3 7353 B16R1.662 CCCCCCCSC1CCCCNC1=O 62a_100000210614_100000735217 [1,0,0,1,0,0|2,0,0]=4 7354 B16R1.662 CCCCCCCSC1CCCCNC1=O 62a_100000735217_100000210316 [1,0,0,1,0,0|2,0,0]=4 7355 B16R1.662 CCCCNCCCN1CCCCCC1=O 2230a_100000195386_100000210211 [1,0,0,1,0,0|2,0,0]=4 7356 B16R1.662 CCCCNCCCN1CCCCCC1=O 34a_100000195386_100000210210 [1,0,0,1,0,0|2,0,0]=4 7357 B16R1.662 CCCCOCCOC1CCCCCC1=O 7a_100000210238_100000243696 [1,0,0,1,0,0|2,0,0]=4 7358 B16R1.662 CCCCOCCSC1CCCCCC1=O 62a_100000243696_100000743108 [1,0,0,1,0,0|2,0,0]=4 7359 B16R1.662 CCCCOCCSC1CCCCCC1=O 62a_100000743108_100000243696 [1,0,0,1,0,0|2,0,0]=4 7360 B16R1.662 CCCCSCCOC1CCCCCC1=O 7a_200000230436_100000243696 [1,0,0,1,0,0|2,0,0]=4 7361 B16R1.662 O=C1CCCCCC1OCCCCCCBr 7a_100011215345_100000243696 [1,0,0,1,0,0|2,0,0]=4 7362 B16R1.662 O=C1CCCCCC1OCCCCCCCl 7a_100000766143_100000243696 [1,0,0,1,0,0|2,0,0]=4 7363 B16R1.662 O=C1CCCCCC1OCCCCCCF 7a_100000732779_100000243696 [1,0,0,1,0,0|2,0,0]=4 7364 B16R1.662 O=C1CCCCCC1SCCCCCCF 62a_100000243696_100015922095 [1,0,0,1,0,0|2,0,0]=4 7365 B16R1.662 O=C1CCCCCC1SCCCCCCF 62a_100015922095_100000243696 [1,0,0,1,0,0|2,0,0]=4 7366 B16R1.662 O=C1CCCCCC1SCCCCCCO 62a_100000243696_100000766143 [1,0,0,1,0,0|2,0,0]=4 7367 B16R1.662 O=C1CCCCCC1SCCCCCCO 62a_100000766143_100000243696 [1,0,0,1,0,0|2,0,0]=4 7368 B16R1.1193 BrCCCCCCCCOCC1CCCC1 34a_100009813846_100000740388 [1,0,0,1,0,0|2,0,0]=4 7369 B16R1.1193 BrCCCCCCCCOCC1CCCC1 7a_100009813846_100000740388 [1,0,0,1,0,0|2,0,0]=4 7370 B16R1.1193 BrCCCCCCCOCCC1CCCC1 34a_100000760002_100000760354 [1,0,0,1,0,0|2,0,0]=4 7371 B16R1.1193 BrCCCCCCCOCCC1CCCC1 7a_100000760002_100000760354 [1,0,0,1,0,0|2,0,0]=4 7372 B16R1.1193 BrCCCCCCOCCCC1CCCC1 34a_100011215345_100011713738 [1,0,0,1,0,0|2,0,0]=4 7373 B16R1.1193 BrCCCCCCOCCCC1CCCC1 7a_100011215345_100011713738 [1,0,0,1,0,0|2,0,0]=4 7374 B16R1.1193 C=CCCCCCCCCCN1CCCC1 2230a_100000188435_100009814027 [1,0,0,1,0,0|1,0,1]=4 7375 B16R1.1193 C=CCCCCCCCCCN1CCCC1 269982a_100000188435_100009814027 [1,0,0,1,0,0|1,0,1]=4 7376 B16R1.1193 C=CCCCCCCCCNC1CCCC1 2230a_100000211070_100011933949 [1,0,0,1,0,0|1,0,1]=4 7377 B16R1.1193 C=CCCCCCCCCNC1CCCC1 34a_100000211070_100011933949 [1,0,0,1,0,0|1,0,1]=4 7378 B16R1.1193 C=CCCCCCCCCOC1CCCC1 34a_100000210269_100011933949 [1,0,0,1,0,0|1,0,1]=4 7379 B16R1.1193 C=CCCCCCCCCOC1CCCC1 34a_100011215194_100000179811 [1,0,0,1,0,0|1,0,1]=4 7380 B16R1.1193 C=CCCCCCCCCOC1CCCC1 7a_100000210269_100011933949 [1,0,0,1,0,0|1,0,1]=4 7381 B16R1.1193 C=CCCCCCCCCOC1CCCC1 7a_100011215194_100000179811 [1,0,0,1,0,0|1,0,1]=4 7382 B16R1.1193 C=CCCCCCCCNCC1CCCC1 2230a_100000737975_100012355270 [1,0,0,1,0,0|1,0,1]=4 7383 B16R1.1193 C=CCCCCCCCNCC1CCCC1 34a_100000737975_100012355270 [1,0,0,1,0,0|1,0,1]=4 7384 B16R1.1193 C=CCCCCCCCOCC1CCCC1 34a_100000730831_100000740388 [1,0,0,1,0,0|1,0,1]=4 7385 B16R1.1193 C=CCCCCCCCOCC1CCCC1 34a_100000742336_100012355270 [1,0,0,1,0,0|1,0,1]=4 7386 B16R1.1193 C=CCCCCCCCOCC1CCCC1 7a_100000730831_100000740388 [1,0,0,1,0,0|1,0,1]=4 7387 B16R1.1193 C=CCCCCCCCOCC1CCCC1 7a_100000742336_100012355270 [1,0,0,1,0,0|1,0,1]=4 7388 B16R1.1193 C=CCCCCCCNCCC1CCCC1 2230a_100000739158_100011215473 [1,0,0,1,0,0|1,0,1]=4 7389 B16R1.1193 C=CCCCCCCNCCC1CCCC1 34a_100000739158_100011215473 [1,0,0,1,0,0|1,0,1]=4 7390 B16R1.1193 C=CCCCCCCOCCC1CCCC1 34a_100000749090_100011215473 [1,0,0,1,0,0|1,0,1]=4 7391 B16R1.1193 C=CCCCCCCOCCC1CCCC1 34a_200011216477_100000760354 [1,0,0,1,0,0|1,0,1]=4 7392 B16R1.1193 C=CCCCCCCOCCC1CCCC1 7a_100000749090_100011215473 [1,0,0,1,0,0|1,0,1]=4 7393 B16R1.1193 C=CCCCCCCOCCC1CCCC1 7a_200011216477_100000760354 [1,0,0,1,0,0|1,0,1]=4 7394 B16R1.1193 C=CCCCCCNCCCC1CCCC1 2230a_100000736752_100000700193 [1,0,0,1,0,0|1,0,1]=4 7395 B16R1.1193 C=CCCCCCNCCCC1CCCC1 34a_100000736752_100000700193 [1,0,0,1,0,0|1,0,1]=4 7396 B16R1.1193 C=CCCCCCOCCCC1CCCC1 34a_100011215328_100000700193 [1,0,0,1,0,0|1,0,1]=4 7397 B16R1.1193 C=CCCCCCOCCCC1CCCC1 34a_100011216702_100011713738 [1,0,0,1,0,0|1,0,1]=4 7398 B16R1.1193 C=CCCCCCOCCCC1CCCC1 7a_100011215328_100000700193 [1,0,0,1,0,0|1,0,1]=4 7399 B16R1.1193 C=CCCCCCOCCCC1CCCC1 7a_100011216702_100011713738 [1,0,0,1,0,0|1,0,1]=4 7400 B16R1.1193 CCCCCCCCCCCN1CCCC1 2230a_100000188435_100011215454 [1,0,0,1,0,0|1,0,1]=4 7401 B16R1.1193 CCCCCCCCCCCN1CCCC1 269982a_100000188435_100011215454 [1,0,0,1,0,0|1,0,1]=4 7402 B16R1.1193 CCCCCCCCCCNC1CCCC1 2230a_100000211070_100000210320 [1,0,0,1,0,0|1,0,1]=4 7403 B16R1.1193 CCCCCCCCCCNC1CCCC1 2230a_100000684558_100000179811 [1,0,0,1,0,0|1,0,1]=4 7404 B16R1.1193 CCCCCCCCCCNC1CCCC1 270004a_100000684558_100000210133 [1,0,0,1,0,0|1,0,1]=4 7405 B16R1.1193 CCCCCCCCCCNC1CCCC1 34a_100000211070_100000210320 [1,0,0,1,0,0|1,0,1]=4 7406 B16R1.1193 CCCCCCCCCCNC1CCCC1 34a_100000684558_100000179811 [1,0,0,1,0,0|1,0,1]=4 7407 B16R1.1193 CCCCCCCCCCOC1CCCO1 34a_100000085407_100000210320 [1,0,0,1,0,0|1,0,1]=4 7408 B16R1.1193 CCCCCCCCCNCC1CCCC1 2230a_100000212291_100000740388 [1,0,0,1,0,0|1,0,1]=4 7409 B16R1.1193 CCCCCCCCCNCC1CCCC1 2230a_100000737975_100011214924 [1,0,0,1,0,0|1,0,1]=4 7410 B16R1.1193 CCCCCCCCCNCC1CCCC1 269862a_100000212291_100000746403 [1,0,0,1,0,0|1,0,1]=4 7411 B16R1.1193 CCCCCCCCCNCC1CCCC1 34a_100000212291_100000740388 [1,0,0,1,0,0|1,0,1]=4 7412 B16R1.1193 CCCCCCCCCNCC1CCCC1 34a_100000737975_100011214924 [1,0,0,1,0,0|1,0,1]=4 7413 B16R1.1193 CCCCCCCCCNCC1CCCO1 2230a_100000212291_100000203698 [1,0,0,1,0,0|1,0,1]=4 7414 B16R1.1193 CCCCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100011214924 [1,0,0,1,0,0|1,0,1]=4 7415 B16R1.1193 CCCCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100011214924 [1,0,0,1,0,0|1,0,1]=4 7416 B16R1.1193 CCCCCCCCCOCC1CCCC1 34a_100000210712_100000740388 [1,0,0,1,0,0|1,0,1]=4 7417 B16R1.1193 CCCCCCCCCOCC1CCCC1 34a_100000742336_100011214924 [1,0,0,1,0,0|1,0,1]=4 7418 B16R1.1193 CCCCCCCCCOCC1CCCC1 7a_100000210712_100000740388 [1,0,0,1,0,0|1,0,1]=4 7419 B16R1.1193 CCCCCCCCCOCC1CCCC1 7a_100000742336_100000210328 [1,0,0,1,0,0|1,0,1]=4 7420 B16R1.1193 CCCCCCCCCOCC1CCCO1 34a_100000210270_100011214924 [1,0,0,1,0,0|1,0,1]=4 7421 B16R1.1193 CCCCCCCCCOCC1CCCO1 7a_100000210270_100000210328 [1,0,0,1,0,0|1,0,1]=4 7422 B16R1.1193 CCCCCCCCCOCC1CCCO1 7a_100000210712_100000203698 [1,0,0,1,0,0|1,0,1]=4 7423 B16R1.1193 CCCCCCCCCOC[C@H]1CCCN1 34a_100000745186_100011214924 [1,0,0,1,0,0|2,0,0]=4 7424 B16R1.1193 CCCCCCCCCSCC1CCCO1 62a_100000203698_100000210670 [1,0,0,1,0,0|1,0,1]=4 7425 B16R1.1193 CCCCCCCCNCCC1CCCC1 2230a_100000229939_100000760354 [1,0,0,1,0,0|1,0,1]=4 7426 B16R1.1193 CCCCCCCCNCCC1CCCC1 2230a_100000739158_100000210759 [1,0,0,1,0,0|1,0,1]=4 7427 B16R1.1193 CCCCCCCCNCCC1CCCC1 34a_100000229939_100000760354 [1,0,0,1,0,0|1,0,1]=4 7428 B16R1.1193 CCCCCCCCNCCC1CCCC1 34a_100000739158_100000210759 [1,0,0,1,0,0|1,0,1]=4 7429 B16R1.1193 CCCCCCCCOCCC1CCCC1 34a_100000210232_100000760354 [1,0,0,1,0,0|1,0,1]=4 7430 B16R1.1193 CCCCCCCCOCCC1CCCC1 34a_100000749090_100000210759 [1,0,0,1,0,0|1,0,1]=4 7431 B16R1.1193 CCCCCCCCOCCC1CCCC1 7a_100000210232_100000760354 [1,0,0,1,0,0|1,0,1]=4 7432 B16R1.1193 CCCCCCCCOCCC1CCCC1 7a_100000749090_100000210759 [1,0,0,1,0,0|1,0,1]=4 7433 B16R1.1193 CCCCCCCNCCCC1CCCC1 2230a_100000229938_100011713738 [1,0,0,1,0,0|1,0,1]=4 7434 B16R1.1193 CCCCCCCNCCCC1CCCC1 2230a_100000736752_100000210681 [1,0,0,1,0,0|1,0,1]=4 7435 B16R1.1193 CCCCCCCNCCCC1CCCC1 34a_100000736752_100000210614 [1,0,0,1,0,0|1,0,1]=4 7436 B16R1.1193 CCCCCCCOCCCC1CCCC1 34a_100000210272_100011713738 [1,0,0,1,0,0|1,0,1]=4 7437 B16R1.1193 CCCCCCCOCCCC1CCCC1 34a_100011215328_100000210614 [1,0,0,1,0,0|1,0,1]=4 7438 B16R1.1193 CCCCCCCOCCCC1CCCC1 7a_100000210272_100011713738 [1,0,0,1,0,0|1,0,1]=4 7439 B16R1.1193 CCCCCCCOCCCC1CCCC1 7a_100011215328_100000210614 [1,0,0,1,0,0|1,0,1]=4 7440 B16R1.1193 ClCCCCCCCCCOC1CCCC1 34a_100009868337_100000179811 [1,0,0,1,0,0|2,0,0]=4 7441 B16R1.1193 ClCCCCCCCCCOC1CCCC1 7a_100009868337_100000179811 [1,0,0,1,0,0|2,0,0]=4 7442 B16R1.1193 ClCCCCCCCCOCC1CCCC1 34a_100000033203_100000740388 [1,0,0,1,0,0|2,0,0]=4 7443 B16R1.1193 ClCCCCCCCCOCC1CCCC1 7a_100000033203_100000740388 [1,0,0,1,0,0|2,0,0]=4 7444 B16R1.1193 ClCCCCCCOCCCC1CCCC1 34a_100000766143_100011713738 [1,0,0,1,0,0|2,0,0]=4 7445 B16R1.1193 ClCCCCCCOCCCC1CCCC1 7a_100000766143_100011713738 [1,0,0,1,0,0|2,0,0]=4 7446 B16R1.1193 FCCCCCCNCCCC1CCCC1 2230a_100000736752_100015922095 [1,0,0,1,0,0|2,0,0]=4 7447 B16R1.1193 FCCCCCCNCCCC1CCCC1 34a_100000736752_100015922095 [1,0,0,1,0,0|2,0,0]=4 7448 B16R1.1193 FCCCCCCOCCCC1CCCC1 34a_100000732779_100011713738 [1,0,0,1,0,0|2,0,0]=4 7449 B16R1.1193 FCCCCCCOCCCC1CCCC1 34a_100011215328_100015922095 [1,0,0,1,0,0|2,0,0]=4 7450 B16R1.1193 FCCCCCCOCCCC1CCCC1 7a_100000732779_100011713738 [1,0,0,1,0,0|2,0,0]=4 7451 B16R1.1193 FCCCCCCOCCCC1CCCC1 7a_100011215328_100015922095 [1,0,0,1,0,0|2,0,0]=4 7452 B16R1.1193 NCCCCCCCCCOC1CCCC1 34a_100000078944_100000179811 [1,0,0,1,0,0|2,0,0]=4 7453 B16R1.1193 NCCCCCCCCOCC1CCCC1 34a_102515433106_100000740388 [1,0,0,1,0,0|2,0,0]=4 7454 B16R1.1193 NCCCCCCCOCCC1CCCC1 34a_100011996573_100000760354 [1,0,0,1,0,0|2,0,0]=4 7455 B16R1.1193 NCCCCCCOCCCC1CCCC1 34a_100000686447_100011713738 [1,0,0,1,0,0|2,0,0]=4 7456 B16R1.1193 O=CCCCCCNCCCC1CCCC1 2230a_100000736752_100000139337 [1,0,0,1,0,0|1,0,0]=3 7457 B16R1.1193 O=CCCCCCOCCCC1CCCC1 7a_100011215328_100000139337 [1,0,0,1,0,0|1,0,0]=3 7458 B16R1.1193 O=CCCCCCOCCOC1CCCC1 7a_100000738311_100000139337 [1,0,0,1,0,0|2,0,0]=4 7459 B16R1.1193 O=CCCCCCSCCCC1CCCC1 62a_100000139337_100011713738 [1,0,0,1,0,0|1,0,0]=3 7460 B16R1.1193 O=CCCCCCSCCCC1CCCC1 62a_100011713738_100000139337 [1,0,0,1,0,0|1,0,0]=3 7461 B16R1.1193 O=CCCCCCSCCCN1CCCC1 62a_100000139337_100011445909 [1,0,0,1,0,0|2,0,0]=4 7462 B16R1.1193 O=CCCCCCSCCCN1CCCC1 62a_100016991639_100000139337 [1,0,0,1,0,0|2,0,0]=4 7463 B16R1.1193 OCCCCCCCCCCN1CCCC1 2230a_100000188435_100009813290 [1,0,0,1,0,0|1,0,1]=4 7464 B16R1.1193 OCCCCCCCCCCN1CCCC1 269982a_100000188435_100009813290 [1,0,0,1,0,0|1,0,1]=4 7465 B16R1.1193 OCCCCCCCCCNC1CCCC1 2230a_100000078944_100000179811 [1,0,0,1,0,0|1,0,1]=4 7466 B16R1.1193 OCCCCCCCCCNC1CCCC1 2230a_100000211070_100009813782 [1,0,0,1,0,0|1,0,1]=4 7467 B16R1.1193 OCCCCCCCCCNC1CCCC1 270004a_100000078944_100000210133 [1,0,0,1,0,0|1,0,1]=4 7468 B16R1.1193 OCCCCCCCCCNC1CCCC1 34a_100000078944_100000179811 [1,0,0,1,0,0|1,0,1]=4 7469 B16R1.1193 OCCCCCCCCCNC1CCCC1 34a_100000211070_100009813782 [1,0,0,1,0,0|1,0,1]=4 7470 B16R1.1193 OCCCCCCCCCOC1CCCC1 34a_100000210269_100009813782 [1,0,0,1,0,0|1,0,1]=4 7471 B16R1.1193 OCCCCCCCCCOC1CCCC1 7a_100000210269_100009813782 [1,0,0,1,0,0|1,0,1]=4 7472 B16R1.1193 OCCCCCCCCCSC1CCCC1 62a_100009813782_100000179811 [1,0,0,1,0,0|1,0,1]=4 7473 B16R1.1193 OCCCCCCCCCSC1CCCC1 62a_100011217020_100009813782 [1,0,0,1,0,0|1,0,1]=4 7474 B16R1.1193 OCCCCCCCCNCC1CCCC1 2230a_100000737975_100000033203 [1,0,0,1,0,0|1,0,1]=4 7475 B16R1.1193 OCCCCCCCCNCC1CCCC1 2230a_102515433106_100000740388 [1,0,0,1,0,0|1,0,1]=4 7476 B16R1.1193 OCCCCCCCCNCC1CCCC1 269862a_102515433106_100000746403 [1,0,0,1,0,0|1,0,1]=4 7477 B16R1.1193 OCCCCCCCCNCC1CCCC1 34a_100000737975_100000033203 [1,0,0,1,0,0|1,0,1]=4 7478 B16R1.1193 OCCCCCCCCNCC1CCCC1 34a_102515433106_100000740388 [1,0,0,1,0,0|1,0,1]=4 7479 B16R1.1193 OCCCCCCCCOCC1CCCC1 34a_100000742336_100000033203 [1,0,0,1,0,0|1,0,1]=4 7480 B16R1.1193 OCCCCCCCCOCC1CCCC1 7a_100000742336_100000033203 [1,0,0,1,0,0|1,0,1]=4 7481 B16R1.1193 OCCCCCCCCSCC1CCCC1 62a_100000033203_100000740388 [1,0,0,1,0,0|1,0,1]=4 7482 B16R1.1193 OCCCCCCCCSCC1CCCC1 62a_100000740388_100000033203 [1,0,0,1,0,0|1,0,1]=4 7483 B16R1.1193 OCCCCCCCNCCC1CCCC1 2230a_100000739158_100000760002 [1,0,0,1,0,0|1,0,1]=4 7484 B16R1.1193 OCCCCCCCNCCC1CCCC1 2230a_100011996573_100000760354 [1,0,0,1,0,0|1,0,1]=4 7485 B16R1.1193 OCCCCCCCNCCC1CCCC1 34a_100000739158_100000760002 [1,0,0,1,0,0|1,0,1]=4 7486 B16R1.1193 OCCCCCCCNCCC1CCCC1 34a_100011996573_100000760354 [1,0,0,1,0,0|1,0,1]=4 7487 B16R1.1193 OCCCCCCCOCCC1CCCC1 34a_100000749090_100000760002 [1,0,0,1,0,0|1,0,1]=4 7488 B16R1.1193 OCCCCCCCOCCC1CCCC1 7a_100000749090_100000760002 [1,0,0,1,0,0|1,0,1]=4 7489 B16R1.1193 OCCCCCCCSCCC1CCCC1 62a_100000760002_100000760354 [1,0,0,1,0,0|1,0,1]=4 7490 B16R1.1193 OCCCCCCCSCCC1CCCC1 62a_100000760354_100000760002 [1,0,0,1,0,0|1,0,1]=4 7491 B16R1.1193 OCCCCCCNCCCC1CCCC1 2230a_100000686447_100011713738 [1,0,0,1,0,0|1,0,1]=4 7492 B16R1.1193 OCCCCCCNCCCC1CCCC1 2230a_100000736752_100000766143 [1,0,0,1,0,0|1,0,1]=4 7493 B16R1.1193 OCCCCCCNCCCC1CCCC1 34a_100000686447_100011713738 [1,0,0,1,0,0|1,0,1]=4 7494 B16R1.1193 OCCCCCCNCCCC1CCCC1 34a_100000736752_100000766143 [1,0,0,1,0,0|1,0,1]=4 7495 B16R1.1193 OCCCCCCOCCCC1CCCC1 34a_100011215328_100000766143 [1,0,0,1,0,0|1,0,1]=4 7496 B16R1.1193 OCCCCCCOCCCC1CCCC1 7a_100011215328_100000766143 [1,0,0,1,0,0|1,0,1]=4 7497 B16R1.1193 OCCCCCCSCCCC1CCCC1 62a_100000766143_100011713738 [1,0,0,1,0,0|1,0,1]=4 7498 B16R1.1193 OCCCCCCSCCCC1CCCC1 62a_100011713738_100000766143 [1,0,0,1,0,0|1,0,1]=4 7499 B16R1.1218 C=CCCCCCCCN1CCCCC1C 2230a_100000211376_100012355270 [1,0,0,1,0,0|1,0,1]=4 7500 B16R1.1218 C=CCCCCCCCN1CCCCC1C 269982a_100000211376_100012355270 [1,0,0,1,0,0|1,0,1]=4 7501 B16R1.1218 C=CCCCCCCCN1CCCCC1C 34a_100000211376_100012355270 [1,0,0,1,0,0|1,0,1]=4 7502 B16R1.1218 C=CCCCCCCNC1CCCCC1C 2230a_100000211402_100011215473 [1,0,0,1,0,0|1,0,1]=4 7503 B16R1.1218 C=CCCCCCCNC1CCCCC1C 34a_100000211402_100011215473 [1,0,0,1,0,0|1,0,1]=4 7504 B16R1.1218 C=CCCCCCCOC1CCCCC1C 34a_100000211207_100011215473 [1,0,0,1,0,0|1,0,1]=4 7505 B16R1.1218 C=CCCCCCCOC1CCCCC1C 7a_100000211207_100011215473 [1,0,0,1,0,0|1,0,1]=4 7506 B16R1.1218 CC1CCCCC1NCCCCCCCO 2230a_100000211402_100000760002 [1,0,0,1,0,0|1,0,1]=4 7507 B16R1.1218 CC1CCCCC1NCCCCCCCO 269862a_100011996573_100000210921 [1,0,0,1,0,0|1,0,1]=4 7508 B16R1.1218 CC1CCCCC1NCCCCCCCO 270004a_100011996573_100000210921 [1,0,0,1,0,0|1,0,1]=4 7509 B16R1.1218 CC1CCCCC1NCCCCCCCO 34a_100000211402_100000760002 [1,0,0,1,0,0|1,0,1]=4 7510 B16R1.1218 CC1CCCCC1OCCCCCCCO 34a_100000211207_100000760002 [1,0,0,1,0,0|1,0,1]=4 7511 B16R1.1218 CC1CCCCC1OCCCCCCCO 7a_100000211207_100000760002 [1,0,0,1,0,0|1,0,1]=4 7512 B16R1.1218 CC1CCCCN1CCCCCCCCO 2230a_100000211376_100000033203 [1,0,0,1,0,0|1,0,1]=4 7513 B16R1.1218 CC1CCCCN1CCCCCCCCO 269982a_100000211376_100000033203 [1,0,0,1,0,0|1,0,1]=4 7514 B16R1.1218 CC1CCCCN1CCCCCCCCO 34a_100000211376_100000033203 [1,0,0,1,0,0|1,0,1]=4 7515 B16R1.1218 CC1CCCCN1CCCOCCCC=O 7a_100000213889_200011292268 [1,0,0,1,0,0|2,0,0]=4 7516 B16R1.1218 CC1CCCCN1CCNCCCCC=O 2230a_100000739827_100000139335 [1,0,0,1,0,0|2,0,0]=4 7517 B16R1.1218 CCCCCCCCCN1CCCCC1C 2230a_100000211376_100011214924 [1,0,0,1,0,0|1,0,1]=4 7518 B16R1.1218 CCCCCCCCCN1CCCCC1C 269982a_100000211376_100000210670 [1,0,0,1,0,0|1,0,1]=4 7519 B16R1.1218 CCCCCCCCCN1CCCCC1C 34a_100000211376_100011214924 [1,0,0,1,0,0|1,0,1]=4 7520 B16R1.1218 CCCCCCCCNC1CCCCC1=O 34a_100000229939_100000754470 [1,0,0,1,0,0|1,0,0]=3 7521 B16R1.1218 CCCCCCCCNC1CCCCC1C 2230a_100000211402_100000210759 [1,0,0,1,0,0|1,0,1]=4 7522 B16R1.1218 CCCCCCCCNC1CCCCC1C 269862a_100000229939_100000210921 [1,0,0,1,0,0|1,0,1]=4 7523 B16R1.1218 CCCCCCCCNC1CCCCC1C 270004a_100000229939_100000210921 [1,0,0,1,0,0|1,0,1]=4 7524 B16R1.1218 CCCCCCCCNC1CCCCC1C 34a_100000211402_100000210759 [1,0,0,1,0,0|1,0,1]=4 7525 B16R1.1218 CCCCCCCCNC1CCCCC1F 34a_100000229939_100015423560 [1,0,0,1,0,0|2,0,0]=4 7526 B16R1.1218 CCCCCCCCNC1CCCCC1O 34a_100000229939_100000038908 [1,0,0,1,0,0|1,0,1]=4 7527 B16R1.1218 CCCCCCCCNC1CCCNC1=O 2230a_100000229939_100000687798 [1,0,0,1,0,0|2,0,0]=4 7528 B16R1.1218 CCCCCCCCNC1CCCNC1=O 2230a_100000747585_100000210759 [1,0,0,1,0,0|2,0,0]=4 7529 B16R1.1218 CCCCCCCCNC1CCCNC1=O 34a_100000229939_100000687798 [1,0,0,1,0,0|2,0,0]=4 7530 B16R1.1218 CCCCCCCCNC1CCCNC1=O 34a_100000747585_100000210759 [1,0,0,1,0,0|2,0,0]=4 7531 B16R1.1218 CCCCCCCCNC1COCCC1=O 34a_100000229939_100012180262 [1,0,0,1,0,0|2,0,0]=4 7532 B16R1.1218 CCCCCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210759 [1,0,0,1,0,0|2,0,0]=4 7533 B16R1.1218 CCCCCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210759 [1,0,0,1,0,0|2,0,0]=4 7534 B16R1.1218 CCCCCCCCOC1CCCCC1=O 34a_100000210232_100000754470 [1,0,0,1,0,0|1,0,0]=3 7535 B16R1.1218 CCCCCCCCOC1CCCCC1=O 34a_100011214950_100000210759 [1,0,0,1,0,0|1,0,0]=3 7536 B16R1.1218 CCCCCCCCOC1CCCCC1=O 7a_100000210232_100000204591 [1,0,0,1,0,0|1,0,0]=3 7537 B16R1.1218 CCCCCCCCOC1CCCCC1C 34a_100000211207_100000210759 [1,0,0,1,0,0|1,0,1]=4 7538 B16R1.1218 CCCCCCCCOC1CCCCC1C 7a_100000211207_100000210759 [1,0,0,1,0,0|1,0,1]=4 7539 B16R1.1218 CCCCCCCCOC1CCCCC1Cl 34a_100000038908_100000210759 [1,0,0,1,0,0|2,0,0]=4 7540 B16R1.1218 CCCCCCCCOC1CCCCC1Cl 7a_100000038908_100000210759 [1,0,0,1,0,0|2,0,0]=4 7541 B16R1.1218 CCCCCCCCOC1CCCCC1F 34a_100000210232_100015423560 [1,0,0,1,0,0|2,0,0]=4 7542 B16R1.1218 CCCCCCCCOC1CCCCC1O 34a_100000210232_100000038908 [1,0,0,1,0,0|1,0,1]=4 7543 B16R1.1218 CCCCCCCCOC1CCCNC1=O 34a_100000073722_100000210759 [1,0,0,1,0,0|2,0,0]=4 7544 B16R1.1218 CCCCCCCCOC1CCCNC1=O 34a_100000210232_100000687798 [1,0,0,1,0,0|2,0,0]=4 7545 B16R1.1218 CCCCCCCCOC1CCCNC1=O 7a_100000210232_100000687798 [1,0,0,1,0,0|2,0,0]=4 7546 B16R1.1218 CCCCCCCCOC1COCCC1=O 34a_100000210232_100012180262 [1,0,0,1,0,0|2,0,0]=4 7547 B16R1.1218 CCCCCCCCOC1COCCC1=O 7a_100000210232_100012180262 [1,0,0,1,0,0|2,0,0]=4 7548 B16R1.1218 CCCCCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210759 [1,0,0,1,0,0|2,0,0]=4 7549 B16R1.1218 CCCCCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210759 [1,0,0,1,0,0|2,0,0]=4 7550 B16R1.1218 CCCCCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210759 [1,0,0,1,0,0|2,0,0]=4 7551 B16R1.1218 CCCCCCCCSC1CCCCC1=O 62a_100000204591_100000210317 [1,0,0,1,0,0|1,0,0]=3 7552 B16R1.1218 CCCCCCCCSC1CCCCC1=O 62a_100000210759_100000204591 [1,0,0,1,0,0|1,0,0]=3 7553 B16R1.1218 CCCCCCCCSC1CCCCC1O 62a_100000038908_100000210317 [1,0,0,1,0,0|1,0,1]=4 7554 B16R1.1218 CCCCCCCCSC1CCCCC1O 62a_100000210759_100000038908 [1,0,0,1,0,0|1,0,1]=4 7555 B16R1.1218 CCCCCCCCSC1CCCNC1=O 62a_100000210759_100000687798 [1,0,0,1,0,0|2,0,0]=4 7556 B16R1.1218 CCCCCCCCSC1CCCNC1=O 62a_100000687798_100000210317 [1,0,0,1,0,0|2,0,0]=4 7557 B16R1.1218 CCCCCCCCSC1COCCC1=O 62a_100000210759_100012180262 [1,0,0,1,0,0|2,0,0]=4 7558 B16R1.1218 CCCCCCCCSC1COCCC1=O 62a_100012180262_100000210317 [1,0,0,1,0,0|2,0,0]=4 7559 B16R1.1218 CCCCCCCNCC1CCCCC1O 34a_100011216029_100000210614 [1,0,0,1,0,0|1,0,1]=4 7560 B16R1.1218 CCCCCCCOCC1CCCCC1=O 34a_100009861125_100000210614 [1,0,0,1,0,0|1,0,0]=3 7561 B16R1.1218 CCCCCCCOCC1CCCCC1=O 7a_100009861125_100000210614 [1,0,0,1,0,0|1,0,0]=3 7562 B16R1.1218 CCCCCCNCCN1CCCCC1=O 2230a_100160573077_100000210314 [1,0,0,1,0,0|2,0,0]=4 7563 B16R1.1218 CCCCCCNCCN1CCCCC1=O 34a_100160573077_100000210314 [1,0,0,1,0,0|2,0,0]=4 7564 B16R1.1218 CCCCCNCCOC1CCCCC1=O 34a_100000224656_100000754470 [1,0,0,1,0,0|2,0,0]=4 7565 B16R1.1218 CCCCCOCCOC1CCCCC1=O 34a_100011215259_100000754470 [1,0,0,1,0,0|2,0,0]=4 7566 B16R1.1218 CCCCCOCCOC1CCCCC1=O 7a_100011215259_100000204591 [1,0,0,1,0,0|2,0,0]=4 7567 B16R1.1218 CCCCOCCCNC1CCCCC1=O 34a_200000211371_100000754470 [1,0,0,1,0,0|2,0,0]=4 7568 B16R1.1218 CCCCOCCCOC1CCCCC1=O 34a_200011215613_100000754470 [1,0,0,1,0,0|2,0,0]=4 7569 B16R1.1218 CCCCOCCCOC1CCCCC1=O 7a_200011215613_100000204591 [1,0,0,1,0,0|2,0,0]=4 7570 B16R1.1218 CCCCOCCOCC1CCCCC1=O 34a_100009861125_100000743108 [1,0,0,1,0,0|2,0,0]=4 7571 B16R1.1218 CCCCOCCOCC1CCCCC1=O 7a_100009861125_100000743108 [1,0,0,1,0,0|2,0,0]=4 7572 B16R1.1218 CN1CCCCC1CCSCCCCC=O 62a_100000139335_100000211948 [1,0,0,1,0,0|2,0,0]=4 7573 B16R1.1218 CN1CCCCC1CCSCCCCC=O 62a_100000211948_100000139335 [1,0,0,1,0,0|2,0,0]=4 7574 B16R1.1218 CN1CCCCC1CSCCCCCC=O 62a_100000139337_100015185383 [1,0,0,1,0,0|2,0,0]=4 7575 B16R1.1218 CN1CCCCC1CSCCCCCC=O 62a_100015185383_100000139337 [1,0,0,1,0,0|2,0,0]=4 7576 B16R1.1218 COCCCCCCOC1CCCCC1=O 34a_100011214950_100011998445 [1,0,0,1,0,0|2,0,0]=4 7577 B16R1.1218 COCCCCCCOC1CCCCC1=O 34a_200012092642_100000754470 [1,0,0,1,0,0|2,0,0]=4 7578 B16R1.1218 COCCCCCCOC1CCCCC1=O 7a_200012092642_100000204591 [1,0,0,1,0,0|2,0,0]=4 7579 B16R1.1218 COCCCCCCSC1CCCCC1=O 62a_100000204591_100011998445 [1,0,0,1,0,0|2,0,0]=4 7580 B16R1.1218 COCCCCCCSC1CCCCC1=O 62a_100011998445_100000204591 [1,0,0,1,0,0|2,0,0]=4 7581 B16R1.1218 NCCCCCCCOC1CCCCC1=O 34a_100011996573_100000754470 [1,0,0,1,0,0|2,0,0]=4 7582 B16R1.1218 O=C1CCCCC1COCCCCCCF 34a_100009861125_100015922095 [1,0,0,1,0,0|2,0,0]=4 7583 B16R1.1218 O=C1CCCCC1COCCCCCCF 7a_100009861125_100015922095 [1,0,0,1,0,0|2,0,0]=4 7584 B16R1.1218 O=C1CCCCC1COCCCCCCO 34a_100009861125_100000766143 [1,0,0,1,0,0|2,0,0]=4 7585 B16R1.1218 O=C1CCCCC1COCCCCCCO 7a_100009861125_100000766143 [1,0,0,1,0,0|2,0,0]=4 7586 B16R1.1218 O=C1CCCCC1NCCCCCCCO 34a_100011996573_100000754470 [1,0,0,1,0,0|2,0,0]=4 7587 B16R1.1218 O=C1CCCCC1OCCCCCCCBr 34a_100000760002_100000754470 [1,0,0,1,0,0|2,0,0]=4 7588 B16R1.1218 O=C1CCCCC1OCCCCCCCBr 7a_100000760002_100000204591 [1,0,0,1,0,0|2,0,0]=4 7589 B16R1.1218 O=C1CCCCC1OCCCCCCCO 34a_100011214950_100000760002 [1,0,0,1,0,0|2,0,0]=4 7590 B16R1.1218 O=C1CCCCC1SCCCCCCCO 62a_100000204591_100000760002 [1,0,0,1,0,0|2,0,0]=4 7591 B16R1.1218 O=C1CCCCC1SCCCCCCCO 62a_100000760002_100000204591 [1,0,0,1,0,0|2,0,0]=4 7592 B16R1.1219 C=CCCCCCCCN1CCCC1CC 2230a_100000754278_100012355270 [1,0,0,1,0,0|1,0,1]=4 7593 B16R1.1219 C=CCCCCCCCN1CCCC1CC 269982a_100000754278_100012355270 [1,0,0,1,0,0|1,0,1]=4 7594 B16R1.1219 C=CCCCCCCCN1CCCC1CC 34a_100000754278_100012355270 [1,0,0,1,0,0|1,0,1]=4 7595 B16R1.1219 CCC1CCCC1NCCCCCCCO 269862a_100011996573_100000749056 [1,0,0,1,0,0|1,0,1]=4 7596 B16R1.1219 CCC1CCCC1NCCCCCCCO 270004a_100011996573_100000749056 [1,0,0,1,0,0|1,0,1]=4 7597 B16R1.1219 CCC1CCCN1CCCCCCCCO 2230a_100000754278_100000033203 [1,0,0,1,0,0|1,0,1]=4 7598 B16R1.1219 CCC1CCCN1CCCCCCCCO 269982a_100000754278_100000033203 [1,0,0,1,0,0|1,0,1]=4 7599 B16R1.1219 CCC1CCCN1CCCCCCCCO 34a_100000754278_100000033203 [1,0,0,1,0,0|1,0,1]=4 7600 B16R1.1219 CCCCCCCCCN1CCCC1CC 2230a_100000754278_100011214924 [1,0,0,1,0,0|1,0,1]=4 7601 B16R1.1219 CCCCCCCCCN1CCCC1CC 269982a_100000754278_100000210670 [1,0,0,1,0,0|1,0,1]=4 7602 B16R1.1219 CCCCCCCCCN1CCCC1CC 34a_100000754278_100011214924 [1,0,0,1,0,0|1,0,1]=4 7603 B16R1.1219 CCCCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100011214924 [1,0,0,1,0,0|1,0,1]=4 7604 B16R1.1219 CCCCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210670 [1,0,0,1,0,0|1,0,1]=4 7605 B16R1.1219 CCCCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100011214924 [1,0,0,1,0,0|1,0,1]=4 7606 B16R1.1219 CCCCCCCCNC1CCCC1CC 269862a_100000229939_100000749056 [1,0,0,1,0,0|1,0,1]=4 7607 B16R1.1219 CCCCCCCCNC1CCCC1CC 270004a_100000229939_100000749056 [1,0,0,1,0,0|1,0,1]=4 7608 B16R1.1219 CCN1CCCC1CNCCCCCC=O 2230a_100000211693_100000139337 [1,0,0,1,0,0|2,0,0]=4 7609 B16R1.1219 CCN1CCC[C@@H]1COCCCCCC=O 7a_100011739246_100000139337 [1,0,0,1,0,0|2,0,0]=4 7610 B16R1.1418 C=CCCCCCCN1CCCCC1CC 2230a_100000210034_100011215473 [1,0,0,1,0,0|1,0,1]=4 7611 B16R1.1418 C=CCCCCCCN1CCCCC1CC 269982a_100000210034_100011215473 [1,0,0,1,0,0|1,0,1]=4 7612 B16R1.1418 C=CCCCCCCN1CCCCC1CC 34a_100000210034_100011215473 [1,0,0,1,0,0|1,0,1]=4 7613 B16R1.1418 C=CCCCCCOC1CCCCC1CC 34a_100000210738_100000700193 [1,0,0,1,0,0|1,0,1]=4 7614 B16R1.1418 C=CCCCCCOC1CCCCC1CC 7a_100000210738_100000700193 [1,0,0,1,0,0|1,0,1]=4 7615 B16R1.1418 CCC1CCCCC1NCCCCCCO 269862a_100000686447_100000757040 [1,0,0,1,0,0|1,0,1]=4 7616 B16R1.1418 CCC1CCCCC1NCCCCCCO 270004a_100000686447_100000757040 [1,0,0,1,0,0|1,0,1]=4 7617 B16R1.1418 CCC1CCCCC1OCCCCCC=O 7a_100000210738_100000139337 [1,0,0,1,0,0|1,0,0]=3 7618 B16R1.1418 CCC1CCCCC1OCCCCCCF 34a_100000210738_100015922095 [1,0,0,1,0,0|2,0,0]=4 7619 B16R1.1418 CCC1CCCCC1OCCCCCCF 7a_100000210738_100015922095 [1,0,0,1,0,0|2,0,0]=4 7620 B16R1.1418 CCC1CCCCC1OCCCCCCO 34a_100000210738_100000766143 [1,0,0,1,0,0|1,0,1]=4 7621 B16R1.1418 CCC1CCCCC1OCCCCCCO 7a_100000210738_100000766143 [1,0,0,1,0,0|1,0,1]=4 7622 B16R1.1418 CCC1CCCCN1CCCCCCCO 2230a_100000210034_100000760002 [1,0,0,1,0,0|1,0,1]=4 7623 B16R1.1418 CCC1CCCCN1CCCCCCCO 269982a_100000210034_100000760002 [1,0,0,1,0,0|1,0,1]=4 7624 B16R1.1418 CCC1CCCCN1CCCCCCCO 34a_100000210034_100000760002 [1,0,0,1,0,0|1,0,1]=4 7625 B16R1.1418 CCC1CCCCN1CCNCCCC=O 2230a_100000755458_200011292268 [1,0,0,1,0,0|2,0,0]=4 7626 B16R1.1418 CCCCCCCCN1CCCCC1CC 2230a_100000210034_100000210759 [1,0,0,1,0,0|1,0,1]=4 7627 B16R1.1418 CCCCCCCCN1CCCCC1CC 269982a_100000210034_100000210759 [1,0,0,1,0,0|1,0,1]=4 7628 B16R1.1418 CCCCCCCCN1CCCCC1CC 34a_100000210034_100000210759 [1,0,0,1,0,0|1,0,1]=4 7629 B16R1.1418 CCCCCCCCN1CCCCC1CO 2230a_100000210821_100000210759 [1,0,0,1,0,0|1,0,1]=4 7630 B16R1.1418 CCCCCCCCN1CCCCC1CO 269982a_100000210821_100000210759 [1,0,0,1,0,0|1,0,1]=4 7631 B16R1.1418 CCCCCCCCN1CCCCC1CO 34a_100000210821_100000210759 [1,0,0,1,0,0|1,0,1]=4 7632 B16R1.1418 CCCCCCCNC1CCCCC1CC 269862a_100000229938_100000757040 [1,0,0,1,0,0|1,0,1]=4 7633 B16R1.1418 CCCCCCCNC1CCCCC1CC 270004a_100000229938_100000757040 [1,0,0,1,0,0|1,0,1]=4 7634 B16R1.1418 CCCCCCCNC1CCCCC1CO 270004a_100000229938_100009861125 [1,0,0,1,0,0|1,0,1]=4 7635 B16R1.1418 CCCCCCCOC1CCCCC1CC 34a_100000210738_100000210614 [1,0,0,1,0,0|1,0,1]=4 7636 B16R1.1418 CCCCCCCOC1CCCCC1CC 7a_100000210738_100000210614 [1,0,0,1,0,0|1,0,1]=4 7637 B16R1.1418 CCCCCCCOC1CCCCC1CN 34a_100011216029_100000210614 [1,0,0,1,0,0|2,0,0]=4 7638 B16R1.1418 CCN1CCCCC1CNCCCCC=O 2230a_100000754393_100000139335 [1,0,0,1,0,0|2,0,0]=4 7639 B16R1.1418 CCN1CCCCC1COCCCCC=O 7a_100000225091_100000139335 [1,0,0,1,0,0|2,0,0]=4 7640 B16R1.1418 CO[C@H]1CCCC[C@@H]1OCCCCCC=O 7a_200009815850_100000139337 [1,0,0,1,0,0|2,0,0]=4 7641 B16R1.1425 COCCCC1CCCCN1CCCC=O 2230a_100011804088_200011292268 [1,0,0,1,0,0|2,0,0]=4 7642 B16R1.1425 COCCCC1CCCCN1CCCC=O 269982a_100011804088_200011292268 [1,0,0,1,0,0|2,0,0]=4 7643 B16R1.3890 C=CCCCCCCCCOCC1CC1C 34a_100000744939_100011933949 [1,0,0,1,0,0|1,0,1]=4 7644 B16R1.3890 C=CCCCCCCCCOCC1CC1C 7a_100000744939_100011933949 [1,0,0,1,0,0|1,0,1]=4 7645 B16R1.3890 CC1CC1COCCCCCCCCCO 34a_100000744939_100009813782 [1,0,0,1,0,0|1,0,1]=4 7646 B16R1.3890 CC1CC1COCCCCCCCCCO 7a_100000744939_100009813782 [1,0,0,1,0,0|1,0,1]=4 7647 B16R1.3890 CCCCCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215454 [1,0,0,1,0,0|2,0,0]=4 7648 B16R1.3890 CCCCCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215454 [1,0,0,1,0,0|2,0,0]=4 7649 B16R1.3890 CCCCCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215454 [1,0,0,1,0,0|2,0,0]=4 7650 B16R1.3890 CCCCCCCCCCOCC1CC1C 34a_100000744939_100000210320 [1,0,0,1,0,0|1,0,1]=4 7651 B16R1.3890 CCCCCCCCCCOCC1CC1C 7a_100000744939_100000210320 [1,0,0,1,0,0|1,0,1]=4 7652 B16R1.3891 BrCCCCCCCCCOCC1CCC1 34a_100009813782_100000763275 [1,0,0,1,0,0|2,0,0]=4 7653 B16R1.3891 BrCCCCCCCCCOCC1CCC1 7a_100009813782_100000763275 [1,0,0,1,0,0|2,0,0]=4 7654 B16R1.3891 C=CCCCCCCCCCCN1CCC1 269982a_100000754969_100011093070 [1,0,0,1,0,0|1,0,1]=4 7655 B16R1.3891 C=CCCCCCCCCCNC1CCC1 2230a_100000749019_100009814027 [1,0,0,1,0,0|1,0,1]=4 7656 B16R1.3891 C=CCCCCCCCCCNC1CCC1 270004a_100000081888_100000241760 [1,0,0,1,0,0|1,0,1]=4 7657 B16R1.3891 C=CCCCCCCCCCNC1CCC1 34a_100000081888_100000749161 [1,0,0,1,0,0|1,0,1]=4 7658 B16R1.3891 C=CCCCCCCCCCNC1CCC1 34a_100000749019_100009814027 [1,0,0,1,0,0|1,0,1]=4 7659 B16R1.3891 C=CCCCCCCCCCOC1CCC1 34a_100000038209_100000749161 [1,0,0,1,0,0|1,0,1]=4 7660 B16R1.3891 C=CCCCCCCCCCOC1CCC1 34a_100000748187_100009814027 [1,0,0,1,0,0|1,0,1]=4 7661 B16R1.3891 C=CCCCCCCCCNCC1CCC1 2230a_100000738700_100011933949 [1,0,0,1,0,0|1,0,1]=4 7662 B16R1.3891 C=CCCCCCCCCNCC1CCC1 34a_100000738700_100011933949 [1,0,0,1,0,0|1,0,1]=4 7663 B16R1.3891 C=CCCCCCCCCOCC1CCC1 34a_100000760304_100011933949 [1,0,0,1,0,0|1,0,1]=4 7664 B16R1.3891 C=CCCCCCCCCOCC1CCC1 34a_100011215194_100000763275 [1,0,0,1,0,0|1,0,1]=4 7665 B16R1.3891 C=CCCCCCCCCOCC1CCC1 7a_100011215194_100000763275 [1,0,0,1,0,0|1,0,1]=4 7666 B16R1.3891 CCCCCCCCCCCCN1CCC1 269982a_100000754969_100000759014 [1,0,0,1,0,0|1,0,1]=4 7667 B16R1.3891 CCCCCCCCCCCNC1CCC1 2230a_100000749019_100011215454 [1,0,0,1,0,0|1,0,1]=4 7668 B16R1.3891 CCCCCCCCCCCNC1CCC1 270004a_200011215754_100000241760 [1,0,0,1,0,0|1,0,1]=4 7669 B16R1.3891 CCCCCCCCCCCNC1CCC1 34a_100000749019_100011215454 [1,0,0,1,0,0|1,0,1]=4 7670 B16R1.3891 CCCCCCCCCCCNC1CCC1 34a_200011215754_100000749161 [1,0,0,1,0,0|1,0,1]=4 7671 B16R1.3891 CCCCCCCCCCNCC1CCC1 2230a_100000684558_100000763275 [1,0,0,1,0,0|1,0,1]=4 7672 B16R1.3891 CCCCCCCCCCNCC1CCC1 2230a_100000738700_100000210320 [1,0,0,1,0,0|1,0,1]=4 7673 B16R1.3891 CCCCCCCCCCNCC1CCC1 269862a_100000684558_100000753134 [1,0,0,1,0,0|1,0,1]=4 7674 B16R1.3891 CCCCCCCCCCNCC1CCC1 34a_100000684558_100000763275 [1,0,0,1,0,0|1,0,1]=4 7675 B16R1.3891 CCCCCCCCCCNCC1CCC1 34a_100000738700_100000210320 [1,0,0,1,0,0|1,0,1]=4 7676 B16R1.3891 CCCCCCCCCCNCC1CCO1 2230a_100000684558_100000103362 [1,0,0,1,0,0|1,0,1]=4 7677 B16R1.3891 CCCCCCCCCCNCC1CCO1 34a_100000684558_100000103362 [1,0,0,1,0,0|1,0,1]=4 7678 B16R1.3891 CCCCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210320 [1,0,0,1,0,0|1,0,1]=4 7679 B16R1.3891 CCCCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210320 [1,0,0,1,0,0|1,0,1]=4 7680 B16R1.3891 CCCCCCCCCCOCC1CCC1 34a_100000210711_100000763275 [1,0,0,1,0,0|1,0,1]=4 7681 B16R1.3891 CCCCCCCCCCOCC1CCC1 34a_100000760304_100000210320 [1,0,0,1,0,0|1,0,1]=4 7682 B16R1.3891 CCCCCCCCCCOCC1CCC1 7a_100000210711_100000763275 [1,0,0,1,0,0|1,0,1]=4 7683 B16R1.3891 CCCCCCCCCCOCC1CCO1 34a_100000039022_100000210320 [1,0,0,1,0,0|1,0,1]=4 7684 B16R1.3891 CCCCCCCCCCOCC1CCO1 34a_100000210711_100000103362 [1,0,0,1,0,0|1,0,1]=4 7685 B16R1.3891 CCCCCCCCCCOCC1CCO1 7a_100000210711_100000103362 [1,0,0,1,0,0|1,0,1]=4 7686 B16R1.3891 CCCCCCCCCCSCC1CCO1 62a_100000103362_100000210320 [1,0,0,1,0,0|1,0,1]=4 7687 B16R1.3891 ClCCCCCCCCCCOC1CCC1 34a_200000033068_100000749161 [1,0,0,1,0,0|2,0,0]=4 7688 B16R1.3891 ClCCCCCCCCCOCC1CCC1 34a_100009868337_100000763275 [1,0,0,1,0,0|2,0,0]=4 7689 B16R1.3891 ClCCCCCCCCCOCC1CCC1 7a_100009868337_100000763275 [1,0,0,1,0,0|2,0,0]=4 7690 B16R1.3891 NCCCCCCCCCCOC1CCC1 34a_100000066964_100000749161 [1,0,0,1,0,0|2,0,0]=4 7691 B16R1.3891 NCCCCCCCCCOCC1CCC1 34a_100000078944_100000763275 [1,0,0,1,0,0|2,0,0]=4 7692 B16R1.3891 OCCCCCCCCCCCN1CCC1 269982a_100000754969_100009812471 [1,0,0,1,0,0|1,0,1]=4 7693 B16R1.3891 OCCCCCCCCCCNC1CCC1 2230a_100000749019_100009813290 [1,0,0,1,0,0|1,0,1]=4 7694 B16R1.3891 OCCCCCCCCCCNC1CCC1 270004a_100000066964_100000241760 [1,0,0,1,0,0|1,0,1]=4 7695 B16R1.3891 OCCCCCCCCCCNC1CCC1 34a_100000066964_100000749161 [1,0,0,1,0,0|1,0,1]=4 7696 B16R1.3891 OCCCCCCCCCCNC1CCC1 34a_100000749019_100009813290 [1,0,0,1,0,0|1,0,1]=4 7697 B16R1.3891 OCCCCCCCCCCOC1CCC1 34a_100000748187_100009813290 [1,0,0,1,0,0|1,0,1]=4 7698 B16R1.3891 OCCCCCCCCCCSC1CCC1 62a_100009813290_100000749161 [1,0,0,1,0,0|1,0,1]=4 7699 B16R1.3891 OCCCCCCCCCNCC1CCC1 2230a_100000078944_100000763275 [1,0,0,1,0,0|1,0,1]=4 7700 B16R1.3891 OCCCCCCCCCNCC1CCC1 2230a_100000738700_100009813782 [1,0,0,1,0,0|1,0,1]=4 7701 B16R1.3891 OCCCCCCCCCNCC1CCC1 269862a_100000078944_100000753134 [1,0,0,1,0,0|1,0,1]=4 7702 B16R1.3891 OCCCCCCCCCNCC1CCC1 34a_100000078944_100000763275 [1,0,0,1,0,0|1,0,1]=4 7703 B16R1.3891 OCCCCCCCCCNCC1CCC1 34a_100000738700_100009813782 [1,0,0,1,0,0|1,0,1]=4 7704 B16R1.3891 OCCCCCCCCCOCC1CCC1 34a_100000760304_100009813782 [1,0,0,1,0,0|1,0,1]=4 7705 B16R1.3891 OCCCCCCCCCSCC1CCC1 62a_100000763275_100009813782 [1,0,0,1,0,0|1,0,1]=4 7706 B16R1.3891 OCCCCCCCCCSCC1CCC1 62a_100009813782_100000763275 [1,0,0,1,0,0|1,0,1]=4 7707 B16R1.3905 C=CCCCCNC1CCCC1CCCC 269862a_100000703577_100000750825 [1,0,0,1,0,0|1,0,1]=4 7708 B16R1.3905 C=CCCCCNC1CCCC1CCCC 270004a_100000703577_100000750825 [1,0,0,1,0,0|1,0,1]=4 7709 B16R1.3905 C=CCNC1CCCC1CCCCCCC 270004a_100020586998_200011216720 [1,0,0,1,0,0|1,0,1]=4 7710 B16R1.3905 CCCCC1CCCC1NCCCCCO 269862a_100000762737_100000750825 [1,0,0,1,0,0|1,0,1]=4 7711 B16R1.3905 CCCCC1CCCC1NCCCCCO 270004a_100000762737_100000750825 [1,0,0,1,0,0|1,0,1]=4 7712 B16R1.3905 CCCCCCCC1CCCC1NCCC 269862a_100020643023_200011216720 [1,0,0,1,0,0|1,0,1]=4 7713 B16R1.3905 CCCCCCCC1CCCC1NCCC 270004a_100020643023_200011216720 [1,0,0,1,0,0|1,0,1]=4 7714 B16R1.3905 CCCCCCCC1CCCC1NCCF 269862a_100000724931_200011216720 [1,0,0,1,0,0|2,0,0]=4 7715 B16R1.3905 CCCCCCCC1CCCC1NCCO 269862a_100000210304_200011216720 [1,0,0,1,0,0|1,0,1]=4 7716 B16R1.3905 CCCCCCCC1CCCC1NCCO 270004a_100000210304_200011216720 [1,0,0,1,0,0|1,0,1]=4 7717 B16R1.3905 CCCCCCNC1CCCC1CCCC 269862a_100000210581_100000750825 [1,0,0,1,0,0|1,0,1]=4 7718 B16R1.3905 CCCCCCNC1CCCC1CCCC 270004a_100000210581_100000750825 [1,0,0,1,0,0|1,0,1]=4 7719 B16R1.6680 C=CCCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011933949 [1,0,0,1,0,0|1,0,1]=4 7720 B16R1.6680 C=CCCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011933949 [1,0,0,1,0,0|1,0,1]=4 7721 B16R1.6680 C=CCCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011933949 [1,0,0,1,0,0|1,0,1]=4 7722 B16R1.6680 C=CCCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011933949 [1,0,0,1,0,0|1,0,1]=4 7723 B16R1.6680 C=CCCCCCCCCN1CCC[C@H]1C 34a_100015189458_100011933949 [1,0,0,1,0,0|1,0,1]=4 7724 B16R1.6680 C=CCCCCCCCOC1CCCC1C 34a_100011216460_100012355270 [1,0,0,1,0,0|1,0,1]=4 7725 B16R1.6680 C=CCCCCCCCOC1CCCC1C 7a_100011216460_100012355270 [1,0,0,1,0,0|1,0,1]=4 7726 B16R1.6680 CC1CCCC1NCCCCCCCCO 269862a_102515433106_100000752053 [1,0,0,1,0,0|1,0,1]=4 7727 B16R1.6680 CC1CCCC1OCCCCCCCCO 34a_100011216460_100000033203 [1,0,0,1,0,0|1,0,1]=4 7728 B16R1.6680 CC1CCCC1OCCCCCCCCO 7a_100011216460_100000033203 [1,0,0,1,0,0|1,0,1]=4 7729 B16R1.6680 CCCCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210320 [1,0,0,1,0,0|1,0,1]=4 7730 B16R1.6680 CCCCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210320 [1,0,0,1,0,0|1,0,1]=4 7731 B16R1.6680 CCCCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210320 [1,0,0,1,0,0|1,0,1]=4 7732 B16R1.6680 CCCCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210320 [1,0,0,1,0,0|1,0,1]=4 7733 B16R1.6680 CCCCCCCCCCN1CCC[C@H]1C 34a_100015189458_100000210320 [1,0,0,1,0,0|1,0,1]=4 7734 B16R1.6680 CCCCCCCCCNC1CCCC1=O 2230a_100000212291_100000211823 [1,0,0,1,0,0|1,0,0]=3 7735 B16R1.6680 CCCCCCCCCNC1CCCC1=O 34a_100000212291_100000709159 [1,0,0,1,0,0|1,0,0]=3 7736 B16R1.6680 CCCCCCCCCNC1CCCC1C 269862a_100000212291_100000752053 [1,0,0,1,0,0|1,0,1]=4 7737 B16R1.6680 CCCCCCCCCNC1CCNC1=O 2230a_100016995588_100011214924 [1,0,0,1,0,0|2,0,0]=4 7738 B16R1.6680 CCCCCCCCCNC1CCNC1=O 34a_100016995588_100011214924 [1,0,0,1,0,0|2,0,0]=4 7739 B16R1.6680 CCCCCCCCCNC1CCOC1=O 2230a_100000212291_100000211211 [1,0,0,1,0,0|2,0,0]=4 7740 B16R1.6680 CCCCCCCCCNC1CCOC1=O 34a_100000212291_100000211211 [1,0,0,1,0,0|2,0,0]=4 7741 B16R1.6680 CCCCCCCCCOC1CCCC1=O 34a_100000210712_100000709159 [1,0,0,1,0,0|1,0,0]=3 7742 B16R1.6680 CCCCCCCCCOC1CCCC1=O 34a_200000719330_100011214924 [1,0,0,1,0,0|1,0,0]=3 7743 B16R1.6680 CCCCCCCCCOC1CCCC1=O 7a_100000210712_100000211823 [1,0,0,1,0,0|1,0,0]=3 7744 B16R1.6680 CCCCCCCCCOC1CCCC1C 34a_100011216460_100011214924 [1,0,0,1,0,0|1,0,1]=4 7745 B16R1.6680 CCCCCCCCCOC1CCCC1C 7a_100011216460_100000210328 [1,0,0,1,0,0|1,0,1]=4 7746 B16R1.6680 CCCCCCCCCOC1CCOC1=O 34a_100000210712_100000211211 [1,0,0,1,0,0|2,0,0]=4 7747 B16R1.6680 CCCCCCCCCOC1CCOC1=O 7a_100000210712_100000211211 [1,0,0,1,0,0|2,0,0]=4 7748 B16R1.6680 CCCCCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011214924 [1,0,0,1,0,0|2,0,0]=4 7749 B16R1.6680 CCCCCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011214924 [1,0,0,1,0,0|2,0,0]=4 7750 B16R1.6680 CCCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100011214924 [1,0,0,1,0,0|2,0,0]=4 7751 B16R1.6680 CCCCCCCCCSC1CCCC1=O 62a_100000211823_100000210670 [1,0,0,1,0,0|1,0,0]=3 7752 B16R1.6680 CCCCCCCCCSC1CCOC1=O 62a_100000211211_100000210670 [1,0,0,1,0,0|2,0,0]=4 7753 B16R1.6680 CCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210670 [1,0,0,1,0,0|1,0,1]=4 7754 B16R1.6680 CCCCCCCCOCC1CCNC1=O 34a_100000133458_100000210759 [1,0,0,1,0,0|2,0,0]=4 7755 B16R1.6680 CCCCCCCCSCN1CCCC1=O 62a_100000026320_100000210317 [1,0,0,1,0,0|2,0,0]=4 7756 B16R1.6680 CCCCCCCCSCN1CCCC1=O 62a_100000210759_100000026320 [1,0,0,1,0,0|2,0,0]=4 7757 B16R1.6680 CCCCCCCNCCN1CCCC1=O 2230a_100000229938_100000739059 [1,0,0,1,0,0|2,0,0]=4 7758 B16R1.6680 CCCCCCCNCCN1CCCC1=O 2230a_100011200922_100000210681 [1,0,0,1,0,0|2,0,0]=4 7759 B16R1.6680 CCCCCCCOCCN1CCCC1=O 34a_100000210272_100000739059 [1,0,0,1,0,0|2,0,0]=4 7760 B16R1.6680 CCCCCCCOCCN1CCCC1=O 34a_100000211209_100000210614 [1,0,0,1,0,0|2,0,0]=4 7761 B16R1.6680 CCCCCCCOCCN1CCCC1=O 7a_100000210272_100000739059 [1,0,0,1,0,0|2,0,0]=4 7762 B16R1.6680 CCCCCCCOCCN1CCCC1=O 7a_100000211209_100000210614 [1,0,0,1,0,0|2,0,0]=4 7763 B16R1.6680 CCCCCCCSCCN1CCCC1=O 62a_100000210614_100000739059 [1,0,0,1,0,0|2,0,0]=4 7764 B16R1.6680 CCCCCCCSCCN1CCCC1=O 62a_100000739059_100000210316 [1,0,0,1,0,0|2,0,0]=4 7765 B16R1.6680 CCCCCCNCCCN1CCCC1=O 2230a_100000210347_100000210314 [1,0,0,1,0,0|2,0,0]=4 7766 B16R1.6680 CCCCCCNCCCN1CCCC1=O 34a_100000210347_100000210314 [1,0,0,1,0,0|2,0,0]=4 7767 B16R1.6680 CCCCCCOCCCN1CCCC1=O 34a_100011216539_100000210314 [1,0,0,1,0,0|2,0,0]=4 7768 B16R1.6680 CCCCCCOCCCN1CCCC1=O 7a_100011216539_100000210314 [1,0,0,1,0,0|2,0,0]=4 7769 B16R1.6680 CCCCCCOCCOC1CCCC1=O 34a_100000691444_100000709159 [1,0,0,1,0,0|2,0,0]=4 7770 B16R1.6680 CCCCCCOCCOC1CCCC1=O 7a_100000691444_100000211823 [1,0,0,1,0,0|2,0,0]=4 7771 B16R1.6680 CCCCNCCCCOC1CCCC1=O 34a_200011216965_100000709159 [1,0,0,1,0,0|2,0,0]=4 7772 B16R1.6680 CCCCOCCCCOC1CCCC1=O 34a_200000760531_100000709159 [1,0,0,1,0,0|2,0,0]=4 7773 B16R1.6680 CCCCOCCCCOC1CCCC1=O 7a_200000760531_100000211823 [1,0,0,1,0,0|2,0,0]=4 7774 B16R1.6680 CN1CCCC1CCOCCCCCC=O 7a_100011215177_100000139337 [1,0,0,1,0,0|2,0,0]=4 7775 B16R1.6680 CN1CCCC1CCSCCCCCC=O 62a_100000005710_100000139337 [1,0,0,1,0,0|2,0,0]=4 7776 B16R1.6680 CN1CCCC1CCSCCCCCC=O 62a_100000139337_100000005710 [1,0,0,1,0,0|2,0,0]=4 7777 B16R1.6680 C[C@@H]1CCCN1CCCCCCCCCO 2230a_100015189458_100009813782 [1,0,0,1,0,0|1,0,1]=4 7778 B16R1.6680 C[C@@H]1CCCN1CCCCCCCCCO 269982a_100015189458_100009813782 [1,0,0,1,0,0|1,0,1]=4 7779 B16R1.6680 C[C@@H]1CCCN1CCCCCCCCCO 34a_100015189458_100009813782 [1,0,0,1,0,0|1,0,1]=4 7780 B16R1.6680 C[C@H]1CCCN1CCCCCCCCCO 2230a_100020605311_100009813782 [1,0,0,1,0,0|1,0,1]=4 7781 B16R1.6680 C[C@H]1CCCN1CCCCCCCCCO 269982a_100020605311_100009813782 [1,0,0,1,0,0|1,0,1]=4 7782 B16R1.6680 NCCCCCCCCOC1CCCC1=O 34a_102515433106_100000709159 [1,0,0,1,0,0|2,0,0]=4 7783 B16R1.6680 O=C1CCCC1NCCCCCCCCO 2230a_102515433106_100000211823 [1,0,0,1,0,0|2,0,0]=4 7784 B16R1.6680 O=C1CCCC1NCCCCCCCCO 34a_102515433106_100000709159 [1,0,0,1,0,0|2,0,0]=4 7785 B16R1.6680 O=C1CCCC1OCCCCCCCCBr 34a_100009813846_100000709159 [1,0,0,1,0,0|2,0,0]=4 7786 B16R1.6680 O=C1CCCC1OCCCCCCCCBr 7a_100009813846_100000211823 [1,0,0,1,0,0|2,0,0]=4 7787 B16R1.6680 O=C1CCCC1OCCCCCCCCCl 34a_100000033203_100000709159 [1,0,0,1,0,0|2,0,0]=4 7788 B16R1.6680 O=C1CCCC1OCCCCCCCCCl 7a_100000033203_100000211823 [1,0,0,1,0,0|2,0,0]=4 7789 B16R1.6680 O=C1CCCC1OCCCCCCCCO 34a_200000719330_100000033203 [1,0,0,1,0,0|2,0,0]=4 7790 B16R1.6680 O=C1CCCC1SCCCCCCCCO 62a_100000033203_100000211823 [1,0,0,1,0,0|2,0,0]=4 7791 B16R1.6680 O=C1CCCC1SCCCCCCCCO 62a_100000211823_100000033203 [1,0,0,1,0,0|2,0,0]=4 7792 B16R1.6688 C=CCCCCCCCCCN1CCC1C 269982a_100000755817_100009814027 [1,0,0,1,0,0|1,0,1]=4 7793 B16R1.6688 C=CCCCCCCCCCN1CCC1C 34a_100000755817_100009814027 [1,0,0,1,0,0|1,0,1]=4 7794 B16R1.6688 CC1CCN1CCCCCCCCCCO 269982a_100000755817_100009813290 [1,0,0,1,0,0|1,0,1]=4 7795 B16R1.6688 CC1CCN1CCCCCCCCCCO 34a_100000755817_100009813290 [1,0,0,1,0,0|1,0,1]=4 7796 B16R1.6688 CCCCCCCCCCCN1CCC1C 269982a_100000755817_100011215454 [1,0,0,1,0,0|1,0,1]=4 7797 B16R1.6688 CCCCCCCCCCCN1CCC1C 34a_100000755817_100011215454 [1,0,0,1,0,0|1,0,1]=4 7798 B16R1.6688 CCCCCCCCCCNC1CCC1=O 34a_100000684558_100009892977 [1,0,0,1,0,0|1,0,0]=3 7799 B16R1.6688 CCCCCCCCCCOC1CCC1=O 34a_100000210711_100009892977 [1,0,0,1,0,0|1,0,0]=3 7800 B16R1.6688 CCCCCCCCCCOC1CCC1=O 7a_100000210711_100009892977 [1,0,0,1,0,0|1,0,0]=3 7801 B16R1.6688 CCCCCCCCCCSC1CCC1=O 62a_100009892977_100000210320 [1,0,0,1,0,0|1,0,0]=3 7802 B16R1.6688 CCCCCCCCNCCC1CCC1=O 2230a_100000229939_200016118888 [1,0,0,1,0,0|1,0,0]=3 7803 B16R1.6688 CCCCCCCCOCCC1CCC1=O 7a_100000210232_200016118888 [1,0,0,1,0,0|1,0,0]=3 7804 B16R1.6688 CCCCCCCCSCCC1CCC1=O 62a_100000210759_200016118888 [1,0,0,1,0,0|1,0,0]=3 7805 B16R1.6688 CCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210317 [1,0,0,1,0,0|1,0,0]=3 7806 B16R1.6688 CCCCCOCCOCCC1CCC1=O 7a_100011215259_200016118888 [1,0,0,1,0,0|2,0,0]=4 7807 B16R1.6688 CCCCOCCCNCCC1CCC1=O 2230a_200000211371_200016118888 [1,0,0,1,0,0|2,0,0]=4 7808 B16R1.6688 CCCCOCCCOCCC1CCC1=O 7a_200011215613_200016118888 [1,0,0,1,0,0|2,0,0]=4 7809 B16R1.6688 COCCCCCCOCCC1CCC1=O 7a_200012092642_200016118888 [1,0,0,1,0,0|2,0,0]=4 7810 B16R1.6688 COCCCCCCSCCC1CCC1=O 62a_100011998445_200016118888 [1,0,0,1,0,0|2,0,0]=4 7811 B16R1.6688 COCCCCCCSCCC1CCC1=O 62a_200016118888_100011998445 [1,0,0,1,0,0|2,0,0]=4 7812 B16R1.6688 NCCCCCCCCCOC1CCC1=O 34a_100000078944_100009892977 [1,0,0,1,0,0|2,0,0]=4 7813 B16R1.6688 O=C1CCC1CCNCCCCCCCO 2230a_100011996573_200016118888 [1,0,0,1,0,0|2,0,0]=4 7814 B16R1.6688 O=C1CCC1CCOCCCCCCCBr 7a_100000760002_200016118888 [1,0,0,1,0,0|2,0,0]=4 7815 B16R1.6688 O=C1CCC1CCSCCCCCCCO 62a_100000760002_200016118888 [1,0,0,1,0,0|2,0,0]=4 7816 B16R1.6688 O=C1CCC1CCSCCCCCCCO 62a_200016118888_100000760002 [1,0,0,1,0,0|2,0,0]=4 7817 B16R1.6688 O=C1CCC1NCCCCCCCCCO 34a_100000078944_100009892977 [1,0,0,1,0,0|2,0,0]=4 7818 B16R1.6688 O=C1CCC1OCCCCCCCCCBr 34a_100009813782_100009892977 [1,0,0,1,0,0|2,0,0]=4 7819 B16R1.6688 O=C1CCC1OCCCCCCCCCBr 7a_100009813782_100009892977 [1,0,0,1,0,0|2,0,0]=4 7820 B16R1.6688 O=C1CCC1OCCCCCCCCCCl 34a_100009868337_100009892977 [1,0,0,1,0,0|2,0,0]=4 7821 B16R1.6688 O=C1CCC1OCCCCCCCCCCl 7a_100009868337_100009892977 [1,0,0,1,0,0|2,0,0]=4 7822 B16R1.6688 O=C1CCC1SCCCCCCCCCO 62a_100009813782_100009892977 [1,0,0,1,0,0|2,0,0]=4 7823 B16R1.6688 O=C1CCC1SCCCCCCCCCO 62a_100009892977_100009813782 [1,0,0,1,0,0|2,0,0]=4 7824 B16R1.7352 C=CCNC1CCCCCCCCCCC1 2230a_100011194316_100000210623 [1,0,0,1,0,0|1,0,1]=4 7825 B16R1.7352 C=CCNC1CCCCCCCCCCC1 270004a_100020586998_100000210130 [1,0,0,1,0,0|1,0,1]=4 7826 B16R1.7352 C=CCNC1CCCCCCCCCCC1 34a_100011194316_100015514636 [1,0,0,1,0,0|1,0,1]=4 7827 B16R1.7352 C=CCOC1CCCCCCCCCCC1 34a_100000211378_100015514636 [1,0,0,1,0,0|1,0,1]=4 7828 B16R1.7352 C=CCOC1CCCCCCCCCCC1 7a_100000211378_100015514636 [1,0,0,1,0,0|1,0,1]=4 7829 B16R1.7352 CCCNC1CCCCCCCCCCC1 2230a_100011194316_100000210303 [1,0,0,1,0,0|1,0,1]=4 7830 B16R1.7352 CCCNC1CCCCCCCCCCC1 270004a_100020643023_100000210130 [1,0,0,1,0,0|1,0,1]=4 7831 B16R1.7352 CCCNC1CCCCCCCCCCC1 34a_100011194316_100000210303 [1,0,0,1,0,0|1,0,1]=4 7832 B16R1.7352 FCCNC1CCCCCCCCCCC1 2230a_100011194316_100011217306 [1,0,0,1,0,0|2,0,0]=4 7833 B16R1.7352 FCCNC1CCCCCCCCCCC1 34a_100011194316_100011217306 [1,0,0,1,0,0|2,0,0]=4 7834 B16R1.7352 FCCOC1CCCCCCCCCCC1 34a_100000211378_100011217306 [1,0,0,1,0,0|2,0,0]=4 7835 B16R1.7352 FCCOC1CCCCCCCCCCC1 7a_100000211378_100011217306 [1,0,0,1,0,0|2,0,0]=4 7836 B16R1.7352 O=CCNC1CCCCCCCCCCC1 2230a_100011194316_200015260668 [1,0,0,1,0,0|1,0,0]=3 7837 B16R1.7352 O=CCNC1CCCCCCCCCCC1 34a_100011194316_200009817547 [1,0,0,1,0,0|1,0,0]=3 7838 B16R1.7352 O=CCOC1CCCCCCCCCCC1 34a_100000211378_200009817547 [1,0,0,1,0,0|1,0,0]=3 7839 B16R1.7352 O=CCOC1CCCCCCCCCCC1 7a_100000211378_200015260668 [1,0,0,1,0,0|1,0,0]=3 7840 B16R1.7352 OCCNC1CCCCCCCCCCC1 2230a_100011194316_100000211926 [1,0,0,1,0,0|1,0,1]=4 7841 B16R1.7352 OCCNC1CCCCCCCCCCC1 270004a_100000210304_100000210130 [1,0,0,1,0,0|1,0,1]=4 7842 B16R1.7352 OCCNC1CCCCCCCCCCC1 34a_100011194316_100000211926 [1,0,0,1,0,0|1,0,1]=4 7843 B16R1.7352 OCCOC1CCCCCCCCCCC1 34a_100000211378_100000211926 [1,0,0,1,0,0|1,0,1]=4 7844 B16R1.7352 OCCOC1CCCCCCCCCCC1 7a_100000211378_100000211926 [1,0,0,1,0,0|1,0,1]=4 7845 B16R1.8376 CCCC1CCCC1NCCCCCCO 269862a_100000686447_100000723119 [1,0,0,1,0,0|1,0,1]=4 7846 B16R1.8376 CCCC1CCCC1NCCCCCCO 270004a_100000686447_100000723119 [1,0,0,1,0,0|1,0,1]=4 7847 B16R1.8376 CCCCCCCNC1CCCC1CCC 269862a_100000229938_100000723119 [1,0,0,1,0,0|1,0,1]=4 7848 B16R1.8376 CCCCCCCNC1CCCC1CCC 270004a_100000229938_100000723119 [1,0,0,1,0,0|1,0,1]=4 7849 B16R1.8376 CCCN1CCCC1COCCCCC=O 7a_200000694710_100000139335 [1,0,0,1,0,0|2,0,0]=4 7850 B16R1.8379 C=CCCCCCCN1CCCCCCC1 2230a_100000211400_100011215473 [1,0,0,1,0,0|1,0,1]=4 7851 B16R1.8379 C=CCCCCCCN1CCCCCCC1 269982a_100000211400_100011215473 [1,0,0,1,0,0|1,0,1]=4 7852 B16R1.8379 C=CCCCCCCN1CCCCCCC1 34a_100000211400_100011215473 [1,0,0,1,0,0|1,0,1]=4 7853 B16R1.8379 C=CCCCCCNC1CCCCCCC1 2230a_100000211152_100000700193 [1,0,0,1,0,0|1,0,1]=4 7854 B16R1.8379 C=CCCCCCNC1CCCCCCC1 34a_100000211152_100000700193 [1,0,0,1,0,0|1,0,1]=4 7855 B16R1.8379 C=CCCCCCOC1CCCCCCC1 34a_100000210054_100000700193 [1,0,0,1,0,0|1,0,1]=4 7856 B16R1.8379 C=CCCCCCOC1CCCCCCC1 7a_100000210054_100000700193 [1,0,0,1,0,0|1,0,1]=4 7857 B16R1.8379 C=CCCCCOCC1CCCCCCC1 34a_100011216312_100011215482 [1,0,0,1,0,0|1,0,1]=4 7858 B16R1.8379 C=CCCCCOCC1CCCCCCC1 7a_100011216312_100011215482 [1,0,0,1,0,0|1,0,1]=4 7859 B16R1.8379 C=CCCCNCCC1CCCCCCC1 2230a_100011532352_100011713584 [1,0,0,1,0,0|1,0,1]=4 7860 B16R1.8379 C=CCCCNCCC1CCCCCCC1 34a_100011532352_100000757094 [1,0,0,1,0,0|1,0,1]=4 7861 B16R1.8379 CCCCCCCCN1CCCCCCC1 2230a_100000211400_100000210759 [1,0,0,1,0,0|1,0,1]=4 7862 B16R1.8379 CCCCCCCCN1CCCCCCC1 269982a_100000211400_100000210759 [1,0,0,1,0,0|1,0,1]=4 7863 B16R1.8379 CCCCCCCCN1CCCCCCC1 34a_100000211400_100000210759 [1,0,0,1,0,0|1,0,1]=4 7864 B16R1.8379 CCCCCCCNC1CCCCCCC1 2230a_100000211152_100000210681 [1,0,0,1,0,0|1,0,1]=4 7865 B16R1.8379 CCCCCCCNC1CCCCCCC1 270004a_100000229938_100000210524 [1,0,0,1,0,0|1,0,1]=4 7866 B16R1.8379 CCCCCCCNC1CCCCCCC1 34a_100000211152_100000210614 [1,0,0,1,0,0|1,0,1]=4 7867 B16R1.8379 CCCCCCCOC1C=CCCCCC1 34a_100000688657_100000210614 [1,0,0,1,0,0|1,0,1]=4 7868 B16R1.8379 CCCCCCOCC1CCCCCCC1 34a_100011216312_100000210314 [1,0,0,1,0,0|1,0,1]=4 7869 B16R1.8379 CCCCCCOCC1CCCCCCC1 7a_100011216312_100000210314 [1,0,0,1,0,0|1,0,1]=4 7870 B16R1.8379 CCCCCNCCC1CCCCCCC1 2230a_100011532352_100000210326 [1,0,0,1,0,0|1,0,1]=4 7871 B16R1.8379 CCCCCNCCC1CCCCCCC1 34a_100011532352_100000718602 [1,0,0,1,0,0|1,0,1]=4 7872 B16R1.8379 FCCCCCCNC1CCCCCCC1 2230a_100000211152_100015922095 [1,0,0,1,0,0|2,0,0]=4 7873 B16R1.8379 FCCCCCCNC1CCCCCCC1 34a_100000211152_100015922095 [1,0,0,1,0,0|2,0,0]=4 7874 B16R1.8379 FCCCCCCOC1CCCCCCC1 34a_100000210054_100015922095 [1,0,0,1,0,0|2,0,0]=4 7875 B16R1.8379 FCCCCCCOC1CCCCCCC1 7a_100000210054_100015922095 [1,0,0,1,0,0|2,0,0]=4 7876 B16R1.8379 FCCCCCOCC1CCCCCCC1 34a_100011216312_100000729378 [1,0,0,1,0,0|2,0,0]=4 7877 B16R1.8379 FCCCCCOCC1CCCCCCC1 7a_100011216312_100000729378 [1,0,0,1,0,0|2,0,0]=4 7878 B16R1.8379 FCCCCNCCC1CCCCCCC1 2230a_100011532352_100000729493 [1,0,0,1,0,0|2,0,0]=4 7879 B16R1.8379 FCCCCNCCC1CCCCCCC1 34a_100011532352_100000729493 [1,0,0,1,0,0|2,0,0]=4 7880 B16R1.8379 O=CCCCCCNC1CCCCCCC1 2230a_100000211152_100000139337 [1,0,0,1,0,0|1,0,0]=3 7881 B16R1.8379 O=CCCCCCOC1CCCCCCC1 7a_100000210054_100000139337 [1,0,0,1,0,0|1,0,0]=3 7882 B16R1.8379 O=CCCCCOCC1CCCCCCC1 7a_100011216312_100000139335 [1,0,0,1,0,0|1,0,0]=3 7883 B16R1.8379 O=CCCCNCCC1CCCCCCC1 2230a_100011532352_200011292268 [1,0,0,1,0,0|1,0,0]=3 7884 B16R1.8379 OCCCCCCCN1CCCCCCC1 2230a_100000211400_100000760002 [1,0,0,1,0,0|1,0,1]=4 7885 B16R1.8379 OCCCCCCCN1CCCCCCC1 269982a_100000211400_100000760002 [1,0,0,1,0,0|1,0,1]=4 7886 B16R1.8379 OCCCCCCCN1CCCCCCC1 34a_100000211400_100000760002 [1,0,0,1,0,0|1,0,1]=4 7887 B16R1.8379 OCCCCCCNC1CCCCCCC1 2230a_100000211152_100000766143 [1,0,0,1,0,0|1,0,1]=4 7888 B16R1.8379 OCCCCCCNC1CCCCCCC1 270004a_100000686447_100000210524 [1,0,0,1,0,0|1,0,1]=4 7889 B16R1.8379 OCCCCCCNC1CCCCCCC1 34a_100000211152_100000766143 [1,0,0,1,0,0|1,0,1]=4 7890 B16R1.8379 OCCCCCCOC1CCCCCCC1 34a_100000210054_100000766143 [1,0,0,1,0,0|1,0,1]=4 7891 B16R1.8379 OCCCCCCOC1CCCCCCC1 7a_100000210054_100000766143 [1,0,0,1,0,0|1,0,1]=4 7892 B16R1.8379 OCCCCCOCC1CCCCCCC1 34a_100011216312_100000746330 [1,0,0,1,0,0|1,0,1]=4 7893 B16R1.8379 OCCCCCOCC1CCCCCCC1 7a_100011216312_100000746330 [1,0,0,1,0,0|1,0,1]=4 7894 B16R1.8379 OCCCCNCCC1CCCCCCC1 2230a_100011532352_100000210776 [1,0,0,1,0,0|1,0,1]=4 7895 B16R1.8379 OCCCCNCCC1CCCCCCC1 34a_100011532352_100011216708 [1,0,0,1,0,0|1,0,1]=4 7896 B16R1.17455 BrCCCCCCCCCCOCC1CC1 34a_100009813290_100000742324 [1,0,0,1,0,0|2,0,0]=4 7897 B16R1.17455 BrCCCCCCCCCCOCC1CC1 7a_100009813290_100000742324 [1,0,0,1,0,0|2,0,0]=4 7898 B16R1.17455 BrCCCCCCCCCOCCC1CC1 34a_100009813782_100000694398 [1,0,0,1,0,0|2,0,0]=4 7899 B16R1.17455 BrCCCCCCCCCOCCC1CC1 7a_100009813782_100000764125 [1,0,0,1,0,0|2,0,0]=4 7900 B16R1.17455 C=CCCCCCCCCCCNC1CC1 34a_100000212008_100011093070 [1,0,0,1,0,0|1,0,1]=4 7901 B16R1.17455 C=CCCCCCCCCCNCC1CC1 2230a_100000081888_100000742324 [1,0,0,1,0,0|1,0,1]=4 7902 B16R1.17455 C=CCCCCCCCCCNCC1CC1 2230a_100000735609_100009814027 [1,0,0,1,0,0|1,0,1]=4 7903 B16R1.17455 C=CCCCCCCCCCNCC1CC1 269862a_100000081888_100000741477 [1,0,0,1,0,0|1,0,1]=4 7904 B16R1.17455 C=CCCCCCCCCCNCC1CC1 34a_100000081888_100000742324 [1,0,0,1,0,0|1,0,1]=4 7905 B16R1.17455 C=CCCCCCCCCCNCC1CC1 34a_100000735609_100009814027 [1,0,0,1,0,0|1,0,1]=4 7906 B16R1.17455 C=CCCCCCCCCCOCC1CC1 34a_100000038209_100000742324 [1,0,0,1,0,0|1,0,1]=4 7907 B16R1.17455 C=CCCCCCCCCCOCC1CC1 34a_100000211283_100009814027 [1,0,0,1,0,0|1,0,1]=4 7908 B16R1.17455 C=CCCCCCCCCCOCC1CC1 7a_100000038209_100000742324 [1,0,0,1,0,0|1,0,1]=4 7909 B16R1.17455 C=CCCCCCCCCNCCC1CC1 34a_100000764129_100011933949 [1,0,0,1,0,0|1,0,1]=4 7910 B16R1.17455 C=CCCCCCCCCOCCC1CC1 34a_100000754188_100011933949 [1,0,0,1,0,0|1,0,1]=4 7911 B16R1.17455 C=CCCCCCCCCOCCC1CC1 34a_100011215194_100000694398 [1,0,0,1,0,0|1,0,1]=4 7912 B16R1.17455 C=CCCCCCCCCOCCC1CC1 7a_100000754188_100011933949 [1,0,0,1,0,0|1,0,1]=4 7913 B16R1.17455 C=CCCCCCCCCOCCC1CC1 7a_100011215194_100000764125 [1,0,0,1,0,0|1,0,1]=4 7914 B16R1.17455 CCCCCCCCCCCCNC1CC1 34a_100000210451_100000211595 [1,0,0,1,0,0|1,0,1]=4 7915 B16R1.17455 CCCCCCCCCCCCNC1CC1 34a_100000212008_100000759014 [1,0,0,1,0,0|1,0,1]=4 7916 B16R1.17455 CCCCCCCCCCCNCC1CC1 2230a_100000735609_100011215454 [1,0,0,1,0,0|1,0,1]=4 7917 B16R1.17455 CCCCCCCCCCCNCC1CC1 2230a_200011215754_100000742324 [1,0,0,1,0,0|1,0,1]=4 7918 B16R1.17455 CCCCCCCCCCCNCC1CC1 269862a_200011215754_100000741477 [1,0,0,1,0,0|1,0,1]=4 7919 B16R1.17455 CCCCCCCCCCCNCC1CC1 34a_100000735609_100011215454 [1,0,0,1,0,0|1,0,1]=4 7920 B16R1.17455 CCCCCCCCCCCNCC1CC1 34a_200011215754_100000742324 [1,0,0,1,0,0|1,0,1]=4 7921 B16R1.17455 CCCCCCCCCCCNCC1CO1 2230a_200011215754_100011216344 [1,0,0,1,0,0|1,0,1]=4 7922 B16R1.17455 CCCCCCCCCCCNCC1CO1 34a_200011215754_102125554688 [1,0,0,1,0,0|1,0,1]=4 7923 B16R1.17455 CCCCCCCCCCCOCC1CC1 34a_100000210809_100000742324 [1,0,0,1,0,0|1,0,1]=4 7924 B16R1.17455 CCCCCCCCCCCOCC1CC1 34a_100000211283_100011215454 [1,0,0,1,0,0|1,0,1]=4 7925 B16R1.17455 CCCCCCCCCCCOCC1CC1 7a_100000210809_100000742324 [1,0,0,1,0,0|1,0,1]=4 7926 B16R1.17455 CCCCCCCCCCCOCC1CO1 34a_100000210809_102125554688 [1,0,0,1,0,0|1,0,1]=4 7927 B16R1.17455 CCCCCCCCCCCOCC1CO1 7a_100000210809_102125554688 [1,0,0,1,0,0|1,0,1]=4 7928 B16R1.17455 CCCCCCCCCCCOCC1CS1 7a_100000210809_100000031435 [1,0,0,1,0,0|1,1,0]=4 7929 B16R1.17455 CCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100011215454 [1,0,0,1,0,0|1,0,1]=4 7930 B16R1.17455 CCCCCCCCCCCOC[C@@H]1CO1 7a_100000210809_100000745022 [1,0,0,1,0,0|1,0,1]=4 7931 B16R1.17455 CCCCCCCCCCCSCC1CO1 62a_102125554688_100011215454 [1,0,0,1,0,0|1,0,1]=4 7932 B16R1.17455 CCCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100011215454 [1,0,0,1,0,0|1,0,1]=4 7933 B16R1.17455 CCCCCCCCCCNCCC1CC1 2230a_100000684558_100000694398 [1,0,0,1,0,0|1,0,1]=4 7934 B16R1.17455 CCCCCCCCCCNCCC1CC1 34a_100000684558_100000694398 [1,0,0,1,0,0|1,0,1]=4 7935 B16R1.17455 CCCCCCCCCCNCCC1CC1 34a_100000764129_100000210320 [1,0,0,1,0,0|1,0,1]=4 7936 B16R1.17455 CCCCCCCCCCNCCC1CO1 2230a_100000684558_100000732470 [1,0,0,1,0,0|1,0,1]=4 7937 B16R1.17455 CCCCCCCCCCNCCC1CO1 34a_100000684558_100000732470 [1,0,0,1,0,0|1,0,1]=4 7938 B16R1.17455 CCCCCCCCCCOCCC1CC1 34a_100000210711_100000694398 [1,0,0,1,0,0|1,0,1]=4 7939 B16R1.17455 CCCCCCCCCCOCCC1CC1 34a_100000754188_100000210320 [1,0,0,1,0,0|1,0,1]=4 7940 B16R1.17455 CCCCCCCCCCOCCC1CC1 7a_100000210711_100000764125 [1,0,0,1,0,0|1,0,1]=4 7941 B16R1.17455 CCCCCCCCCCOCCC1CC1 7a_100000754188_100000210320 [1,0,0,1,0,0|1,0,1]=4 7942 B16R1.17455 CCCCCCCCCCOCCC1CO1 34a_100000210711_100000732470 [1,0,0,1,0,0|1,0,1]=4 7943 B16R1.17455 CCCCCCCCCCOCCC1CO1 7a_100000210711_100000732470 [1,0,0,1,0,0|1,0,1]=4 7944 B16R1.17455 CCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210320 [1,0,0,1,0,0|1,0,1]=4 7945 B16R1.17455 CCCCCCCCCCSCCC1CO1 62a_100000732470_100000210320 [1,0,0,1,0,0|1,0,1]=4 7946 B16R1.17455 CCCCCCCCCNCCCC1CO1 2230a_100000212291_100000733510 [1,0,0,1,0,0|1,0,1]=4 7947 B16R1.17455 CCCCCCCCCNCCCC1CO1 34a_100000212291_100000733510 [1,0,0,1,0,0|1,0,1]=4 7948 B16R1.17455 CCCCCCCCCOCCCC1CO1 34a_100000210712_100000733510 [1,0,0,1,0,0|1,0,1]=4 7949 B16R1.17455 CCCCCCCCCOCCCC1CO1 7a_100000210712_100000733510 [1,0,0,1,0,0|1,0,1]=4 7950 B16R1.17455 CCCCCCCCCSCCCC1CO1 62a_100000733510_100000210670 [1,0,0,1,0,0|1,0,1]=4 7951 B16R1.17455 ClCCCCCCCCCCOCC1CC1 34a_200000033068_100000742324 [1,0,0,1,0,0|2,0,0]=4 7952 B16R1.17455 ClCCCCCCCCCCOCC1CC1 7a_200000033068_100000742324 [1,0,0,1,0,0|2,0,0]=4 7953 B16R1.17455 ClCCCCCCCCCOCCC1CC1 34a_100009868337_100000694398 [1,0,0,1,0,0|2,0,0]=4 7954 B16R1.17455 ClCCCCCCCCCOCCC1CC1 7a_100009868337_100000764125 [1,0,0,1,0,0|2,0,0]=4 7955 B16R1.17455 NCCCCCCCCCCOCC1CC1 34a_100000066964_100000742324 [1,0,0,1,0,0|2,0,0]=4 7956 B16R1.17455 NCCCCCCCCCOCCC1CC1 34a_100000078944_100000694398 [1,0,0,1,0,0|2,0,0]=4 7957 B16R1.17455 OCCCCCCCCCCCNC1CC1 34a_100000212008_100009812471 [1,0,0,1,0,0|1,0,1]=4 7958 B16R1.17455 OCCCCCCCCCCCSC1CC1 62a_100009812471_100000211595 [1,0,0,1,0,0|1,0,1]=4 7959 B16R1.17455 OCCCCCCCCCCNCC1CC1 2230a_100000066964_100000742324 [1,0,0,1,0,0|1,0,1]=4 7960 B16R1.17455 OCCCCCCCCCCNCC1CC1 2230a_100000735609_100009813290 [1,0,0,1,0,0|1,0,1]=4 7961 B16R1.17455 OCCCCCCCCCCNCC1CC1 269862a_100000066964_100000741477 [1,0,0,1,0,0|1,0,1]=4 7962 B16R1.17455 OCCCCCCCCCCNCC1CC1 34a_100000066964_100000742324 [1,0,0,1,0,0|1,0,1]=4 7963 B16R1.17455 OCCCCCCCCCCNCC1CC1 34a_100000735609_100009813290 [1,0,0,1,0,0|1,0,1]=4 7964 B16R1.17455 OCCCCCCCCCCOCC1CC1 34a_100000211283_100009813290 [1,0,0,1,0,0|1,0,1]=4 7965 B16R1.17455 OCCCCCCCCCCSCC1CC1 62a_100000756562_200000033068 [1,0,0,1,0,0|1,0,1]=4 7966 B16R1.17455 OCCCCCCCCCCSCC1CC1 62a_100009813290_100000742324 [1,0,0,1,0,0|1,0,1]=4 7967 B16R1.17455 OCCCCCCCCCNCCC1CC1 2230a_100000078944_100000694398 [1,0,0,1,0,0|1,0,1]=4 7968 B16R1.17455 OCCCCCCCCCNCCC1CC1 34a_100000078944_100000694398 [1,0,0,1,0,0|1,0,1]=4 7969 B16R1.17455 OCCCCCCCCCNCCC1CC1 34a_100000764129_100009813782 [1,0,0,1,0,0|1,0,1]=4 7970 B16R1.17455 OCCCCCCCCCOCCC1CC1 34a_100000754188_100009813782 [1,0,0,1,0,0|1,0,1]=4 7971 B16R1.17455 OCCCCCCCCCOCCC1CC1 7a_100000754188_100009813782 [1,0,0,1,0,0|1,0,1]=4 7972 B16R1.17455 OCCCCCCCCCSCCC1CC1 62a_100000764125_100009813782 [1,0,0,1,0,0|1,0,1]=4 7973 B16R1.17455 OCCCCCCCCCSCCC1CC1 62a_100009813782_100000764125 [1,0,0,1,0,0|1,0,1]=4 7974 B16R1.17539 BrCCCCCCOCC1CCCCCC1 34a_100011215345_200000696569 [1,0,0,1,0,0|2,0,0]=4 7975 B16R1.17539 BrCCCCCCOCC1CCCCCC1 7a_100011215345_200000696569 [1,0,0,1,0,0|2,0,0]=4 7976 B16R1.17539 C=CCCCCCCCN1CCCCCC1 2230a_100000185865_100012355270 [1,0,0,1,0,0|1,0,1]=4 7977 B16R1.17539 C=CCCCCCCCN1CCCCCC1 269982a_100000185865_100012355270 [1,0,0,1,0,0|1,0,1]=4 7978 B16R1.17539 C=CCCCCCCCN1CCCCCC1 34a_100000185865_100012355270 [1,0,0,1,0,0|1,0,1]=4 7979 B16R1.17539 C=CCCCCCCNC1CCCCCC1 2230a_100000210984_100011215473 [1,0,0,1,0,0|1,0,1]=4 7980 B16R1.17539 C=CCCCCCCNC1CCCCCC1 34a_100000210984_100011215473 [1,0,0,1,0,0|1,0,1]=4 7981 B16R1.17539 C=CCCCCCCOC1CCCCCC1 34a_100000210887_100011215473 [1,0,0,1,0,0|1,0,1]=4 7982 B16R1.17539 C=CCCCCCCOC1CCCCCC1 34a_200011216477_100011217769 [1,0,0,1,0,0|1,0,1]=4 7983 B16R1.17539 C=CCCCCCCOC1CCCCCC1 7a_100000210887_100011215473 [1,0,0,1,0,0|1,0,1]=4 7984 B16R1.17539 C=CCCCCCNCC1CCCCCC1 2230a_100015204231_100000700193 [1,0,0,1,0,0|1,0,1]=4 7985 B16R1.17539 C=CCCCCCNCC1CCCCCC1 34a_100015204231_100000700193 [1,0,0,1,0,0|1,0,1]=4 7986 B16R1.17539 C=CCCCCCOCC1CCCCCC1 34a_100000699130_100000700193 [1,0,0,1,0,0|1,0,1]=4 7987 B16R1.17539 C=CCCCCCOCC1CCCCCC1 34a_100011216702_200000696569 [1,0,0,1,0,0|1,0,1]=4 7988 B16R1.17539 C=CCCCCCOCC1CCCCCC1 7a_100000699130_100000700193 [1,0,0,1,0,0|1,0,1]=4 7989 B16R1.17539 C=CCCCCCOCC1CCCCCC1 7a_100011216702_200000696569 [1,0,0,1,0,0|1,0,1]=4 7990 B16R1.17539 C=CCCCCNCCC1CCCCCC1 2230a_100011532351_100011215482 [1,0,0,1,0,0|1,0,1]=4 7991 B16R1.17539 C=CCCCCNCCC1CCCCCC1 34a_100011532351_100011215482 [1,0,0,1,0,0|1,0,1]=4 7992 B16R1.17539 CCCCCCCCCN1CCCCCC1 2230a_100000185865_100011214924 [1,0,0,1,0,0|1,0,1]=4 7993 B16R1.17539 CCCCCCCCCN1CCCCCC1 269982a_100000185865_100000210670 [1,0,0,1,0,0|1,0,1]=4 7994 B16R1.17539 CCCCCCCCCN1CCCCCC1 34a_100000185865_100011214924 [1,0,0,1,0,0|1,0,1]=4 7995 B16R1.17539 CCCCCCCCNC1CCCCCC1 2230a_100000210984_100000210759 [1,0,0,1,0,0|1,0,1]=4 7996 B16R1.17539 CCCCCCCCNC1CCCCCC1 270004a_100000229939_100000210131 [1,0,0,1,0,0|1,0,1]=4 7997 B16R1.17539 CCCCCCCCNC1CCCCCC1 34a_100000210984_100000210759 [1,0,0,1,0,0|1,0,1]=4 7998 B16R1.17539 CCCCCCCCNC1CCCCCC1 34a_100000229939_100011217769 [1,0,0,1,0,0|1,0,1]=4 7999 B16R1.17539 CCCCCCCNCC1CCCCCC1 2230a_100000229938_200000696569 [1,0,0,1,0,0|1,0,1]=4 8000 B16R1.17539 CCCCCCCNCC1CCCCCC1 2230a_100015204231_100000210681 [1,0,0,1,0,0|1,0,1]=4 8001 B16R1.17539 CCCCCCCNCC1CCCCCC1 269862a_100000229938_200000763224 [1,0,0,1,0,0|1,0,1]=4 8002 B16R1.17539 CCCCCCCNCC1CCCCCC1 34a_100015204231_100000210614 [1,0,0,1,0,0|1,0,1]=4 8003 B16R1.17539 CCCCCCCOCC1CCCCCC1 34a_100000210272_200000696569 [1,0,0,1,0,0|1,0,1]=4 8004 B16R1.17539 CCCCCCCOCC1CCCCCC1 34a_100000699130_100000210614 [1,0,0,1,0,0|1,0,1]=4 8005 B16R1.17539 CCCCCCCOCC1CCCCCC1 7a_100000210272_200000696569 [1,0,0,1,0,0|1,0,1]=4 8006 B16R1.17539 CCCCCCCOCC1CCCCCC1 7a_100000699130_100000210614 [1,0,0,1,0,0|1,0,1]=4 8007 B16R1.17539 CCCCCCNCCC1CCCCCC1 2230a_100011532351_100000210314 [1,0,0,1,0,0|1,0,1]=4 8008 B16R1.17539 CCCCCCNCCC1CCCCCC1 34a_100011532351_100000210314 [1,0,0,1,0,0|1,0,1]=4 8009 B16R1.17539 ClCCCCCCOCC1CCCCCC1 34a_100000766143_200000696569 [1,0,0,1,0,0|2,0,0]=4 8010 B16R1.17539 ClCCCCCCOCC1CCCCCC1 7a_100000766143_200000696569 [1,0,0,1,0,0|2,0,0]=4 8011 B16R1.17539 FCCCCCCNCC1CCCCCC1 2230a_100015204231_100015922095 [1,0,0,1,0,0|2,0,0]=4 8012 B16R1.17539 FCCCCCCNCC1CCCCCC1 34a_100015204231_100015922095 [1,0,0,1,0,0|2,0,0]=4 8013 B16R1.17539 FCCCCCCOCC1CCCCCC1 34a_100000699130_100015922095 [1,0,0,1,0,0|2,0,0]=4 8014 B16R1.17539 FCCCCCCOCC1CCCCCC1 34a_100000732779_200000696569 [1,0,0,1,0,0|2,0,0]=4 8015 B16R1.17539 FCCCCCCOCC1CCCCCC1 7a_100000699130_100015922095 [1,0,0,1,0,0|2,0,0]=4 8016 B16R1.17539 FCCCCCCOCC1CCCCCC1 7a_100000732779_200000696569 [1,0,0,1,0,0|2,0,0]=4 8017 B16R1.17539 FCCCCCNCCC1CCCCCC1 2230a_100011532351_100000729378 [1,0,0,1,0,0|2,0,0]=4 8018 B16R1.17539 FCCCCCNCCC1CCCCCC1 34a_100011532351_100000729378 [1,0,0,1,0,0|2,0,0]=4 8019 B16R1.17539 NCCCCCCCOC1CCCCCC1 34a_100011996573_100011217769 [1,0,0,1,0,0|2,0,0]=4 8020 B16R1.17539 NCCCCCCOCC1CCCCCC1 34a_100000686447_200000696569 [1,0,0,1,0,0|2,0,0]=4 8021 B16R1.17539 O=CCCCCCNCC1CCCCCC1 2230a_100015204231_100000139337 [1,0,0,1,0,0|1,0,0]=3 8022 B16R1.17539 O=CCCCCCOCC1CCCCCC1 7a_100000699130_100000139337 [1,0,0,1,0,0|1,0,0]=3 8023 B16R1.17539 O=CCCCCCSCC1CCCCCC1 62a_100000139337_200000696569 [1,0,0,1,0,0|1,0,0]=3 8024 B16R1.17539 O=CCCCCCSCC1CCCCCC1 62a_200000696569_100000139337 [1,0,0,1,0,0|1,0,0]=3 8025 B16R1.17539 O=CCCCCNCCC1CCCCCC1 2230a_100011532351_100000139335 [1,0,0,1,0,0|1,0,0]=3 8026 B16R1.17539 O=CCCCCSCCN1CCCCCC1 62a_100000139335_100000722644 [1,0,0,1,0,0|2,0,0]=4 8027 B16R1.17539 O=CCCCCSCCN1CCCCCC1 62a_100000722644_100000139335 [1,0,0,1,0,0|2,0,0]=4 8028 B16R1.17539 O=CCCCOCCCN1CCCCCC1 7a_100102886287_200011292268 [1,0,0,1,0,0|2,0,0]=4 8029 B16R1.17539 OCCCCCCCCN1CCCCCC1 2230a_100000185865_100000033203 [1,0,0,1,0,0|1,0,1]=4 8030 B16R1.17539 OCCCCCCCCN1CCCCCC1 269982a_100000185865_100000033203 [1,0,0,1,0,0|1,0,1]=4 8031 B16R1.17539 OCCCCCCCCN1CCCCCC1 34a_100000185865_100000033203 [1,0,0,1,0,0|1,0,1]=4 8032 B16R1.17539 OCCCCCCCNC1CCCCCC1 2230a_100000210984_100000760002 [1,0,0,1,0,0|1,0,1]=4 8033 B16R1.17539 OCCCCCCCNC1CCCCCC1 270004a_100011996573_100000210131 [1,0,0,1,0,0|1,0,1]=4 8034 B16R1.17539 OCCCCCCCNC1CCCCCC1 34a_100000210984_100000760002 [1,0,0,1,0,0|1,0,1]=4 8035 B16R1.17539 OCCCCCCCNC1CCCCCC1 34a_100011996573_100011217769 [1,0,0,1,0,0|1,0,1]=4 8036 B16R1.17539 OCCCCCCCOC1CCCCCC1 34a_100000210887_100000760002 [1,0,0,1,0,0|1,0,1]=4 8037 B16R1.17539 OCCCCCCCOC1CCCCCC1 7a_100000210887_100000760002 [1,0,0,1,0,0|1,0,1]=4 8038 B16R1.17539 OCCCCCCCSC1CCCCCC1 62a_100000760002_100011217769 [1,0,0,1,0,0|1,0,1]=4 8039 B16R1.17539 OCCCCCCCSC1CCCCCC1 62a_100011217769_100000760002 [1,0,0,1,0,0|1,0,1]=4 8040 B16R1.17539 OCCCCCCNCC1CCCCCC1 2230a_100000686447_200000696569 [1,0,0,1,0,0|1,0,1]=4 8041 B16R1.17539 OCCCCCCNCC1CCCCCC1 2230a_100015204231_100000766143 [1,0,0,1,0,0|1,0,1]=4 8042 B16R1.17539 OCCCCCCNCC1CCCCCC1 269862a_100000686447_200000763224 [1,0,0,1,0,0|1,0,1]=4 8043 B16R1.17539 OCCCCCCNCC1CCCCCC1 34a_100000686447_200000696569 [1,0,0,1,0,0|1,0,1]=4 8044 B16R1.17539 OCCCCCCNCC1CCCCCC1 34a_100015204231_100000766143 [1,0,0,1,0,0|1,0,1]=4 8045 B16R1.17539 OCCCCCCOCC1CCCCCC1 34a_100000699130_100000766143 [1,0,0,1,0,0|1,0,1]=4 8046 B16R1.17539 OCCCCCCOCC1CCCCCC1 7a_100000699130_100000766143 [1,0,0,1,0,0|1,0,1]=4 8047 B16R1.17539 OCCCCCCSCC1CCCCCC1 62a_100000766143_200000696569 [1,0,0,1,0,0|1,0,1]=4 8048 B16R1.17539 OCCCCCCSCC1CCCCCC1 62a_200000696569_100000766143 [1,0,0,1,0,0|1,0,1]=4 8049 B16R1.17539 OCCCCCNCCC1CCCCCC1 2230a_100011532351_100000746330 [1,0,0,1,0,0|1,0,1]=4 8050 B16R1.17539 OCCCCCNCCC1CCCCCC1 34a_100011532351_100000746330 [1,0,0,1,0,0|1,0,1]=4 8051 B16R1.20288 C=CCC1CCCCC1NCCCCCC 269862a_100000210581_100011214939 [1,0,0,1,0,0|1,0,1]=4 8052 B16R1.20288 C=CCC1CCCCC1NCCCCCC 270004a_100000210581_100011214939 [1,0,0,1,0,0|1,0,1]=4 8053 B16R1.20288 C=CCCCCCN1CCCCC1CCC 2230a_100000701414_100000700193 [1,0,0,1,0,0|1,0,1]=4 8054 B16R1.20288 C=CCCCCCN1CCCCC1CCC 269982a_100000701414_100000700193 [1,0,0,1,0,0|1,0,1]=4 8055 B16R1.20288 C=CCCCCCN1CCCCC1CCC 34a_100000701414_100000700193 [1,0,0,1,0,0|1,0,1]=4 8056 B16R1.20288 C=CCCCCNC1CCCCC1CCC 269862a_100000703577_100011218038 [1,0,0,1,0,0|1,0,1]=4 8057 B16R1.20288 C=CCCCCNC1CCCCC1CCC 270004a_100000703577_100011218038 [1,0,0,1,0,0|1,0,1]=4 8058 B16R1.20288 C=CCCCCOC1CCCCC1CCC 34a_100011217265_100011215482 [1,0,0,1,0,0|1,0,1]=4 8059 B16R1.20288 C=CCCCCOC1CCCCC1CCC 7a_100011217265_100011215482 [1,0,0,1,0,0|1,0,1]=4 8060 B16R1.20288 CCCC1CCCCC1NCCCCCO 269862a_100000762737_100011218038 [1,0,0,1,0,0|1,0,1]=4 8061 B16R1.20288 CCCC1CCCCC1NCCCCCO 270004a_100000762737_100011218038 [1,0,0,1,0,0|1,0,1]=4 8062 B16R1.20288 CCCC1CCCCC1OCCCCC=O 7a_100011217265_100000139335 [1,0,0,1,0,0|1,0,0]=3 8063 B16R1.20288 CCCC1CCCCC1OCCCCCF 34a_100011217265_100000729378 [1,0,0,1,0,0|2,0,0]=4 8064 B16R1.20288 CCCC1CCCCC1OCCCCCF 7a_100011217265_100000729378 [1,0,0,1,0,0|2,0,0]=4 8065 B16R1.20288 CCCC1CCCCC1OCCCCCO 34a_100011217265_100000746330 [1,0,0,1,0,0|1,0,1]=4 8066 B16R1.20288 CCCC1CCCCC1OCCCCCO 7a_100011217265_100000746330 [1,0,0,1,0,0|1,0,1]=4 8067 B16R1.20288 CCCC1CCCCN1CCCCCC=O 2230a_100000701414_100000139337 [1,0,0,1,0,0|1,0,0]=3 8068 B16R1.20288 CCCC1CCCCN1CCCCCC=O 269982a_100000701414_100000139337 [1,0,0,1,0,0|1,0,0]=3 8069 B16R1.20288 CCCC1CCCCN1CCCCCCF 2230a_100000701414_100015922095 [1,0,0,1,0,0|2,0,0]=4 8070 B16R1.20288 CCCC1CCCCN1CCCCCCF 269982a_100000701414_100015922095 [1,0,0,1,0,0|2,0,0]=4 8071 B16R1.20288 CCCC1CCCCN1CCCCCCF 34a_100000701414_100015922095 [1,0,0,1,0,0|2,0,0]=4 8072 B16R1.20288 CCCC1CCCCN1CCCCCCO 2230a_100000701414_100000766143 [1,0,0,1,0,0|1,0,1]=4 8073 B16R1.20288 CCCC1CCCCN1CCCCCCO 269982a_100000701414_100000766143 [1,0,0,1,0,0|1,0,1]=4 8074 B16R1.20288 CCCC1CCCCN1CCCCCCO 34a_100000701414_100000766143 [1,0,0,1,0,0|1,0,1]=4 8075 B16R1.20288 CCCC1COCCN1CCCCCC=O 2230a_102495339903_100000139337 [1,0,0,1,0,0|2,0,0]=4 8076 B16R1.20288 CCCC1COCCN1CCCCCC=O 269982a_102495339903_100000139337 [1,0,0,1,0,0|2,0,0]=4 8077 B16R1.20288 CCCCCCCN1CCCCC1CCC 2230a_100000701414_100000210681 [1,0,0,1,0,0|1,0,1]=4 8078 B16R1.20288 CCCCCCCN1CCCCC1CCC 269982a_100000701414_100000210681 [1,0,0,1,0,0|1,0,1]=4 8079 B16R1.20288 CCCCCCCN1CCCCC1CCC 34a_100000701414_100000210614 [1,0,0,1,0,0|1,0,1]=4 8080 B16R1.20288 CCCCCCCN1CCCCC1CCO 2230a_100000211664_100000210681 [1,0,0,1,0,0|1,0,1]=4 8081 B16R1.20288 CCCCCCCN1CCCCC1CCO 269982a_100000211664_100000210681 [1,0,0,1,0,0|1,0,1]=4 8082 B16R1.20288 CCCCCCCN1CCCCC1CCO 34a_100000211664_100000210614 [1,0,0,1,0,0|1,0,1]=4 8083 B16R1.20288 CCCCCCNC1CCCCC1CCC 269862a_100000210581_100011218038 [1,0,0,1,0,0|1,0,1]=4 8084 B16R1.20288 CCCCCCNC1CCCCC1CCC 270004a_100000210581_100011218038 [1,0,0,1,0,0|1,0,1]=4 8085 B16R1.20288 CCCCCCOC1CCCCC1CCC 34a_100011217265_100000210314 [1,0,0,1,0,0|1,0,1]=4 8086 B16R1.20288 CCCCCCOC1CCCCC1CCC 7a_100011217265_100000210314 [1,0,0,1,0,0|1,0,1]=4 8087 B16R1.20288 COCC1CCCCN1CCCCCC=O 2230a_100015184032_100000139337 [1,0,0,1,0,0|2,0,0]=4 8088 B16R1.20288 COCC1CCCCN1CCCCCC=O 269982a_100015184032_100000139337 [1,0,0,1,0,0|2,0,0]=4 8089 B16R1.20288 O=CCCCCCN1CCCCC1CCO 2230a_100000211664_100000139337 [1,0,0,1,0,0|2,0,0]=4 8090 B16R1.20288 O=CCCCCCN1CCCCC1CCO 269982a_100000211664_100000139337 [1,0,0,1,0,0|2,0,0]=4 8091 B16R1.20290 C=CCCCCCN1CCCCCCCC1 2230a_100000039187_100000700193 [1,0,0,1,0,0|1,0,1]=4 8092 B16R1.20290 C=CCCCCCN1CCCCCCCC1 269982a_100000039187_100000700193 [1,0,0,1,0,0|1,0,1]=4 8093 B16R1.20290 C=CCCCCCN1CCCCCCCC1 34a_100000039187_100000700193 [1,0,0,1,0,0|1,0,1]=4 8094 B16R1.20290 C=CCCCCNC1CCCCCCCC1 270004a_100000703577_100000038600 [1,0,0,1,0,0|1,0,1]=4 8095 B16R1.20290 CCCCCCCN1CCCCCCCC1 2230a_100000039187_100000210681 [1,0,0,1,0,0|1,0,1]=4 8096 B16R1.20290 CCCCCCCN1CCCCCCCC1 269982a_100000039187_100000210681 [1,0,0,1,0,0|1,0,1]=4 8097 B16R1.20290 CCCCCCCN1CCCCCCCC1 34a_100000039187_100000210614 [1,0,0,1,0,0|1,0,1]=4 8098 B16R1.20290 CCCCCCNC1CCCCCCCC1 270004a_100000210581_100000038600 [1,0,0,1,0,0|1,0,1]=4 8099 B16R1.20290 FCCCCCCN1CCCCCCCC1 2230a_100000039187_100015922095 [1,0,0,1,0,0|2,0,0]=4 8100 B16R1.20290 FCCCCCCN1CCCCCCCC1 269982a_100000039187_100015922095 [1,0,0,1,0,0|2,0,0]=4 8101 B16R1.20290 FCCCCCCN1CCCCCCCC1 34a_100000039187_100015922095 [1,0,0,1,0,0|2,0,0]=4 8102 B16R1.20290 O=CCCCCCN1CCCCCCCC1 2230a_100000039187_100000139337 [1,0,0,1,0,0|1,0,0]=3 8103 B16R1.20290 O=CCCCCCN1CCCCCCCC1 269982a_100000039187_100000139337 [1,0,0,1,0,0|1,0,0]=3 8104 B16R1.20290 OCCCCCCN1CCCCCCCC1 2230a_100000039187_100000766143 [1,0,0,1,0,0|1,0,1]=4 8105 B16R1.20290 OCCCCCCN1CCCCCCCC1 269982a_100000039187_100000766143 [1,0,0,1,0,0|1,0,1]=4 8106 B16R1.20290 OCCCCCCN1CCCCCCCC1 34a_100000039187_100000766143 [1,0,0,1,0,0|1,0,1]=4 8107 B16R1.20290 OCCCCCNC1CCCCCCCC1 270004a_100000762737_100000038600 [1,0,0,1,0,0|1,0,1]=4 8108 B18R1.356 CCCCCCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210314 [0,1,0,1,0,0|2,0,0]=4 8109 B18R1.356 CCCCCCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000210757 [0,1,0,1,0,0|2,0,0]=4 8110 B18R1.356 CCCCCCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210314 [0,1,0,1,0,0|2,0,0]=4 8111 B18R1.372 CCCCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000189428 [0,1,0,1,0,0|1,0,0]=3 8112 B18R1.372 CCCCCCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000189428 [0,1,0,1,0,0|2,0,0]=4 8113 B18R1.372 CCCCCCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000189428 [0,1,0,1,0,0|2,0,0]=4 8114 B18R1.372 CCCCCCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000189428 [0,1,0,1,0,0|2,0,0]=4 8115 B18R1.372 CCCCCCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000189428 [0,1,0,1,0,0|2,0,0]=4 8116 B18R1.378 C=CCC1CCCCC1NCCCCCC(C)C 269862a_100011290863_100011214939 [0,1,0,1,0,0|2,0,0]=4 8117 B18R1.378 C=CCC1CCCCC1NCCCCCC(C)C 270004a_100011290863_100011214939 [0,1,0,1,0,0|2,0,0]=4 8118 B18R1.378 CCCC1CCCCC1NCCCCNC(=O)C 269862a_200011368371_100011218038 [0,1,0,1,0,0|2,0,0]=4 8119 B18R1.378 CCCC1CCCCC1NCCCCNC(=O)C 270004a_200011368371_100011218038 [0,1,0,1,0,0|2,0,0]=4 8120 B18R1.378 CCCC1CCCCC1OCCCCCC(=O)N 34a_100011217265_100009817443 [0,1,0,1,0,0|1,0,0]=3 8121 B18R1.378 CCCC1CCCCC1OCCCCCC(=O)N 7a_100011217265_100009817443 [0,1,0,1,0,0|1,0,0]=3 8122 B18R1.378 CCCC1CCCCC1OCCCCOC(=O)C 34a_100011217265_100000033659 [0,1,0,1,0,0|2,0,0]=4 8123 B18R1.378 CCCC1CCCCC1OCCCCOC(=O)C 7a_100011217265_100000033659 [0,1,0,1,0,0|2,0,0]=4 8124 B18R1.378 CCCC1CCCCC1OCCCCSC(=O)C 34a_100011217265_200010402107 [0,1,0,1,0,0|2,0,0]=4 8125 B18R1.378 CCCC1CCCCC1OCCCCSC(=O)C 7a_100011217265_200010402107 [0,1,0,1,0,0|2,0,0]=4 8126 B18R1.378 CCCC1CCCCN1CCCCCOC(=O)C 2230a_100000701414_100009813381 [0,1,0,1,0,0|2,0,0]=4 8127 B18R1.378 CCCC1CCCCN1CCCCCOC(=O)C 269982a_100000701414_100000033007 [0,1,0,1,0,0|2,0,0]=4 8128 B18R1.378 CCCC1CCCCN1CCCCCOC(=O)C 34a_100000701414_100000033007 [0,1,0,1,0,0|2,0,0]=4 8129 B18R1.385 CCCC1CCCC1NCCCCCNC(=O)C 269862a_200012022750_100000723119 [0,1,0,1,0,0|2,0,0]=4 8130 B18R1.385 CCCC1CCCC1NCCCCCNC(=O)C 270004a_200012022750_100000723119 [0,1,0,1,0,0|2,0,0]=4 8131 B18R1.385 CCCN1CCCC1COCCCCCC(=O)N 34a_200000694710_100009817443 [0,1,0,1,0,0|2,0,0]=4 8132 B18R1.385 CCCN1CCCC1COCCCCCC(=O)N 7a_200000694710_100009817443 [0,1,0,1,0,0|2,0,0]=4 8133 B18R1.952 CCCCC1CCCC1NCCCCNC(=O)C 269862a_200011368371_100000750825 [0,1,0,1,0,0|2,0,0]=4 8134 B18R1.952 CCCCC1CCCC1NCCCCNC(=O)C 270004a_200011368371_100000750825 [0,1,0,1,0,0|2,0,0]=4 8135 B18R1.1108 C=CCCCCCCCCCN1CCCC(C1)F 2230a_100000697950_100009814027 [0,1,0,1,0,0|2,0,0]=4 8136 B18R1.1108 C=CCCCCCCCCCN1CCCC(C1)F 269982a_100000697950_100009814027 [0,1,0,1,0,0|2,0,0]=4 8137 B18R1.1108 C=CCCCCCCCCCN1CCCC(C1)F 34a_100000697950_100009814027 [0,1,0,1,0,0|2,0,0]=4 8138 B18R1.1108 C=CCCCCCCCCCN1CCCC(C1)O 2230a_100000211013_100009814027 [0,1,0,1,0,0|2,0,0]=4 8139 B18R1.1108 C=CCCCCCCCCCN1CCCC(C1)O 269982a_100000211013_100009814027 [0,1,0,1,0,0|2,0,0]=4 8140 B18R1.1108 C=CCCCCCCCCNC1CCCC(C1)O 2230a_100015190357_100011933949 [0,1,0,1,0,0|2,0,0]=4 8141 B18R1.1108 C=CCCCCCCCNCC1CCCC(C1)O 2230a_100011254705_100012355270 [0,1,0,1,0,0|2,0,0]=4 8142 B18R1.1108 CCCCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011215454 [0,1,0,1,0,0|2,0,0]=4 8143 B18R1.1108 CCCCCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011215454 [0,1,0,1,0,0|2,0,0]=4 8144 B18R1.1108 CCCCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210320 [0,1,0,1,0,0|2,0,0]=4 8145 B18R1.1108 CCCCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210320 [0,1,0,1,0,0|2,0,0]=4 8146 B18R1.1108 CCCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210320 [0,1,0,1,0,0|1,0,0]=3 8147 B18R1.1108 CCCCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210320 [0,1,0,1,0,0|2,0,0]=4 8148 B18R1.1108 CCCCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100011214924 [0,1,0,1,0,0|1,0,0]=3 8149 B18R1.1108 CCCCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100011214924 [0,1,0,1,0,0|2,0,0]=4 8150 B18R1.1108 CCCCCCCCCOCC1COCC(=O)N1 34a_200000101122_100011214924 [0,1,0,1,0,0|2,0,0]=4 8151 B18R1.1108 O=C1CCCC(C1)OCCCCCCCCCO 34a_100012613340_100009813782 [0,1,0,1,0,0|2,0,0]=4 8152 B18R1.1108 O=C1CCCC(N1)COCCCCCCCCO 34a_200000102386_100000033203 [0,1,0,1,0,0|2,0,0]=4 8153 B18R1.1139 COCCC1CCCCN1CCCCCC(=O)N 2230a_100015186528_100009817443 [0,1,0,1,0,0|2,0,0]=4 8154 B18R1.1139 COCCC1CCCCN1CCCCCC(=O)N 269982a_100015186528_100009817443 [0,1,0,1,0,0|2,0,0]=4 8155 B18R1.1139 COCCC1CCCCN1CCCCCC(=O)N 34a_100015186528_100009817443 [0,1,0,1,0,0|2,0,0]=4 8156 B18R1.1139 NC(=O)CCCCCN1CCCCC1CCCO 2230a_100011934581_100009817443 [0,1,0,1,0,0|2,0,0]=4 8157 B18R1.1139 NC(=O)CCCCCN1CCCCC1CCCO 269982a_100011934581_100009817443 [0,1,0,1,0,0|2,0,0]=4 8158 B18R1.1139 NC(=O)CCCCCN1CCCCC1CCCO 34a_100011934581_100009817443 [0,1,0,1,0,0|2,0,0]=4 8159 B18R1.1257 CCC1CCCCC1NCCCCCNC(=O)C 269862a_200012022750_100000757040 [0,1,0,1,0,0|2,0,0]=4 8160 B18R1.1257 CCC1CCCCC1NCCCCCNC(=O)C 270004a_200012022750_100000757040 [0,1,0,1,0,0|2,0,0]=4 8161 B18R1.1257 CCC1CCCCC1OCCCCCOC(=O)C 34a_100000210738_100000033007 [0,1,0,1,0,0|2,0,0]=4 8162 B18R1.1257 CCC1CCCCC1OCCCCCOC(=O)C 7a_100000210738_100000033007 [0,1,0,1,0,0|2,0,0]=4 8163 B18R1.1257 CCC1CCCCN1CCCNCCCC(=O)C 34a_100011191702_100000685027 [0,1,0,1,0,0|2,0,0]=4 8164 B18R1.1257 CCC1CCCCN1CCCNCCCC(=O)N 34a_100011191702_100102525003 [0,1,0,1,0,0|2,0,0]=4 8165 B18R1.1257 CCC1CCCCN1CCNCCCCC(=O)C 34a_100000755458_100009817362 [0,1,0,1,0,0|2,0,0]=4 8166 B18R1.1257 CCN1CCCCC1CNCCCCCC(=O)N 2230a_100000754393_100009817443 [0,1,0,1,0,0|2,0,0]=4 8167 B18R1.1257 CCN1CCCCC1CNCCCCCC(=O)N 34a_100000754393_100009817443 [0,1,0,1,0,0|2,0,0]=4 8168 B18R1.1257 CCN1CCCCC1COCCCCCC(=O)N 34a_100000225091_100009817443 [0,1,0,1,0,0|2,0,0]=4 8169 B18R1.1257 CCN1CCCCC1COCCCCCC(=O)N 7a_100000225091_100009817443 [0,1,0,1,0,0|2,0,0]=4 8170 B18R1.1260 C=CCCCCCCCCCCN1CCC(C1)O 2230a_100011215560_100011093070 [0,1,0,1,0,0|2,0,0]=4 8171 B18R1.1260 C=CCCCCCCCCCCN1CCC(C1)O 269982a_100011215560_100011093070 [0,1,0,1,0,0|2,0,0]=4 8172 B18R1.1260 C=CCCCCCCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100011093070 [0,1,0,1,0,0|2,0,0]=4 8173 B18R1.1260 C=CCCCCCCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100011093070 [0,1,0,1,0,0|2,0,0]=4 8174 B18R1.1260 C=CCCCCCCCCCCN1CC[C@@H](C1)F 34a_100015203821_100011093070 [0,1,0,1,0,0|2,0,0]=4 8175 B18R1.1260 C=CCCCCCCCCCNC1CCC(C1)O 270004a_100000081888_100012614533 [0,1,0,1,0,0|2,0,0]=4 8176 B18R1.1260 C=CCCCCCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100009814027 [0,1,0,1,0,0|2,0,0]=4 8177 B18R1.1260 CCCCCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011215052 [0,1,0,1,0,0|2,0,0]=4 8178 B18R1.1260 CCCCCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100011215454 [0,1,0,1,0,0|2,0,0]=4 8179 B18R1.1260 CCCCCCCCCCCNC1COC(=O)O1 34a_200011215754_100000032252 [0,1,0,1,0,0|2,0,0]=4 8180 B18R1.1260 CCCCCCCCCCCOC1CCC(=O)C1 34a_100012614533_100011215454 [0,1,0,1,0,0|1,0,0]=3 8181 B18R1.1260 CCCCCCCCCCCOC1CNC(=O)C1 34a_100000690082_100011215454 [0,1,0,1,0,0|2,0,0]=4 8182 B18R1.1260 CCCCCCCCCCCOC1COC(=O)O1 34a_100000210809_100000032252 [0,1,0,1,0,0|2,0,0]=4 8183 B18R1.1260 CCCCCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210320 [0,1,0,1,0,0|2,0,0]=4 8184 B18R1.1260 CCCCCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210320 [0,1,0,1,0,0|2,0,0]=4 8185 B18R1.1260 CCCCCCCCCCNCC1CNC(=O)O1 2230a_100000684558_100000181169 [0,1,0,1,0,0|2,0,0]=4 8186 B18R1.1260 CCCCCCCCCCNCC1CNC(=O)O1 34a_100000684558_100000181169 [0,1,0,1,0,0|2,0,0]=4 8187 B18R1.1260 CCCCCCCCCCNCC1COC(=O)O1 34a_100000684558_100000073702 [0,1,0,1,0,0|2,0,0]=4 8188 B18R1.1260 CCCCCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000684558_100015189358 [0,1,0,1,0,0|1,0,0]=3 8189 B18R1.1260 CCCCCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210320 [0,1,0,1,0,0|1,0,0]=3 8190 B18R1.1260 CCCCCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210320 [0,1,0,1,0,0|1,0,0]=3 8191 B18R1.1260 CCCCCCCCCCNC[C@H]1COC(=O)N1 2230a_100000684558_100015307671 [0,1,0,1,0,0|2,0,0]=4 8192 B18R1.1260 CCCCCCCCCCNC[C@H]1COC(=O)N1 34a_100000684558_100015307671 [0,1,0,1,0,0|2,0,0]=4 8193 B18R1.1260 CCCCCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210320 [0,1,0,1,0,0|1,0,0]=3 8194 B18R1.1260 CCCCCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210320 [0,1,0,1,0,0|2,0,0]=4 8195 B18R1.1260 CCCCCCCCCCOCC1CNC(=O)O1 34a_100000210711_100000181169 [0,1,0,1,0,0|2,0,0]=4 8196 B18R1.1260 CCCCCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210320 [0,1,0,1,0,0|2,0,0]=4 8197 B18R1.1260 CCCCCCCCCCOCC1CNC(=O)O1 7a_100000210711_100000181169 [0,1,0,1,0,0|2,0,0]=4 8198 B18R1.1260 CCCCCCCCCCOCC1COC(=O)O1 34a_100000210711_100000073702 [0,1,0,1,0,0|2,0,0]=4 8199 B18R1.1260 CCCCCCCCCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210320 [0,1,0,1,0,0|2,0,0]=4 8200 B18R1.1260 CCCCCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210711_100015189358 [0,1,0,1,0,0|1,0,0]=3 8201 B18R1.1260 CCCCCCCCCCOC[C@H]1COC(=O)N1 34a_100000210711_100015307671 [0,1,0,1,0,0|2,0,0]=4 8202 B18R1.1260 CCCCCCCCCCOC[C@H]1COC(=O)N1 7a_100000210711_100015307671 [0,1,0,1,0,0|2,0,0]=4 8203 B18R1.1260 CCCCCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210320 [0,1,0,1,0,0|2,0,0]=4 8204 B18R1.1260 CCCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210320 [0,1,0,1,0,0|2,0,0]=4 8205 B18R1.1260 CCCCCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210320 [0,1,0,1,0,0|1,0,0]=3 8206 B18R1.1260 CCCCCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210320 [0,1,0,1,0,0|2,0,0]=4 8207 B18R1.1260 O=C1CCC(C1)OCCCCCCCCCCO 34a_100012614533_100009813290 [0,1,0,1,0,0|2,0,0]=4 8208 B18R1.1260 O=C1CCC(N1)COCCCCCCCCCO 34a_100000737831_100009813782 [0,1,0,1,0,0|2,0,0]=4 8209 B18R1.1260 O=C1CC[C@@H](N1)CNCCCCCCCCCO 2230a_100015423886_100009813782 [0,1,0,1,0,0|2,0,0]=4 8210 B18R1.1260 O=C1CC[C@@H](N1)CNCCCCCCCCCO 34a_100015423886_100009813782 [0,1,0,1,0,0|2,0,0]=4 8211 B18R1.1260 O=C1CC[C@H](N1)CNCCCCCCCCCO 2230a_100000078944_100015189358 [0,1,0,1,0,0|2,0,0]=4 8212 B18R1.1260 O=C1CC[C@H](N1)COCCCCCCCCCBr 7a_100009813782_100015189358 [0,1,0,1,0,0|2,0,0]=4 8213 B18R1.1260 O=C1CC[C@H](N1)COCCCCCCCCCCl 7a_100009868337_100015189358 [0,1,0,1,0,0|2,0,0]=4 8214 B18R1.1260 O=C1CC[C@H](N1)CSCCCCCCCCCO 62a_100009813782_100015189358 [0,1,0,1,0,0|2,0,0]=4 8215 B18R1.1260 O=C1CC[C@H](N1)CSCCCCCCCCCO 62a_100015189358_100009813782 [0,1,0,1,0,0|2,0,0]=4 8216 B18R1.1313 COCCCC1CCCCN1CCCCC(=O)C 269982a_100011804088_100000735457 [0,1,0,1,0,0|2,0,0]=4 8217 B18R1.1313 COCCCC1CCCCN1CCCCC(=O)C 34a_100011804088_100009817362 [0,1,0,1,0,0|2,0,0]=4 8218 B18R1.1326 CCCCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_200000198059 [0,1,0,1,0,0|1,0,0]=3 8219 B18R1.1326 CCCCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_200000198059 [0,1,0,1,0,0|1,0,0]=3 8220 B18R1.1326 CCCCCC1CCCC1NCCCNC(=O)C 269862a_100000736810_200000198059 [0,1,0,1,0,0|2,0,0]=4 8221 B18R1.1326 CCCCCC1CCCC1NCCCNC(=O)C 270004a_100000736810_200000198059 [0,1,0,1,0,0|2,0,0]=4 8222 B18R1.4119 CCCCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210614 [0,1,0,1,0,0|1,0,0]=3 8223 B18R1.4119 CCCCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000743108 [0,1,0,1,0,0|2,0,0]=4 8224 B18R1.4119 CN(C)CCC1CCCCN1CCCCCC=O 269982a_100000243220_100000139337 [0,1,0,1,0,0|2,0,0]=4 8225 B18R1.4119 O=C(O)CCC1CCCCN1CCCCCCF 269956a_100000694054_100015922095 [0,1,0,1,0,0|2,0,0]=4 8226 B18R1.4119 O=C(O)CCC1CCCCN1CCCCCCO 269956a_100000694054_100000766143 [0,1,0,1,0,0|2,0,0]=4 8227 B18R1.4136 CCCCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_200011216720 [0,1,0,1,0,0|1,0,0]=3 8228 B18R1.5428 C=CCCCCCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_102130925996 [0,1,0,1,0,0|2,0,0]=4 8229 B18R1.5428 C=CCCCCCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_102130925996 [0,1,0,1,0,0|2,0,0]=4 8230 B18R1.5428 C=CCCCCCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_102130925996 [0,1,0,1,0,0|2,0,0]=4 8231 B18R1.5428 CC1CC1COCCCCCCCCCCCO 34a_100000744939_100009812471 [0,1,0,1,0,0|0,0,2]=4 8232 B18R1.5428 CC1CC1COCCCCCCCCCCCO 7a_100000744939_100009812471 [0,1,0,1,0,0|0,0,2]=4 8233 B18R1.5438 CC(C)N1CCCCC1CCNCCCCC=O 2230a_100011919236_100000139335 [0,1,0,1,0,0|2,0,0]=4 8234 B18R1.5438 CCCCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100011214924 [0,1,0,1,0,0|1,0,0]=3 8235 B18R1.5438 CCCCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210670 [0,1,0,1,0,0|1,0,0]=3 8236 B18R1.5438 CCCCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100011214924 [0,1,0,1,0,0|1,0,0]=3 8237 B18R1.5438 CCCCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210670 [0,1,0,1,0,0|1,0,0]=3 8238 B18R1.5438 CCCCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210670 [0,1,0,1,0,0|2,0,0]=4 8239 B18R1.5438 CCCCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210670 [0,1,0,1,0,0|2,0,0]=4 8240 B18R1.5438 CCCCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210670 [0,1,0,1,0,0|2,0,0]=4 8241 B18R1.5438 CCCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210759 [0,1,0,1,0,0|1,0,0]=3 8242 B18R1.5438 COCCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011998445 [0,1,0,1,0,0|2,0,0]=4 8243 B18R1.5438 NC(=O)C1CCCCN1CCCCCCCCO 2230a_100000181395_100000033203 [0,1,0,1,0,0|2,0,0]=4 8244 B18R1.5438 NC(=O)C1CCCCN1CCCCCCCCO 269982a_100000181395_100000033203 [0,1,0,1,0,0|2,0,0]=4 8245 B18R1.5438 NC(=O)C1CCCCN1CCCCCCCCO 34a_100000181395_100000033203 [0,1,0,1,0,0|2,0,0]=4 8246 B18R1.5438 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCCCO 269956a_100009816435_100000760002 [0,1,0,1,0,0|2,0,0]=4 8247 B18R1.5438 O=C(O)[C@H]1CCCCN1CCCCCCCCO 269956a_100000763471_100000033203 [0,1,0,1,0,0|2,0,0]=4 8248 B18R1.6270 CC(C)CC1CCCCCN1CCCCCC=O 2230a_100000759364_100000139337 [0,1,0,1,0,0|1,0,0]=3 8249 B18R1.6270 CC(C)CC1CCCCCN1CCCCCC=O 269982a_100000759364_100000139337 [0,1,0,1,0,0|1,0,0]=3 8250 B18R1.8743 C=CCCCCCCCCCCCN1CC(C1)F 2230a_100000690557_102130925996 [0,1,0,1,0,0|2,0,0]=4 8251 B18R1.8743 C=CCCCCCCCCCCCN1CC(C1)F 269982a_100000690557_102130925996 [0,1,0,1,0,0|2,0,0]=4 8252 B18R1.8743 C=CCCCCCCCCCCCN1CC(C1)F 34a_100000690557_102130925996 [0,1,0,1,0,0|2,0,0]=4 8253 B18R1.8743 C=CCCCCCCCCCCCN1CC(C1)O 269982a_100000749847_102130925996 [0,1,0,1,0,0|2,0,0]=4 8254 B18R1.8743 C=CCCCCCCCCCCNC1CC(C1)F 2230a_100016993743_100011093070 [0,1,0,1,0,0|2,0,0]=4 8255 B18R1.8743 C=CCCCCCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011093070 [0,1,0,1,0,0|2,0,0]=4 8256 B18R1.8743 C=CCCCCCCCCCNCC1CC(C1)O 2230a_100016992100_100009814027 [0,1,0,1,0,0|2,0,0]=4 8257 B18R1.8743 CCCCCCCCCCCNCC1CC(=O)C1 2230a_200011215754_100009874392 [0,1,0,1,0,0|1,0,0]=3 8258 B18R1.8743 CCCCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011215454 [0,1,0,1,0,0|1,0,0]=3 8259 B18R1.8743 CCCCCCCCCCCOCC1CC(=O)C1 7a_100000210809_100009874392 [0,1,0,1,0,0|1,0,0]=3 8260 B18R1.8743 O=C1CC(C1)CNCCCCCCCCCCO 2230a_100000066964_100009874392 [0,1,0,1,0,0|2,0,0]=4 8261 B18R1.8743 O=C1CC(C1)COCCCCCCCCCCBr 7a_100009813290_100009874392 [0,1,0,1,0,0|2,0,0]=4 8262 B18R1.8743 O=C1CC(C1)COCCCCCCCCCCCl 7a_200000033068_100009874392 [0,1,0,1,0,0|2,0,0]=4 8263 B18R1.8743 O=C1CC(C1)COCCCCCCCCCCO 34a_100000101936_100009813290 [0,1,0,1,0,0|2,0,0]=4 8264 B18R1.8743 O=C1CC(C1)CSCCCCCCCCCCO 62a_100009813290_100009874392 [0,1,0,1,0,0|2,0,0]=4 8265 B18R1.8743 O=C1CC(C1)CSCCCCCCCCCCO 62a_100009874392_200000033068 [0,1,0,1,0,0|2,0,0]=4 8266 B18R1.8758 CC(C)CN1CCCCC1CCNCCCC=O 2230a_200011919211_200011292268 [0,1,0,1,0,0|2,0,0]=4 8267 B18R1.8758 CCCCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210759 [0,1,0,1,0,0|1,0,0]=3 8268 B18R1.8758 CCCCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210759 [0,1,0,1,0,0|1,0,0]=3 8269 B18R1.8758 CCCCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210759 [0,1,0,1,0,0|1,0,0]=3 8270 B18R1.8758 COCCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100011998445 [0,1,0,1,0,0|2,0,0]=4 8271 B18R1.8758 COCCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100011998445 [0,1,0,1,0,0|2,0,0]=4 8272 B18R1.8758 COCCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100011998445 [0,1,0,1,0,0|2,0,0]=4 8273 B18R1.8758 NC(=O)CC1CCCCN1CCCCCCCO 2230a_100015184752_100000760002 [0,1,0,1,0,0|2,0,0]=4 8274 B18R1.8758 NC(=O)CC1CCCCN1CCCCCCCO 269982a_100015184752_100000760002 [0,1,0,1,0,0|2,0,0]=4 8275 B18R1.8758 NC(=O)CC1CCCCN1CCCCCCCO 34a_100015184752_100000760002 [0,1,0,1,0,0|2,0,0]=4 8276 B18R1.10036 CC(C)CCCCCCNC1CCCCNC1=O 2230a_100000211014_100000735217 [0,1,0,1,0,0|2,0,0]=4 8277 B18R1.10036 CC(C)CCCNCCCN1CCCCCC1=O 2230a_100000195386_100011214892 [0,1,0,1,0,0|2,0,0]=4 8278 B18R1.10036 CC(C)CCCNCCCN1CCCCCC1=O 34a_100000195386_100011214892 [0,1,0,1,0,0|2,0,0]=4 8279 B18R1.10036 CC(O)CCCNCCCN1CCCCCC1=O 2230a_100000195386_200000718107 [0,1,0,1,0,0|2,0,0]=4 8280 B18R1.10036 CC(O)CCCNCCCN1CCCCCC1=O 34a_100000195386_200000718107 [0,1,0,1,0,0|2,0,0]=4 8281 B18R1.10471 CC(C)CCCCCCNCCN1CCCC1=O 2230a_100000211014_100000739059 [0,1,0,1,0,0|2,0,0]=4 8282 B18R1.10471 CC(C)CCCCCCNCCN1CCCC1=O 34a_100000211014_100000739059 [0,1,0,1,0,0|2,0,0]=4 8283 B18R1.10471 CC(C)CCCCCNCCCN1CCCC1=O 2230a_100000210347_100000210682 [0,1,0,1,0,0|2,0,0]=4 8284 B18R1.10471 CC(C)CCCCCNCCCN1CCCC1=O 34a_100000210347_100000210682 [0,1,0,1,0,0|2,0,0]=4 8285 B18R1.10471 CC(C)CCCCCOCCCN1CCCC1=O 34a_100011216539_100000210682 [0,1,0,1,0,0|2,0,0]=4 8286 B18R1.10471 CC(C)CCCCCOCCCN1CCCC1=O 7a_100011216539_100000210682 [0,1,0,1,0,0|2,0,0]=4 8287 B18R1.10603 CC(=O)CCCCCCCCOC1CCCCO1 1458a_100000070787_200009814348 [0,1,0,1,0,0|2,0,0]=4 8288 B18R1.10603 CC(=O)CCCCNCCCOC1CCCCC1 34a_100000205933_100009817362 [0,1,0,1,0,0|2,0,0]=4 8289 B18R1.10603 CC(=O)CCCCOCCCCC1CCCCC1 34a_100011215267_100009817362 [0,1,0,1,0,0|1,0,0]=3 8290 B18R1.10603 CC(=O)CCCCOCCCCC1CCCCC1 7a_100011215267_100000735457 [0,1,0,1,0,0|1,0,0]=3 8291 B18R1.10603 CC(=O)CCCCOCCCCC1CCNCC1 34a_100016989291_100009817362 [0,1,0,1,0,0|2,0,0]=4 8292 B18R1.10603 CC(=O)CCCOCCCCCN1CCCCC1 34a_100011216611_100000685027 [0,1,0,1,0,0|2,0,0]=4 8293 B18R1.10603 CC(=O)CCCOCCCCCN1CCCCC1 7a_100011216611_100011215641 [0,1,0,1,0,0|2,0,0]=4 8294 B18R1.10603 CC(=O)NCCCCCCNCC1CCCCC1 2230a_200011996284_100000211423 [0,1,0,1,0,0|2,0,0]=4 8295 B18R1.10603 CC(=O)NCCCCCCNCC1CCCCC1 269862a_200011996284_100000211278 [0,1,0,1,0,0|2,0,0]=4 8296 B18R1.10603 CC(=O)NCCCCCCNCC1CCCCC1 34a_200011996284_100000211423 [0,1,0,1,0,0|2,0,0]=4 8297 B18R1.10603 CC(=O)NCCCCCNCCC1CCCCC1 2230a_200012022750_100012355289 [0,1,0,1,0,0|2,0,0]=4 8298 B18R1.10603 CC(=O)NCCCCCNCCC1CCCCC1 270004a_200012022750_100011713444 [0,1,0,1,0,0|2,0,0]=4 8299 B18R1.10603 CC(=O)NCCCCCNCCC1CCCCC1 34a_200012022750_100011209188 [0,1,0,1,0,0|2,0,0]=4 8300 B18R1.10603 CC(=O)NCCCCNCCCC1CCCCC1 2230a_200011368371_100011713725 [0,1,0,1,0,0|2,0,0]=4 8301 B18R1.10603 CC(=O)NCCCCNCCCC1CCCCC1 34a_200011368371_100011713725 [0,1,0,1,0,0|2,0,0]=4 8302 B18R1.10603 CC(=O)OCCCCCNCCC1CCCCC1 2230a_100000738074_100009813381 [0,1,0,1,0,0|2,0,0]=4 8303 B18R1.10603 CC(=O)OCCCCCNCCC1CCCCC1 34a_100000738074_100000033007 [0,1,0,1,0,0|2,0,0]=4 8304 B18R1.10603 CC(=O)OCCCCCOCCC1CCCCC1 34a_100011217863_100000033007 [0,1,0,1,0,0|2,0,0]=4 8305 B18R1.10603 CC(=O)OCCCCCOCCC1CCCCC1 7a_100011217863_100000033007 [0,1,0,1,0,0|2,0,0]=4 8306 B18R1.10603 CC(=O)OCCCCCSCCC1CCCCC1 62a_100000033007_100012355289 [0,1,0,1,0,0|2,0,0]=4 8307 B18R1.10603 CC(=O)OCCCCCSCCC1CCCCC1 62a_100012355289_100000033007 [0,1,0,1,0,0|2,0,0]=4 8308 B18R1.10603 CC(=O)OCCCCNCCCC1CCCCC1 34a_100011211642_100000033659 [0,1,0,1,0,0|2,0,0]=4 8309 B18R1.10603 CC(=O)OCCCCOCCCC1CCCCC1 34a_100000073216_100011713725 [0,1,0,1,0,0|2,0,0]=4 8310 B18R1.10603 CC(=O)OCCCCOCCCC1CCCCC1 34a_100000198086_100000033659 [0,1,0,1,0,0|2,0,0]=4 8311 B18R1.10603 CC(=O)OCCCCOCCCC1CCCCC1 7a_100000073216_100011713725 [0,1,0,1,0,0|2,0,0]=4 8312 B18R1.10603 CC(=O)OCCCCOCCCC1CCCCC1 7a_100000198086_100000033659 [0,1,0,1,0,0|2,0,0]=4 8313 B18R1.10603 CC(=O)OCCCCSCCCC1CCCCC1 62a_100000033659_100011713725 [0,1,0,1,0,0|2,0,0]=4 8314 B18R1.10603 CC(=O)OCCCCSCCCC1CCCCC1 62a_100011713725_100000033659 [0,1,0,1,0,0|2,0,0]=4 8315 B18R1.10603 CC(=O)OCCCOCCCCC1CCCCC1 34a_100011215267_100000042594 [0,1,0,1,0,0|2,0,0]=4 8316 B18R1.10603 CC(=O)OCCCOCCCCC1CCCCC1 7a_100011215267_100000042594 [0,1,0,1,0,0|2,0,0]=4 8317 B18R1.10603 CC(=O)SCCCCCCNCC1CCCCC1 269862a_100000704104_100000211278 [0,1,0,1,0,0|2,0,0]=4 8318 B18R1.10603 CC(=O)SCCCCNCCCC1CCCCC1 2230a_100011211642_200010402107 [0,1,0,1,0,0|2,0,0]=4 8319 B18R1.10603 CC(=O)SCCCCNCCCC1CCCCC1 34a_100011211642_200010402107 [0,1,0,1,0,0|2,0,0]=4 8320 B18R1.10603 CC(=O)SCCCCOCCCC1CCCCC1 34a_100000198086_200010402107 [0,1,0,1,0,0|2,0,0]=4 8321 B18R1.10603 CC(=O)SCCCCOCCCC1CCCCC1 7a_100000198086_200010402107 [0,1,0,1,0,0|2,0,0]=4 8322 B18R1.10603 CC(=O)SCCCOCCCCC1CCCCC1 34a_100011215267_100000038929 [0,1,0,1,0,0|2,0,0]=4 8323 B18R1.10603 CC(=O)SCCCOCCCCC1CCCCC1 7a_100011215267_100000038929 [0,1,0,1,0,0|2,0,0]=4 8324 B18R1.10603 NC(=O)CCCCCNCCCC1CCCCC1 2230a_100011211642_100009817443 [0,1,0,1,0,0|1,0,0]=3 8325 B18R1.10603 NC(=O)CCCCCNCCCC1CCCCC1 34a_100011211642_100009817443 [0,1,0,1,0,0|1,0,0]=3 8326 B18R1.10603 NC(=O)CCCCCNCCOC1CCCCC1 34a_100015206981_100009817443 [0,1,0,1,0,0|2,0,0]=4 8327 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 34a_100000123541_100011713725 [0,1,0,1,0,0|1,0,0]=3 8328 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 34a_100000198086_100009817443 [0,1,0,1,0,0|1,0,0]=3 8329 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 7a_100000123541_100011713725 [0,1,0,1,0,0|1,0,0]=3 8330 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCC1 7a_100000198086_100009817443 [0,1,0,1,0,0|1,0,0]=3 8331 B18R1.10603 NC(=O)CCCCCOCCCC1CCCCN1 34a_100011934581_100009817443 [0,1,0,1,0,0|2,0,0]=4 8332 B18R1.10603 NC(=O)CCCCCOCCCC1CCCNC1 34a_100150707839_100009817443 [0,1,0,1,0,0|2,0,0]=4 8333 B18R1.10603 NC(=O)CCCCCOCCCC1CCNCC1 34a_100016988962_100009817443 [0,1,0,1,0,0|2,0,0]=4 8334 B18R1.10603 NC(=O)CCCCCOCCCN1CCCCC1 34a_100000123541_100000690320 [0,1,0,1,0,0|2,0,0]=4 8335 B18R1.10603 NC(=O)CCCCCOCCCN1CCCCC1 34a_100000212458_100009817443 [0,1,0,1,0,0|2,0,0]=4 8336 B18R1.10603 NC(=O)CCCCCOCCCN1CCCCC1 7a_100000123541_100000007876 [0,1,0,1,0,0|2,0,0]=4 8337 B18R1.10603 NC(=O)CCCCCOCCNC1CCCCC1 34a_100000200466_100009817443 [0,1,0,1,0,0|2,0,0]=4 8338 B18R1.10603 NC(=O)CCCCCOCCOC1CCCCC1 34a_100000123541_100011211530 [0,1,0,1,0,0|2,0,0]=4 8339 B18R1.10603 NC(=O)CCCCCOCCOC1CCCCC1 34a_100011249652_100009817443 [0,1,0,1,0,0|2,0,0]=4 8340 B18R1.10603 NC(=O)CCCCCOCCOC1CCCCC1 7a_100000123541_100011211530 [0,1,0,1,0,0|2,0,0]=4 8341 B18R1.10603 NC(=O)CCCCCOCCOC1CCCCC1 7a_100011249652_100009817443 [0,1,0,1,0,0|2,0,0]=4 8342 B18R1.10603 NC(=O)CCCCCSCCCC1CCCCC1 62a_100009817443_100011713725 [0,1,0,1,0,0|1,0,0]=3 8343 B18R1.10603 NC(=O)CCCCCSCCCC1CCCCC1 62a_100011713725_100009817443 [0,1,0,1,0,0|1,0,0]=3 8344 B18R1.10603 NC(=O)CCCCCSCCCN1CCCCC1 62a_100009817443_100000007876 [0,1,0,1,0,0|2,0,0]=4 8345 B18R1.10603 NC(=O)CCCCCSCCCN1CCCCC1 62a_100132302099_100009817443 [0,1,0,1,0,0|2,0,0]=4 8346 B18R1.10603 NC(=O)CCCCCSCCOC1CCCCC1 62a_100009817443_100011211530 [0,1,0,1,0,0|2,0,0]=4 8347 B18R1.10603 NC(=O)CCCCCSCCOC1CCCCC1 62a_100011211530_100009817443 [0,1,0,1,0,0|2,0,0]=4 8348 B18R1.10603 NC(=O)CCCOCCCCCN1CCCCC1 34a_100011216611_100102525003 [0,1,0,1,0,0|2,0,0]=4 8349 B18R1.10603 NC(=O)CCCOCCCCCN1CCCCC1 7a_100011216611_100102525003 [0,1,0,1,0,0|2,0,0]=4 8350 B18R1.10603 NC(=O)COCCOCCCCC1CCCCC1 34a_100011215267_100000076697 [0,1,0,1,0,0|2,0,0]=4 8351 B18R1.10603 NC(=O)COCCOCCCCC1CCCCC1 7a_100011215267_100000076697 [0,1,0,1,0,0|2,0,0]=4 8352 B18R1.10603 O=C([O-])CCCCCOCCCC1CCCCC1 7a_100102619762_100011713725 [0,1,0,1,0,0|1,0,0]=3 8353 B18R1.10603 O=C([O-])CCCCCOCCCN1CCCCC1 7a_100102619762_100000007876 [0,1,0,1,0,0|2,0,0]=4 8354 B18R1.10603 O=C([O-])CCCCCOCCOC1CCCCC1 7a_100102619762_100011211530 [0,1,0,1,0,0|2,0,0]=4 8355 B18R1.13035 C#CCCCCCCCCCCOCCC1CC1 34a_100000054667_100000694398 [0,1,0,1,0,0|1,0,1]=4 8356 B18R1.13035 C#CCCCCCCCCCCOCCC1CC1 7a_100000054667_100000764125 [0,1,0,1,0,0|1,0,1]=4 8357 B18R1.13035 C=CCCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_102130925996 [0,1,0,1,0,0|2,0,0]=4 8358 B18R1.13035 C=CCCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100011093070 [0,1,0,1,0,0|2,0,0]=4 8359 B18R1.13035 C=CCCCCCCCCCNCCCC1CO1 2230a_100000081888_100000733510 [0,1,0,1,0,0|2,0,0]=4 8360 B18R1.13035 C=CCCCCCCCCCNCCCC1CO1 34a_100000081888_100000733510 [0,1,0,1,0,0|2,0,0]=4 8361 B18R1.13035 C=CCCCCCCCCCOCCCC1CO1 34a_100000038209_100000733510 [0,1,0,1,0,0|2,0,0]=4 8362 B18R1.13035 C=CCCCCCCCCCOCCCC1CO1 7a_100000038209_100000733510 [0,1,0,1,0,0|2,0,0]=4 8363 B18R1.13035 C=CCCCCCCCCCOCCNC1CC1 34a_100000738766_100009814027 [0,1,0,1,0,0|2,0,0]=4 8364 B18R1.13035 CCCCCCCCCCCCCNCC1CO1 2230a_100011215765_100011216344 [0,1,0,1,0,0|0,0,2]=4 8365 B18R1.13035 CCCCCCCCCCCCCNCC1CO1 34a_100011215765_102125554688 [0,1,0,1,0,0|0,0,2]=4 8366 B18R1.13035 CCCCCCCCCCCCCOCC1CO1 34a_100000185773_102125554688 [0,1,0,1,0,0|0,0,2]=4 8367 B18R1.13035 CCCCCCCCCCCCCOCC1CO1 7a_100000185773_102125554688 [0,1,0,1,0,0|0,0,2]=4 8368 B18R1.13035 CCCCCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210684 [0,1,0,1,0,0|0,0,2]=4 8369 B18R1.13035 CCCCCCCCCCCCCOC[C@@H]1CO1 7a_100000185773_100000745022 [0,1,0,1,0,0|0,0,2]=4 8370 B18R1.13035 CCCCCCCCCCCCNCCC1CO1 2230a_100000210451_100000732470 [0,1,0,1,0,0|0,0,2]=4 8371 B18R1.13035 CCCCCCCCCCCCNCCC1CO1 34a_100000210451_100000732470 [0,1,0,1,0,0|0,0,2]=4 8372 B18R1.13035 CCCCCCCCCCCCOCCC1CO1 34a_100000210810_100000732470 [0,1,0,1,0,0|0,0,2]=4 8373 B18R1.13035 CCCCCCCCCCCCOCCC1CO1 7a_100000210810_100000732470 [0,1,0,1,0,0|0,0,2]=4 8374 B18R1.13035 CCCCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000759014 [0,1,0,1,0,0|0,0,2]=4 8375 B18R1.13035 CCCCCCCCCCCNCCCC1CO1 2230a_200011215754_100000733510 [0,1,0,1,0,0|0,0,2]=4 8376 B18R1.13035 CCCCCCCCCCCNCCCC1CO1 34a_200011215754_100000733510 [0,1,0,1,0,0|0,0,2]=4 8377 B18R1.13035 CCCCCCCCCCCOCCCC1CO1 34a_100000210809_100000733510 [0,1,0,1,0,0|0,0,2]=4 8378 B18R1.13035 CCCCCCCCCCCOCCCC1CO1 7a_100000210809_100000733510 [0,1,0,1,0,0|0,0,2]=4 8379 B18R1.13035 NCCCCCCCCCCCCOCC1CC1 34a_100000066677_100000742324 [0,1,0,1,0,0|1,0,1]=4 8380 B18R1.13035 OCCCCCCCCCCCCCNC1CC1 34a_100000212008_100009812470 [0,1,0,1,0,0|0,0,2]=4 8381 B18R1.13035 OCCCCCCCCCCCCNCC1CC1 2230a_100000066677_100000742324 [0,1,0,1,0,0|0,0,2]=4 8382 B18R1.13035 OCCCCCCCCCCCCNCC1CC1 2230a_100000735609_100009813331 [0,1,0,1,0,0|0,0,2]=4 8383 B18R1.13035 OCCCCCCCCCCCCNCC1CC1 269862a_100000066677_100000741477 [0,1,0,1,0,0|0,0,2]=4 8384 B18R1.13035 OCCCCCCCCCCCCNCC1CC1 34a_100000066677_100000742324 [0,1,0,1,0,0|0,0,2]=4 8385 B18R1.13035 OCCCCCCCCCCCCNCC1CC1 34a_100000735609_100009813331 [0,1,0,1,0,0|0,0,2]=4 8386 B18R1.13035 OCCCCCCCCCCCCOCC1CC1 34a_100000211283_100009813331 [0,1,0,1,0,0|0,0,2]=4 8387 B18R1.13035 OCCCCCCCCCCCNCCC1CC1 34a_100000764129_100009812471 [0,1,0,1,0,0|0,0,2]=4 8388 B18R1.13035 OCCCCCCCCCCCOCCC1CC1 34a_100000754188_100009812471 [0,1,0,1,0,0|0,0,2]=4 8389 B18R1.13035 OCCCCCCCCCCCOCCC1CC1 7a_100000754188_100009812471 [0,1,0,1,0,0|0,0,2]=4 8390 B18R1.13145 CCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011215454 [0,1,0,1,0,0|1,0,0]=3 8391 B18R1.13145 O=C(O)C1CCN1CCCCCCCCCCO 269956a_100000021838_100009813290 [0,1,0,1,0,0|2,0,0]=4 8392 B18R1.13830 NC(=O)CCCCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200010167045 [0,1,0,1,0,0|2,0,0]=4 8393 B18R1.13830 NC(=O)CCCCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_200010167045 [0,1,0,1,0,0|2,0,0]=4 8394 B18R1.13830 NC(=O)CCCCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_200010167045 [0,1,0,1,0,0|2,0,0]=4 8395 B18R1.13993 CC(=O)CCCCNCCCN1CCCCC1C 34a_100000212276_100009817362 [0,1,0,1,0,0|2,0,0]=4 8396 B18R1.13993 CC(=O)CCCCOCCCN1CCCCC1C 34a_100000213889_100009817362 [0,1,0,1,0,0|2,0,0]=4 8397 B18R1.13993 CC(=O)CCCCOCCCN1CCCCC1C 7a_100000213889_100000735457 [0,1,0,1,0,0|2,0,0]=4 8398 B18R1.13993 CC(=O)NCCCCCCNC1CCCCC1C 269862a_200011996284_100000210921 [0,1,0,1,0,0|2,0,0]=4 8399 B18R1.13993 CC(=O)NCCCCCCNC1CCCCC1C 270004a_200011996284_100000210921 [0,1,0,1,0,0|2,0,0]=4 8400 B18R1.13993 CC(=O)SCCCCCCNC1CCCCC1C 269862a_100000704104_100000210921 [0,1,0,1,0,0|2,0,0]=4 8401 B18R1.13993 CC(=O)SCCCCCCNC1CCCCC1C 270004a_100000704104_100000210921 [0,1,0,1,0,0|2,0,0]=4 8402 B18R1.13993 CC(C)CCCCCCCOC1CCCCC1=O 34a_200000210741_100000754470 [0,1,0,1,0,0|1,0,0]=3 8403 B18R1.13993 CC(C)CCCCCCCOC1CCCCC1=O 7a_200000210741_100000204591 [0,1,0,1,0,0|1,0,0]=3 8404 B18R1.13993 CC(C)CCCCCCCOC1CCCNC1=O 34a_200000210741_100000687798 [0,1,0,1,0,0|2,0,0]=4 8405 B18R1.13993 CC(C)CCCCCCCOC1CCCNC1=O 7a_200000210741_100000687798 [0,1,0,1,0,0|2,0,0]=4 8406 B18R1.13993 CC(C)CCCCCCCOC1COCCC1=O 34a_200000210741_100012180262 [0,1,0,1,0,0|2,0,0]=4 8407 B18R1.13993 CC(C)CCCCCCCOC1COCCC1=O 7a_200000210741_100012180262 [0,1,0,1,0,0|2,0,0]=4 8408 B18R1.13993 CC(C)CCCCCNCCN1CCCCC1=O 2230a_100160573077_100000210682 [0,1,0,1,0,0|2,0,0]=4 8409 B18R1.13993 CC(C)CCCCCNCCN1CCCCC1=O 34a_100160573077_100000210682 [0,1,0,1,0,0|2,0,0]=4 8410 B18R1.13993 CC1CCCCN1CCNCCCCCC(=O)N 2230a_100000739827_100009817443 [0,1,0,1,0,0|2,0,0]=4 8411 B18R1.13993 CC1CCCCN1CCNCCCCCC(=O)N 34a_100000739827_100009817443 [0,1,0,1,0,0|2,0,0]=4 8412 B18R1.13993 CC1CCCCN1CCOCCCCCC(=O)N 34a_100011305533_100009817443 [0,1,0,1,0,0|2,0,0]=4 8413 B18R1.13993 CN1CCCCC1CCOCCCCCC(=O)N 34a_100000123541_100000211948 [0,1,0,1,0,0|2,0,0]=4 8414 B18R1.13993 CN1CCCCC1CCOCCCCCC(=O)N 7a_100000123541_100000211948 [0,1,0,1,0,0|2,0,0]=4 8415 B18R1.13993 CN1CCCCC1CCOCCCCCC(=O)[O-] 7a_100102619762_100000211948 [0,1,0,1,0,0|2,0,0]=4 8416 B18R1.13993 CN1CCCCC1CCSCCCCCC(=O)N 62a_100000211948_100009817443 [0,1,0,1,0,0|2,0,0]=4 8417 B18R1.13993 CN1CCCCC1CCSCCCCCC(=O)N 62a_100009817443_100000211948 [0,1,0,1,0,0|2,0,0]=4 8418 B18R1.17255 C=C(C)COC1CCCCCCCCCCC1=O 34a_100000210245_200009990614 [0,1,0,1,0,0|1,0,1]=4 8419 B18R1.17255 CC(=O)COC1CCCCCCCCCCC1=O 34a_100000211253_200009990614 [0,1,0,1,0,0|1,0,1]=4 8420 B18R1.17255 CC(Br)COC1CCCCCCCCCCC1=O 34a_100012180447_200009990614 [0,1,0,1,0,0|1,0,0]=3 8421 B18R1.17255 CC(C)CNC1CCCCCCCCCCC1=O 2230a_100000210953_200009990614 [0,1,0,1,0,0|1,0,0]=3 8422 B18R1.17255 CC(C)CNC1CCCCCCCCCCC1=O 34a_100000210953_200009990614 [0,1,0,1,0,0|1,0,0]=3 8423 B18R1.17255 CC(C)COC1CCCCCCCCCCC1=O 34a_100000210257_200009990614 [0,1,0,1,0,0|1,0,0]=3 8424 B18R1.17255 CC(F)COC1CCCCCCCCCCC1=O 34a_100015925927_200009990614 [0,1,0,1,0,0|1,0,0]=3 8425 B18R1.17255 CC(O)CNC1CCCCCCCCCCC1=O 2230a_100000210904_200009990614 [0,1,0,1,0,0|1,0,0]=3 8426 B18R1.17255 CC(O)CNC1CCCCCCCCCCC1=O 34a_100000210904_200009990614 [0,1,0,1,0,0|1,0,0]=3 8427 B18R1.17255 CC(O)CSC1CCCCCCCCCCC1=O 62a_100011218427_200009990614 [0,1,0,1,0,0|1,0,0]=3 8428 B18R1.17255 CC(O)CSC1CCCCCCCCCCC1=O 62a_200009990614_100011218427 [0,1,0,1,0,0|1,0,0]=3 8429 B18R1.17255 C[C@@H](Cl)COC1CCCCCCCCCCC1=O 34a_100016084084_200009990614 [0,1,0,1,0,0|1,0,0]=3 8430 B18R1.17255 C[C@@H](N)COC1CCCCCCCCCCC1=O 34a_100000737577_200009990614 [0,1,0,1,0,0|1,0,0]=3 8431 B18R1.17255 C[C@@H](O)CSC1CCCCCCCCCCC1=O 62a_100009817552_200009990614 [0,1,0,1,0,0|1,0,0]=3 8432 B18R1.17255 C[C@@H](O)CSC1CCCCCCCCCCC1=O 62a_200009990614_100009817552 [0,1,0,1,0,0|1,0,0]=3 8433 B18R1.17255 O=C1CCCCCCCCCCC1NCC(F)F 34a_100000765723_200009990614 [0,1,0,1,0,0|2,0,0]=4 8434 B18R1.17255 O=C1CCCCCCCCCCC1OCC(F)F 34a_100000743014_200009990614 [0,1,0,1,0,0|2,0,0]=4 8435 B18R1.17255 O=C1CCCCCCCCCCC1SCC(F)F 62a_100011934356_200009990614 [0,1,0,1,0,0|2,0,0]=4 8436 B18R1.17255 O=C1CCCCCCCCCCC1SCC(F)F 62a_200009990614_100011934356 [0,1,0,1,0,0|2,0,0]=4 8437 B18R1.17819 CC(C)CCCCCCCOCCC1CCC1=O 7a_200000210741_200016118888 [0,1,0,1,0,0|1,0,0]=3 8438 B18R1.17819 CC1CCN1CCCCCCCCCCC(=O)N 269982a_100000755817_200010167045 [0,1,0,1,0,0|1,0,0]=3 8439 B18R1.17819 CC1CCN1CCCCCCCCCCC(=O)N 34a_100000755817_200010167045 [0,1,0,1,0,0|1,0,0]=3 8440 B18R1.20697 CC(=O)NCCCCCCNCCC1CCCC1 2230a_200011996284_100000760354 [0,1,0,1,0,0|2,0,0]=4 8441 B18R1.20697 CC(=O)NCCCCCCNCCC1CCCC1 34a_200011996284_100000760354 [0,1,0,1,0,0|2,0,0]=4 8442 B18R1.20697 CC(=O)NCCCCCNCCCC1CCCC1 2230a_200012022750_100011713738 [0,1,0,1,0,0|2,0,0]=4 8443 B18R1.20697 CC(=O)NCCCCCNCCCC1CCCC1 34a_200012022750_100011713738 [0,1,0,1,0,0|2,0,0]=4 8444 B18R1.20697 CC(=O)OCCCCCNCCCC1CCCC1 2230a_100000736752_100009813381 [0,1,0,1,0,0|2,0,0]=4 8445 B18R1.20697 CC(=O)OCCCCCNCCCC1CCCC1 34a_100000736752_100000033007 [0,1,0,1,0,0|2,0,0]=4 8446 B18R1.20697 CC(=O)OCCCCCOCCCC1CCCC1 34a_100011215328_100000033007 [0,1,0,1,0,0|2,0,0]=4 8447 B18R1.20697 CC(=O)OCCCCCOCCCC1CCCC1 7a_100011215328_100000033007 [0,1,0,1,0,0|2,0,0]=4 8448 B18R1.20697 CC(=O)OCCCCCSCCCC1CCCC1 62a_100000033007_100011713738 [0,1,0,1,0,0|2,0,0]=4 8449 B18R1.20697 CC(=O)OCCCCCSCCCC1CCCC1 62a_100011713738_100000033007 [0,1,0,1,0,0|2,0,0]=4 8450 B18R1.20697 NC(=O)CCCCCCCCCCN1CCCC1 2230a_100000188435_200010167045 [0,1,0,1,0,0|1,0,0]=3 8451 B18R1.20697 NC(=O)CCCCCCCCCCN1CCCC1 269982a_100000188435_200010167045 [0,1,0,1,0,0|1,0,0]=3 8452 B18R1.20697 NC(=O)CCCCCCCCCCN1CCSC1 2230a_100011215254_200010167045 [0,1,0,1,0,0|2,0,0]=4 8453 B18R1.20697 NC(=O)CCCCCCCCCCN1CCSC1 269982a_100011215254_200010167045 [0,1,0,1,0,0|2,0,0]=4 8454 B18R1.20697 NC(=O)CCCCCNCCCOC1CCCC1 34a_100000747560_100009817443 [0,1,0,1,0,0|2,0,0]=4 8455 B18R1.20745 NC(=O)CCCCCCCCCCNCC1CC1 2230a_100000735609_200010167045 [0,1,0,1,0,0|1,0,0]=3 8456 B18R1.20745 NC(=O)CCCCCCCCCCNCC1CC1 34a_100000735609_200010167045 [0,1,0,1,0,0|1,0,0]=3 8457 B18R1.20745 NC(=O)CCCCCCCCCCOCC1CC1 34a_100000211283_200010167045 [0,1,0,1,0,0|1,0,0]=3 8458 B18R1.20745 NC(=O)CCCCCCCCCCOC[C@@H]1CO1 34a_100000757423_200010167045 [0,1,0,1,0,0|2,0,0]=4 8459 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CC1 62a_100000756562_200010167045 [0,1,0,1,0,0|1,0,0]=3 8460 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CC1 62a_200010167045_100000742324 [0,1,0,1,0,0|1,0,0]=3 8461 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CO1 62a_102125554688_200010167045 [0,1,0,1,0,0|2,0,0]=4 8462 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CO1 62a_200010167045_102125554688 [0,1,0,1,0,0|2,0,0]=4 8463 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CS1 62a_100000031435_200010167045 [0,1,0,1,0,0|2,0,0]=4 8464 B18R1.20745 NC(=O)CCCCCCCCCCSCC1CS1 62a_200010167045_100000031435 [0,1,0,1,0,0|2,0,0]=4 8465 B18R1.20745 NC(=O)CCCCCCCCCCSC[C@@H]1CO1 62a_100000745022_200010167045 [0,1,0,1,0,0|2,0,0]=4 8466 B18R1.20745 NC(=O)CCCCCCCCCCSC[C@@H]1CO1 62a_200010167045_100000745022 [0,1,0,1,0,0|2,0,0]=4 8467 B18R1.21165 CC(=O)CCOC1CCCCCCCCCCC1 7a_100000211378_100000053229 [0,1,0,1,0,0|1,0,0]=3 8468 B18R1.21165 CC(=O)OCNC1CCCCCCCCCCC1 34a_100011194316_100009813279 [0,1,0,1,0,0|2,0,0]=4 8469 B18R1.21165 CC(=O)OCOC1CCCCCCCCCCC1 34a_100000211378_100009813279 [0,1,0,1,0,0|2,0,0]=4 8470 B18R1.21165 NC(=O)CCNC1CCCCCCCCCCC1 2230a_100011194316_100000744528 [0,1,0,1,0,0|1,0,0]=3 8471 B18R1.21165 NC(=O)CCNC1CCCCCCCCCCC1 34a_100011194316_100000731001 [0,1,0,1,0,0|1,0,0]=3 8472 B18R1.21165 NC(=O)CCOC1CCCCCCCCCCC1 34a_100000211378_100000731001 [0,1,0,1,0,0|1,0,0]=3 8473 B18R1.21165 NC(=O)CCOC1CCCCCCCCCCC1 7a_100000211378_100000744528 [0,1,0,1,0,0|1,0,0]=3 8474 B18R1.21181 NC(=O)CCCCCCCCCCNC1CCC1 2230a_100000749019_200010167045 [0,1,0,1,0,0|1,0,0]=3 8475 B18R1.21181 NC(=O)CCCCCCCCCCNC1CCC1 34a_100000749019_200010167045 [0,1,0,1,0,0|1,0,0]=3 8476 B18R1.21181 NC(=O)CCCCCCCCCCNC1COC1 2230a_100016991112_200010167045 [0,1,0,1,0,0|2,0,0]=4 8477 B18R1.21181 NC(=O)CCCCCCCCCCOC1CCC1 34a_100000748187_200010167045 [0,1,0,1,0,0|1,0,0]=3 8478 B18R1.21181 NC(=O)CCCCCCCCCCOC1CSC1 7a_100000072292_200010167045 [0,1,0,1,0,0|2,0,0]=4 8479 B18R1.21181 NC(=O)CCCCCCCCCCSC1CCC1 62a_200010167045_100000749161 [0,1,0,1,0,0|1,0,0]=3 8480 B18R1.21181 NC(=O)CCCCCCCCCCSC1COC1 62a_200010167045_100009818527 [0,1,0,1,0,0|2,0,0]=4 8481 B18R1.21929 CCCCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210320 [0,1,0,1,0,0|1,0,0]=3 8482 B18R1.21929 CCCCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210320 [0,1,0,1,0,0|1,0,0]=3 8483 B18R1.21929 CCCCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210320 [0,1,0,1,0,0|2,0,0]=4 8484 B18R1.21929 CCCCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210320 [0,1,0,1,0,0|2,0,0]=4 8485 B18R1.21929 CCCCCCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210759 [0,1,0,1,0,0|2,0,0]=4 8486 B18R1.21929 CCCCCCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210759 [0,1,0,1,0,0|2,0,0]=4 8487 B18R1.21929 CCCCCCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210759 [0,1,0,1,0,0|2,0,0]=4 8488 B18R1.21929 CCCCCCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210759 [0,1,0,1,0,0|2,0,0]=4 8489 B18R1.21929 NC(=O)[C@@H]1CCCN1CCCCCCCCCO 2230a_100000003125_100009813782 [0,1,0,1,0,0|2,0,0]=4 8490 B18R1.21929 O=C(O)[C@@H]1CCCN1CCCCCCCCCO 269956a_100000743916_100009813782 [0,1,0,1,0,0|2,0,0]=4 8491 B18R1.22565 CCCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210759 [0,1,0,1,0,0|1,0,0]=3 8492 B18R1.22565 COCCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100011998445 [0,1,0,1,0,0|2,0,0]=4 8493 B18R1.22565 O=C(O)C1CCCCCN1CCCCCCCO 269956a_100000758484_100000760002 [0,1,0,1,0,0|2,0,0]=4 8494 B18R1.35001 C=CCCCCCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011933949 [0,1,0,1,0,0|2,0,0]=4 8495 B18R1.35001 C=CCCCCCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100011933949 [0,1,0,1,0,0|2,0,0]=4 8496 B18R1.36057 CCCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210757 [0,1,0,1,0,0|1,0,0]=3 8497 B18R1.36057 CCCCOCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011995733 [0,1,0,1,0,0|2,0,0]=4 8498 B18R1.36057 CCCOCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100011215938 [0,1,0,1,0,0|2,0,0]=4 8499 B18R1.36057 CCOCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100012232248 [0,1,0,1,0,0|2,0,0]=4 8500 B18R1.36057 COCCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000730899 [0,1,0,1,0,0|2,0,0]=4 8501 B18R1.36057 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCCF 269956a_200049070474_100000729378 [0,1,0,1,0,0|2,0,0]=4 8502 B18R1.36057 O=C(O)[C@H]1CCCCCC[C@H]1NCCCCCO 269956a_200049070474_100000746330 [0,1,0,1,0,0|2,0,0]=4 8503 B18R1.36890 CC(=O)NCCCCNC1CCCCCCCC1 270004a_200011368371_100000038600 [0,1,0,1,0,0|2,0,0]=4 8504 B18R1.36890 CC(=O)OCCCCCN1CCCCCCCC1 2230a_100000039187_100009813381 [0,1,0,1,0,0|2,0,0]=4 8505 B18R1.36890 CC(=O)OCCCCCN1CCCCCCCC1 269982a_100000039187_100000033007 [0,1,0,1,0,0|2,0,0]=4 8506 B18R1.36890 CC(=O)OCCCCCN1CCCCCCCC1 34a_100000039187_100000033007 [0,1,0,1,0,0|2,0,0]=4 8507 B18R1.38081 CCC1CCCC1NCCCCCCNC(=O)C 269862a_200011996284_100000749056 [0,1,0,1,0,0|2,0,0]=4 8508 B18R1.38081 CCC1CCCC1NCCCCCCNC(=O)C 270004a_200011996284_100000749056 [0,1,0,1,0,0|2,0,0]=4 8509 B18R1.38081 CCC1CCCC1NCCCCCCSC(=O)C 269862a_100000704104_100000749056 [0,1,0,1,0,0|2,0,0]=4 8510 B18R1.38081 CCC1CCCC1NCCCCCCSC(=O)C 270004a_100000704104_100000749056 [0,1,0,1,0,0|2,0,0]=4 8511 B18R1.40541 C=CCCCCCCCCN1CCCCC(C1)O 2230a_100025706797_100011933949 [0,1,0,1,0,0|2,0,0]=4 8512 B18R1.40541 C=CCCCCCCCCN1CCCCC(C1)O 269982a_100025706797_100011933949 [0,1,0,1,0,0|2,0,0]=4 8513 B18R1.40541 CCCCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210320 [0,1,0,1,0,0|2,0,0]=4 8514 B18R1.174647 CC(=O)CCCCNCCC1CCCCCCC1 34a_100011532352_100009817362 [0,1,0,1,0,0|1,0,0]=3 8515 B18R1.174647 CC(=O)NCCCCCNC1CCCCCCC1 270004a_200012022750_100000210524 [0,1,0,1,0,0|2,0,0]=4 8516 B18R1.174647 CC(=O)OCCCCCNC1CCCCCCC1 2230a_100000211152_100009813381 [0,1,0,1,0,0|2,0,0]=4 8517 B18R1.174647 CC(=O)OCCCCCNC1CCCCCCC1 34a_100000211152_100000033007 [0,1,0,1,0,0|2,0,0]=4 8518 B18R1.174647 CC(=O)OCCCCCOC1CCCCCCC1 34a_100000210054_100000033007 [0,1,0,1,0,0|2,0,0]=4 8519 B18R1.174647 CC(=O)OCCCCCOC1CCCCCCC1 7a_100000210054_100000033007 [0,1,0,1,0,0|2,0,0]=4 8520 B18R1.174647 CC(=O)OCCCCOCC1CCCCCCC1 34a_100011216312_100000033659 [0,1,0,1,0,0|2,0,0]=4 8521 B18R1.174647 CC(=O)OCCCCOCC1CCCCCCC1 7a_100011216312_100000033659 [0,1,0,1,0,0|2,0,0]=4 8522 B18R1.174647 CC(=O)OCCCNCCC1CCCCCCC1 34a_100011532352_100000042594 [0,1,0,1,0,0|2,0,0]=4 8523 B18R1.174647 CC(=O)SCCCCOCC1CCCCCCC1 34a_100011216312_200010402107 [0,1,0,1,0,0|2,0,0]=4 8524 B18R1.174647 CC(=O)SCCCCOCC1CCCCCCC1 7a_100011216312_200010402107 [0,1,0,1,0,0|2,0,0]=4 8525 B18R1.174647 CC(=O)SCCCNCCC1CCCCCCC1 2230a_100011532352_100000038929 [0,1,0,1,0,0|2,0,0]=4 8526 B18R1.174647 CC(=O)SCCCNCCC1CCCCCCC1 34a_100011532352_100000038929 [0,1,0,1,0,0|2,0,0]=4 8527 B18R1.174647 NC(=O)CCCCCOCC1CCCCCCC1 34a_100011216312_100009817443 [0,1,0,1,0,0|1,0,0]=3 8528 B18R1.174647 NC(=O)CCCCCOCC1CCCCCCC1 7a_100011216312_100009817443 [0,1,0,1,0,0|1,0,0]=3 8529 B18R1.174647 NC(=O)COCCNCCC1CCCCCCC1 2230a_100011532352_100000076697 [0,1,0,1,0,0|2,0,0]=4 8530 B18R1.174647 NC(=O)COCCNCCC1CCCCCCC1 34a_100011532352_100000076697 [0,1,0,1,0,0|2,0,0]=4 8531 B18R1.175218 CC(=O)CCCCOCCCN1CCCCCC1 34a_100102886287_100009817362 [0,1,0,1,0,0|2,0,0]=4 8532 B18R1.175218 CC(=O)CCCCOCCCN1CCCCCC1 7a_100102886287_100000735457 [0,1,0,1,0,0|2,0,0]=4 8533 B18R1.175218 CC(=O)CCCOCCCCN1CCCCCC1 34a_100011305542_100000685027 [0,1,0,1,0,0|2,0,0]=4 8534 B18R1.175218 CC(=O)NCCCCCCNC1CCCCCC1 270004a_200011996284_100000210131 [0,1,0,1,0,0|2,0,0]=4 8535 B18R1.175218 CC(=O)NCCCCCCNC1CCCCCC1 34a_200011996284_100011217769 [0,1,0,1,0,0|2,0,0]=4 8536 B18R1.175218 CC(=O)NCCCCCNCC1CCCCCC1 2230a_200012022750_200000696569 [0,1,0,1,0,0|2,0,0]=4 8537 B18R1.175218 CC(=O)NCCCCCNCC1CCCCCC1 269862a_200012022750_200000763224 [0,1,0,1,0,0|2,0,0]=4 8538 B18R1.175218 CC(=O)NCCCCCNCC1CCCCCC1 34a_200012022750_200000696569 [0,1,0,1,0,0|2,0,0]=4 8539 B18R1.175218 CC(=O)OCCCCCNCC1CCCCCC1 2230a_100015204231_100009813381 [0,1,0,1,0,0|2,0,0]=4 8540 B18R1.175218 CC(=O)OCCCCCNCC1CCCCCC1 34a_100015204231_100000033007 [0,1,0,1,0,0|2,0,0]=4 8541 B18R1.175218 CC(=O)OCCCCCOCC1CCCCCC1 34a_100000699130_100000033007 [0,1,0,1,0,0|2,0,0]=4 8542 B18R1.175218 CC(=O)OCCCCCOCC1CCCCCC1 7a_100000699130_100000033007 [0,1,0,1,0,0|2,0,0]=4 8543 B18R1.175218 CC(=O)OCCCCCSCC1CCCCCC1 62a_100000033007_200000696569 [0,1,0,1,0,0|2,0,0]=4 8544 B18R1.175218 CC(=O)OCCCCCSCC1CCCCCC1 62a_200000696569_100000033007 [0,1,0,1,0,0|2,0,0]=4 8545 B18R1.175218 CC(=O)OCCCCNCCC1CCCCCC1 34a_100011532351_100000033659 [0,1,0,1,0,0|2,0,0]=4 8546 B18R1.175218 CC(=O)SCCCCCCNC1CCCCCC1 270004a_100000704104_100000210131 [0,1,0,1,0,0|2,0,0]=4 8547 B18R1.175218 CC(=O)SCCCCNCCC1CCCCCC1 2230a_100011532351_200010402107 [0,1,0,1,0,0|2,0,0]=4 8548 B18R1.175218 CC(=O)SCCCCNCCC1CCCCCC1 34a_100011532351_200010402107 [0,1,0,1,0,0|2,0,0]=4 8549 B18R1.175218 NC(=O)CCCCCNCCC1CCCCCC1 2230a_100011532351_100009817443 [0,1,0,1,0,0|1,0,0]=3 8550 B18R1.175218 NC(=O)CCCCCNCCC1CCCCCC1 34a_100011532351_100009817443 [0,1,0,1,0,0|1,0,0]=3 8551 B18R1.175218 NC(=O)CCCCCOCCN1CCCCCC1 34a_100000238007_100009817443 [0,1,0,1,0,0|2,0,0]=4 8552 B18R1.175218 NC(=O)CCCCCOCCN1CCCCCC1 7a_100000123541_100000722644 [0,1,0,1,0,0|2,0,0]=4 8553 B18R1.175218 NC(=O)CCCCCSCCN1CCCCCC1 62a_100000722644_100009817443 [0,1,0,1,0,0|2,0,0]=4 8554 B18R1.175218 NC(=O)CCCCCSCCN1CCCCCC1 62a_100009817443_100000722644 [0,1,0,1,0,0|2,0,0]=4 8555 B18R1.175218 NC(=O)CCCOCCCCN1CCCCCC1 34a_100011305542_100102525003 [0,1,0,1,0,0|2,0,0]=4 8556 B18R1.175218 O=C([O-])CCCCCOCCN1CCCCCC1 7a_100102619762_100000722644 [0,1,0,1,0,0|2,0,0]=4 8557 B18R1.7813 CCCCCCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210759 [0,1,0,1,0,0|1,0,1]=4 8558 B18R1.7813 CCCCCCCCC(=O)CCN1CCCC1=O 1458a_100000210188_100000742232 [0,1,0,1,0,0|1,0,1]=4 8559 B18R1.7813 CCCCCCCCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210759 [0,1,0,1,0,0|1,0,1]=4 8560 B18R1.7813 CCCCCCCCC(C)CNC1CCNC1=O 270004a_100016995588_100011995885 [0,1,0,1,0,0|2,0,0]=4 8561 B18R1.7813 CCCCCCCCC(C)COC1CCCC1=O 34a_200012125181_100000709159 [0,1,0,1,0,0|1,0,0]=3 8562 B18R1.7813 CCCCCCCCC(C)COC1CCCC1=O 7a_200012125181_100000211823 [0,1,0,1,0,0|1,0,0]=3 8563 B18R1.7813 CCCCCCCCC(C)COC1CCOC1=O 34a_200012125181_100000211211 [0,1,0,1,0,0|2,0,0]=4 8564 B18R1.7813 CCCCCCCCC(C)COC1CCOC1=O 7a_200012125181_100000211211 [0,1,0,1,0,0|2,0,0]=4 8565 B18R1.7813 CCCCCCCCN(C)CCN1CCCC1=O 2230a_100000207567_100000739059 [0,1,0,1,0,0|2,0,0]=4 8566 B18R1.7813 CCCCCCCCN(C)CCN1CCCC1=O 269982a_100000207567_100000739059 [0,1,0,1,0,0|2,0,0]=4 8567 B18R1.7832 CCCCCCCCC(C)OCCC1CCC1=O 7a_100000210740_200016118888 [0,1,0,1,0,0|1,0,0]=3 8568 B18R1.7833 CCCCCCCCC(=O)C1CCCCCC1=O 1458a_100000210188_100000243696 [0,1,0,1,0,0|0,0,1]=3 8569 B18R1.7833 CCCCCCCCC(=O)C1CCCCNC1=O 1458a_100000210188_100000735217 [0,1,0,1,0,0|1,0,1]=4 8570 B18R1.7833 CCCCCCCCN(C)C1CCCCCC1=O 269982a_100000207567_100000243696 [0,1,0,1,0,0|1,0,0]=3 8571 B18R1.7833 CCCCCCCCN(C)C1CCCCNC1=O 2230a_100000207567_100000735217 [0,1,0,1,0,0|2,0,0]=4 8572 B18R1.7833 CCCCCCCCN(C)C1CCCCNC1=O 269982a_100000207567_100000735217 [0,1,0,1,0,0|2,0,0]=4 8573 B18R1.7833 O=C(CCCCCCCO)C1CCCCCC1=O 1458a_100011219782_100000243696 [0,1,0,1,0,0|1,0,1]=4 8574 B18R1.7841 CCCCCCCCC(C)NC1CCCNC1=O 270004a_100000747585_100011216694 [0,1,0,1,0,0|2,0,0]=4 8575 B18R1.7841 CCCCCCCCC(C)OC1CCCCC1=O 34a_100000210740_100000754470 [0,1,0,1,0,0|1,0,0]=3 8576 B18R1.7841 CCCCCCCCC(C)OC1CCCCC1=O 7a_100000210740_100000204591 [0,1,0,1,0,0|1,0,0]=3 8577 B18R1.7841 CCCCCCCCC(C)OC1CCCNC1=O 34a_100000210740_100000687798 [0,1,0,1,0,0|2,0,0]=4 8578 B18R1.7841 CCCCCCCCC(C)OC1CCCNC1=O 7a_100000210740_100000687798 [0,1,0,1,0,0|2,0,0]=4 8579 B18R1.7841 CCCCCCCCC(C)OC1COCCC1=O 34a_100000210740_100012180262 [0,1,0,1,0,0|2,0,0]=4 8580 B18R1.7841 CCCCCCCCC(C)OC1COCCC1=O 7a_100000210740_100012180262 [0,1,0,1,0,0|2,0,0]=4 8581 B18R1.292 C#CCCCCCCCCCOCC1CCCC1 34a_100000034437_100000740388 [0,1,0,1,0,0|1,0,1]=4 8582 B18R1.292 C#CCCCCCCCCCOCC1CCCC1 7a_100000034437_100000740388 [0,1,0,1,0,0|1,0,1]=4 8583 B18R1.292 C#CCCCCCCCCOCCC1CCCC1 34a_100000065265_100000760354 [0,1,0,1,0,0|1,0,1]=4 8584 B18R1.292 C#CCCCCCCCCOCCC1CCCC1 7a_100000065265_100000760354 [0,1,0,1,0,0|1,0,1]=4 8585 B18R1.292 C#CCCCCCCCNCCCC1CCCC1 2230a_100000736752_100153394163 [0,1,0,1,0,0|1,0,1]=4 8586 B18R1.292 C#CCCCCCCCNCCCC1CCCC1 34a_100000736752_100153394163 [0,1,0,1,0,0|1,0,1]=4 8587 B18R1.292 C#CCCCCCCCOCCCC1CCCC1 34a_100000054614_100011713738 [0,1,0,1,0,0|1,0,1]=4 8588 B18R1.292 C#CCCCCCCCOCCCC1CCCC1 34a_100011215328_100153394163 [0,1,0,1,0,0|1,0,1]=4 8589 B18R1.292 C#CCCCCCCCOCCCC1CCCC1 7a_100000054614_100011713738 [0,1,0,1,0,0|1,0,1]=4 8590 B18R1.292 C#CCCCCCCCOCCCC1CCCC1 7a_100011215328_100153394163 [0,1,0,1,0,0|1,0,1]=4 8591 B18R1.292 C=CCCCCCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100011093070 [0,1,0,1,0,0|2,0,0]=4 8592 B18R1.292 C=CCCCCCCCCCCN[C@H]1CCOC1 2230a_100015188467_100011093070 [0,1,0,1,0,0|2,0,0]=4 8593 B18R1.292 C=CCCCCCCCCCCN[C@H]1CCOC1 34a_100015188467_100011093070 [0,1,0,1,0,0|2,0,0]=4 8594 B18R1.292 C=CCCCCCCCCCCOC1CCCO1 34a_100000085407_100011093070 [0,1,0,1,0,0|2,0,0]=4 8595 B18R1.292 C=CCCCCCCCCCCO[C@H]1CCOC1 34a_100000717292_100011093070 [0,1,0,1,0,0|2,0,0]=4 8596 B18R1.292 C=CCCCCCCCCCNCC1CCCO1 2230a_100000081888_100000203698 [0,1,0,1,0,0|2,0,0]=4 8597 B18R1.292 C=CCCCCCCCCCNCC1CCOC1 2230a_100000081888_100000702531 [0,1,0,1,0,0|2,0,0]=4 8598 B18R1.292 C=CCCCCCCCCCNCC1CCOC1 2230a_100000737293_100009814027 [0,1,0,1,0,0|2,0,0]=4 8599 B18R1.292 C=CCCCCCCCCCNCC1CCOC1 34a_100000081888_100011261433 [0,1,0,1,0,0|2,0,0]=4 8600 B18R1.292 C=CCCCCCCCCCNCC1CCOC1 34a_100000737293_100009814027 [0,1,0,1,0,0|2,0,0]=4 8601 B18R1.292 C=CCCCCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100009814027 [0,1,0,1,0,0|2,0,0]=4 8602 B18R1.292 C=CCCCCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100009814027 [0,1,0,1,0,0|2,0,0]=4 8603 B18R1.292 C=CCCCCCCCCCOCC1CCCO1 34a_100000210270_100009814027 [0,1,0,1,0,0|2,0,0]=4 8604 B18R1.292 C=CCCCCCCCCCOCC1CCCO1 7a_100000038209_100000203698 [0,1,0,1,0,0|2,0,0]=4 8605 B18R1.292 C=CCCCCCCCCCOCC1CCCO1 7a_100000210270_100009814027 [0,1,0,1,0,0|2,0,0]=4 8606 B18R1.292 C=CCCCCCCCCCOCC1CCNC1 34a_100000748654_100009814027 [0,1,0,1,0,0|2,0,0]=4 8607 B18R1.292 C=CCCCCCCCCCOCC1CCOC1 34a_100000038209_100011261433 [0,1,0,1,0,0|2,0,0]=4 8608 B18R1.292 C=CCCCCCCCCCOCC1CCOC1 34a_100000740260_100009814027 [0,1,0,1,0,0|2,0,0]=4 8609 B18R1.292 C=CCCCCCCCCCOCC1CCOC1 7a_100000038209_100000702531 [0,1,0,1,0,0|2,0,0]=4 8610 B18R1.292 C=CCCCCCCCCCOC[C@H]1CCCN1 34a_100000745186_100009814027 [0,1,0,1,0,0|2,0,0]=4 8611 B18R1.292 C=CCCCCCCCCOCCC1CCNC1 34a_100016987287_100011933949 [0,1,0,1,0,0|2,0,0]=4 8612 B18R1.292 C=CCCCCCCCCOCCC1CCOC1 34a_100011879284_100011933949 [0,1,0,1,0,0|2,0,0]=4 8613 B18R1.292 C=CCCCCCCCCOCCN1CCCC1 7a_100011215194_100000004467 [0,1,0,1,0,0|2,0,0]=4 8614 B18R1.292 C=CCCCCCCCCSCCN1CCCC1 62a_100000700749_100011933949 [0,1,0,1,0,0|2,0,0]=4 8615 B18R1.292 C=CCCCCCCCCSCCN1CCCC1 62a_100011933949_100000004467 [0,1,0,1,0,0|2,0,0]=4 8616 B18R1.292 C=CCCCCCCCNCCOC1CCCC1 34a_100000741755_100012355270 [0,1,0,1,0,0|2,0,0]=4 8617 B18R1.292 C=CCCCCCCCOCCCN1CCCC1 34a_100000730831_100016991639 [0,1,0,1,0,0|2,0,0]=4 8618 B18R1.292 C=CCCCCCCCOCCCN1CCCC1 7a_100000730831_100011445909 [0,1,0,1,0,0|2,0,0]=4 8619 B18R1.292 C=CCCCCCCCOCCNC1CCCC1 34a_200000200444_100012355270 [0,1,0,1,0,0|2,0,0]=4 8620 B18R1.292 C=CCCCCCCCOCCOC1CCCC1 34a_100000738311_100012355270 [0,1,0,1,0,0|2,0,0]=4 8621 B18R1.292 C=CCCCCCCCOCCOC1CCCC1 7a_100000738311_100012355270 [0,1,0,1,0,0|2,0,0]=4 8622 B18R1.292 C=CCCCCCCCSCCCN1CCCC1 62a_100012355270_100011445909 [0,1,0,1,0,0|2,0,0]=4 8623 B18R1.292 C=CCCCCCCCSCCCN1CCCC1 62a_100016991639_100012355270 [0,1,0,1,0,0|2,0,0]=4 8624 B18R1.292 C=CCCCCCCNCCCOC1CCCC1 34a_100000747560_100011215473 [0,1,0,1,0,0|2,0,0]=4 8625 B18R1.292 CCCCCCCCCCCCNC1CCOC1 2230a_100000210451_100000731011 [0,1,0,1,0,0|2,0,0]=4 8626 B18R1.292 CCCCCCCCCCCCNC1CCOC1 270004a_100000210451_100000752484 [0,1,0,1,0,0|2,0,0]=4 8627 B18R1.292 CCCCCCCCCCCCNC1CCOC1 34a_100000210451_100000690089 [0,1,0,1,0,0|2,0,0]=4 8628 B18R1.292 CCCCCCCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100011215052 [0,1,0,1,0,0|2,0,0]=4 8629 B18R1.292 CCCCCCCCCCCCN[C@@H]1CCOC1 270004a_200015188469_100011218549 [0,1,0,1,0,0|2,0,0]=4 8630 B18R1.292 CCCCCCCCCCCCN[C@H]1CCOC1 2230a_100015188467_100011215052 [0,1,0,1,0,0|2,0,0]=4 8631 B18R1.292 CCCCCCCCCCCCN[C@H]1CCOC1 270004a_100015188467_100011218549 [0,1,0,1,0,0|2,0,0]=4 8632 B18R1.292 CCCCCCCCCCCCN[C@H]1CCOC1 34a_100015188467_100000759014 [0,1,0,1,0,0|2,0,0]=4 8633 B18R1.292 CCCCCCCCCCCCOC1CCOC1 34a_100000210810_100000690089 [0,1,0,1,0,0|2,0,0]=4 8634 B18R1.292 CCCCCCCCCCCCOC1CCOC1 7a_100000210810_100000731011 [0,1,0,1,0,0|2,0,0]=4 8635 B18R1.292 CCCCCCCCCCCCO[C@H]1CCOC1 34a_100000717292_100000759014 [0,1,0,1,0,0|2,0,0]=4 8636 B18R1.292 CCCCCCCCCCCNCC1CCCO1 2230a_200011215754_100000203698 [0,1,0,1,0,0|0,0,2]=4 8637 B18R1.292 CCCCCCCCCCCNCC1CCOC1 2230a_100000737293_100011215454 [0,1,0,1,0,0|2,0,0]=4 8638 B18R1.292 CCCCCCCCCCCNCC1CCOC1 2230a_200011215754_100000702531 [0,1,0,1,0,0|2,0,0]=4 8639 B18R1.292 CCCCCCCCCCCNCC1CCOC1 34a_100000737293_100011215454 [0,1,0,1,0,0|2,0,0]=4 8640 B18R1.292 CCCCCCCCCCCNCC1CCOC1 34a_200011215754_100011261433 [0,1,0,1,0,0|2,0,0]=4 8641 B18R1.292 CCCCCCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100011215454 [0,1,0,1,0,0|0,0,2]=4 8642 B18R1.292 CCCCCCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100011215454 [0,1,0,1,0,0|0,0,2]=4 8643 B18R1.292 CCCCCCCCCCCOCC1CCCO1 34a_100000210270_100011215454 [0,1,0,1,0,0|0,0,2]=4 8644 B18R1.292 CCCCCCCCCCCOCC1CCCO1 7a_100000210270_100011215454 [0,1,0,1,0,0|0,0,2]=4 8645 B18R1.292 CCCCCCCCCCCOCC1CCCO1 7a_100000210809_100000203698 [0,1,0,1,0,0|0,0,2]=4 8646 B18R1.292 CCCCCCCCCCCOCC1CCNC1 34a_100000748654_100011215454 [0,1,0,1,0,0|2,0,0]=4 8647 B18R1.292 CCCCCCCCCCCOCC1CCOC1 34a_100000210809_100011261433 [0,1,0,1,0,0|2,0,0]=4 8648 B18R1.292 CCCCCCCCCCCOCC1CCOC1 34a_100000740260_100011215454 [0,1,0,1,0,0|2,0,0]=4 8649 B18R1.292 CCCCCCCCCCCOCC1CCOC1 7a_100000210809_100000702531 [0,1,0,1,0,0|2,0,0]=4 8650 B18R1.292 CCCCCCCCCCCOC[C@H]1CCCN1 34a_100000745186_100011215454 [0,1,0,1,0,0|1,0,1]=4 8651 B18R1.292 CCCCCCCCCCOCCC1CCNC1 34a_100016987287_100000210320 [0,1,0,1,0,0|2,0,0]=4 8652 B18R1.292 CCCCCCCCCCOCCC1CCOC1 34a_100011879284_100000210320 [0,1,0,1,0,0|2,0,0]=4 8653 B18R1.292 NCCCCCCCCCCOCC1CCCC1 34a_100000066964_100000740388 [0,1,0,1,0,0|1,0,1]=4 8654 B18R1.292 NCCCCCCCCCOCCC1CCCC1 34a_100000078944_100000760354 [0,1,0,1,0,0|1,0,1]=4 8655 B18R1.292 NCCCCCCCCOCCCC1CCCC1 34a_102515433106_100011713738 [0,1,0,1,0,0|1,0,1]=4 8656 B18R1.292 O=CCCCCCOCCCCOC1CCCO1 7a_100011018183_100000139337 [0,1,0,1,0,0|2,0,0]=4 8657 B18R1.292 O=CCSCCCCCCCCCC1OCCO1 62a_200015260668_103619048131 [0,1,0,1,0,0|2,0,0]=4 8658 B18R1.292 OCCCCCCCCCCCCN1CCCC1 2230a_100000188435_100009813331 [0,1,0,1,0,0|0,0,2]=4 8659 B18R1.292 OCCCCCCCCCCCCN1CCCC1 269982a_100000188435_100009813331 [0,1,0,1,0,0|0,0,2]=4 8660 B18R1.292 OCCCCCCCCCCCNC1CCCC1 2230a_100000211070_100009812471 [0,1,0,1,0,0|0,0,2]=4 8661 B18R1.292 OCCCCCCCCCCCNC1CCCC1 34a_100000211070_100009812471 [0,1,0,1,0,0|0,0,2]=4 8662 B18R1.292 OCCCCCCCCCCCOC1CCCC1 34a_100000210269_100009812471 [0,1,0,1,0,0|0,0,2]=4 8663 B18R1.292 OCCCCCCCCCCCOC1CCCC1 7a_100000210269_100009812471 [0,1,0,1,0,0|0,0,2]=4 8664 B18R1.292 OCCCCCCCCCCNCC1CCCC1 2230a_100000066964_100000740388 [0,1,0,1,0,0|0,0,2]=4 8665 B18R1.292 OCCCCCCCCCCNCC1CCCC1 2230a_100000737975_100009813290 [0,1,0,1,0,0|0,0,2]=4 8666 B18R1.292 OCCCCCCCCCCNCC1CCCC1 269862a_100000066964_100000746403 [0,1,0,1,0,0|0,0,2]=4 8667 B18R1.292 OCCCCCCCCCCNCC1CCCC1 34a_100000066964_100000740388 [0,1,0,1,0,0|0,0,2]=4 8668 B18R1.292 OCCCCCCCCCCNCC1CCCC1 34a_100000737975_100009813290 [0,1,0,1,0,0|0,0,2]=4 8669 B18R1.292 OCCCCCCCCCCOCC1CCCC1 34a_100000742336_100009813290 [0,1,0,1,0,0|0,0,2]=4 8670 B18R1.292 OCCCCCCCCCCOCC1CCCC1 7a_100000742336_100009813290 [0,1,0,1,0,0|0,0,2]=4 8671 B18R1.292 OCCCCCCCCCNCCC1CCCC1 2230a_100000078944_100000760354 [0,1,0,1,0,0|0,0,2]=4 8672 B18R1.292 OCCCCCCCCCNCCC1CCCC1 2230a_100000739158_100009813782 [0,1,0,1,0,0|0,0,2]=4 8673 B18R1.292 OCCCCCCCCCNCCC1CCCC1 34a_100000078944_100000760354 [0,1,0,1,0,0|0,0,2]=4 8674 B18R1.292 OCCCCCCCCCNCCC1CCCC1 34a_100000739158_100009813782 [0,1,0,1,0,0|0,0,2]=4 8675 B18R1.292 OCCCCCCCCCOCCC1CCCC1 34a_100000749090_100009813782 [0,1,0,1,0,0|0,0,2]=4 8676 B18R1.292 OCCCCCCCCCOCCC1CCCC1 7a_100000749090_100009813782 [0,1,0,1,0,0|0,0,2]=4 8677 B18R1.292 OCCCCCCCCNCCCC1CCCC1 2230a_100000736752_100000033203 [0,1,0,1,0,0|0,0,2]=4 8678 B18R1.292 OCCCCCCCCNCCCC1CCCC1 2230a_102515433106_100011713738 [0,1,0,1,0,0|0,0,2]=4 8679 B18R1.292 OCCCCCCCCNCCCC1CCCC1 34a_100000736752_100000033203 [0,1,0,1,0,0|0,0,2]=4 8680 B18R1.292 OCCCCCCCCNCCCC1CCCC1 34a_102515433106_100011713738 [0,1,0,1,0,0|0,0,2]=4 8681 B18R1.292 OCCCCCCCCOCCCC1CCCC1 34a_100011215328_100000033203 [0,1,0,1,0,0|0,0,2]=4 8682 B18R1.292 OCCCCCCCCOCCCC1CCCC1 7a_100011215328_100000033203 [0,1,0,1,0,0|0,0,2]=4 8683 B18R1.317 C#CCCCCCCCCOC1CCCCC1=O 34a_100000065265_100000754470 [0,1,0,1,0,0|0,0,2]=4 8684 B18R1.317 C#CCCCCCCCCOC1CCCCC1=O 7a_100000065265_100000204591 [0,1,0,1,0,0|0,0,2]=4 8685 B18R1.317 C#CCCCCCCCOCC1CCCCC1=O 34a_100009861125_100153394163 [0,1,0,1,0,0|0,0,2]=4 8686 B18R1.317 C#CCCCCCCCOCC1CCCCC1=O 7a_100009861125_100153394163 [0,1,0,1,0,0|0,0,2]=4 8687 B18R1.317 C=CCCCCCCCCCN1CCOC[C@@H]1C 2230a_100009815349_100009814027 [0,1,0,1,0,0|2,0,0]=4 8688 B18R1.317 C=CCCCCCCCCCN1CCOC[C@@H]1C 269982a_100009815349_100009814027 [0,1,0,1,0,0|2,0,0]=4 8689 B18R1.317 C=CCCCCCCCCCN1CCOC[C@@H]1C 34a_100009815349_100009814027 [0,1,0,1,0,0|2,0,0]=4 8690 B18R1.317 C=CCCCCCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011933949 [0,1,0,1,0,0|2,0,0]=4 8691 B18R1.317 C=CCCCCCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011933949 [0,1,0,1,0,0|2,0,0]=4 8692 B18R1.317 C=CCCCCCCCCOC1CCCCC1=O 34a_100011214950_100011933949 [0,1,0,1,0,0|0,0,2]=4 8693 B18R1.317 C=CCCCCCCCCOC1CCCCC1=O 34a_100011215194_100000754470 [0,1,0,1,0,0|0,0,2]=4 8694 B18R1.317 C=CCCCCCCCCOC1CCCCC1=O 7a_100011215194_100000204591 [0,1,0,1,0,0|0,0,2]=4 8695 B18R1.317 C=CCCCCCCCCOC1CCCCC1O 34a_100011215194_100000038908 [0,1,0,1,0,0|2,0,0]=4 8696 B18R1.317 C=CCCCCCCCCOC1CCNCC1C 34a_100011998114_100011933949 [0,1,0,1,0,0|2,0,0]=4 8697 B18R1.317 C=CCCCCCCCCOC1CNCCC1C 34a_100000696640_100011933949 [0,1,0,1,0,0|2,0,0]=4 8698 B18R1.317 C=CCCCCCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100011933949 [0,1,0,1,0,0|2,0,0]=4 8699 B18R1.317 C=CCCCCCCCCSC1CCCCC1O 62a_100000038908_100011933949 [0,1,0,1,0,0|2,0,0]=4 8700 B18R1.317 C=CCCCCCCCCSC1CCCCC1O 62a_100011933949_100000038908 [0,1,0,1,0,0|2,0,0]=4 8701 B18R1.317 C=CCCCCCCCNCC1CCCCC1O 34a_100011216029_100012355270 [0,1,0,1,0,0|2,0,0]=4 8702 B18R1.317 C=CCCCCCCCNCC1CCCCN1C 34a_100011228421_100012355270 [0,1,0,1,0,0|2,0,0]=4 8703 B18R1.317 C=CCCCCCCCOCC1CCCCC1=O 34a_100009861125_100012355270 [0,1,0,1,0,0|0,0,2]=4 8704 B18R1.317 C=CCCCCCCCOCC1CCCCC1=O 7a_100009861125_100012355270 [0,1,0,1,0,0|0,0,2]=4 8705 B18R1.317 C=CCCCCCCCOCC1CCCCN1C 34a_100000225079_100012355270 [0,1,0,1,0,0|2,0,0]=4 8706 B18R1.317 C=CCCCCCCCOCC1CCCCN1C 34a_100000730831_100015186950 [0,1,0,1,0,0|2,0,0]=4 8707 B18R1.317 C=CCCCCCCCOCC1CCCCN1C 7a_100000730831_100015185383 [0,1,0,1,0,0|2,0,0]=4 8708 B18R1.317 C=CCCCCCCCSCC1CCCCN1C 62a_100012355270_100015185383 [0,1,0,1,0,0|2,0,0]=4 8709 B18R1.317 C=CCCCCCCCSCC1CCCCN1C 62a_100015185383_100012355270 [0,1,0,1,0,0|2,0,0]=4 8710 B18R1.317 C=CCCCCCCNCCN1CCCCC1C 2230a_100000739827_100011215473 [0,1,0,1,0,0|2,0,0]=4 8711 B18R1.317 C=CCCCCCCNCCN1CCCCC1C 34a_100000739827_100011215473 [0,1,0,1,0,0|2,0,0]=4 8712 B18R1.317 C=CCCCCCCOCCC1CCCCN1C 34a_200011216477_100000211948 [0,1,0,1,0,0|2,0,0]=4 8713 B18R1.317 C=CCCCCCCOCCC1CCCCN1C 7a_200011216477_100000211948 [0,1,0,1,0,0|2,0,0]=4 8714 B18R1.317 C=CCCCCCCOCCN1CCCCC1C 34a_100011305533_100011215473 [0,1,0,1,0,0|2,0,0]=4 8715 B18R1.317 C=CCCCCCCSCCC1CCCCN1C 62a_100000211948_100011215473 [0,1,0,1,0,0|2,0,0]=4 8716 B18R1.317 C=CCCCCCCSCCC1CCCCN1C 62a_100011215473_100000211948 [0,1,0,1,0,0|2,0,0]=4 8717 B18R1.317 C=CCCCCCNCCCN1CCCCC1C 34a_100000212276_100000700193 [0,1,0,1,0,0|2,0,0]=4 8718 B18R1.317 C=CCCCCCOCCCN1CCCCC1C 34a_100000213889_100000700193 [0,1,0,1,0,0|2,0,0]=4 8719 B18R1.317 C=CCCCCCOCCCN1CCCCC1C 7a_100000213889_100000700193 [0,1,0,1,0,0|2,0,0]=4 8720 B18R1.317 CC1CCCCC1NCCCCCCCCCO 2230a_100000211402_100009813782 [0,1,0,1,0,0|0,0,2]=4 8721 B18R1.317 CC1CCCCC1NCCCCCCCCCO 269862a_100000078944_100000210921 [0,1,0,1,0,0|0,0,2]=4 8722 B18R1.317 CC1CCCCC1NCCCCCCCCCO 270004a_100000078944_100000210921 [0,1,0,1,0,0|0,0,2]=4 8723 B18R1.317 CC1CCCCC1NCCCCCCCCCO 34a_100000211402_100009813782 [0,1,0,1,0,0|0,0,2]=4 8724 B18R1.317 CC1CCCCC1OCCCCCCCCCO 34a_100000211207_100009813782 [0,1,0,1,0,0|0,0,2]=4 8725 B18R1.317 CC1CCCCC1OCCCCCCCCCO 7a_100000211207_100009813782 [0,1,0,1,0,0|0,0,2]=4 8726 B18R1.317 CC1CCCCN1CCCCCCCCCCO 2230a_100000211376_100009813290 [0,1,0,1,0,0|0,0,2]=4 8727 B18R1.317 CC1CCCCN1CCCCCCCCCCO 269982a_100000211376_100009813290 [0,1,0,1,0,0|0,0,2]=4 8728 B18R1.317 CC1CCCCN1CCCCCCCCCCO 34a_100000211376_100009813290 [0,1,0,1,0,0|0,0,2]=4 8729 B18R1.317 CC1CCCCN1CCCOCCCCCC=O 7a_100000213889_100000139337 [0,1,0,1,0,0|1,0,0]=3 8730 B18R1.317 CCC#CCCCCCCOC1CCCCC1=O 34a_100011214950_200000036426 [0,1,0,1,0,0|0,0,2]=4 8731 B18R1.317 CCC#CCCCCCCSC1CCCCC1=O 62a_100000204591_200000036426 [0,1,0,1,0,0|0,0,2]=4 8732 B18R1.317 CCC#CCCCCCCSC1CCCCC1=O 62a_200000036426_100000204591 [0,1,0,1,0,0|0,0,2]=4 8733 B18R1.317 CCCC/C=C/CCCCOC1CCCCC1=O 34a_200020645093_100000754470 [0,1,0,1,0,0|0,0,2]=4 8734 B18R1.317 CCCC/C=C/CCCCOC1CCCCC1=O 7a_200020645093_100000204591 [0,1,0,1,0,0|0,0,2]=4 8735 B18R1.317 CCCCC#CCCCCOC1CCCCC1=O 34a_200000066234_100000754470 [0,1,0,1,0,0|0,0,2]=4 8736 B18R1.317 CCCCC#CCCCCOC1CCCCC1=O 7a_200000066234_100000204591 [0,1,0,1,0,0|0,0,2]=4 8737 B18R1.317 CCCCC#CCCCOCC1CCCCC1=O 34a_100009861125_200000047210 [0,1,0,1,0,0|0,0,2]=4 8738 B18R1.317 CCCCC#CCCCOCC1CCCCC1=O 7a_100009861125_200000047210 [0,1,0,1,0,0|0,0,2]=4 8739 B18R1.317 CCCCC/C=C\CCCOC1CCCCC1=O 34a_100020655193_100000754470 [0,1,0,1,0,0|0,0,2]=4 8740 B18R1.317 CCCCC/C=C\CCCOC1CCCCC1=O 7a_100020655193_100000204591 [0,1,0,1,0,0|0,0,2]=4 8741 B18R1.317 CCCCCCC#CCCOC1CCCCC1=O 34a_200000033163_100000754470 [0,1,0,1,0,0|0,0,2]=4 8742 B18R1.317 CCCCCCC#CCCOC1CCCCC1=O 7a_200000033163_100000204591 [0,1,0,1,0,0|0,0,2]=4 8743 B18R1.317 CCCCCCCC#CCOC1CCCCC1=O 34a_200000061759_100000754470 [0,1,0,1,0,0|0,0,2]=4 8744 B18R1.317 CCCCCCCC#CCOC1CCCCC1=O 7a_200000061759_100000204591 [0,1,0,1,0,0|0,0,2]=4 8745 B18R1.317 CCCCCCCCCCNC1CCCCC1=O 34a_100000684558_100000754470 [0,1,0,1,0,0|0,0,0]=2 8746 B18R1.317 CCCCCCCCCCNC1CCCCC1O 34a_100000684558_100000038908 [0,1,0,1,0,0|0,0,2]=4 8747 B18R1.317 CCCCCCCCCCNC1CCCNC1=O 2230a_100000684558_100000687798 [0,1,0,1,0,0|1,0,0]=3 8748 B18R1.317 CCCCCCCCCCNC1CCCNC1=O 2230a_100000747585_100000210320 [0,1,0,1,0,0|1,0,0]=3 8749 B18R1.317 CCCCCCCCCCNC1CCCNC1=O 34a_100000684558_100000687798 [0,1,0,1,0,0|1,0,0]=3 8750 B18R1.317 CCCCCCCCCCNC1CCCNC1=O 34a_100000747585_100000210320 [0,1,0,1,0,0|1,0,0]=3 8751 B18R1.317 CCCCCCCCCCNC1COCCC1=O 34a_100000684558_100012180262 [0,1,0,1,0,0|1,0,0]=3 8752 B18R1.317 CCCCCCCCCCOC1CCCCC1=O 34a_100000210711_100000754470 [0,1,0,1,0,0|0,0,0]=2 8753 B18R1.317 CCCCCCCCCCOC1CCCCC1=O 34a_100011214950_100000210320 [0,1,0,1,0,0|0,0,0]=2 8754 B18R1.317 CCCCCCCCCCOC1CCCCC1=O 7a_100000210711_100000204591 [0,1,0,1,0,0|0,0,0]=2 8755 B18R1.317 CCCCCCCCCCOC1CCCCC1O 34a_100000210711_100000038908 [0,1,0,1,0,0|0,0,2]=4 8756 B18R1.317 CCCCCCCCCCOC1CCCNC1=O 34a_100000073722_100000210320 [0,1,0,1,0,0|1,0,0]=3 8757 B18R1.317 CCCCCCCCCCOC1CCCNC1=O 34a_100000210711_100000687798 [0,1,0,1,0,0|1,0,0]=3 8758 B18R1.317 CCCCCCCCCCOC1CCCNC1=O 7a_100000210711_100000687798 [0,1,0,1,0,0|1,0,0]=3 8759 B18R1.317 CCCCCCCCCCOC1COCCC1=O 34a_100000210711_100012180262 [0,1,0,1,0,0|1,0,0]=3 8760 B18R1.317 CCCCCCCCCCOC1COCCC1=O 7a_100000210711_100012180262 [0,1,0,1,0,0|1,0,0]=3 8761 B18R1.317 CCCCCCCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210320 [0,1,0,1,0,0|1,0,1]=4 8762 B18R1.317 CCCCCCCCCCSC1CCCNC1=O 62a_100000687798_100000210320 [0,1,0,1,0,0|1,0,0]=3 8763 B18R1.317 CCCCCCCCCCSC1COCCC1=O 62a_100012180262_100000210320 [0,1,0,1,0,0|1,0,0]=3 8764 B18R1.317 CCCCCCCCCNCC1CCCCC1O 34a_100011216029_100011214924 [0,1,0,1,0,0|0,0,2]=4 8765 B18R1.317 CCCCCCCCCNCC1CCCCN1C 34a_100000212291_100015186950 [0,1,0,1,0,0|2,0,0]=4 8766 B18R1.317 CCCCCCCCCNCC1CCCCN1C 34a_100011228421_100011214924 [0,1,0,1,0,0|2,0,0]=4 8767 B18R1.317 CCCCCCCCCOCC1CCCCC1=O 34a_100009861125_100011214924 [0,1,0,1,0,0|0,0,0]=2 8768 B18R1.317 CCCCCCCCCOCC1CCCCC1=O 7a_100009861125_100000210328 [0,1,0,1,0,0|0,0,0]=2 8769 B18R1.317 CCCCCCCCCOCC1CCCCN1C 34a_100000210712_100015186950 [0,1,0,1,0,0|2,0,0]=4 8770 B18R1.317 CCCCCCCCCOCC1CCCCN1C 34a_100000225079_100011214924 [0,1,0,1,0,0|2,0,0]=4 8771 B18R1.317 CCCCCCCCCOCC1CCCCN1C 7a_100000210712_100015185383 [0,1,0,1,0,0|2,0,0]=4 8772 B18R1.317 CCCCCCCCCSCC1CCCCN1C 62a_100015185383_100000210670 [0,1,0,1,0,0|2,0,0]=4 8773 B18R1.317 CCCCCCCCNCCC1CCCCN1C 2230a_100000229939_100000211948 [0,1,0,1,0,0|2,0,0]=4 8774 B18R1.317 CCCCCCCCNCCC1CCCCN1C 34a_100000229939_100000211948 [0,1,0,1,0,0|2,0,0]=4 8775 B18R1.317 CCCCCCCCNCCN1CCCCC1=O 2230a_100160573077_100000210759 [0,1,0,1,0,0|1,0,0]=3 8776 B18R1.317 CCCCCCCCNCCN1CCCCC1=O 34a_100160573077_100000210759 [0,1,0,1,0,0|1,0,0]=3 8777 B18R1.317 CCCCCCCCOCCC1CCCCN1C 34a_100000210232_100000211948 [0,1,0,1,0,0|2,0,0]=4 8778 B18R1.317 CCCCCCCCOCCC1CCCCN1C 7a_100000210232_100000211948 [0,1,0,1,0,0|2,0,0]=4 8779 B18R1.317 CCCCCCCCOCCC1NCCNC1=O 34a_100000044719_100000210759 [0,1,0,1,0,0|2,0,0]=4 8780 B18R1.317 CCCCCCCCSCCC1CCCCN1C 62a_100000210759_100000211948 [0,1,0,1,0,0|2,0,0]=4 8781 B18R1.317 CCCCCCCCSCCC1CCCCN1C 62a_100000211948_100000210317 [0,1,0,1,0,0|2,0,0]=4 8782 B18R1.317 CCCCOCCOCCOC1CCCCC1=O 34a_100011215186_100000754470 [0,1,0,1,0,0|2,0,0]=4 8783 B18R1.317 CCCCOCCOCCOC1CCCCC1=O 7a_100011215186_100000204591 [0,1,0,1,0,0|2,0,0]=4 8784 B18R1.317 COCCCCCCNCCN1CCCCC1=O 2230a_100160573077_100011998445 [0,1,0,1,0,0|2,0,0]=4 8785 B18R1.317 COCCCCCCNCCN1CCCCC1=O 34a_100160573077_100011998445 [0,1,0,1,0,0|2,0,0]=4 8786 B18R1.317 NCCCCCCCCCOC1CCCCC1=O 34a_100000078944_100000754470 [0,1,0,1,0,0|1,0,0]=3 8787 B18R1.317 NCCCCCCCCCOC1CCCNC1=O 34a_100000078944_100000687798 [0,1,0,1,0,0|2,0,0]=4 8788 B18R1.317 NCCCCCCCCCOC1COCCC1=O 34a_100000078944_100012180262 [0,1,0,1,0,0|2,0,0]=4 8789 B18R1.317 O=C1CCCCC1COCCCCCCCCO 34a_100009861125_100000033203 [0,1,0,1,0,0|1,0,0]=3 8790 B18R1.317 O=C1CCCCC1COCCCCCCCCO 7a_100009861125_100000033203 [0,1,0,1,0,0|1,0,0]=3 8791 B18R1.317 O=C1CCCCC1NCCCCCCCCCO 34a_100000078944_100000754470 [0,1,0,1,0,0|1,0,0]=3 8792 B18R1.317 O=C1CCCCC1OCCCCCCCCCBr 34a_100009813782_100000754470 [0,1,0,1,0,0|1,0,0]=3 8793 B18R1.317 O=C1CCCCC1OCCCCCCCCCBr 7a_100009813782_100000204591 [0,1,0,1,0,0|1,0,0]=3 8794 B18R1.317 O=C1CCCCC1OCCCCCCCCCCl 34a_100009868337_100000754470 [0,1,0,1,0,0|1,0,0]=3 8795 B18R1.317 O=C1CCCCC1OCCCCCCCCCCl 7a_100009868337_100000204591 [0,1,0,1,0,0|1,0,0]=3 8796 B18R1.317 O=C1CCCCC1OCCCCCCCCCO 34a_100011214950_100009813782 [0,1,0,1,0,0|1,0,0]=3 8797 B18R1.317 O=C1CCCCC1SCCCCCCCCCO 62a_100000204591_100009813782 [0,1,0,1,0,0|1,0,0]=3 8798 B18R1.317 O=C1CCCCC1SCCCCCCCCCO 62a_100009813782_100000204591 [0,1,0,1,0,0|1,0,0]=3 8799 B18R1.317 O=C1CCCCN1CCNCCCCCCCO 2230a_100160573077_100000760002 [0,1,0,1,0,0|2,0,0]=4 8800 B18R1.317 O=C1CCCCN1CCNCCCCCCCO 34a_100160573077_100000760002 [0,1,0,1,0,0|2,0,0]=4 8801 B18R1.317 O=C1CCOCC1NCCCCCCCCCO 34a_100000078944_100012180262 [0,1,0,1,0,0|2,0,0]=4 8802 B18R1.317 O=C1CCOCC1OCCCCCCCCCBr 34a_100009813782_100012180262 [0,1,0,1,0,0|2,0,0]=4 8803 B18R1.317 O=C1CCOCC1OCCCCCCCCCBr 7a_100009813782_100012180262 [0,1,0,1,0,0|2,0,0]=4 8804 B18R1.317 O=C1CCOCC1OCCCCCCCCCCl 34a_100009868337_100012180262 [0,1,0,1,0,0|2,0,0]=4 8805 B18R1.317 O=C1CCOCC1OCCCCCCCCCCl 7a_100009868337_100012180262 [0,1,0,1,0,0|2,0,0]=4 8806 B18R1.317 O=C1CCOCC1SCCCCCCCCCO 62a_100009813782_100012180262 [0,1,0,1,0,0|2,0,0]=4 8807 B18R1.317 O=C1CCOCC1SCCCCCCCCCO 62a_100012180262_100009813782 [0,1,0,1,0,0|2,0,0]=4 8808 B18R1.317 O=C1NCCCC1NCCCCCCCCCO 2230a_100000078944_100000687798 [0,1,0,1,0,0|2,0,0]=4 8809 B18R1.317 O=C1NCCCC1NCCCCCCCCCO 2230a_100000747585_100009813782 [0,1,0,1,0,0|2,0,0]=4 8810 B18R1.317 O=C1NCCCC1NCCCCCCCCCO 34a_100000078944_100000687798 [0,1,0,1,0,0|2,0,0]=4 8811 B18R1.317 O=C1NCCCC1NCCCCCCCCCO 34a_100000747585_100009813782 [0,1,0,1,0,0|2,0,0]=4 8812 B18R1.317 O=C1NCCCC1OCCCCCCCCCBr 34a_100009813782_100000687798 [0,1,0,1,0,0|2,0,0]=4 8813 B18R1.317 O=C1NCCCC1OCCCCCCCCCBr 7a_100009813782_100000687798 [0,1,0,1,0,0|2,0,0]=4 8814 B18R1.317 O=C1NCCCC1OCCCCCCCCCCl 34a_100009868337_100000687798 [0,1,0,1,0,0|2,0,0]=4 8815 B18R1.317 O=C1NCCCC1OCCCCCCCCCCl 7a_100009868337_100000687798 [0,1,0,1,0,0|2,0,0]=4 8816 B18R1.317 O=C1NCCCC1OCCCCCCCCCO 34a_100000073722_100009813782 [0,1,0,1,0,0|2,0,0]=4 8817 B18R1.317 O=C1NCCCC1SCCCCCCCCCO 62a_100000687798_100009813782 [0,1,0,1,0,0|2,0,0]=4 8818 B18R1.317 O=C1NCCCC1SCCCCCCCCCO 62a_100009813782_100000687798 [0,1,0,1,0,0|2,0,0]=4 8819 B18R1.318 C=CCCCCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100009814027 [0,1,0,1,0,0|2,0,0]=4 8820 B18R1.318 C=CCCCCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100009814027 [0,1,0,1,0,0|2,0,0]=4 8821 B18R1.318 C=CCCCCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100009814027 [0,1,0,1,0,0|2,0,0]=4 8822 B18R1.318 C=CCCCCCCCNCC1CCCN1CC 2230a_100000211693_100012355270 [0,1,0,1,0,0|2,0,0]=4 8823 B18R1.318 C=CCCCCCCCOC[C@H]1CCCN1CC 34a_100011739246_100012355270 [0,1,0,1,0,0|2,0,0]=4 8824 B18R1.318 C=CCCCCCCCOC[C@H]1CCCN1CC 7a_100011739246_100012355270 [0,1,0,1,0,0|2,0,0]=4 8825 B18R1.318 CCC1CCCC1NCCCCCCCCCO 269862a_100000078944_100000749056 [0,1,0,1,0,0|0,0,2]=4 8826 B18R1.318 CCC1CCCC1NCCCCCCCCCO 270004a_100000078944_100000749056 [0,1,0,1,0,0|0,0,2]=4 8827 B18R1.318 CCC1CCCN1CCCCCCCCCCO 2230a_100000754278_100009813290 [0,1,0,1,0,0|0,0,2]=4 8828 B18R1.318 CCC1CCCN1CCCCCCCCCCO 269982a_100000754278_100009813290 [0,1,0,1,0,0|0,0,2]=4 8829 B18R1.318 CCC1CCCN1CCCCCCCCCCO 34a_100000754278_100009813290 [0,1,0,1,0,0|0,0,2]=4 8830 B18R1.318 CCCCCCCCCCCN1CCCC1C#N 2230a_100000701862_100011215454 [0,1,0,1,0,0|1,0,1]=4 8831 B18R1.318 CCCCCCCCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100011215454 [0,1,0,1,0,0|1,0,1]=4 8832 B18R1.318 CCCCCCCCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100011215454 [0,1,0,1,0,0|1,0,1]=4 8833 B18R1.318 CCCCCCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100011215454 [0,1,0,1,0,0|0,0,2]=4 8834 B18R1.318 CCCCCCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215454 [0,1,0,1,0,0|0,0,2]=4 8835 B18R1.318 CCCCCCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100011215454 [0,1,0,1,0,0|0,0,2]=4 8836 B18R1.318 CCCCCCCCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210320 [0,1,0,1,0,0|1,0,1]=4 8837 B18R1.318 CCCCCCCCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210320 [0,1,0,1,0,0|1,0,1]=4 8838 B18R1.1261 C#CCCCCCCCCOCC1CCCCC1 34a_100000065265_100000211423 [0,1,0,1,0,0|1,0,1]=4 8839 B18R1.1261 C#CCCCCCCCCOCC1CCCCC1 7a_100000065265_100000211423 [0,1,0,1,0,0|1,0,1]=4 8840 B18R1.1261 C#CCCCCCCCNCCC1CCCCC1 2230a_100000738074_100153394163 [0,1,0,1,0,0|1,0,1]=4 8841 B18R1.1261 C#CCCCCCCCNCCC1CCCCC1 34a_100000738074_100153394163 [0,1,0,1,0,0|1,0,1]=4 8842 B18R1.1261 C#CCCCCCCCOCCC1CCCCC1 34a_100000054614_100011209188 [0,1,0,1,0,0|1,0,1]=4 8843 B18R1.1261 C#CCCCCCCCOCCC1CCCCC1 34a_100011217863_100153394163 [0,1,0,1,0,0|1,0,1]=4 8844 B18R1.1261 C#CCCCCCCCOCCC1CCCCC1 7a_100000054614_100011273959 [0,1,0,1,0,0|1,0,1]=4 8845 B18R1.1261 C#CCCCCCCCOCCC1CCCCC1 7a_100011217863_100153394163 [0,1,0,1,0,0|1,0,1]=4 8846 B18R1.1261 C#CCCCCCCNCCCC1CCCCC1 2230a_100011211642_100012276617 [0,1,0,1,0,0|1,0,1]=4 8847 B18R1.1261 C#CCCCCCCNCCCC1CCCCC1 34a_100011211642_100012276617 [0,1,0,1,0,0|1,0,1]=4 8848 B18R1.1261 C#CCCCCCCOCCCC1CCCCC1 34a_100000198086_100012276617 [0,1,0,1,0,0|1,0,1]=4 8849 B18R1.1261 C#CCCCCCCOCCCC1CCCCC1 34a_100011217361_100011713725 [0,1,0,1,0,0|1,0,1]=4 8850 B18R1.1261 C#CCCCCCCOCCCC1CCCCC1 7a_100000198086_100012276617 [0,1,0,1,0,0|1,0,1]=4 8851 B18R1.1261 C#CCCCCCCOCCCC1CCCCC1 7a_100011217361_100011713725 [0,1,0,1,0,0|1,0,1]=4 8852 B18R1.1261 C#CCCCCCOCCCCC1CCCCC1 34a_100011215267_100012094781 [0,1,0,1,0,0|1,0,1]=4 8853 B18R1.1261 C#CCCCCCOCCCCC1CCCCC1 7a_100011215267_100012094781 [0,1,0,1,0,0|1,0,1]=4 8854 B18R1.1261 C=CCCCCCCCCCCN1CCCOC1 2230a_100000131196_100011093070 [0,1,0,1,0,0|2,0,0]=4 8855 B18R1.1261 C=CCCCCCCCCCCN1CCCOC1 269982a_100000131196_100011093070 [0,1,0,1,0,0|2,0,0]=4 8856 B18R1.1261 C=CCCCCCCCCCCN1CCCOC1 34a_100000131196_100011093070 [0,1,0,1,0,0|2,0,0]=4 8857 B18R1.1261 C=CCCCCCCCCCCN1CCOCC1 2230a_100015191051_100011093070 [0,1,0,1,0,0|2,0,0]=4 8858 B18R1.1261 C=CCCCCCCCCCCN1CCOCC1 269982a_100015191051_100011093070 [0,1,0,1,0,0|2,0,0]=4 8859 B18R1.1261 C=CCCCCCCCCCCN1CCOCC1 34a_100015191051_100011093070 [0,1,0,1,0,0|2,0,0]=4 8860 B18R1.1261 C=CCCCCCCCCCCN1CCSCC1 2230a_100000737611_100011093070 [0,1,0,1,0,0|2,0,0]=4 8861 B18R1.1261 C=CCCCCCCCCCCN1CCSCC1 269982a_100000737611_100011093070 [0,1,0,1,0,0|2,0,0]=4 8862 B18R1.1261 C=CCCCCCCCCCNC1CCCOC1 2230a_100000719290_100009814027 [0,1,0,1,0,0|2,0,0]=4 8863 B18R1.1261 C=CCCCCCCCCCNC1CCCOC1 270004a_100000081888_100000753404 [0,1,0,1,0,0|2,0,0]=4 8864 B18R1.1261 C=CCCCCCCCCCNC1CCCOC1 34a_100000081888_100000693364 [0,1,0,1,0,0|2,0,0]=4 8865 B18R1.1261 C=CCCCCCCCCCNC1CCCOC1 34a_100000719290_100009814027 [0,1,0,1,0,0|2,0,0]=4 8866 B18R1.1261 C=CCCCCCCCCCNC1CCCSC1 270004a_100000081888_100000057913 [0,1,0,1,0,0|2,0,0]=4 8867 B18R1.1261 C=CCCCCCCCCCNC1CCNCC1 270004a_100000081888_100015192401 [0,1,0,1,0,0|2,0,0]=4 8868 B18R1.1261 C=CCCCCCCCCCNC1CCOCC1 2230a_100000741149_100009814027 [0,1,0,1,0,0|2,0,0]=4 8869 B18R1.1261 C=CCCCCCCCCCNC1CCOCC1 270004a_100000081888_100011217826 [0,1,0,1,0,0|2,0,0]=4 8870 B18R1.1261 C=CCCCCCCCCCNC1CCOCC1 34a_100000741149_100009814027 [0,1,0,1,0,0|2,0,0]=4 8871 B18R1.1261 C=CCCCCCCCCCNC1CCSCC1 2230a_100000748639_100009814027 [0,1,0,1,0,0|2,0,0]=4 8872 B18R1.1261 C=CCCCCCCCCCNC1CCSCC1 270004a_100000081888_100000203788 [0,1,0,1,0,0|2,0,0]=4 8873 B18R1.1261 C=CCCCCCCCCCNC1CCSCC1 34a_100000081888_100000069128 [0,1,0,1,0,0|2,0,0]=4 8874 B18R1.1261 C=CCCCCCCCCCNC1CCSCC1 34a_100000748639_100009814027 [0,1,0,1,0,0|2,0,0]=4 8875 B18R1.1261 C=CCCCCCCCCCOC1CCCCO1 34a_100000033831_100009814027 [0,1,0,1,0,0|2,0,0]=4 8876 B18R1.1261 C=CCCCCCCCCCOC1CCCOC1 34a_100000038209_100000693364 [0,1,0,1,0,0|2,0,0]=4 8877 B18R1.1261 C=CCCCCCCCCCOC1CCCOC1 34a_100000754041_100009814027 [0,1,0,1,0,0|2,0,0]=4 8878 B18R1.1261 C=CCCCCCCCCCOC1CCCOC1 7a_100000038209_100000693364 [0,1,0,1,0,0|2,0,0]=4 8879 B18R1.1261 C=CCCCCCCCCCOC1CCOCC1 34a_100000744328_100009814027 [0,1,0,1,0,0|2,0,0]=4 8880 B18R1.1261 C=CCCCCCCCCCOC1CCOCC1 7a_100000038209_100000686592 [0,1,0,1,0,0|2,0,0]=4 8881 B18R1.1261 C=CCCCCCCCCNCC1CCCCO1 2230a_100000174945_100011933949 [0,1,0,1,0,0|2,0,0]=4 8882 B18R1.1261 C=CCCCCCCCCNCC1CCCCO1 34a_100000174945_100011933949 [0,1,0,1,0,0|2,0,0]=4 8883 B18R1.1261 C=CCCCCCCCCNCC1CCCOC1 2230a_100000720124_100011933949 [0,1,0,1,0,0|2,0,0]=4 8884 B18R1.1261 C=CCCCCCCCCNCC1CCCOC1 34a_100000720124_100011933949 [0,1,0,1,0,0|2,0,0]=4 8885 B18R1.1261 C=CCCCCCCCCNCC1CCOCC1 2230a_100000746373_100011933949 [0,1,0,1,0,0|2,0,0]=4 8886 B18R1.1261 C=CCCCCCCCCNCC1CCOCC1 34a_100000746373_100011933949 [0,1,0,1,0,0|2,0,0]=4 8887 B18R1.1261 C=CCCCCCCCCNCC1CCSCC1 2230a_100015188806_100011933949 [0,1,0,1,0,0|2,0,0]=4 8888 B18R1.1261 C=CCCCCCCCCNCC1CCSCC1 34a_100015188806_100011933949 [0,1,0,1,0,0|2,0,0]=4 8889 B18R1.1261 C=CCCCCCCCCOCC1CCCCN1 34a_100000210821_100011933949 [0,1,0,1,0,0|2,0,0]=4 8890 B18R1.1261 C=CCCCCCCCCOCC1CCCCO1 34a_100000211370_100011933949 [0,1,0,1,0,0|2,0,0]=4 8891 B18R1.1261 C=CCCCCCCCCOCC1CCCCO1 34a_100011215194_100000211543 [0,1,0,1,0,0|2,0,0]=4 8892 B18R1.1261 C=CCCCCCCCCOCC1CCCCO1 7a_100000211370_100011933949 [0,1,0,1,0,0|2,0,0]=4 8893 B18R1.1261 C=CCCCCCCCCOCC1CCCCO1 7a_100011215194_100000211543 [0,1,0,1,0,0|2,0,0]=4 8894 B18R1.1261 C=CCCCCCCCCOCC1CCCNC1 34a_100000211344_100011933949 [0,1,0,1,0,0|2,0,0]=4 8895 B18R1.1261 C=CCCCCCCCCOCC1CCCOC1 34a_100000741520_100011933949 [0,1,0,1,0,0|2,0,0]=4 8896 B18R1.1261 C=CCCCCCCCCOCC1CCCOC1 34a_100011215194_100000741521 [0,1,0,1,0,0|2,0,0]=4 8897 B18R1.1261 C=CCCCCCCCCOCC1CCCOC1 7a_100011215194_100000741521 [0,1,0,1,0,0|2,0,0]=4 8898 B18R1.1261 C=CCCCCCCCCOCC1CCNCC1 34a_100000738675_100011933949 [0,1,0,1,0,0|2,0,0]=4 8899 B18R1.1261 C=CCCCCCCCCOCC1CCOCC1 34a_100000749013_100011933949 [0,1,0,1,0,0|2,0,0]=4 8900 B18R1.1261 C=CCCCCCCCCOCC1CCOCC1 34a_100011215194_100000754603 [0,1,0,1,0,0|2,0,0]=4 8901 B18R1.1261 C=CCCCCCCCCOCC1CCOCC1 7a_100011215194_100000754603 [0,1,0,1,0,0|2,0,0]=4 8902 B18R1.1261 C=CCCCCCCCNCCC1CCCCO1 2230a_100015183643_100012355270 [0,1,0,1,0,0|2,0,0]=4 8903 B18R1.1261 C=CCCCCCCCNCCC1CCCCO1 34a_100015183643_100012355270 [0,1,0,1,0,0|2,0,0]=4 8904 B18R1.1261 C=CCCCCCCCNCCC1CCOCC1 2230a_100000755988_100012355270 [0,1,0,1,0,0|2,0,0]=4 8905 B18R1.1261 C=CCCCCCCCNCCC1CCOCC1 34a_100000755988_100012355270 [0,1,0,1,0,0|2,0,0]=4 8906 B18R1.1261 C=CCCCCCCCOCCC1CCCCN1 34a_100000211664_100012355270 [0,1,0,1,0,0|2,0,0]=4 8907 B18R1.1261 C=CCCCCCCCOCCC1CCCNC1 34a_100000752241_100012355270 [0,1,0,1,0,0|2,0,0]=4 8908 B18R1.1261 C=CCCCCCCCOCCC1CCNCC1 34a_100015190746_100012355270 [0,1,0,1,0,0|2,0,0]=4 8909 B18R1.1261 C=CCCCCCCCOCCC1CCOCC1 34a_100000730831_100011934994 [0,1,0,1,0,0|2,0,0]=4 8910 B18R1.1261 C=CCCCCCCCOCCC1CCOCC1 34a_100011933979_100012355270 [0,1,0,1,0,0|2,0,0]=4 8911 B18R1.1261 C=CCCCCCCCOCCC1CCOCC1 7a_100000730831_100011934994 [0,1,0,1,0,0|2,0,0]=4 8912 B18R1.1261 C=CCCCCCCCOCCC1CCOCC1 7a_100011933979_100012355270 [0,1,0,1,0,0|2,0,0]=4 8913 B18R1.1261 C=CCCCCCCCOCCN1CCCCC1 34a_100000730831_100000739454 [0,1,0,1,0,0|2,0,0]=4 8914 B18R1.1261 C=CCCCCCCCOCCN1CCCCC1 7a_100000730831_100000739454 [0,1,0,1,0,0|2,0,0]=4 8915 B18R1.1261 C=CCCCCCCCOCOC1CCCCC1 34a_100000730831_100011935260 [0,1,0,1,0,0|2,0,0]=4 8916 B18R1.1261 C=CCCCCCCCOCOC1CCCCC1 7a_100000730831_100011935260 [0,1,0,1,0,0|2,0,0]=4 8917 B18R1.1261 C=CCCCCCCCSCCN1CCCCC1 62a_100000739454_100012355270 [0,1,0,1,0,0|2,0,0]=4 8918 B18R1.1261 C=CCCCCCCCSCCN1CCCCC1 62a_100012355270_100000739454 [0,1,0,1,0,0|2,0,0]=4 8919 B18R1.1261 C=CCCCCCCNCCOC1CCCCC1 34a_100015206981_100011215473 [0,1,0,1,0,0|2,0,0]=4 8920 B18R1.1261 C=CCCCCCCOCCCC1CCCCN1 34a_100011934581_100011215473 [0,1,0,1,0,0|2,0,0]=4 8921 B18R1.1261 C=CCCCCCCOCCCC1CCCNC1 34a_100150707839_100011215473 [0,1,0,1,0,0|2,0,0]=4 8922 B18R1.1261 C=CCCCCCCOCCCC1CCNCC1 34a_100016988962_100011215473 [0,1,0,1,0,0|2,0,0]=4 8923 B18R1.1261 C=CCCCCCCOCCCN1CCCCC1 34a_100000212458_100011215473 [0,1,0,1,0,0|2,0,0]=4 8924 B18R1.1261 C=CCCCCCCOCCCN1CCCCC1 34a_200011216477_100000690320 [0,1,0,1,0,0|2,0,0]=4 8925 B18R1.1261 C=CCCCCCCOCCCN1CCCCC1 7a_200011216477_100000007876 [0,1,0,1,0,0|2,0,0]=4 8926 B18R1.1261 C=CCCCCCCOCCNC1CCCCC1 34a_100000200466_100011215473 [0,1,0,1,0,0|2,0,0]=4 8927 B18R1.1261 C=CCCCCCCOCCOC1CCCCC1 34a_100011249652_100011215473 [0,1,0,1,0,0|2,0,0]=4 8928 B18R1.1261 C=CCCCCCCOCCOC1CCCCC1 34a_200011216477_100011211530 [0,1,0,1,0,0|2,0,0]=4 8929 B18R1.1261 C=CCCCCCCOCCOC1CCCCC1 7a_100011249652_100011215473 [0,1,0,1,0,0|2,0,0]=4 8930 B18R1.1261 C=CCCCCCCOCCOC1CCCCC1 7a_200011216477_100011211530 [0,1,0,1,0,0|2,0,0]=4 8931 B18R1.1261 C=CCCCCCCSCCCN1CCCCC1 62a_100011215473_100000007876 [0,1,0,1,0,0|2,0,0]=4 8932 B18R1.1261 C=CCCCCCCSCCCN1CCCCC1 62a_100132302099_100011215473 [0,1,0,1,0,0|2,0,0]=4 8933 B18R1.1261 C=CCCCCCNCCCOC1CCCCC1 34a_100000205933_100000700193 [0,1,0,1,0,0|2,0,0]=4 8934 B18R1.1261 C=CCCCCCOCCCCC1CCNCC1 34a_100016989291_100000700193 [0,1,0,1,0,0|2,0,0]=4 8935 B18R1.1261 C=CCCCCOCCCCCN1CCCCC1 34a_100011216611_100011215482 [0,1,0,1,0,0|2,0,0]=4 8936 B18R1.1261 C=CCCCCOCCCCCN1CCCCC1 7a_100011216611_100011215482 [0,1,0,1,0,0|2,0,0]=4 8937 B18R1.1261 CCCCCCCCCCCCN1CCCOC1 2230a_100000131196_100011215052 [0,1,0,1,0,0|2,0,0]=4 8938 B18R1.1261 CCCCCCCCCCCCN1CCCOC1 269982a_100000131196_100000759014 [0,1,0,1,0,0|2,0,0]=4 8939 B18R1.1261 CCCCCCCCCCCCN1CCCOC1 270004a_100000131196_100011218549 [0,1,0,1,0,0|2,0,0]=4 8940 B18R1.1261 CCCCCCCCCCCCN1CCCOC1 34a_100000131196_100000759014 [0,1,0,1,0,0|2,0,0]=4 8941 B18R1.1261 CCCCCCCCCCCNC1CCCOC1 2230a_100000719290_100011215454 [0,1,0,1,0,0|2,0,0]=4 8942 B18R1.1261 CCCCCCCCCCCNC1CCCOC1 270004a_200011215754_100000753404 [0,1,0,1,0,0|2,0,0]=4 8943 B18R1.1261 CCCCCCCCCCCNC1CCCOC1 34a_100000719290_100011215454 [0,1,0,1,0,0|2,0,0]=4 8944 B18R1.1261 CCCCCCCCCCCNC1CCCOC1 34a_200011215754_100000693364 [0,1,0,1,0,0|2,0,0]=4 8945 B18R1.1261 CCCCCCCCCCCOC1CCCOC1 34a_100000210809_100000693364 [0,1,0,1,0,0|2,0,0]=4 8946 B18R1.1261 CCCCCCCCCCCOC1CCCOC1 34a_100000754041_100011215454 [0,1,0,1,0,0|2,0,0]=4 8947 B18R1.1261 CCCCCCCCCCCOC1CCCOC1 7a_100000210809_100000693364 [0,1,0,1,0,0|2,0,0]=4 8948 B18R1.1261 CCCCCCCCCCNCC1CCCCO1 2230a_100000174945_100000210320 [0,1,0,1,0,0|0,0,2]=4 8949 B18R1.1261 CCCCCCCCCCNCC1CCCCO1 2230a_100000684558_100000211543 [0,1,0,1,0,0|0,0,2]=4 8950 B18R1.1261 CCCCCCCCCCNCC1CCCCO1 34a_100000174945_100000210320 [0,1,0,1,0,0|0,0,2]=4 8951 B18R1.1261 CCCCCCCCCCNCC1CCCCO1 34a_100000684558_100000211543 [0,1,0,1,0,0|0,0,2]=4 8952 B18R1.1261 CCCCCCCCCCNCC1CCCOC1 2230a_100000684558_100000741521 [0,1,0,1,0,0|2,0,0]=4 8953 B18R1.1261 CCCCCCCCCCNCC1CCCOC1 2230a_100000720124_100000210320 [0,1,0,1,0,0|2,0,0]=4 8954 B18R1.1261 CCCCCCCCCCNCC1CCCOC1 34a_100000684558_100000741521 [0,1,0,1,0,0|2,0,0]=4 8955 B18R1.1261 CCCCCCCCCCNCC1CCCOC1 34a_100000720124_100000210320 [0,1,0,1,0,0|2,0,0]=4 8956 B18R1.1261 CCCCCCCCCCOCC1CCC=CO1 34a_100011217868_100000210320 [0,1,0,1,0,0|0,0,2]=4 8957 B18R1.1261 CCCCCCCCCCOCC1CCCCN1 34a_100000210821_100000210320 [0,1,0,1,0,0|1,0,1]=4 8958 B18R1.1261 CCCCCCCCCCOCC1CCCCO1 34a_100000210711_100000211543 [0,1,0,1,0,0|0,0,2]=4 8959 B18R1.1261 CCCCCCCCCCOCC1CCCCO1 34a_100000211370_100000210320 [0,1,0,1,0,0|0,0,2]=4 8960 B18R1.1261 CCCCCCCCCCOCC1CCCCO1 7a_100000210711_100000211543 [0,1,0,1,0,0|0,0,2]=4 8961 B18R1.1261 CCCCCCCCCCOCC1CCCCO1 7a_100000211370_100000210320 [0,1,0,1,0,0|0,0,2]=4 8962 B18R1.1261 CCCCCCCCCCOCC1CCCNC1 34a_100000211344_100000210320 [0,1,0,1,0,0|2,0,0]=4 8963 B18R1.1261 CCCCCCCCCCOCC1CCCOC1 34a_100000210711_100000741521 [0,1,0,1,0,0|2,0,0]=4 8964 B18R1.1261 CCCCCCCCCCOCC1CCCOC1 34a_100000741520_100000210320 [0,1,0,1,0,0|2,0,0]=4 8965 B18R1.1261 CCCCCCCCCCOCC1CCCOC1 7a_100000210711_100000741521 [0,1,0,1,0,0|2,0,0]=4 8966 B18R1.1261 CCCCCCCCCNCCC1CCCCO1 2230a_100015183643_100011214924 [0,1,0,1,0,0|0,0,2]=4 8967 B18R1.1261 CCCCCCCCCNCCC1CCCCO1 34a_100015183643_100011214924 [0,1,0,1,0,0|0,0,2]=4 8968 B18R1.1261 CCCCCCCCCOCCC1CCCCN1 34a_100000211664_100011214924 [0,1,0,1,0,0|1,0,1]=4 8969 B18R1.1261 CCCCCCCCCOCCC1CCCNC1 34a_100000752241_100011214924 [0,1,0,1,0,0|2,0,0]=4 8970 B18R1.1261 CCCCCCCCOCCCC1CCCCN1 34a_100011934581_100000210759 [0,1,0,1,0,0|1,0,1]=4 8971 B18R1.1261 CCCCCCCCOCCCC1CCCNC1 34a_100150707839_100000210759 [0,1,0,1,0,0|2,0,0]=4 8972 B18R1.1261 COCCCCCCNCCCC1CCCCC1 2230a_100011211642_100011998445 [0,1,0,1,0,0|2,0,0]=4 8973 B18R1.1261 COCCCCCCNCCCC1CCCCC1 34a_100011211642_100011998445 [0,1,0,1,0,0|2,0,0]=4 8974 B18R1.1261 COCCCCCCOCCCC1CCCCC1 34a_100000198086_100011998445 [0,1,0,1,0,0|2,0,0]=4 8975 B18R1.1261 COCCCCCCOCCCC1CCCCC1 34a_200012092642_100011713725 [0,1,0,1,0,0|2,0,0]=4 8976 B18R1.1261 COCCCCCCOCCCC1CCCCC1 7a_100000198086_100011998445 [0,1,0,1,0,0|2,0,0]=4 8977 B18R1.1261 COCCCCCCOCCCC1CCCCC1 7a_200012092642_100011713725 [0,1,0,1,0,0|2,0,0]=4 8978 B18R1.1261 N#CCCCCCCNCCCC1CCCCC1 2230a_100011211642_100009813337 [0,1,0,1,0,0|1,0,1]=4 8979 B18R1.1261 N#CCCCCCCOCCCC1CCCCC1 7a_100000198086_100009813337 [0,1,0,1,0,0|1,0,1]=4 8980 B18R1.1261 N#CCCCCCOCCCCC1CCCCC1 7a_100011215267_100009813376 [0,1,0,1,0,0|1,0,1]=4 8981 B18R1.1261 NCCCCCCCCCCOC1CCCCC1 34a_100000066964_100000210327 [0,1,0,1,0,0|1,0,1]=4 8982 B18R1.1261 NCCCCCCCCCOCC1CCCCC1 34a_100000078944_100000211423 [0,1,0,1,0,0|1,0,1]=4 8983 B18R1.1261 NCCCCCCCCOCCC1CCCCC1 34a_102515433106_100011209188 [0,1,0,1,0,0|1,0,1]=4 8984 B18R1.1261 NCCCCCCCOCCCC1CCCCC1 34a_100011996573_100011713725 [0,1,0,1,0,0|1,0,1]=4 8985 B18R1.1261 O=CCCCCCOCCCCC1CCCCC1 7a_100011215267_100000139337 [0,1,0,1,0,0|0,0,0]=2 8986 B18R1.1261 O=CCCCCCSCCCOC1CCCCO1 62a_100000139337_100000700653 [0,1,0,1,0,0|2,0,0]=4 8987 B18R1.1261 O=CCCCCCSCCCOC1CCCCO1 62a_100000700653_100000139337 [0,1,0,1,0,0|2,0,0]=4 8988 B18R1.1261 O=CCCCCNCCCCCN1CCOCC1 2230a_100015187005_100000139335 [0,1,0,1,0,0|2,0,0]=4 8989 B18R1.1261 O=CCCCCOCCCCCN1CCCCC1 7a_100011216611_100000139335 [0,1,0,1,0,0|1,0,0]=3 8990 B18R1.1261 O=CCCCCOCCOCCN1CCCCC1 7a_200011409831_100000139335 [0,1,0,1,0,0|2,0,0]=4 8991 B18R1.1261 O=CCCCCSCCCCOC1CCCCO1 62a_100000031530_100000139335 [0,1,0,1,0,0|2,0,0]=4 8992 B18R1.1261 O=CCCCCSCCCCOC1CCCCO1 62a_100000139335_100000031530 [0,1,0,1,0,0|2,0,0]=4 8993 B18R1.1261 OCCCCCCCCCCNC1C=CCCC1 2230a_100000066964_100000751183 [0,1,0,1,0,0|2,0,0]=4 8994 B18R1.1261 OCCCCCCCCCCNC1CCCCC1 2230a_100000182618_100009813290 [0,1,0,1,0,0|0,0,2]=4 8995 B18R1.1261 OCCCCCCCCCCNC1CCCCC1 270004a_100000066964_100000210434 [0,1,0,1,0,0|0,0,2]=4 8996 B18R1.1261 OCCCCCCCCCCNC1CCCCC1 34a_100000066964_100000210327 [0,1,0,1,0,0|0,0,2]=4 8997 B18R1.1261 OCCCCCCCCCCNC1CCCCC1 34a_100000182618_100009813290 [0,1,0,1,0,0|0,0,2]=4 8998 B18R1.1261 OCCCCCCCCCCOC1C=CCCC1 34a_100011215024_100009813290 [0,1,0,1,0,0|2,0,0]=4 8999 B18R1.1261 OCCCCCCCCCCOC1CCCCC1 34a_100000210231_100009813290 [0,1,0,1,0,0|0,0,2]=4 9000 B18R1.1261 OCCCCCCCCCCOC1CCCCC1 7a_100000210231_100009813290 [0,1,0,1,0,0|0,0,2]=4 9001 B18R1.1261 OCCCCCCCCCCSC1C=CCCC1 62a_100000751183_200000033068 [0,1,0,1,0,0|2,0,0]=4 9002 B18R1.1261 OCCCCCCCCCCSC1C=CCCC1 62a_100009813290_100000751183 [0,1,0,1,0,0|2,0,0]=4 9003 B18R1.1261 OCCCCCCCCCNCC1CCCCC1 2230a_100000078944_100000211423 [0,1,0,1,0,0|0,0,2]=4 9004 B18R1.1261 OCCCCCCCCCNCC1CCCCC1 2230a_100000210473_100009813782 [0,1,0,1,0,0|0,0,2]=4 9005 B18R1.1261 OCCCCCCCCCNCC1CCCCC1 269862a_100000078944_100000211278 [0,1,0,1,0,0|0,0,2]=4 9006 B18R1.1261 OCCCCCCCCCNCC1CCCCC1 34a_100000078944_100000211423 [0,1,0,1,0,0|0,0,2]=4 9007 B18R1.1261 OCCCCCCCCCNCC1CCCCC1 34a_100000210473_100009813782 [0,1,0,1,0,0|0,0,2]=4 9008 B18R1.1261 OCCCCCCCCCOCC1CCCCC1 34a_100000212181_100009813782 [0,1,0,1,0,0|0,0,2]=4 9009 B18R1.1261 OCCCCCCCCCOCC1CCCCC1 7a_100000212181_100009813782 [0,1,0,1,0,0|0,0,2]=4 9010 B18R1.1261 OCCCCCCCCNCCC1CCCCC1 2230a_100000738074_100000033203 [0,1,0,1,0,0|0,0,2]=4 9011 B18R1.1261 OCCCCCCCCNCCC1CCCCC1 2230a_102515433106_100012355289 [0,1,0,1,0,0|0,0,2]=4 9012 B18R1.1261 OCCCCCCCCNCCC1CCCCC1 270004a_102515433106_100011713444 [0,1,0,1,0,0|0,0,2]=4 9013 B18R1.1261 OCCCCCCCCNCCC1CCCCC1 34a_100000738074_100000033203 [0,1,0,1,0,0|0,0,2]=4 9014 B18R1.1261 OCCCCCCCCNCCC1CCCCC1 34a_102515433106_100011209188 [0,1,0,1,0,0|0,0,2]=4 9015 B18R1.1261 OCCCCCCCCOCCC1CCCCC1 34a_100011217863_100000033203 [0,1,0,1,0,0|0,0,2]=4 9016 B18R1.1261 OCCCCCCCCOCCC1CCCCC1 7a_100011217863_100000033203 [0,1,0,1,0,0|0,0,2]=4 9017 B18R1.1261 OCCCCCCCNCCCC1CCCCC1 2230a_100011211642_100000760002 [0,1,0,1,0,0|0,0,2]=4 9018 B18R1.1261 OCCCCCCCNCCCC1CCCCC1 2230a_100011996573_100011713725 [0,1,0,1,0,0|0,0,2]=4 9019 B18R1.1261 OCCCCCCCNCCCC1CCCCC1 34a_100011211642_100000760002 [0,1,0,1,0,0|0,0,2]=4 9020 B18R1.1261 OCCCCCCCNCCCC1CCCCC1 34a_100011996573_100011713725 [0,1,0,1,0,0|0,0,2]=4 9021 B18R1.1261 OCCCCCCCOCCCC1CCCCC1 34a_100000198086_100000760002 [0,1,0,1,0,0|0,0,2]=4 9022 B18R1.1261 OCCCCCCCOCCCC1CCCCC1 7a_100000198086_100000760002 [0,1,0,1,0,0|0,0,2]=4 9023 B18R1.1261 OCCCCCCOCCCCC1CCCCC1 34a_100011215267_100000766143 [0,1,0,1,0,0|0,0,2]=4 9024 B18R1.1261 OCCCCCCOCCCCC1CCCCC1 7a_100011215267_100000766143 [0,1,0,1,0,0|0,0,2]=4 9025 B18R1.1280 C#CCCCCCCCOC1CCCCCC1=O 7a_100000054614_100000243696 [0,1,0,1,0,0|0,0,2]=4 9026 B18R1.1280 C#CCCCCCCCSC1CCCCCC1=O 62a_100000243696_100153394163 [0,1,0,1,0,0|0,0,2]=4 9027 B18R1.1280 C#CCCCCCCCSC1CCCCCC1=O 62a_100153394163_100000243696 [0,1,0,1,0,0|0,0,2]=4 9028 B18R1.1280 C=CCCCCCCCOC1CCCCCC1=O 7a_100000730831_100000243696 [0,1,0,1,0,0|0,0,2]=4 9029 B18R1.1280 CC/C=C\CCCCCOC1CCCCCC1=O 7a_100016268722_100000243696 [0,1,0,1,0,0|0,0,2]=4 9030 B18R1.1280 CCCCC#CCCCSC1CCCCCC1=O 62a_100000243696_200000047210 [0,1,0,1,0,0|0,0,2]=4 9031 B18R1.1280 CCCCC#CCCCSC1CCCCCC1=O 62a_200000047210_100000243696 [0,1,0,1,0,0|0,0,2]=4 9032 B18R1.1280 CCCCC/C=C\CCOC1CCCCCC1=O 7a_100016277358_100000243696 [0,1,0,1,0,0|0,0,2]=4 9033 B18R1.1280 CCCCCC#CCCOC1CCCCCC1=O 7a_200000042877_100000243696 [0,1,0,1,0,0|0,0,2]=4 9034 B18R1.1280 CCCCCC/C=C/COC1CCCCCC1=O 7a_200016276170_100000243696 [0,1,0,1,0,0|0,0,2]=4 9035 B18R1.1280 CCCCCCC#CCOC1CCCCCC1=O 7a_200000037284_100000243696 [0,1,0,1,0,0|0,0,2]=4 9036 B18R1.1280 CCCCCCCCCNC1CCCCNC1=O 2230a_100000212291_100000735217 [0,1,0,1,0,0|1,0,0]=3 9037 B18R1.1280 CCCCCCCCCNC1CCCCNC1=O 2230a_100000698827_100011214924 [0,1,0,1,0,0|1,0,0]=3 9038 B18R1.1280 CCCCCCCCCNC1CCCCNC1=O 34a_100000698827_100011214924 [0,1,0,1,0,0|1,0,0]=3 9039 B18R1.1280 CCCCCCCCCOC1CCCCCC1=O 7a_100000210712_100000243696 [0,1,0,1,0,0|0,0,0]=2 9040 B18R1.1280 CCCCCCCCCOC1CCCCNC1=O 7a_100000210712_100000735217 [0,1,0,1,0,0|1,0,0]=3 9041 B18R1.1280 CCCCCCCCCSC1CCCCNC1=O 62a_100000735217_100000210670 [0,1,0,1,0,0|1,0,0]=3 9042 B18R1.1280 CCCCCCNCCCN1CCCCCC1=O 2230a_100000195386_100000210314 [0,1,0,1,0,0|1,0,0]=3 9043 B18R1.1280 CCCCCCNCCCN1CCCCCC1=O 34a_100000195386_100000210314 [0,1,0,1,0,0|1,0,0]=3 9044 B18R1.1280 CCCCCCOCCOC1CCCCCC1=O 7a_100000691444_100000243696 [0,1,0,1,0,0|1,0,0]=3 9045 B18R1.1280 CCCCCCOCCOC1CCCCNC1=O 7a_100000691444_100000735217 [0,1,0,1,0,0|2,0,0]=4 9046 B18R1.1280 CCCCOCCCCOC1CCCCCC1=O 7a_200000760531_100000243696 [0,1,0,1,0,0|1,0,0]=3 9047 B18R1.1280 CCCCOCCCCOC1CCCCNC1=O 7a_200000760531_100000735217 [0,1,0,1,0,0|2,0,0]=4 9048 B18R1.1280 CCCCOCNCCCN1CCCCCC1=O 2230a_100000195386_100011995733 [0,1,0,1,0,0|2,0,0]=4 9049 B18R1.1280 CCCCOCNCCCN1CCCCCC1=O 34a_100000195386_100011995733 [0,1,0,1,0,0|2,0,0]=4 9050 B18R1.1280 CCCOCCNCCCN1CCCCCC1=O 2230a_100000195386_100011215938 [0,1,0,1,0,0|2,0,0]=4 9051 B18R1.1280 CCCOCCNCCCN1CCCCCC1=O 34a_100000195386_100011215938 [0,1,0,1,0,0|2,0,0]=4 9052 B18R1.1280 CCOCCCNCCCN1CCCCCC1=O 2230a_100000195386_100012232248 [0,1,0,1,0,0|2,0,0]=4 9053 B18R1.1280 CCOCCCNCCCN1CCCCCC1=O 34a_100000195386_100012232248 [0,1,0,1,0,0|2,0,0]=4 9054 B18R1.1280 COCCCCNCCCN1CCCCCC1=O 2230a_100000195386_100000730899 [0,1,0,1,0,0|2,0,0]=4 9055 B18R1.1280 COCCCCNCCCN1CCCCCC1=O 34a_100000195386_100000755781 [0,1,0,1,0,0|2,0,0]=4 9056 B18R1.1280 COCCCOCCCOC1CCCCCC1=O 7a_200011215475_100000243696 [0,1,0,1,0,0|2,0,0]=4 9057 B18R1.1280 O=C1CCCCCC1OCCCCCCCCBr 7a_100009813846_100000243696 [0,1,0,1,0,0|1,0,0]=3 9058 B18R1.1280 O=C1CCCCCC1OCCCCCCCCCl 7a_100000033203_100000243696 [0,1,0,1,0,0|1,0,0]=3 9059 B18R1.1280 O=C1CCCCCC1SCCCCCCCCO 62a_100000033203_100000243696 [0,1,0,1,0,0|1,0,0]=3 9060 B18R1.1280 O=C1CCCCCC1SCCCCCCCCO 62a_100000243696_100000033203 [0,1,0,1,0,0|1,0,0]=3 9061 B18R1.1280 O=C1CCCCCN1CCCNCCCCCF 2230a_100000195386_100000729378 [0,1,0,1,0,0|2,0,0]=4 9062 B18R1.1280 O=C1CCCCCN1CCCNCCCCCF 34a_100000195386_100000729378 [0,1,0,1,0,0|2,0,0]=4 9063 B18R1.1280 O=C1CCCCCN1CCCNCCCCCO 2230a_100000195386_100000746330 [0,1,0,1,0,0|2,0,0]=4 9064 B18R1.1280 O=C1CCCCCN1CCCNCCCCCO 34a_100000195386_100000746330 [0,1,0,1,0,0|2,0,0]=4 9065 B18R1.1280 O=C1NCCCCC1NCCCCCCCCO 2230a_100000698827_100000033203 [0,1,0,1,0,0|2,0,0]=4 9066 B18R1.1280 O=C1NCCCCC1NCCCCCCCCO 2230a_102515433106_100000735217 [0,1,0,1,0,0|2,0,0]=4 9067 B18R1.1280 O=C1NCCCCC1NCCCCCCCCO 34a_100000698827_100000033203 [0,1,0,1,0,0|2,0,0]=4 9068 B18R1.1280 O=C1NCCCCC1OCCCCCCCCBr 7a_100009813846_100000735217 [0,1,0,1,0,0|2,0,0]=4 9069 B18R1.1280 O=C1NCCCCC1OCCCCCCCCCl 7a_100000033203_100000735217 [0,1,0,1,0,0|2,0,0]=4 9070 B18R1.1280 O=C1NCCCCC1SCCCCCCCCO 62a_100000033203_100000735217 [0,1,0,1,0,0|2,0,0]=4 9071 B18R1.1280 O=C1NCCCCC1SCCCCCCCCO 62a_100000735217_100000033203 [0,1,0,1,0,0|2,0,0]=4 9072 B18R1.4113 C#CC1CCCCN1CCCCCCCCCC 2230a_200020621307_100000210320 [0,1,0,1,0,0|1,0,1]=4 9073 B18R1.4113 C#CC1CCCCN1CCCCCCCCCC 269982a_200020621307_100000210320 [0,1,0,1,0,0|1,0,1]=4 9074 B18R1.4113 C#CC1CCCCN1CCCCCCCCCC 34a_200020621307_100000210320 [0,1,0,1,0,0|1,0,1]=4 9075 B18R1.4113 C#CCCCCCCCOC1CCCCC1CC 34a_100000210738_100153394163 [0,1,0,1,0,0|1,0,1]=4 9076 B18R1.4113 C#CCCCCCCCOC1CCCCC1CC 7a_100000210738_100153394163 [0,1,0,1,0,0|1,0,1]=4 9077 B18R1.4113 C=CCCCCCCCCN1CCCCC1CO 2230a_100000210821_100011933949 [0,1,0,1,0,0|2,0,0]=4 9078 B18R1.4113 C=CCCCCCCCCN1CCCCC1CO 269982a_100000210821_100011933949 [0,1,0,1,0,0|2,0,0]=4 9079 B18R1.4113 C=CCCCCCCCCN1CCCCC1CO 34a_100000210821_100011933949 [0,1,0,1,0,0|2,0,0]=4 9080 B18R1.4113 C=CCCCCCCCCN1CCOC[C@@H]1CC 2230a_100016988097_100011933949 [0,1,0,1,0,0|2,0,0]=4 9081 B18R1.4113 C=CCCCCCCCCN1CCOC[C@@H]1CC 269982a_100016988097_100011933949 [0,1,0,1,0,0|2,0,0]=4 9082 B18R1.4113 C=CCCCCCCCCN1CCOC[C@@H]1CC 34a_100016988097_100011933949 [0,1,0,1,0,0|2,0,0]=4 9083 B18R1.4113 C=CCCCCCCCNC1CCCCC1OC 34a_100011208099_100012355270 [0,1,0,1,0,0|2,0,0]=4 9084 B18R1.4113 C=CCCCCCCCOC1CCCCC1CN 34a_100011216029_100012355270 [0,1,0,1,0,0|2,0,0]=4 9085 B18R1.4113 C=CCCCCCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100012355270 [0,1,0,1,0,0|2,0,0]=4 9086 B18R1.4113 C=CCCCCCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100012355270 [0,1,0,1,0,0|2,0,0]=4 9087 B18R1.4113 C=CCCCCCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100012355270 [0,1,0,1,0,0|2,0,0]=4 9088 B18R1.4113 C=CCCCCCCNCC1CCCCN1CC 2230a_100000754393_100011215473 [0,1,0,1,0,0|2,0,0]=4 9089 B18R1.4113 C=CCCCCCCNCC1CCCCN1CC 34a_100000754393_100011215473 [0,1,0,1,0,0|2,0,0]=4 9090 B18R1.4113 C=CCCCCCCOCC1CCCCN1CC 34a_100000225091_100011215473 [0,1,0,1,0,0|2,0,0]=4 9091 B18R1.4113 C=CCCCCCCOCC1CCCCN1CC 7a_100000225091_100011215473 [0,1,0,1,0,0|2,0,0]=4 9092 B18R1.4113 C=CCCCCCNCCN1CCCCC1CC 2230a_100000755458_100000700193 [0,1,0,1,0,0|2,0,0]=4 9093 B18R1.4113 C=CCCCCCNCCN1CCCCC1CC 34a_100000755458_100000700193 [0,1,0,1,0,0|2,0,0]=4 9094 B18R1.4113 C=CCCCCNCCCN1CCCCC1CC 34a_100011191702_100011215482 [0,1,0,1,0,0|2,0,0]=4 9095 B18R1.4113 CCC1CCCCC1NCCCCCCCCO 269862a_102515433106_100000757040 [0,1,0,1,0,0|0,0,2]=4 9096 B18R1.4113 CCC1CCCCC1NCCCCCCCCO 270004a_102515433106_100000757040 [0,1,0,1,0,0|0,0,2]=4 9097 B18R1.4113 CCC1CCCCC1OCCCCCCCCO 34a_100000210738_100000033203 [0,1,0,1,0,0|0,0,2]=4 9098 B18R1.4113 CCC1CCCCC1OCCCCCCCCO 7a_100000210738_100000033203 [0,1,0,1,0,0|0,0,2]=4 9099 B18R1.4113 CCC1CCCCN1CCCCCCCCCO 2230a_100000210034_100009813782 [0,1,0,1,0,0|0,0,2]=4 9100 B18R1.4113 CCC1CCCCN1CCCCCCCCCO 269982a_100000210034_100009813782 [0,1,0,1,0,0|0,0,2]=4 9101 B18R1.4113 CCC1CCCCN1CCCCCCCCCO 34a_100000210034_100009813782 [0,1,0,1,0,0|0,0,2]=4 9102 B18R1.4113 CCC1CCCCN1CCNCCCCCC=O 2230a_100000755458_100000139337 [0,1,0,1,0,0|1,0,0]=3 9103 B18R1.4113 CCCCCCCCCCN1CCCCC1C#N 34a_100016989756_100000210320 [0,1,0,1,0,0|1,0,1]=4 9104 B18R1.4113 CCCCCCCCCCN1CCCCC1CO 2230a_100000210821_100000210320 [0,1,0,1,0,0|0,0,2]=4 9105 B18R1.4113 CCCCCCCCCCN1CCCCC1CO 269982a_100000210821_100000210320 [0,1,0,1,0,0|0,0,2]=4 9106 B18R1.4113 CCCCCCCCCCN1CCCCC1CO 34a_100000210821_100000210320 [0,1,0,1,0,0|0,0,2]=4 9107 B18R1.4113 CCCCCCCCCNC1CCCCC1CO 270004a_100000212291_100009861125 [0,1,0,1,0,0|0,0,2]=4 9108 B18R1.4113 CCCCCCCCCNC1CCCCC1OC 270004a_100000212291_100000740605 [0,1,0,1,0,0|2,0,0]=4 9109 B18R1.4113 CCCCCCCCCNC1CCCCC1OC 34a_100011208099_100011214924 [0,1,0,1,0,0|2,0,0]=4 9110 B18R1.4113 CCCCCCCCCOC1CCCCC1CN 34a_100011216029_100011214924 [0,1,0,1,0,0|1,0,1]=4 9111 B18R1.4113 CCCCCCCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100011214924 [0,1,0,1,0,0|2,0,0]=4 9112 B18R1.4113 CCCCCCCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100011214924 [0,1,0,1,0,0|2,0,0]=4 9113 B18R1.4113 CCCCCCCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210328 [0,1,0,1,0,0|2,0,0]=4 9114 B18R1.4113 O=CCCCCCNCCN1CCCCC1CO 2230a_100011473795_100000139337 [0,1,0,1,0,0|2,0,0]=4 9115 B18R1.4120 C=CCCCCCN1CCCCC1CCCOC 2230a_100011804088_100000700193 [0,1,0,1,0,0|2,0,0]=4 9116 B18R1.4120 C=CCCCCCN1CCCCC1CCCOC 269982a_100011804088_100000700193 [0,1,0,1,0,0|2,0,0]=4 9117 B18R1.4120 C=CCCCCCN1CCCCC1CCCOC 34a_100011804088_100000700193 [0,1,0,1,0,0|2,0,0]=4 9118 B18R1.4120 CCCCCCCN1CCCCC1CCCOC 2230a_100011804088_100000210681 [0,1,0,1,0,0|2,0,0]=4 9119 B18R1.4120 CCCCCCCN1CCCCC1CCCOC 269982a_100011804088_100000210681 [0,1,0,1,0,0|2,0,0]=4 9120 B18R1.4120 CCCCCCCN1CCCCC1CCCOC 34a_100011804088_100000210614 [0,1,0,1,0,0|2,0,0]=4 9121 B18R1.4120 COCCCC1CCCCN1CCCCCC=O 2230a_100011804088_100000139337 [0,1,0,1,0,0|1,0,0]=3 9122 B18R1.4120 COCCCC1CCCCN1CCCCCC=O 269982a_100011804088_100000139337 [0,1,0,1,0,0|1,0,0]=3 9123 B18R1.4139 C#CCCCNC1CCCC1CCCCCCC 270004a_100000718082_200011216720 [0,1,0,1,0,0|1,0,1]=4 9124 B18R1.4139 C=COCCCNC1CCCC1CCCCCC 269862a_100000210767_100000189428 [0,1,0,1,0,0|2,0,0]=4 9125 B18R1.4139 C=COCCCNC1CCCC1CCCCCC 270004a_100000210767_100000189428 [0,1,0,1,0,0|2,0,0]=4 9126 B18R1.4139 CCCCCCC1CCCC1NCCCCC#N 270004a_100000751965_100000189428 [0,1,0,1,0,0|1,0,1]=4 9127 B18R1.4139 CCCCCCC1CCCC1NCCCCCO 269862a_100000762737_100000189428 [0,1,0,1,0,0|0,0,2]=4 9128 B18R1.4139 CCCCCCC1CCCC1NCCCCCO 270004a_100000762737_100000189428 [0,1,0,1,0,0|0,0,2]=4 9129 B18R1.4139 CCCCCCCC1CCCC1NCCCCO 269862a_100000750430_200011216720 [0,1,0,1,0,0|0,0,2]=4 9130 B18R1.4139 CCCCCCCC1CCCC1NCCCCO 270004a_100000750430_200011216720 [0,1,0,1,0,0|0,0,2]=4 9131 B18R1.4139 CCCCCCCC1CCCC1NCCCOC 269862a_100150723488_200011216720 [0,1,0,1,0,0|2,0,0]=4 9132 B18R1.4139 CCCCCCCC1CCCC1NCCCOC 270004a_100150723488_200011216720 [0,1,0,1,0,0|2,0,0]=4 9133 B18R1.4139 CCCCCCCC1CCCC1NCCCSC 269862a_100000749238_200011216720 [0,1,0,1,0,0|2,0,0]=4 9134 B18R1.4139 CCCCCCCC1CCCC1NCCCSC 270004a_100000749238_200011216720 [0,1,0,1,0,0|2,0,0]=4 9135 B18R1.5429 C#CCCCCCCCCCCOCC1CCC1 34a_100000054667_100000763275 [0,1,0,1,0,0|1,0,1]=4 9136 B18R1.5429 C#CCCCCCCCCCCOCC1CCC1 7a_100000054667_100000763275 [0,1,0,1,0,0|1,0,1]=4 9137 B18R1.5429 C=CCCCCCCCCCCCNC1COC1 2230a_100016991112_102130925996 [0,1,0,1,0,0|2,0,0]=4 9138 B18R1.5429 C=CCCCCCCCCCCNCC1COC1 2230a_100015281925_100011093070 [0,1,0,1,0,0|2,0,0]=4 9139 B18R1.5429 C=CCCCCCCCCCCNCC1COC1 34a_100015281925_100011093070 [0,1,0,1,0,0|2,0,0]=4 9140 B18R1.5429 C=CCCCCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100011093070 [0,1,0,1,0,0|2,0,0]=4 9141 B18R1.5429 C=CCCCCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100011093070 [0,1,0,1,0,0|2,0,0]=4 9142 B18R1.5429 C=CCCCCCCCCCCOCC1CCO1 34a_100000039022_100011093070 [0,1,0,1,0,0|2,0,0]=4 9143 B18R1.5429 C=CCCCCCCCCCCOCC1CNC1 34a_100016987283_100011093070 [0,1,0,1,0,0|2,0,0]=4 9144 B18R1.5429 C=CCCCCCCCCCCOCC1COC1 34a_100000060846_100011093070 [0,1,0,1,0,0|2,0,0]=4 9145 B18R1.5429 C=CCCCCCCCCCOCCC1COC1 34a_100009855314_100009814027 [0,1,0,1,0,0|2,0,0]=4 9146 B18R1.5429 CCCCCCCCCCCCCNC1COC1 2230a_100016991112_100000210684 [0,1,0,1,0,0|2,0,0]=4 9147 B18R1.5429 CCCCCCCCCCCCCNC1COC1 270004a_100016991112_200011215488 [0,1,0,1,0,0|2,0,0]=4 9148 B18R1.5429 CCCCCCCCCCCCCNC1COC1 34a_100011215765_100009818527 [0,1,0,1,0,0|2,0,0]=4 9149 B18R1.5429 CCCCCCCCCCCCCOC1COC1 34a_100000185773_100009818527 [0,1,0,1,0,0|2,0,0]=4 9150 B18R1.5429 CCCCCCCCCCCCCOC1COC1 7a_100000185773_100009818527 [0,1,0,1,0,0|2,0,0]=4 9151 B18R1.5429 CCCCCCCCCCCCNCC1CCO1 2230a_100000210451_100000103362 [0,1,0,1,0,0|0,0,2]=4 9152 B18R1.5429 CCCCCCCCCCCCNCC1CCO1 34a_100000210451_100000103362 [0,1,0,1,0,0|0,0,2]=4 9153 B18R1.5429 CCCCCCCCCCCCNCC1COC1 2230a_100000210451_100010264016 [0,1,0,1,0,0|2,0,0]=4 9154 B18R1.5429 CCCCCCCCCCCCNCC1COC1 2230a_100015281925_100011215052 [0,1,0,1,0,0|2,0,0]=4 9155 B18R1.5429 CCCCCCCCCCCCNCC1COC1 270004a_100015281925_100011218549 [0,1,0,1,0,0|2,0,0]=4 9156 B18R1.5429 CCCCCCCCCCCCNCC1COC1 34a_100000210451_100010264016 [0,1,0,1,0,0|2,0,0]=4 9157 B18R1.5429 CCCCCCCCCCCCNCC1COC1 34a_100015281925_100000759014 [0,1,0,1,0,0|2,0,0]=4 9158 B18R1.5429 CCCCCCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215052 [0,1,0,1,0,0|0,0,2]=4 9159 B18R1.5429 CCCCCCCCCCCCNC[C@@H]1CCO1 270004a_100020831831_100011218549 [0,1,0,1,0,0|0,0,2]=4 9160 B18R1.5429 CCCCCCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000759014 [0,1,0,1,0,0|0,0,2]=4 9161 B18R1.5429 CCCCCCCCCCCCOCC1CCO1 34a_100000039022_100000759014 [0,1,0,1,0,0|0,0,2]=4 9162 B18R1.5429 CCCCCCCCCCCCOCC1CCO1 34a_100000210810_100000103362 [0,1,0,1,0,0|0,0,2]=4 9163 B18R1.5429 CCCCCCCCCCCCOCC1CCO1 7a_100000210810_100000103362 [0,1,0,1,0,0|0,0,2]=4 9164 B18R1.5429 CCCCCCCCCCCCOCC1CNC1 34a_100016987283_100000759014 [0,1,0,1,0,0|2,0,0]=4 9165 B18R1.5429 CCCCCCCCCCCCOCC1COC1 34a_100000060846_100000759014 [0,1,0,1,0,0|2,0,0]=4 9166 B18R1.5429 CCCCCCCCCCCCOCC1COC1 34a_100000210810_100010264016 [0,1,0,1,0,0|2,0,0]=4 9167 B18R1.5429 CCCCCCCCCCCCOCC1COC1 7a_100000210810_100010264016 [0,1,0,1,0,0|2,0,0]=4 9168 B18R1.5429 CCCCCCCCCCCOCCC1COC1 34a_100009855314_100011215454 [0,1,0,1,0,0|2,0,0]=4 9169 B18R1.5429 NCCCCCCCCCCCCOC1CCC1 34a_100000066677_100000749161 [0,1,0,1,0,0|1,0,1]=4 9170 B18R1.5429 OCCCCCCCCCCCCCN1CCC1 269982a_100000754969_100009812470 [0,1,0,1,0,0|0,0,2]=4 9171 B18R1.5429 OCCCCCCCCCCCCNC1CCC1 2230a_100000749019_100009813331 [0,1,0,1,0,0|0,0,2]=4 9172 B18R1.5429 OCCCCCCCCCCCCNC1CCC1 270004a_100000066677_100000241760 [0,1,0,1,0,0|0,0,2]=4 9173 B18R1.5429 OCCCCCCCCCCCCNC1CCC1 34a_100000066677_100000749161 [0,1,0,1,0,0|0,0,2]=4 9174 B18R1.5429 OCCCCCCCCCCCCNC1CCC1 34a_100000749019_100009813331 [0,1,0,1,0,0|0,0,2]=4 9175 B18R1.5429 OCCCCCCCCCCCCOC1CCC1 34a_100000748187_100009813331 [0,1,0,1,0,0|0,0,2]=4 9176 B18R1.5429 OCCCCCCCCCCCNCC1CCC1 2230a_100000738700_100009812471 [0,1,0,1,0,0|0,0,2]=4 9177 B18R1.5429 OCCCCCCCCCCCNCC1CCC1 34a_100000738700_100009812471 [0,1,0,1,0,0|0,0,2]=4 9178 B18R1.5429 OCCCCCCCCCCCOCC1CCC1 34a_100000760304_100009812471 [0,1,0,1,0,0|0,0,2]=4 9179 B18R1.5443 CCCCC1CCCC1NCCCCCCCO 269862a_100011996573_100000750825 [0,1,0,1,0,0|0,0,2]=4 9180 B18R1.5443 CCCCC1CCCC1NCCCCCCCO 270004a_100011996573_100000750825 [0,1,0,1,0,0|0,0,2]=4 9181 B18R1.5443 CCCCCCCCNC1CCCC1CCC#N 270004a_100000229939_100000073560 [0,1,0,1,0,0|1,0,1]=4 9182 B18R1.8759 C=CCCCCCCN1CCCCC1CCCO 2230a_100011934581_100011215473 [0,1,0,1,0,0|2,0,0]=4 9183 B18R1.8759 C=CCCCCCCN1CCCCC1CCCO 269982a_100011934581_100011215473 [0,1,0,1,0,0|2,0,0]=4 9184 B18R1.8759 C=CCCCCCCN1CCCCC1CCCO 34a_100011934581_100011215473 [0,1,0,1,0,0|2,0,0]=4 9185 B18R1.8759 C=CCCCCCCN1CCCCC1CCOC 2230a_100015186528_100011215473 [0,1,0,1,0,0|2,0,0]=4 9186 B18R1.8759 C=CCCCCCCN1CCCCC1CCOC 269982a_100015186528_100011215473 [0,1,0,1,0,0|2,0,0]=4 9187 B18R1.8759 C=CCCCCCCN1CCCCC1CCOC 34a_100015186528_100011215473 [0,1,0,1,0,0|2,0,0]=4 9188 B18R1.8759 CCCCCCCCN1CCCCC1CCCO 2230a_100011934581_100000210759 [0,1,0,1,0,0|0,0,2]=4 9189 B18R1.8759 CCCCCCCCN1CCCCC1CCCO 269982a_100011934581_100000210759 [0,1,0,1,0,0|0,0,2]=4 9190 B18R1.8759 CCCCCCCCN1CCCCC1CCCO 34a_100011934581_100000210759 [0,1,0,1,0,0|0,0,2]=4 9191 B18R1.8759 CCCCCCCCN1CCCCC1CCOC 2230a_100015186528_100000210759 [0,1,0,1,0,0|2,0,0]=4 9192 B18R1.8759 CCCCCCCCN1CCCCC1CCOC 269982a_100015186528_100000210759 [0,1,0,1,0,0|2,0,0]=4 9193 B18R1.8759 CCCCCCCCN1CCCCC1CCOC 34a_100015186528_100000210759 [0,1,0,1,0,0|2,0,0]=4 9194 B18R1.8759 CCCCCCCNC1CCCCC1CCC#N 270004a_100000229938_100000034616 [0,1,0,1,0,0|1,0,1]=4 9195 B18R1.8770 CCCCCC1CCCC1NCCCCCC#N 270004a_100000061152_200000198059 [0,1,0,1,0,0|1,0,1]=4 9196 B18R1.8770 CCCCCC1CCCC1NCCCCCCO 269862a_100000686447_200000198059 [0,1,0,1,0,0|0,0,2]=4 9197 B18R1.8770 CCCCCC1CCCC1NCCCCCCO 270004a_100000686447_200000198059 [0,1,0,1,0,0|0,0,2]=4 9198 B18R1.8770 CCCCCC1CCCC1NCCCCCOC 269862a_100000747528_200000198059 [0,1,0,1,0,0|2,0,0]=4 9199 B18R1.8770 CCCCCC1CCCC1NCCCCCOC 270004a_100000747528_200000198059 [0,1,0,1,0,0|2,0,0]=4 9200 B18R1.13144 C#CCCCCCCCNCC1CCCCCC1 2230a_100015204231_100153394163 [0,1,0,1,0,0|1,0,1]=4 9201 B18R1.13144 C#CCCCCCCCNCC1CCCCCC1 34a_100015204231_100153394163 [0,1,0,1,0,0|1,0,1]=4 9202 B18R1.13144 C#CCCCCCCCOCC1CCCCCC1 34a_100000054614_200000696569 [0,1,0,1,0,0|1,0,1]=4 9203 B18R1.13144 C#CCCCCCCCOCC1CCCCCC1 34a_100000699130_100153394163 [0,1,0,1,0,0|1,0,1]=4 9204 B18R1.13144 C#CCCCCCCCOCC1CCCCCC1 7a_100000054614_200000696569 [0,1,0,1,0,0|1,0,1]=4 9205 B18R1.13144 C#CCCCCCCCOCC1CCCCCC1 7a_100000699130_100153394163 [0,1,0,1,0,0|1,0,1]=4 9206 B18R1.13144 C#CCCCCCCNCCC1CCCCCC1 2230a_100011532351_100012276617 [0,1,0,1,0,0|1,0,1]=4 9207 B18R1.13144 C#CCCCCCCNCCC1CCCCCC1 34a_100011532351_100012276617 [0,1,0,1,0,0|1,0,1]=4 9208 B18R1.13144 C=CCCCCCCCCCN1CCCOCC1 2230a_100000685342_100009814027 [0,1,0,1,0,0|2,0,0]=4 9209 B18R1.13144 C=CCCCCCCCCCN1CCCOCC1 269982a_100000685342_100009814027 [0,1,0,1,0,0|2,0,0]=4 9210 B18R1.13144 C=CCCCCCCCCCN1CCCOCC1 34a_100000685342_100009814027 [0,1,0,1,0,0|2,0,0]=4 9211 B18R1.13144 C=CCCCCCCOCCN1CCCCCC1 34a_100000238007_100011215473 [0,1,0,1,0,0|2,0,0]=4 9212 B18R1.13144 C=CCCCCCCOCCN1CCCCCC1 7a_200011216477_100000722644 [0,1,0,1,0,0|2,0,0]=4 9213 B18R1.13144 C=CCCCCCCSCCN1CCCCCC1 62a_100000722644_100011215473 [0,1,0,1,0,0|2,0,0]=4 9214 B18R1.13144 C=CCCCCCCSCCN1CCCCCC1 62a_100011215473_100000722644 [0,1,0,1,0,0|2,0,0]=4 9215 B18R1.13144 C=CCCCCCOCCCN1CCCCCC1 34a_100102886287_100000700193 [0,1,0,1,0,0|2,0,0]=4 9216 B18R1.13144 C=CCCCCCOCCCN1CCCCCC1 7a_100102886287_100000700193 [0,1,0,1,0,0|2,0,0]=4 9217 B18R1.13144 C=CCCCCOCCCCN1CCCCCC1 34a_100011305542_100011215482 [0,1,0,1,0,0|2,0,0]=4 9218 B18R1.13144 COCCCCCCNCCC1CCCCCC1 2230a_100011532351_100011998445 [0,1,0,1,0,0|2,0,0]=4 9219 B18R1.13144 COCCCCCCNCCC1CCCCCC1 34a_100011532351_100011998445 [0,1,0,1,0,0|2,0,0]=4 9220 B18R1.13144 N#CCCCCCCNCCC1CCCCCC1 2230a_100011532351_100009813337 [0,1,0,1,0,0|1,0,1]=4 9221 B18R1.13144 NCCCCCCCCCOC1CCCCCC1 34a_100000078944_100011217769 [0,1,0,1,0,0|1,0,1]=4 9222 B18R1.13144 NCCCCCCCCOCC1CCCCCC1 34a_102515433106_200000696569 [0,1,0,1,0,0|1,0,1]=4 9223 B18R1.13144 O=CCCCCCOCCCN1CCCCCC1 7a_100102886287_100000139337 [0,1,0,1,0,0|1,0,0]=3 9224 B18R1.13144 OCCCCCCCCCCN1CCCCCC1 2230a_100000185865_100009813290 [0,1,0,1,0,0|0,0,2]=4 9225 B18R1.13144 OCCCCCCCCCCN1CCCCCC1 269982a_100000185865_100009813290 [0,1,0,1,0,0|0,0,2]=4 9226 B18R1.13144 OCCCCCCCCCCN1CCCCCC1 34a_100000185865_100009813290 [0,1,0,1,0,0|0,0,2]=4 9227 B18R1.13144 OCCCCCCCCCNC1CCCCCC1 2230a_100000210984_100009813782 [0,1,0,1,0,0|0,0,2]=4 9228 B18R1.13144 OCCCCCCCCCNC1CCCCCC1 270004a_100000078944_100000210131 [0,1,0,1,0,0|0,0,2]=4 9229 B18R1.13144 OCCCCCCCCCNC1CCCCCC1 34a_100000078944_100011217769 [0,1,0,1,0,0|0,0,2]=4 9230 B18R1.13144 OCCCCCCCCCNC1CCCCCC1 34a_100000210984_100009813782 [0,1,0,1,0,0|0,0,2]=4 9231 B18R1.13144 OCCCCCCCCCOC1CCCCCC1 34a_100000210887_100009813782 [0,1,0,1,0,0|0,0,2]=4 9232 B18R1.13144 OCCCCCCCCCOC1CCCCCC1 7a_100000210887_100009813782 [0,1,0,1,0,0|0,0,2]=4 9233 B18R1.13144 OCCCCCCCCNCC1CCCCCC1 2230a_100015204231_100000033203 [0,1,0,1,0,0|0,0,2]=4 9234 B18R1.13144 OCCCCCCCCNCC1CCCCCC1 2230a_102515433106_200000696569 [0,1,0,1,0,0|0,0,2]=4 9235 B18R1.13144 OCCCCCCCCNCC1CCCCCC1 269862a_102515433106_200000763224 [0,1,0,1,0,0|0,0,2]=4 9236 B18R1.13144 OCCCCCCCCNCC1CCCCCC1 34a_100015204231_100000033203 [0,1,0,1,0,0|0,0,2]=4 9237 B18R1.13144 OCCCCCCCCNCC1CCCCCC1 34a_102515433106_200000696569 [0,1,0,1,0,0|0,0,2]=4 9238 B18R1.13144 OCCCCCCCCOCC1CCCCCC1 34a_100000699130_100000033203 [0,1,0,1,0,0|0,0,2]=4 9239 B18R1.13144 OCCCCCCCCOCC1CCCCCC1 7a_100000699130_100000033203 [0,1,0,1,0,0|0,0,2]=4 9240 B18R1.13144 OCCCCCCCNCCC1CCCCCC1 2230a_100011532351_100000760002 [0,1,0,1,0,0|0,0,2]=4 9241 B18R1.13144 OCCCCCCCNCCC1CCCCCC1 34a_100011532351_100000760002 [0,1,0,1,0,0|0,0,2]=4 9242 B18R1.21916 C#CCCCCCCCCCOC1CCCC1=O 34a_100000034437_100000709159 [0,1,0,1,0,0|0,0,2]=4 9243 B18R1.21916 C#CCCCCCCCCCOC1CCCC1=O 7a_100000034437_100000211823 [0,1,0,1,0,0|0,0,2]=4 9244 B18R1.21916 C=CCCCCCCCCCNC1CCCC1=O 2230a_100000081888_100000211823 [0,1,0,1,0,0|0,0,2]=4 9245 B18R1.21916 C=CCCCCCCCCCNC1CCCC1=O 34a_100000081888_100000709159 [0,1,0,1,0,0|0,0,2]=4 9246 B18R1.21916 C=CCCCCCCCCCNC1CCOC1C 270004a_100000081888_100000691750 [0,1,0,1,0,0|2,0,0]=4 9247 B18R1.21916 C=CCCCCCCCCCOC1CCCC1=O 34a_100000038209_100000709159 [0,1,0,1,0,0|0,0,2]=4 9248 B18R1.21916 C=CCCCCCCCCCOC1CCCC1=O 34a_200000719330_100009814027 [0,1,0,1,0,0|0,0,2]=4 9249 B18R1.21916 C=CCCCCCCCCCOC1CCCC1=O 7a_100000038209_100000211823 [0,1,0,1,0,0|0,0,2]=4 9250 B18R1.21916 C=CCCCCCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009814027 [0,1,0,1,0,0|2,0,0]=4 9251 B18R1.21916 C=CCCCCCCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009814027 [0,1,0,1,0,0|2,0,0]=4 9252 B18R1.21916 C=CCCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_100009814027_200016002552 [0,1,0,1,0,0|2,0,0]=4 9253 B18R1.21916 C=CCCCCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009814027 [0,1,0,1,0,0|2,0,0]=4 9254 B18R1.21916 C=CCCCCCCCCOCC1CCCN1C 34a_100000743107_100011933949 [0,1,0,1,0,0|2,0,0]=4 9255 B18R1.21916 C=CCCCCCCCOCCC1CCCN1C 34a_100000730831_100000005710 [0,1,0,1,0,0|2,0,0]=4 9256 B18R1.21916 C=CCCCCCCCOCCC1CCCN1C 34a_100011215177_100012355270 [0,1,0,1,0,0|2,0,0]=4 9257 B18R1.21916 C=CCCCCCCCOCCC1CCCN1C 7a_100000730831_100000005710 [0,1,0,1,0,0|2,0,0]=4 9258 B18R1.21916 C=CCCCCCCCOCCC1CCCN1C 7a_100011215177_100012355270 [0,1,0,1,0,0|2,0,0]=4 9259 B18R1.21916 C=CCCCCCCCSCCC1CCCN1C 62a_100000005710_100012355270 [0,1,0,1,0,0|2,0,0]=4 9260 B18R1.21916 C=CCCCCCCCSCCC1CCCN1C 62a_100012355270_100000005710 [0,1,0,1,0,0|2,0,0]=4 9261 B18R1.21916 CC1CCCC1NCCCCCCCCCCO 269862a_100000066964_100000752053 [0,1,0,1,0,0|0,0,2]=4 9262 B18R1.21916 CC1CCCC1OCCCCCCCCCCO 34a_100011216460_100009813290 [0,1,0,1,0,0|0,0,2]=4 9263 B18R1.21916 CC1CCCC1OCCCCCCCCCCO 7a_100011216460_100009813290 [0,1,0,1,0,0|0,0,2]=4 9264 B18R1.21916 CCCCCCCC/C=C/COC1CCCC1=O 34a_200020667288_100000709159 [0,1,0,1,0,0|0,0,2]=4 9265 B18R1.21916 CCCCCCCC/C=C/COC1CCCC1=O 7a_200020667288_100000211823 [0,1,0,1,0,0|0,0,2]=4 9266 B18R1.21916 CCCCCCCCCCCNC1CCCC1=O 2230a_200011215754_100000211823 [0,1,0,1,0,0|0,0,0]=2 9267 B18R1.21916 CCCCCCCCCCCNC1CCCC1=O 34a_200011215754_100000709159 [0,1,0,1,0,0|0,0,0]=2 9268 B18R1.21916 CCCCCCCCCCCNC1CCNC1=O 2230a_100016995588_100011215454 [0,1,0,1,0,0|1,0,0]=3 9269 B18R1.21916 CCCCCCCCCCCNC1CCNC1=O 34a_100016995588_100011215454 [0,1,0,1,0,0|1,0,0]=3 9270 B18R1.21916 CCCCCCCCCCCNC1CCOC1=O 2230a_200011215754_100000211211 [0,1,0,1,0,0|1,0,0]=3 9271 B18R1.21916 CCCCCCCCCCCNC1CCOC1=O 34a_200011215754_100000211211 [0,1,0,1,0,0|1,0,0]=3 9272 B18R1.21916 CCCCCCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100011215454 [0,1,0,1,0,0|2,0,0]=4 9273 B18R1.21916 CCCCCCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100011215454 [0,1,0,1,0,0|2,0,0]=4 9274 B18R1.21916 CCCCCCCCCCCOC1CCCC1=O 34a_100000210809_100000709159 [0,1,0,1,0,0|0,0,0]=2 9275 B18R1.21916 CCCCCCCCCCCOC1CCCC1=O 34a_200000719330_100011215454 [0,1,0,1,0,0|0,0,0]=2 9276 B18R1.21916 CCCCCCCCCCCOC1CCCC1=O 7a_100000210809_100000211823 [0,1,0,1,0,0|0,0,0]=2 9277 B18R1.21916 CCCCCCCCCCCOC1CCOC1=O 34a_100000210809_100000211211 [0,1,0,1,0,0|1,0,0]=3 9278 B18R1.21916 CCCCCCCCCCCOC1CCOC1=O 7a_100000210809_100000211211 [0,1,0,1,0,0|1,0,0]=3 9279 B18R1.21916 CCCCCCCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011215454 [0,1,0,1,0,0|1,0,1]=4 9280 B18R1.21916 CCCCCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100011215454 [0,1,0,1,0,0|1,0,0]=3 9281 B18R1.21916 CCCCCCCCCCCSC1CCOC1=O 62a_100000211211_100011215454 [0,1,0,1,0,0|1,0,0]=3 9282 B18R1.21916 CCCCCCCCCCOCC1=CCCC1=O 34a_100000087531_100000210320 [0,1,0,1,0,0|0,0,2]=4 9283 B18R1.21916 CCCCCCCCCCOCC1CCCN1C 34a_100000743107_100000210320 [0,1,0,1,0,0|2,0,0]=4 9284 B18R1.21916 CCCCCCCCCCOCC1CCNC1=O 34a_100000133458_100000210320 [0,1,0,1,0,0|1,0,0]=3 9285 B18R1.21916 CCCCCCCCCCSCN1CCCC1=O 62a_100000026320_100000210320 [0,1,0,1,0,0|1,0,0]=3 9286 B18R1.21916 CCCCCCCCCNCCC1CCCN1C 2230a_100000212291_100000005710 [0,1,0,1,0,0|2,0,0]=4 9287 B18R1.21916 CCCCCCCCCNCCC1CCCN1C 34a_100000212291_100000005710 [0,1,0,1,0,0|2,0,0]=4 9288 B18R1.21916 CCCCCCCCCNCCN1CCCC1=O 2230a_100000212291_100000739059 [0,1,0,1,0,0|1,0,0]=3 9289 B18R1.21916 CCCCCCCCCNCCN1CCCC1=O 2230a_100011200922_100011214924 [0,1,0,1,0,0|1,0,0]=3 9290 B18R1.21916 CCCCCCCCCNCCN1CCCC1=O 34a_100000212291_100000739059 [0,1,0,1,0,0|1,0,0]=3 9291 B18R1.21916 CCCCCCCCCNCCN1CCNC1=O 2230a_100000212291_100000090651 [0,1,0,1,0,0|2,0,0]=4 9292 B18R1.21916 CCCCCCCCCNCCN1CCNC1=O 2230a_100011207550_100011214924 [0,1,0,1,0,0|2,0,0]=4 9293 B18R1.21916 CCCCCCCCCOCCC1CCCN1C 34a_100000210712_100000005710 [0,1,0,1,0,0|2,0,0]=4 9294 B18R1.21916 CCCCCCCCCOCCC1CCCN1C 34a_100011215177_100011214924 [0,1,0,1,0,0|2,0,0]=4 9295 B18R1.21916 CCCCCCCCCOCCC1CCCN1C 7a_100000210712_100000005710 [0,1,0,1,0,0|2,0,0]=4 9296 B18R1.21916 CCCCCCCCCOCCC1CCCN1C 7a_100011215177_100000210328 [0,1,0,1,0,0|2,0,0]=4 9297 B18R1.21916 CCCCCCCCCOCCN1CCCC1=O 34a_100000210712_100000739059 [0,1,0,1,0,0|1,0,0]=3 9298 B18R1.21916 CCCCCCCCCOCCN1CCCC1=O 34a_100000211209_100011214924 [0,1,0,1,0,0|1,0,0]=3 9299 B18R1.21916 CCCCCCCCCOCCN1CCCC1=O 7a_100000210712_100000739059 [0,1,0,1,0,0|1,0,0]=3 9300 B18R1.21916 CCCCCCCCCOCCN1CCCC1=O 7a_100000211209_100000210328 [0,1,0,1,0,0|1,0,0]=3 9301 B18R1.21916 CCCCCCCCCOCCN1CCNC1=O 34a_100000216532_100011214924 [0,1,0,1,0,0|2,0,0]=4 9302 B18R1.21916 CCCCCCCCCOCCN1CCNC1=O 7a_100000210712_100000090651 [0,1,0,1,0,0|2,0,0]=4 9303 B18R1.21916 CCCCCCCCCSCCC1CCCN1C 62a_100000005710_100000210670 [0,1,0,1,0,0|2,0,0]=4 9304 B18R1.21916 CCCCCCCCCSCCN1CCCC1=O 62a_100000739059_100000210670 [0,1,0,1,0,0|1,0,0]=3 9305 B18R1.21916 CCCCCCCCCSCCN1CCNC1=O 62a_100000090651_100000210670 [0,1,0,1,0,0|2,0,0]=4 9306 B18R1.21916 CCCCCCCCNCCCN1CCCC1=O 2230a_100000210347_100000210759 [0,1,0,1,0,0|1,0,0]=3 9307 B18R1.21916 CCCCCCCCNCCCN1CCCC1=O 34a_100000210347_100000210759 [0,1,0,1,0,0|1,0,0]=3 9308 B18R1.21916 CCCCCCCCOCCCN1CCCC1=O 34a_100011216539_100000210759 [0,1,0,1,0,0|1,0,0]=3 9309 B18R1.21916 CCCCCCCCOCCCN1CCCC1=O 7a_100011216539_100000210759 [0,1,0,1,0,0|1,0,0]=3 9310 B18R1.21916 CCCCCCOCCOCCN1CCCC1=O 34a_100000691444_100000739059 [0,1,0,1,0,0|2,0,0]=4 9311 B18R1.21916 CCCCCCOCCOCCN1CCCC1=O 7a_100000691444_100000739059 [0,1,0,1,0,0|2,0,0]=4 9312 B18R1.21916 CCCCNCCCCOCCN1CCCC1=O 34a_200011216965_100000739059 [0,1,0,1,0,0|2,0,0]=4 9313 B18R1.21916 CCCCOCCCCOCCN1CCCC1=O 34a_200000760531_100000739059 [0,1,0,1,0,0|2,0,0]=4 9314 B18R1.21916 CCCCOCCCCOCCN1CCCC1=O 7a_200000760531_100000739059 [0,1,0,1,0,0|2,0,0]=4 9315 B18R1.21916 COCCCCCCNCCCN1CCCC1=O 2230a_100000210347_100011998445 [0,1,0,1,0,0|2,0,0]=4 9316 B18R1.21916 COCCCCCCNCCCN1CCCC1=O 34a_100000210347_100011998445 [0,1,0,1,0,0|2,0,0]=4 9317 B18R1.21916 COCCCCCCOCCCN1CCCC1=O 34a_100011216539_100011998445 [0,1,0,1,0,0|2,0,0]=4 9318 B18R1.21916 COCCCCCCOCCCN1CCCC1=O 7a_100011216539_100011998445 [0,1,0,1,0,0|2,0,0]=4 9319 B18R1.21916 C[C@@H]1CCCN1CCCCCCCCCCCO 2230a_100015189458_100009812471 [0,1,0,1,0,0|0,0,2]=4 9320 B18R1.21916 C[C@@H]1CCCN1CCCCCCCCCCCO 269982a_100015189458_100009812471 [0,1,0,1,0,0|0,0,2]=4 9321 B18R1.21916 C[C@@H]1CCCN1CCCCCCCCCCCO 34a_100015189458_100009812471 [0,1,0,1,0,0|0,0,2]=4 9322 B18R1.21916 C[C@H]1CCCN1CCCCCCCCCCCO 2230a_100020605311_100009812471 [0,1,0,1,0,0|0,0,2]=4 9323 B18R1.21916 C[C@H]1CCCN1CCCCCCCCCCCO 269982a_100020605311_100009812471 [0,1,0,1,0,0|0,0,2]=4 9324 B18R1.21916 NCCCCCCCCCCOC1CCCC1=O 34a_100000066964_100000709159 [0,1,0,1,0,0|1,0,0]=3 9325 B18R1.21916 NCCCCCCCCCCOC1CCOC1=O 34a_100000066964_100000211211 [0,1,0,1,0,0|2,0,0]=4 9326 B18R1.21916 NCCCCCCCCOCCN1CCCC1=O 34a_102515433106_100000739059 [0,1,0,1,0,0|2,0,0]=4 9327 B18R1.21916 O=C1CCCC1NCCCCCCCCCCO 2230a_100000066964_100000211823 [0,1,0,1,0,0|1,0,0]=3 9328 B18R1.21916 O=C1CCCC1NCCCCCCCCCCO 34a_100000066964_100000709159 [0,1,0,1,0,0|1,0,0]=3 9329 B18R1.21916 O=C1CCCC1OCCCCCCCCCCBr 34a_100009813290_100000709159 [0,1,0,1,0,0|1,0,0]=3 9330 B18R1.21916 O=C1CCCC1OCCCCCCCCCCBr 7a_100009813290_100000211823 [0,1,0,1,0,0|1,0,0]=3 9331 B18R1.21916 O=C1CCCC1OCCCCCCCCCCCl 34a_200000033068_100000709159 [0,1,0,1,0,0|1,0,0]=3 9332 B18R1.21916 O=C1CCCC1OCCCCCCCCCCCl 7a_200000033068_100000211823 [0,1,0,1,0,0|1,0,0]=3 9333 B18R1.21916 O=C1CCCC1OCCCCCCCCCCO 34a_200000719330_100009813290 [0,1,0,1,0,0|1,0,0]=3 9334 B18R1.21916 O=C1CCCC1SCCCCCCCCCCO 62a_100000211823_200000033068 [0,1,0,1,0,0|1,0,0]=3 9335 B18R1.21916 O=C1CCCC1SCCCCCCCCCCO 62a_100009813290_100000211823 [0,1,0,1,0,0|1,0,0]=3 9336 B18R1.21916 O=C1CCCN1CCCNCCCCCCCO 2230a_100000210347_100000760002 [0,1,0,1,0,0|2,0,0]=4 9337 B18R1.21916 O=C1CCCN1CCCNCCCCCCCO 34a_100000210347_100000760002 [0,1,0,1,0,0|2,0,0]=4 9338 B18R1.21916 O=C1CCCN1CCCOCCCCCCCO 34a_100011216539_100000760002 [0,1,0,1,0,0|2,0,0]=4 9339 B18R1.21916 O=C1CCCN1CCCOCCCCCCCO 7a_100011216539_100000760002 [0,1,0,1,0,0|2,0,0]=4 9340 B18R1.21916 O=C1CCCN1CCNCCCCCCCCO 2230a_100011200922_100000033203 [0,1,0,1,0,0|2,0,0]=4 9341 B18R1.21916 O=C1CCCN1CCNCCCCCCCCO 2230a_102515433106_100000739059 [0,1,0,1,0,0|2,0,0]=4 9342 B18R1.21916 O=C1CCCN1CCNCCCCCCCCO 34a_102515433106_100000739059 [0,1,0,1,0,0|2,0,0]=4 9343 B18R1.21916 O=C1CCCN1CCOCCCCCCCCBr 34a_100009813846_100000739059 [0,1,0,1,0,0|2,0,0]=4 9344 B18R1.21916 O=C1CCCN1CCOCCCCCCCCBr 7a_100009813846_100000739059 [0,1,0,1,0,0|2,0,0]=4 9345 B18R1.21916 O=C1CCCN1CCOCCCCCCCCCl 34a_100000033203_100000739059 [0,1,0,1,0,0|2,0,0]=4 9346 B18R1.21916 O=C1CCCN1CCOCCCCCCCCCl 7a_100000033203_100000739059 [0,1,0,1,0,0|2,0,0]=4 9347 B18R1.21916 O=C1CCCN1CCOCCCCCCCCO 34a_100000211209_100000033203 [0,1,0,1,0,0|2,0,0]=4 9348 B18R1.21916 O=C1CCCN1CCOCCCCCCCCO 7a_100000211209_100000033203 [0,1,0,1,0,0|2,0,0]=4 9349 B18R1.21916 O=C1CCCN1CCSCCCCCCCCO 62a_100000033203_100000739059 [0,1,0,1,0,0|2,0,0]=4 9350 B18R1.21916 O=C1CCCN1CCSCCCCCCCCO 62a_100000739059_100000033203 [0,1,0,1,0,0|2,0,0]=4 9351 B18R1.21916 O=C1CCCN1CSCCCCCCCCCO 62a_100000026320_100009813782 [0,1,0,1,0,0|2,0,0]=4 9352 B18R1.21916 O=C1CCCN1CSCCCCCCCCCO 62a_100009813782_100000026320 [0,1,0,1,0,0|2,0,0]=4 9353 B18R1.21916 O=C1NCCC1COCCCCCCCCCO 34a_100000133458_100009813782 [0,1,0,1,0,0|2,0,0]=4 9354 B18R1.21916 O=C1NCCC1NCCCCCCCCCCO 2230a_100016995588_100009813290 [0,1,0,1,0,0|2,0,0]=4 9355 B18R1.21916 O=C1NCCC1NCCCCCCCCCCO 34a_100016995588_100009813290 [0,1,0,1,0,0|2,0,0]=4 9356 B18R1.21916 O=C1NCC[C@@H]1OCCCCCCCCCCO 34a_100000688343_100009813290 [0,1,0,1,0,0|2,0,0]=4 9357 B18R1.21916 O=C1OCCC1NCCCCCCCCCCO 2230a_100000066964_100000211211 [0,1,0,1,0,0|2,0,0]=4 9358 B18R1.21916 O=C1OCCC1NCCCCCCCCCCO 34a_100000066964_100000211211 [0,1,0,1,0,0|2,0,0]=4 9359 B18R1.21916 O=C1OCCC1OCCCCCCCCCCBr 34a_100009813290_100000211211 [0,1,0,1,0,0|2,0,0]=4 9360 B18R1.21916 O=C1OCCC1OCCCCCCCCCCBr 7a_100009813290_100000211211 [0,1,0,1,0,0|2,0,0]=4 9361 B18R1.21916 O=C1OCCC1OCCCCCCCCCCCl 34a_200000033068_100000211211 [0,1,0,1,0,0|2,0,0]=4 9362 B18R1.21916 O=C1OCCC1OCCCCCCCCCCCl 7a_200000033068_100000211211 [0,1,0,1,0,0|2,0,0]=4 9363 B18R1.21916 O=C1OCCC1SCCCCCCCCCCO 62a_100000211211_200000033068 [0,1,0,1,0,0|2,0,0]=4 9364 B18R1.21916 O=C1OCCC1SCCCCCCCCCCO 62a_100009813290_100000211211 [0,1,0,1,0,0|2,0,0]=4 9365 B18R1.21926 C#CCCCCCCCCCCOC1CCC1=O 34a_100000054667_100009892977 [0,1,0,1,0,0|0,0,2]=4 9366 B18R1.21926 C#CCCCCCCCCCCOC1CCC1=O 7a_100000054667_100009892977 [0,1,0,1,0,0|0,0,2]=4 9367 B18R1.21926 C#CCCCCCCCCOCCC1CCC1=O 7a_100000065265_200016118888 [0,1,0,1,0,0|0,0,2]=4 9368 B18R1.21926 C=CCCCCCCCCOCCC1CCC1=O 7a_100011215194_200016118888 [0,1,0,1,0,0|0,0,2]=4 9369 B18R1.21926 CC1CCN1CCCCCCCCCCCCO 269982a_100000755817_100009813331 [0,1,0,1,0,0|0,0,2]=4 9370 B18R1.21926 CC1CCN1CCCCCCCCCCCCO 34a_100000755817_100009813331 [0,1,0,1,0,0|0,0,2]=4 9371 B18R1.21926 CCC#CCCCCCCCCOC1CCC1=O 34a_200000031908_100009892977 [0,1,0,1,0,0|0,0,2]=4 9372 B18R1.21926 CCC#CCCCCCCCCOC1CCC1=O 7a_200000031908_100009892977 [0,1,0,1,0,0|0,0,2]=4 9373 B18R1.21926 CCC#CCCCCCCSCCC1CCC1=O 62a_200000036426_200016118888 [0,1,0,1,0,0|0,0,2]=4 9374 B18R1.21926 CCC#CCCCCCCSCCC1CCC1=O 62a_200016118888_200000036426 [0,1,0,1,0,0|0,0,2]=4 9375 B18R1.21926 CCCC/C=C/CCCCOCCC1CCC1=O 7a_200020645093_200016118888 [0,1,0,1,0,0|0,0,2]=4 9376 B18R1.21926 CCCCC#CCCCCCCSC1CCC1=O 62a_100009892977_200000043322 [0,1,0,1,0,0|0,0,2]=4 9377 B18R1.21926 CCCCC#CCCCCCCSC1CCC1=O 62a_200000043322_100009892977 [0,1,0,1,0,0|0,0,2]=4 9378 B18R1.21926 CCCCC#CCCCCOCCC1CCC1=O 7a_200000066234_200016118888 [0,1,0,1,0,0|0,0,2]=4 9379 B18R1.21926 CCCCC/C=C\CCCOCCC1CCC1=O 7a_100020655193_200016118888 [0,1,0,1,0,0|0,0,2]=4 9380 B18R1.21926 CCCCCCC#CCCOCCC1CCC1=O 7a_200000033163_200016118888 [0,1,0,1,0,0|0,0,2]=4 9381 B18R1.21926 CCCCCCCC#CCOCCC1CCC1=O 7a_200000061759_200016118888 [0,1,0,1,0,0|0,0,2]=4 9382 B18R1.21926 CCCCCCCCC/C=C/COC1CCC1=O 34a_100015232335_100009892977 [0,1,0,1,0,0|0,0,2]=4 9383 B18R1.21926 CCCCCCCCC/C=C/COC1CCC1=O 7a_100015232335_100009892977 [0,1,0,1,0,0|0,0,2]=4 9384 B18R1.21926 CCCCCCCCCCCCNC1CCC1=O 34a_100000210451_100009892977 [0,1,0,1,0,0|0,0,0]=2 9385 B18R1.21926 CCCCCCCCCCCCOC1CCC1=O 34a_100000210810_100009892977 [0,1,0,1,0,0|0,0,0]=2 9386 B18R1.21926 CCCCCCCCCCCCOC1CCC1=O 7a_100000210810_100009892977 [0,1,0,1,0,0|0,0,0]=2 9387 B18R1.21926 CCCCCCCCCCNCCC1CCC1=O 2230a_100000684558_200016118888 [0,1,0,1,0,0|0,0,0]=2 9388 B18R1.21926 CCCCCCCCCCOCCC1CCC1=O 7a_100000210711_200016118888 [0,1,0,1,0,0|0,0,0]=2 9389 B18R1.21926 CCCCCCOCCOCCOC1CCC1=O 34a_100000032842_100009892977 [0,1,0,1,0,0|2,0,0]=4 9390 B18R1.21926 CCCCCCOCCOCCOC1CCC1=O 7a_100000032842_100009892977 [0,1,0,1,0,0|2,0,0]=4 9391 B18R1.21926 CCCCOCCOCCOCCC1CCC1=O 7a_100011215186_200016118888 [0,1,0,1,0,0|2,0,0]=4 9392 B18R1.21926 CCOCCCCCCCCCOC1CCC1=O 34a_100009875440_100009892977 [0,1,0,1,0,0|1,0,0]=3 9393 B18R1.21926 CCOCCCCCCCCCOC1CCC1=O 7a_100009875440_100009892977 [0,1,0,1,0,0|1,0,0]=3 9394 B18R1.21926 O=C1CCC1CCNCCCCCCCCCO 2230a_100000078944_200016118888 [0,1,0,1,0,0|1,0,0]=3 9395 B18R1.21926 O=C1CCC1CCOCCCCCCCCCBr 7a_100009813782_200016118888 [0,1,0,1,0,0|1,0,0]=3 9396 B18R1.21926 O=C1CCC1CCOCCCCCCCCCCl 7a_100009868337_200016118888 [0,1,0,1,0,0|1,0,0]=3 9397 B18R1.21926 O=C1CCC1CCSCCCCCCCCCO 62a_100009813782_200016118888 [0,1,0,1,0,0|1,0,0]=3 9398 B18R1.21926 O=C1CCC1CCSCCCCCCCCCO 62a_200016118888_100009813782 [0,1,0,1,0,0|1,0,0]=3 9399 B18R1.21926 O=C1CCC1OCCCCCCCCCCCBr 34a_100009812471_100009892977 [0,1,0,1,0,0|1,0,0]=3 9400 B18R1.21926 O=C1CCC1OCCCCCCCCCCCBr 7a_100009812471_100009892977 [0,1,0,1,0,0|1,0,0]=3 9401 B18R1.21926 O=C1CCC1SCCCCCCCCCCCO 62a_100009812471_100009892977 [0,1,0,1,0,0|1,0,0]=3 9402 B18R1.21949 C#CCCNC1CCCCCCCCCCC1=O 34a_100000755551_200009990614 [0,1,0,1,0,0|0,0,2]=4 9403 B18R1.21949 C#CCCOC1CCCCCCCCCCC1=O 34a_100011215631_200009990614 [0,1,0,1,0,0|0,0,2]=4 9404 B18R1.21949 C#CCCSC1CCCCCCCCCCC1=O 62a_100000688953_200009990614 [0,1,0,1,0,0|0,0,2]=4 9405 B18R1.21949 C#CCCSC1CCCCCCCCCCC1=O 62a_200009990614_100000688953 [0,1,0,1,0,0|0,0,2]=4 9406 B18R1.21949 C/C=C/COC1CCCCCCCCCCC1=O 34a_100016270725_200009990614 [0,1,0,1,0,0|0,0,2]=4 9407 B18R1.21949 C=CCCNC1CCCCCCCCCCC1=O 2230a_100015191253_200009990614 [0,1,0,1,0,0|0,0,2]=4 9408 B18R1.21949 C=CCCOC1CCCCCCCCCCC1=O 34a_100011205117_200009990614 [0,1,0,1,0,0|0,0,2]=4 9409 B18R1.21949 CC#CCNC1CCCCCCCCCCC1=O 2230a_100000685387_200009990614 [0,1,0,1,0,0|0,0,2]=4 9410 B18R1.21949 CC#CCNC1CCCCCCCCCCC1=O 34a_100000685387_200009990614 [0,1,0,1,0,0|0,0,2]=4 9411 B18R1.21949 CC#CCOC1CCCCCCCCCCC1=O 34a_100000761923_200009990614 [0,1,0,1,0,0|0,0,2]=4 9412 B18R1.21949 CC#CCSC1CCCCCCCCCCC1=O 62a_100000748600_200009990614 [0,1,0,1,0,0|0,0,2]=4 9413 B18R1.21949 CC#CCSC1CCCCCCCCCCC1=O 62a_200009990614_100000748600 [0,1,0,1,0,0|0,0,2]=4 9414 B18R1.21949 CCCCNC1CCCCCCCCCCC1=O 2230a_100000102301_200009990614 [0,1,0,1,0,0|0,0,0]=2 9415 B18R1.21949 CCCCNC1CCCCCCCCCCC1=O 7a_106832991798_200009990614 [0,1,0,1,0,0|0,0,0]=2 9416 B18R1.21949 CCCCOC1CCCCCCCCCCC1=O 34a_100000210227_200009990614 [0,1,0,1,0,0|0,0,0]=2 9417 B18R1.21949 CCCCOC1CCCCCCCCCCC1=O 7a_100000210227_200009990614 [0,1,0,1,0,0|0,0,0]=2 9418 B18R1.21949 CCOCSC1CCCCCCCCCCC1=O 62a_100000739092_200009990614 [0,1,0,1,0,0|1,0,0]=3 9419 B18R1.21949 CCOCSC1CCCCCCCCCCC1=O 62a_200009990614_100000739092 [0,1,0,1,0,0|1,0,0]=3 9420 B18R1.21949 COCCNC1CCCCCCCCCCC1=O 2230a_100000209980_200009990614 [0,1,0,1,0,0|1,0,0]=3 9421 B18R1.21949 COCCOC1CCCCCCCCCCC1=O 34a_100000210237_200009990614 [0,1,0,1,0,0|1,0,0]=3 9422 B18R1.21949 COCCSC1CCCCCCCCCCC1=O 62a_100000233755_200009990614 [0,1,0,1,0,0|1,0,0]=3 9423 B18R1.21949 COCCSC1CCCCCCCCCCC1=O 62a_200009990614_100000233755 [0,1,0,1,0,0|1,0,0]=3 9424 B18R1.21949 CSCCNC1CCCCCCCCCCC1=O 2230a_100020590264_200009990614 [0,1,0,1,0,0|1,0,0]=3 9425 B18R1.21949 CSCCOC1CCCCCCCCCCC1=O 34a_100000230434_200009990614 [0,1,0,1,0,0|1,0,0]=3 9426 B18R1.21949 CSCCOC1CCCCCCCCCCC1=O 7a_100000230434_200009990614 [0,1,0,1,0,0|1,0,0]=3 9427 B18R1.21949 CSCCSC1CCCCCCCCCCC1=O 62a_100000212216_200009990614 [0,1,0,1,0,0|1,0,0]=3 9428 B18R1.21949 CSCCSC1CCCCCCCCCCC1=O 62a_200009990614_100000751147 [0,1,0,1,0,0|1,0,0]=3 9429 B18R1.21949 N#CCCSC1CCCCCCCCCCC1=O 62a_100011215226_200009990614 [0,1,0,1,0,0|1,0,1]=4 9430 B18R1.21949 N#CCCSC1CCCCCCCCCCC1=O 62a_200009990614_100011215226 [0,1,0,1,0,0|1,0,1]=4 9431 B18R1.21949 NCCCOC1CCCCCCCCCCC1=O 34a_100000182051_200009990614 [0,1,0,1,0,0|1,0,0]=3 9432 B18R1.21949 NOCCOC1CCCCCCCCCCC1=O 34a_100000700252_200009990614 [0,1,0,1,0,0|2,0,0]=4 9433 B18R1.21949 O=C1CCCCCCCCCCC1NCCCF 2230a_100015189416_200009990614 [0,1,0,1,0,0|1,0,0]=3 9434 B18R1.21949 O=C1CCCCCCCCCCC1NCCCF 34a_100015189416_200009990614 [0,1,0,1,0,0|1,0,0]=3 9435 B18R1.21949 O=C1CCCCCCCCCCC1OCCCBr 34a_100011217188_200009990614 [0,1,0,1,0,0|1,0,0]=3 9436 B18R1.21949 O=C1CCCCCCCCCCC1OCCCCl 34a_100000230001_200009990614 [0,1,0,1,0,0|1,0,0]=3 9437 B18R1.21949 O=C1CCCCCCCCCCC1OCCCF 34a_100000759539_200009990614 [0,1,0,1,0,0|1,0,0]=3 9438 B18R1.21949 O=C1CCCCCCCCCCC1SCCCF 62a_100011934791_200009990614 [0,1,0,1,0,0|1,0,0]=3 9439 B18R1.21949 O=C1CCCCCCCCCCC1SCCCF 62a_200009990614_100011934791 [0,1,0,1,0,0|1,0,0]=3 9440 B18R1.21949 O=C1CCCCCCCCCCC1SCCCO 62a_100011215043_200009990614 [0,1,0,1,0,0|1,0,0]=3 9441 B18R1.21949 O=C1CCCCCCCCCCC1SCCCO 62a_200009990614_100011215043 [0,1,0,1,0,0|1,0,0]=3 9442 B18R1.23376 C#CCCCNC1CCCCCCCCCCC1 2230a_100011194316_100000731252 [0,1,0,1,0,0|1,0,1]=4 9443 B18R1.23376 C#CCCCNC1CCCCCCCCCCC1 270004a_100000718082_100000210130 [0,1,0,1,0,0|1,0,1]=4 9444 B18R1.23376 C#CCCCNC1CCCCCCCCCCC1 34a_100011194316_100000695029 [0,1,0,1,0,0|1,0,1]=4 9445 B18R1.23376 C=COCCNC1CCCCCCCCCCC1 2230a_100011194316_100000039644 [0,1,0,1,0,0|2,0,0]=4 9446 B18R1.23376 C=COCCNC1CCCCCCCCCCC1 34a_100011194316_100000039644 [0,1,0,1,0,0|2,0,0]=4 9447 B18R1.23376 C=COCCOC1CCCCCCCCCCC1 34a_100000211378_100000039644 [0,1,0,1,0,0|2,0,0]=4 9448 B18R1.23376 C=COCCOC1CCCCCCCCCCC1 7a_100000211378_100000039644 [0,1,0,1,0,0|2,0,0]=4 9449 B18R1.23376 COCCCNC1CCCCCCCCCCC1 2230a_100011194316_100000740836 [0,1,0,1,0,0|2,0,0]=4 9450 B18R1.23376 COCCCNC1CCCCCCCCCCC1 270004a_100150723488_100000210130 [0,1,0,1,0,0|2,0,0]=4 9451 B18R1.23376 COCCCNC1CCCCCCCCCCC1 34a_100011194316_100000740836 [0,1,0,1,0,0|2,0,0]=4 9452 B18R1.23376 COCCCOC1CCCCCCCCCCC1 34a_100000211378_100000740836 [0,1,0,1,0,0|2,0,0]=4 9453 B18R1.23376 COCCCOC1CCCCCCCCCCC1 7a_100000211378_100000740836 [0,1,0,1,0,0|2,0,0]=4 9454 B18R1.23376 N#CCCCNC1CCCCCCCCCCC1 2230a_100011194316_100000687738 [0,1,0,1,0,0|1,0,1]=4 9455 B18R1.23376 N#CCCCOC1CCCCCCCCCCC1 7a_100000211378_100000687738 [0,1,0,1,0,0|1,0,1]=4 9456 B18R1.23376 O=CCCCNC1CCCCCCCCCCC1 2230a_100011194316_200011292268 [0,1,0,1,0,0|0,0,0]=2 9457 B18R1.23376 O=CCCCOC1CCCCCCCCCCC1 7a_100000211378_200011292268 [0,1,0,1,0,0|0,0,0]=2 9458 B18R1.23376 OCCCCNC1CCCCCCCCCCC1 2230a_100011194316_100000210776 [0,1,0,1,0,0|0,0,2]=4 9459 B18R1.23376 OCCCCNC1CCCCCCCCCCC1 270004a_100000750430_100000210130 [0,1,0,1,0,0|0,0,2]=4 9460 B18R1.23376 OCCCCNC1CCCCCCCCCCC1 34a_100011194316_100011216708 [0,1,0,1,0,0|0,0,2]=4 9461 B18R1.23376 OCCCCOC1CCCCCCCCCCC1 34a_100000211378_100011216708 [0,1,0,1,0,0|0,0,2]=4 9462 B18R1.23376 OCCCCOC1CCCCCCCCCCC1 7a_100000211378_100000210776 [0,1,0,1,0,0|0,0,2]=4 9463 B18R1.35000 C=CCCCCCCCCCN1CCC1COC 2230a_100015195929_100009814027 [0,1,0,1,0,0|2,0,0]=4 9464 B18R1.35000 C=CCCCCCCCCCN1CCC1COC 269982a_100015195929_100009814027 [0,1,0,1,0,0|2,0,0]=4 9465 B18R1.35000 C=CCCCCCCCCCN1CCC1COC 34a_100015195929_100009814027 [0,1,0,1,0,0|2,0,0]=4 9466 B18R1.35000 CCCCCCCCCCCN1CCC1COC 2230a_100015195929_100011215454 [0,1,0,1,0,0|2,0,0]=4 9467 B18R1.35000 CCCCCCCCCCCN1CCC1COC 269982a_100015195929_100011215454 [0,1,0,1,0,0|2,0,0]=4 9468 B18R1.35000 CCCCCCCCCCCN1CCC1COC 34a_100015195929_100011215454 [0,1,0,1,0,0|2,0,0]=4 9469 B18R1.35414 C#CCCCCCCCN1CCCCC1CCC 2230a_100000701414_100153394163 [0,1,0,1,0,0|1,0,1]=4 9470 B18R1.35414 C#CCCCCCCCN1CCCCC1CCC 269982a_100000701414_100153394163 [0,1,0,1,0,0|1,0,1]=4 9471 B18R1.35414 C#CCCCCCCCN1CCCCC1CCC 34a_100000701414_100153394163 [0,1,0,1,0,0|1,0,1]=4 9472 B18R1.35414 C#CCCCCCCOC1CCCCC1CCC 34a_100011217265_100012276617 [0,1,0,1,0,0|1,0,1]=4 9473 B18R1.35414 C#CCCCCCCOC1CCCCC1CCC 7a_100011217265_100012276617 [0,1,0,1,0,0|1,0,1]=4 9474 B18R1.35414 C=CCC1CCCCC1NCCCCCCCO 269862a_100011996573_100011214939 [0,1,0,1,0,0|2,0,0]=4 9475 B18R1.35414 C=CCC1CCCCC1NCCCCCCCO 270004a_100011996573_100011214939 [0,1,0,1,0,0|2,0,0]=4 9476 B18R1.35414 C=CCC1CCCCC1NCCCOCCCC 269862a_200000211371_100011214939 [0,1,0,1,0,0|2,0,0]=4 9477 B18R1.35414 C=CCC1CCCCC1NCCCOCCCC 270004a_200000211371_100011214939 [0,1,0,1,0,0|2,0,0]=4 9478 B18R1.35414 C=CCCCCCCCN1CCCCC1CCO 2230a_100000211664_100012355270 [0,1,0,1,0,0|2,0,0]=4 9479 B18R1.35414 C=CCCCCCCCN1CCCCC1CCO 269982a_100000211664_100012355270 [0,1,0,1,0,0|2,0,0]=4 9480 B18R1.35414 C=CCCCCCCCN1CCCCC1CCO 34a_100000211664_100012355270 [0,1,0,1,0,0|2,0,0]=4 9481 B18R1.35414 C=CCCCCCCCN1CCCCC1COC 2230a_100015184032_100012355270 [0,1,0,1,0,0|2,0,0]=4 9482 B18R1.35414 C=CCCCCCCCN1CCCCC1COC 269982a_100015184032_100012355270 [0,1,0,1,0,0|2,0,0]=4 9483 B18R1.35414 C=CCCCCCCCN1CCCCC1COC 34a_100015184032_100012355270 [0,1,0,1,0,0|2,0,0]=4 9484 B18R1.35414 C=CCCCCCCCN1CCOCC1CCC 2230a_102495339903_100012355270 [0,1,0,1,0,0|2,0,0]=4 9485 B18R1.35414 C=CCCCCCCCN1CCOCC1CCC 269982a_102495339903_100012355270 [0,1,0,1,0,0|2,0,0]=4 9486 B18R1.35414 C=CCCCCCCCN1CCOCC1CCC 34a_102495339903_100012355270 [0,1,0,1,0,0|2,0,0]=4 9487 B18R1.35414 CCCC1CCCCC1NCCCCCCCO 269862a_100011996573_100011218038 [0,1,0,1,0,0|0,0,2]=4 9488 B18R1.35414 CCCC1CCCCC1NCCCCCCCO 270004a_100011996573_100011218038 [0,1,0,1,0,0|0,0,2]=4 9489 B18R1.35414 CCCC1CCCCC1OCCCCCCC#N 7a_100011217265_100009813337 [0,1,0,1,0,0|1,0,1]=4 9490 B18R1.35414 CCCC1CCCCC1OCCCCCCCO 34a_100011217265_100000760002 [0,1,0,1,0,0|0,0,2]=4 9491 B18R1.35414 CCCC1CCCCC1OCCCCCCCO 7a_100011217265_100000760002 [0,1,0,1,0,0|0,0,2]=4 9492 B18R1.35414 CCCC1CCCCC1OCCCCCCOC 34a_100011217265_100011998445 [0,1,0,1,0,0|2,0,0]=4 9493 B18R1.35414 CCCC1CCCCC1OCCCCCCOC 7a_100011217265_100011998445 [0,1,0,1,0,0|2,0,0]=4 9494 B18R1.35414 CCCC1CCCCN1CCCCCCCCO 2230a_100000701414_100000033203 [0,1,0,1,0,0|0,0,2]=4 9495 B18R1.35414 CCCC1CCCCN1CCCCCCCCO 269982a_100000701414_100000033203 [0,1,0,1,0,0|0,0,2]=4 9496 B18R1.35414 CCCC1CCCCN1CCCCCCCCO 34a_100000701414_100000033203 [0,1,0,1,0,0|0,0,2]=4 9497 B18R1.35414 CCCCCCCCCN1CCCCC1CC#N 2230a_100000133382_100011214924 [0,1,0,1,0,0|1,0,1]=4 9498 B18R1.35414 CCCCCCCCCN1CCCCC1CC#N 34a_100000133382_100011214924 [0,1,0,1,0,0|1,0,1]=4 9499 B18R1.35414 CCCCCCCCCN1CCCCC1CCO 2230a_100000211664_100011214924 [0,1,0,1,0,0|0,0,2]=4 9500 B18R1.35414 CCCCCCCCCN1CCCCC1CCO 269982a_100000211664_100000210670 [0,1,0,1,0,0|0,0,2]=4 9501 B18R1.35414 CCCCCCCCCN1CCCCC1CCO 34a_100000211664_100011214924 [0,1,0,1,0,0|0,0,2]=4 9502 B18R1.35414 CCCCCCCCCN1CCCCC1COC 2230a_100015184032_100011214924 [0,1,0,1,0,0|2,0,0]=4 9503 B18R1.35414 CCCCCCCCCN1CCCCC1COC 269982a_100015184032_100000210670 [0,1,0,1,0,0|2,0,0]=4 9504 B18R1.35414 CCCCCCCCCN1CCCCC1COC 34a_100015184032_100011214924 [0,1,0,1,0,0|2,0,0]=4 9505 B18R1.35414 CCCCCCCCNC1CCCCC1CC#N 270004a_100000229939_100009866218 [0,1,0,1,0,0|1,0,1]=4 9506 B18R1.35418 C#CCCCCCCCN1CCCCCCCC1 2230a_100000039187_100153394163 [0,1,0,1,0,0|1,0,1]=4 9507 B18R1.35418 C#CCCCCCCCN1CCCCCCCC1 269982a_100000039187_100153394163 [0,1,0,1,0,0|1,0,1]=4 9508 B18R1.35418 C#CCCCCCCCN1CCCCCCCC1 34a_100000039187_100153394163 [0,1,0,1,0,0|1,0,1]=4 9509 B18R1.35418 OCCCCCCCCN1CCCCCCCC1 2230a_100000039187_100000033203 [0,1,0,1,0,0|0,0,2]=4 9510 B18R1.35418 OCCCCCCCCN1CCCCCCCC1 269982a_100000039187_100000033203 [0,1,0,1,0,0|0,0,2]=4 9511 B18R1.35418 OCCCCCCCCN1CCCCCCCC1 34a_100000039187_100000033203 [0,1,0,1,0,0|0,0,2]=4 9512 B18R1.35418 OCCCCCCCNC1CCCCCCCC1 270004a_100011996573_100000038600 [0,1,0,1,0,0|0,0,2]=4 9513 B18R1.40540 C=CCCCCCCCCN1CCC[C@H]1COC 2230a_100020646714_100011933949 [0,1,0,1,0,0|2,0,0]=4 9514 B18R1.40540 C=CCCCCCCCCN1CCC[C@H]1COC 269982a_100020646714_100011933949 [0,1,0,1,0,0|2,0,0]=4 9515 B18R1.40540 C=CCCCCCCCCN1CCC[C@H]1COC 34a_100020646714_100011933949 [0,1,0,1,0,0|2,0,0]=4 9516 B18R1.40540 C=CCCCCCCOCC1CCCN1CCC 34a_200000694710_100011215473 [0,1,0,1,0,0|2,0,0]=4 9517 B18R1.40540 C=CCCCCCCOCC1CCCN1CCC 7a_200000694710_100011215473 [0,1,0,1,0,0|2,0,0]=4 9518 B18R1.40540 CCCC1CCCC1NCCCCCCCCO 269862a_102515433106_100000723119 [0,1,0,1,0,0|0,0,2]=4 9519 B18R1.40540 CCCC1CCCC1NCCCCCCCCO 270004a_102515433106_100000723119 [0,1,0,1,0,0|0,0,2]=4 9520 B18R1.40540 CCCCCCCCCCN1CCC[C@H]1COC 2230a_100020646714_100000210320 [0,1,0,1,0,0|2,0,0]=4 9521 B18R1.40540 CCCCCCCCCCN1CCC[C@H]1COC 269982a_100020646714_100000210320 [0,1,0,1,0,0|2,0,0]=4 9522 B18R1.40540 CCCCCCCCCCN1CCC[C@H]1COC 34a_100020646714_100000210320 [0,1,0,1,0,0|2,0,0]=4 9523 B18R1.40549 C#CCCCCCCCNC1CCCCCCC1 2230a_100000211152_100153394163 [0,1,0,1,0,0|1,0,1]=4 9524 B18R1.40549 C#CCCCCCCCNC1CCCCCCC1 34a_100000211152_100153394163 [0,1,0,1,0,0|1,0,1]=4 9525 B18R1.40549 C#CCCCCCCOCC1CCCCCCC1 34a_100011216312_100012276617 [0,1,0,1,0,0|1,0,1]=4 9526 B18R1.40549 C#CCCCCCCOCC1CCCCCCC1 7a_100011216312_100012276617 [0,1,0,1,0,0|1,0,1]=4 9527 B18R1.40549 C#CCCCCCNCCC1CCCCCCC1 2230a_100011532352_100012094781 [0,1,0,1,0,0|1,0,1]=4 9528 B18R1.40549 C#CCCCCCNCCC1CCCCCCC1 34a_100011532352_100012094781 [0,1,0,1,0,0|1,0,1]=4 9529 B18R1.40549 COCCCCCCOCC1CCCCCCC1 34a_100011216312_100011998445 [0,1,0,1,0,0|2,0,0]=4 9530 B18R1.40549 COCCCCCCOCC1CCCCCCC1 7a_100011216312_100011998445 [0,1,0,1,0,0|2,0,0]=4 9531 B18R1.40549 FCCCCCCNCCC1CCCCCCC1 2230a_100011532352_100015922095 [0,1,0,1,0,0|1,0,1]=4 9532 B18R1.40549 FCCCCCCNCCC1CCCCCCC1 34a_100011532352_100015922095 [0,1,0,1,0,0|1,0,1]=4 9533 B18R1.40549 N#CCCCCCCOCC1CCCCCCC1 7a_100011216312_100009813337 [0,1,0,1,0,0|1,0,1]=4 9534 B18R1.40549 N#CCCCCCNCCC1CCCCCCC1 2230a_100011532352_100009813376 [0,1,0,1,0,0|1,0,1]=4 9535 B18R1.40549 O=CCCCCCNCCC1CCCCCCC1 2230a_100011532352_100000139337 [0,1,0,1,0,0|0,0,0]=2 9536 B18R1.40549 OCCCCCCCCCN1CCCCCCC1 2230a_100000211400_100009813782 [0,1,0,1,0,0|0,0,2]=4 9537 B18R1.40549 OCCCCCCCCCN1CCCCCCC1 269982a_100000211400_100009813782 [0,1,0,1,0,0|0,0,2]=4 9538 B18R1.40549 OCCCCCCCCCN1CCCCCCC1 34a_100000211400_100009813782 [0,1,0,1,0,0|0,0,2]=4 9539 B18R1.40549 OCCCCCCCCNC1CCCCCCC1 2230a_100000211152_100000033203 [0,1,0,1,0,0|0,0,2]=4 9540 B18R1.40549 OCCCCCCCCNC1CCCCCCC1 270004a_102515433106_100000210524 [0,1,0,1,0,0|0,0,2]=4 9541 B18R1.40549 OCCCCCCCCNC1CCCCCCC1 34a_100000211152_100000033203 [0,1,0,1,0,0|0,0,2]=4 9542 B18R1.40549 OCCCCCCCCOC1C=CCCCCC1 34a_100000688657_100000033203 [0,1,0,1,0,0|2,0,0]=4 9543 B18R1.40549 OCCCCCCCCOC1CCCCCCC1 34a_100000210054_100000033203 [0,1,0,1,0,0|0,0,2]=4 9544 B18R1.40549 OCCCCCCCCOC1CCCCCCC1 7a_100000210054_100000033203 [0,1,0,1,0,0|0,0,2]=4 9545 B18R1.40549 OCCCCCCCOCC1CCCCCCC1 34a_100011216312_100000760002 [0,1,0,1,0,0|0,0,2]=4 9546 B18R1.40549 OCCCCCCCOCC1CCCCCCC1 7a_100011216312_100000760002 [0,1,0,1,0,0|0,0,2]=4 9547 B18R1.40549 OCCCCCCNCCC1CCCCCCC1 2230a_100011532352_100000766143 [0,1,0,1,0,0|0,0,2]=4 9548 B18R1.40549 OCCCCCCNCCC1CCCCCCC1 34a_100011532352_100000766143 [0,1,0,1,0,0|0,0,2]=4 9549 B18R1.27 C=CCCCCCCCCCN1CCC(CC1)F 2230a_100015193889_100009814027 [0,1,0,1,0,0|2,0,0]=4 9550 B18R1.27 C=CCCCCCCCCCN1CCC(CC1)F 269982a_100015193889_100009814027 [0,1,0,1,0,0|2,0,0]=4 9551 B18R1.27 C=CCCCCCCCCCN1CCC(CC1)F 34a_100015193889_100009814027 [0,1,0,1,0,0|2,0,0]=4 9552 B18R1.27 C=CCCCCCCCCCN1CCC(CC1)O 2230a_100025773856_100009814027 [0,1,0,1,0,0|2,0,0]=4 9553 B18R1.27 C=CCCCCCCCCCN1CCC(CC1)O 269982a_100025773856_100009814027 [0,1,0,1,0,0|2,0,0]=4 9554 B18R1.27 C=CCCCCCCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100011933949 [0,1,0,1,0,0|2,0,0]=4 9555 B18R1.27 C=CCCCCCCCNCC1CCC(CC1)C 2230a_103436935547_100012355270 [0,1,0,1,0,0|2,0,0]=4 9556 B18R1.27 C=CCCCCCCCNCC1CCC(CC1)C 34a_103436935547_100012355270 [0,1,0,1,0,0|2,0,0]=4 9557 B18R1.27 C=CCCCCCCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100012355270 [0,1,0,1,0,0|2,0,0]=4 9558 B18R1.27 C=CCCCCCCNCCC1CCC(CC1)O 34a_200011935226_100011215473 [0,1,0,1,0,0|2,0,0]=4 9559 B18R1.27 C=CCCCCCCOCCC1CCC(CC1)N 34a_100000070672_100011215473 [0,1,0,1,0,0|2,0,0]=4 9560 B18R1.27 CN1CCC(CC1)CCCOCCCCCC=O 7a_100000083870_100000139337 [0,1,0,1,0,0|2,0,0]=4 9561 B18R1.681 C=CCCCCCCCNC1CCCC(C1C)C 2230a_100000211273_100012355270 [0,1,0,1,0,0|2,0,0]=4 9562 B18R1.681 C=CCCCCCCCNC1CCCC(C1C)C 34a_100000211273_100012355270 [0,1,0,1,0,0|2,0,0]=4 9563 B18R1.1165 CCC(C)CCCCCOC1CCCCCC1=O 7a_200000035636_100000243696 [0,1,0,1,0,0|1,0,0]=3 9564 B18R1.1165 CCC(C)CCCCCOC1CCCCNC1=O 7a_200000035636_100000735217 [0,1,0,1,0,0|2,0,0]=4 9565 B18R1.13153 CCCCCCCCCCNC1CCN(C1=O)C 2230a_100000684558_100000755940 [0,1,0,1,0,0|2,0,0]=4 9566 B18R1.13153 CCCCCCCCCCNC1CCN(C1=O)C 34a_100000684558_100000755940 [0,1,0,1,0,0|2,0,0]=4 9567 B18R1.13153 CCCCCCCCCCOC1CCN(C1=O)C 34a_100000210711_100000755940 [0,1,0,1,0,0|2,0,0]=4 9568 B18R1.13153 CCCCCCCCCCOC1CCN(C1=O)C 7a_100000210711_100000755940 [0,1,0,1,0,0|2,0,0]=4 9569 B18R1.13153 CCCCCCCCCCSC1CCN(C1=O)C 62a_100000755940_100000210320 [0,1,0,1,0,0|2,0,0]=4 9570 B18R1.13153 CCCCCCCCCOCC1CCN(C1=O)C 34a_100009823153_100011214924 [0,1,0,1,0,0|2,0,0]=4 9571 B18R1.33223 C=CC(O)CNC1CCCCCCCCCCC1 2230a_100011194316_100000730141 [0,1,0,1,0,0|2,0,0]=4 9572 B18R1.33223 C=CC(O)CNC1CCCCCCCCCCC1 34a_100011194316_100000730141 [0,1,0,1,0,0|2,0,0]=4 9573 B18R1.33223 C=CC(O)COC1CCCCCCCCCCC1 34a_100000211378_100000730141 [0,1,0,1,0,0|2,0,0]=4 9574 B18R1.33223 C=CC(O)COC1CCCCCCCCCCC1 7a_100000211378_100000730141 [0,1,0,1,0,0|2,0,0]=4 9575 B18R1.34249 CCC(C)CCCCCOCCN1CCCC1=O 7a_200000035636_100000739059 [0,1,0,1,0,0|2,0,0]=4 9576 B18R1.34802 CC(CF)OC1CCCCCCCCCCC1=O 34a_100016041109_200009990614 [0,1,0,1,0,0|2,0,0]=4 9577 B18R1.34802 CC(CF)OC1CCCCCCCCCCC1=O 7a_100016041109_200009990614 [0,1,0,1,0,0|2,0,0]=4 9578 B18R1.34802 CC(CN)OC1CCCCCCCCCCC1=O 34a_100000210904_200009990614 [0,1,0,1,0,0|2,0,0]=4 9579 B18R1.34802 CC(CO)SC1CCCCCCCCCCC1=O 62a_100012180447_200009990614 [0,1,0,1,0,0|2,0,0]=4 9580 B18R1.34802 CCC(C)NC1CCCCCCCCCCC1=O 2230a_100000209981_200009990614 [0,1,0,1,0,0|1,0,0]=3 9581 B18R1.34802 CCC(C)OC1CCCCCCCCCCC1=O 7a_100000210228_200009990614 [0,1,0,1,0,0|1,0,0]=3 9582 B18R1.34802 COC(C)SC1CCCCCCCCCCC1=O 62a_100009879195_200009990614 [0,1,0,1,0,0|2,0,0]=4 9583 B18R1.34802 COC(C)SC1CCCCCCCCCCC1=O 62a_200009990614_100009879195 [0,1,0,1,0,0|2,0,0]=4 9584 B18R1.34802 C[C@H](CO)NC1CCCCCCCCCCC1=O 2230a_100000737577_200009990614 [0,1,0,1,0,0|2,0,0]=4 9585 B18R1.34802 C[C@H](CO)SC1CCCCCCCCCCC1=O 62a_100016084084_200009990614 [0,1,0,1,0,0|2,0,0]=4 9586 B18R1.34802 C[C@H](CO)SC1CCCCCCCCCCC1=O 62a_200009990614_100016084084 [0,1,0,1,0,0|2,0,0]=4 9587 B18R1.40569 C=CCCCCCCCCN1CCCC(CC1)O 2230a_100015186869_100011933949 [0,1,0,1,0,0|2,0,0]=4 9588 B18R1.40569 C=CCCCCCCCCN1CCCC(CC1)O 269982a_100015186869_100011933949 [0,1,0,1,0,0|2,0,0]=4 9589 B18R1.49463 C=CCCCCCCCCCCNCC1(CC1)O 2230a_100011936951_100011093070 [0,1,0,1,0,0|2,0,0]=4 9590 B18R1.61753 CCCCCCCCNC1CCCCN(C1=O)C 2230a_100159325733_100000210759 [0,1,0,1,0,0|2,0,0]=4 9591 B18R1.61753 CCCCCCCCNC1CCCCN(C1=O)C 34a_100159325733_100000210759 [0,1,0,1,0,0|2,0,0]=4 9592 B18R1.180547 C=CCCCCCCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011093070 [0,1,0,1,0,0|2,0,0]=4 9593 B18R1.180547 C=CCCCCCCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011093070 [0,1,0,1,0,0|2,0,0]=4 9594 B18R1.1338 CCCCC(C)NCCCN1CCCCCC1=O 2230a_100000195386_200011215066 [0,1,0,1,0,0|2,0,0]=4 9595 B18R1.1338 CCCCC(C)NCCCN1CCCCCC1=O 270004a_100000195386_100000210087 [0,1,0,1,0,0|2,0,0]=4 9596 B18R1.1338 CCCCC(C)NCCCN1CCCCCC1=O 34a_100000195386_200011215066 [0,1,0,1,0,0|2,0,0]=4 9597 B18R1.1373 CCCCC(C)CCCCOC1CCCCC1=O 34a_200011021034_100000754470 [0,1,0,1,0,0|1,0,0]=3 9598 B18R1.1373 CCCCC(C)CCCCOC1CCCCC1=O 7a_200011021034_100000204591 [0,1,0,1,0,0|1,0,0]=3 9599 B18R1.1373 CCCCC(C)CCCCOC1CCCNC1=O 34a_200011021034_100000687798 [0,1,0,1,0,0|2,0,0]=4 9600 B18R1.1373 CCCCC(C)CCCCOC1CCCNC1=O 7a_200011021034_100000687798 [0,1,0,1,0,0|2,0,0]=4 9601 B18R1.1373 CCCCC(C)CCCCOC1COCCC1=O 34a_200011021034_100012180262 [0,1,0,1,0,0|2,0,0]=4 9602 B18R1.1373 CCCCC(C)CCCCOC1COCCC1=O 7a_200011021034_100012180262 [0,1,0,1,0,0|2,0,0]=4 9603 B18R1.41862 CCCCC(C)CCCCOCCC1CCC1=O 7a_200011021034_200016118888 [0,1,0,1,0,0|1,0,0]=3 9604 B18R1.94597 CCCCCCCCCCNC1C(=O)CCC1=O 2230a_100000684558_100009820769 [0,1,0,1,0,0|1,0,1]=4 9605 B18R1.94597 CCCCCCCCCCOC1C(=O)CCC1=O 7a_100000210711_100009820769 [0,1,0,1,0,0|1,0,1]=4 9606 B18R1.94597 CCCCCCCCCCSC1C(=O)CCC1=O 62a_100009820769_100000210320 [0,1,0,1,0,0|1,0,1]=4 9607 B18R1.180546 C=CCCCCCCCCNCC1(CCCC1)O 2230a_100000737848_100011933949 [0,1,0,1,0,0|2,0,0]=4 9608 B18R1.180546 C=CCCCCCCCCOCC1(CCCC1)N 34a_100000749328_100011933949 [0,1,0,1,0,0|2,0,0]=4 9609 B18R1.180546 C=CCCCCCCCNCCC1(CCCC1)O 34a_100000719956_100012355270 [0,1,0,1,0,0|2,0,0]=4 9610 B18R1.880 CCCC(C)CNCCCN1CCCCCC1=O 2230a_100000195386_100011216630 [0,1,0,1,0,0|2,0,0]=4 9611 B18R1.880 CCCC(C)CNCCCN1CCCCCC1=O 270004a_100000195386_100000243154 [0,1,0,1,0,0|2,0,0]=4 9612 B18R1.880 CCCC(C)CNCCCN1CCCCCC1=O 34a_100000195386_100011216630 [0,1,0,1,0,0|2,0,0]=4 9613 B18R1.28810 CCCC(=O)C1CCCCCCCCCCC1=O 1458a_100000211992_200009990614 [0,1,0,1,0,0|0,0,1]=3 9614 B18R1.28810 CCCN(C)C1CCCCCCCCCCC1=O 2230a_100000747261_200009990614 [0,1,0,1,0,0|1,0,0]=3 9615 B18R1.28810 CCCN(C)C1CCCCCCCCCCC1=O 269982a_100000747261_200009990614 [0,1,0,1,0,0|1,0,0]=3 9616 B18R1.28810 CN(CCO)C1CCCCCCCCCCC1=O 2230a_100000210263_200009990614 [0,1,0,1,0,0|2,0,0]=4 9617 B18R1.28810 CN(CCO)C1CCCCCCCCCCC1=O 269982a_100000210263_200009990614 [0,1,0,1,0,0|2,0,0]=4 9618 B18R1.28810 COCC(=O)C1CCCCCCCCCCC1=O 1458a_100000210968_200009990614 [0,1,0,1,0,0|1,0,1]=4 9619 B18R1.28810 CSCC(=O)C1CCCCCCCCCCC1=O 1458a_100000184570_200009990614 [0,1,0,1,0,0|1,0,1]=4 9620 B18R1.28810 O=C(CCO)C1CCCCCCCCCCC1=O 1458a_100011216618_200009990614 [0,1,0,1,0,0|1,0,1]=4 9621 B18R1.34998 CCCCCCCCCCNC1CC(OC1=O)C 2230a_100000684558_200000216747 [0,1,0,1,0,0|2,0,0]=4 9622 B18R1.34998 CCCCCCCCCCNC1CC(OC1=O)C 34a_100000684558_200000216747 [0,1,0,1,0,0|2,0,0]=4 9623 B18R1.34998 CCCCCCCCCCOC1CC(OC1=O)C 34a_100000210711_200000216747 [0,1,0,1,0,0|2,0,0]=4 9624 B18R1.34998 CCCCCCCCCCOC1CC(OC1=O)C 7a_100000210711_200000216747 [0,1,0,1,0,0|2,0,0]=4 9625 B18R1.34998 CCCCCCCCCCSC1CC(OC1=O)C 62a_200000216747_100000210320 [0,1,0,1,0,0|2,0,0]=4 9626 B18R1.49730 C=CCCCCCCCCCNCC(O)C1CC1 2230a_100000751198_100009814027 [0,1,0,1,0,0|2,0,0]=4 9627 B18R1.49730 C=CCCCCCCCCCNCC(O)C1CC1 34a_100000751198_100009814027 [0,1,0,1,0,0|2,0,0]=4 9628 B18R1.49730 C=CCCCCCCCCCOC[C@H](N)C1CC1 34a_100020623730_100009814027 [0,1,0,1,0,0|2,0,0]=4 9629 B18R1.252902 C=CCCCCCCCCCNCC1(CCC1)O 2230a_100000752638_100009814027 [0,1,0,1,0,0|2,0,0]=4 9630 B18R1.4106 COCCCC1CCCN(C1)CCCCCC=O 2230a_200011934583_100000139337 [0,1,0,1,0,0|2,0,0]=4 9631 B18R1.4106 COCCCC1CCCN(C1)CCCCCC=O 269982a_200011934583_100000139337 [0,1,0,1,0,0|2,0,0]=4 9632 B18R1.41515 CCCCCCCCCCCC(=O)C1CCC1=O 1458a_100000210736_100009892977 [0,1,0,1,0,0|0,0,1]=3 9633 B18R1.252903 C=CCCCCCCCNCC1(CCCCC1)O 2230a_100000748649_100012355270 [0,1,0,1,0,0|2,0,0]=4 9634 B18R1.252903 C=CCCCCCCCNCC1(CCCCC1)O 34a_100000748649_100012355270 [0,1,0,1,0,0|2,0,0]=4 9635 B18R1.252903 C=CCCCCCCCOCC1(CCCCC1)N 34a_100000740034_100012355270 [0,1,0,1,0,0|2,0,0]=4 9636 B18R1.252903 C=CCCCCCCNCCC1(CCCCC1)O 2230a_100102740465_100011215473 [0,1,0,1,0,0|2,0,0]=4 9637 B18R1.252903 C=CCCCCCCNCCC1(CCCCC1)O 34a_100102740465_100011215473 [0,1,0,1,0,0|2,0,0]=4 9638 B18R1.293864 CC1CCCC(N1CCNCCCCCC=O)C 2230a_100000749955_100000139337 [0,1,0,1,0,0|2,0,0]=4 9639 B18R1.293864 CC1CCCC(N1CCOCCCCCC=O)C 7a_100011305576_100000139337 [0,1,0,1,0,0|2,0,0]=4 9640 B18R1.293864 CCCCCCCCCNC1C(=O)CCCC1=O 2230a_100000212291_100009814513 [0,1,0,1,0,0|1,0,1]=4 9641 B18R1.293864 CCCCCCCCCOC1C(=O)CCCC1=O 7a_100000210712_100009814513 [0,1,0,1,0,0|1,0,1]=4 9642 B18R1.293864 CCCCCCCCCSC1C(=O)CCCC1=O 62a_100009814513_100000210670 [0,1,0,1,0,0|1,0,1]=4 9643 B18R1.1311 C=CCCCCCOC[C@@H](N)CC1CCCCC1 34a_100015184289_100000700193 [0,1,0,1,0,0|2,0,0]=4 9644 B18R1.1311 O=CCCCCCNC[C@H](O)CN1CCCCC1 2230a_100015205997_100000139337 [0,1,0,1,0,0|2,0,0]=4 9645 B18R1.10541 CCCCCCCC(=O)CN1CCCCCC1=O 1458a_100000181294_100000210614 [0,1,0,1,0,0|1,0,1]=4 9646 B18R1.10541 CCCCCCCC(C)NC1CCCCNC1=O 2230a_100000698827_200011218727 [0,1,0,1,0,0|2,0,0]=4 9647 B18R1.10541 CCCCCCCC(C)NC1CCCCNC1=O 270004a_100000698827_100000210596 [0,1,0,1,0,0|2,0,0]=4 9648 B18R1.10541 CCCCCCCC(C)NC1CCCCNC1=O 34a_100000698827_200011218727 [0,1,0,1,0,0|2,0,0]=4 9649 B18R1.10541 CCCCCCCC(C)OC1CCCCCC1=O 7a_200011215852_100000243696 [0,1,0,1,0,0|1,0,0]=3 9650 B18R1.10541 CCCCCCCC(C)OC1CCCCNC1=O 7a_200011215852_100000735217 [0,1,0,1,0,0|2,0,0]=4 9651 B18R1.10541 CCCCCCCC(C)SC1CCCCNC1=O 62a_100000735217_200011218727 [0,1,0,1,0,0|2,0,0]=4 9652 B18R1.10541 CCCCCCCC(C)SC1CCCCNC1=O 62a_200011218727_100000735217 [0,1,0,1,0,0|2,0,0]=4 9653 B18R1.10542 CC1CCCCN1CCN(C)CCCCCC=O 2230a_200011233311_100000139337 [0,1,0,1,0,0|2,0,0]=4 9654 B18R1.10542 CC1CCCCN1CCN(C)CCCCCC=O 269982a_200011233311_100000139337 [0,1,0,1,0,0|2,0,0]=4 9655 B18R1.10542 CCCCCCCC(=O)CCN1CCCCC1=O 1458a_100011236303_100000210614 [0,1,0,1,0,0|1,0,1]=4 9656 B18R1.10542 CCCCCCCC(C)OCC1CCCCC1=O 34a_100009861125_200011218727 [0,1,0,1,0,0|1,0,0]=3 9657 B18R1.10542 CCCCCCCC(C)OCC1CCCCC1=O 7a_100009861125_200011218727 [0,1,0,1,0,0|1,0,0]=3 9658 B18R1.23582 CCCCCCCC(C)NCCN1CCCC1=O 2230a_100011200922_200011218727 [0,1,0,1,0,0|2,0,0]=4 9659 B18R1.23582 CCCCCCCC(C)NCCN1CCCC1=O 270004a_100011200922_100000210596 [0,1,0,1,0,0|2,0,0]=4 9660 B18R1.23582 CCCCCCCC(C)OCCN1CCCC1=O 34a_100000211209_200011218727 [0,1,0,1,0,0|2,0,0]=4 9661 B18R1.23582 CCCCCCCC(C)OCCN1CCCC1=O 34a_200011215852_100000739059 [0,1,0,1,0,0|2,0,0]=4 9662 B18R1.23582 CCCCCCCC(C)OCCN1CCCC1=O 7a_100000211209_200011218727 [0,1,0,1,0,0|2,0,0]=4 9663 B18R1.23582 CCCCCCCC(C)OCCN1CCCC1=O 7a_200011215852_100000739059 [0,1,0,1,0,0|2,0,0]=4 9664 B18R1.23582 CCCCCCCC(C)SCCN1CCCC1=O 62a_100000739059_200011218727 [0,1,0,1,0,0|2,0,0]=4 9665 B18R1.23582 CCCCCCCC(C)SCCN1CCCC1=O 62a_200011218727_100000739059 [0,1,0,1,0,0|2,0,0]=4 9666 B18R1.24263 CC1CCCCN1C(C)COCCCCCC=O 7a_200011934825_100000139337 [0,1,0,1,0,0|2,0,0]=4 9667 B18R1.24263 CCCCCCCCCC(=O)C1CCCCC1=O 1458a_100000210558_100000204591 [0,1,0,1,0,0|0,0,1]=3 9668 B18R1.24263 CCCCCCCCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210670 [0,1,0,1,0,0|1,0,1]=4 9669 B18R1.24263 CCCCCCCCCC(=O)C1CCCNC1=O 1458a_100000210558_100000687798 [0,1,0,1,0,0|1,0,1]=4 9670 B18R1.24263 CCCCCCCCCC(=O)C1COCCC1=O 1458a_100000210558_100012180262 [0,1,0,1,0,0|1,0,1]=4 9671 B18R1.24263 CCCCCCCCCN(C)C1CCCCC1=O 269982a_100000232482_100000204591 [0,1,0,1,0,0|1,0,0]=3 9672 B18R1.24263 CCCCCCCCCN(C)C1CCCNC1=O 2230a_100000232482_100000687798 [0,1,0,1,0,0|2,0,0]=4 9673 B18R1.24263 CCCCCCCCCN(C)C1CCCNC1=O 269982a_100000232482_100000687798 [0,1,0,1,0,0|2,0,0]=4 9674 B18R1.24265 CCCCCCCCCC(=O)CCC1CCC1=O 1458a_100000210558_200016118888 [0,1,0,1,0,0|0,0,1]=3 9675 B18R1.24265 CCCCCCCCCN(C)CCC1CCC1=O 2230a_100000232482_200016118888 [0,1,0,1,0,0|1,0,0]=3 9676 B18R1.24265 CCCCCCCCCN(C)CCC1CCC1=O 269982a_100000232482_200016118888 [0,1,0,1,0,0|1,0,0]=3 9677 B18R1.24272 CCCCCCCCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210670 [0,1,0,1,0,0|1,0,1]=4 9678 B18R1.24272 CCCCCCCCCC(C)NC1CCNC1=O 270004a_100016995588_100011215753 [0,1,0,1,0,0|2,0,0]=4 9679 B18R1.24272 CCCCCCCCCC(C)OC1CCCC1=O 34a_100011218016_100000709159 [0,1,0,1,0,0|1,0,0]=3 9680 B18R1.24272 CCCCCCCCCC(C)OC1CCCC1=O 7a_100011218016_100000211823 [0,1,0,1,0,0|1,0,0]=3 9681 B18R1.24272 CCCCCCCCCC(C)OC1CCOC1=O 34a_100011218016_100000211211 [0,1,0,1,0,0|2,0,0]=4 9682 B18R1.24272 CCCCCCCCCC(C)OC1CCOC1=O 7a_100011218016_100000211211 [0,1,0,1,0,0|2,0,0]=4 9683 B18R1.24272 CCCCCCCCCN(C)CN1CCCC1=O 269982a_100000232482_100000026320 [0,1,0,1,0,0|2,0,0]=4 9684 B18R1.105601 CN(CCCCCC=O)CCN1CCCCCC1 269982a_106744473495_100000139337 [0,1,0,1,0,0|2,0,0]=4 9685 B18R1.1146 C=CCCCCCCOC[C@H](N)C1CCCCC1 34a_100009817630_100011215473 [0,1,0,1,0,0|2,0,0]=4 9686 B18R1.1146 C=CCCCCCOCCC(N)C1CCCCC1 34a_200020622111_100000700193 [0,1,0,1,0,0|2,0,0]=4 9687 B18R1.7206 CCCCCCC(=O)CCN1CCCCCC1=O 1458a_200011207554_100000210757 [0,1,0,1,0,0|1,0,1]=4 9688 B18R1.7207 CCCCCCC(=O)CCCN1CCCCC1=O 1458a_100011236284_100000210757 [0,1,0,1,0,0|1,0,1]=4 9689 B18R1.7207 CCCCCCC(C)CCOC1CCCCC1=O 34a_200011024964_100000754470 [0,1,0,1,0,0|1,0,0]=3 9690 B18R1.7207 CCCCCCC(C)CCOC1CCCCC1=O 7a_200011024964_100000204591 [0,1,0,1,0,0|1,0,0]=3 9691 B18R1.7207 CCCCCCC(C)CCOC1CCCNC1=O 34a_200011024964_100000687798 [0,1,0,1,0,0|2,0,0]=4 9692 B18R1.7207 CCCCCCC(C)CCOC1CCCNC1=O 7a_200011024964_100000687798 [0,1,0,1,0,0|2,0,0]=4 9693 B18R1.7207 CCCCCCC(C)CCOC1COCCC1=O 34a_200011024964_100012180262 [0,1,0,1,0,0|2,0,0]=4 9694 B18R1.7207 CCCCCCC(C)CCOC1COCCC1=O 7a_200011024964_100012180262 [0,1,0,1,0,0|2,0,0]=4 9695 B18R1.7207 CCCCCCC(C)NCCN1CCCCC1=O 2230a_100160573077_100011215978 [0,1,0,1,0,0|2,0,0]=4 9696 B18R1.7207 CCCCCCC(C)NCCN1CCCCC1=O 270004a_100160573077_100000210826 [0,1,0,1,0,0|2,0,0]=4 9697 B18R1.7207 CCCCCCC(C)NCCN1CCCCC1=O 34a_100160573077_100011215978 [0,1,0,1,0,0|2,0,0]=4 9698 B18R1.13569 CCCCCCCCCCC(C)OC1CCC1=O 34a_100011215000_100009892977 [0,1,0,1,0,0|1,0,0]=3 9699 B18R1.13569 CCCCCCCCCCC(C)OC1CCC1=O 7a_100011215000_100009892977 [0,1,0,1,0,0|1,0,0]=3 9700 B18R1.23347 CCCCCCC(C)NCCCN1CCCC1=O 2230a_100000210347_100011215978 [0,1,0,1,0,0|2,0,0]=4 9701 B18R1.23347 CCCCCCC(C)NCCCN1CCCC1=O 270004a_100000210347_100000210826 [0,1,0,1,0,0|2,0,0]=4 9702 B18R1.23347 CCCCCCC(C)NCCCN1CCCC1=O 34a_100000210347_100011215978 [0,1,0,1,0,0|2,0,0]=4 9703 B18R1.23347 CCCCCCC(C)OCCCN1CCCC1=O 34a_100011216539_100011215978 [0,1,0,1,0,0|2,0,0]=4 9704 B18R1.23347 CCCCCCC(C)OCCCN1CCCC1=O 7a_100011216539_100011215978 [0,1,0,1,0,0|2,0,0]=4 9705 B18R1.23362 CCCCCCC(C)CCOCCC1CCC1=O 7a_200011024964_200016118888 [0,1,0,1,0,0|1,0,0]=3 9706 B18R1.36734 CCCCCCCCCCC(=O)C1CCCC1=O 1458a_100000210375_100000211823 [0,1,0,1,0,0|0,0,1]=3 9707 B18R1.36734 CCCCCCCCCCC(=O)C1CCOC1=O 1458a_100000210375_100000211211 [0,1,0,1,0,0|1,0,1]=4 9708 B18R1.36734 CCCCCCCCCCN(C)C1CCCC1=O 2230a_100000207566_100000211823 [0,1,0,1,0,0|1,0,0]=3 9709 B18R1.36734 CCCCCCCCCCN(C)C1CCCC1=O 269982a_100000207566_100000211823 [0,1,0,1,0,0|1,0,0]=3 9710 B18R1.36734 CCCCCCCCCCN(C)C1CCOC1=O 2230a_100000207566_100000211211 [0,1,0,1,0,0|2,0,0]=4 9711 B18R1.36734 CCCCCCCCCCN(C)C1CCOC1=O 269982a_100000207566_100000211211 [0,1,0,1,0,0|2,0,0]=4 9712 B18R1.36734 CCCCCCCCOCC(=O)C1CCCC1=O 1458a_100000759886_100000211823 [0,1,0,1,0,0|1,0,1]=4 9713 B18R1.36734 O=C(CCCCCCCCCF)C1CCCC1=O 1458a_200009909015_100000211823 [0,1,0,1,0,0|1,0,1]=4 9714 B18R1.74560 CN(CCCCC=O)CCCN1CCCCCC1 269982a_200000231118_100000139335 [0,1,0,1,0,0|2,0,0]=4 9715 B18R2.1019 CCC1CCCCC1NCCN2CCCC2=O 269862a_100011200922_100000757040 [0,0,0,2,0,0|2,0,0]=4 9716 B18R2.1019 CCC1CCCCC1NCCN2CCCC2=O 270004a_100011200922_100000757040 [0,0,0,2,0,0|2,0,0]=4 9717 B18R2.1019 CCC1CCCCC1OCCN2CCCC2=O 34a_100000210738_100000739059 [0,0,0,2,0,0|2,0,0]=4 9718 B18R2.1019 CCC1CCCCC1OCCN2CCCC2=O 7a_100000210738_100000739059 [0,0,0,2,0,0|2,0,0]=4 9719 B18R2.1019 CCC1CCCCN1CCNC2CCCC2=O 2230a_100000755458_100000211823 [0,0,0,2,0,0|2,0,0]=4 9720 B18R2.1019 CCC1CCCCN1CCNC2CCCC2=O 34a_100000755458_100000709159 [0,0,0,2,0,0|2,0,0]=4 9721 B18R2.1033 CCC1CCCCN1CCCNC2CCC2=O 34a_100011191702_100009892977 [0,0,0,2,0,0|2,0,0]=4 9722 B18R2.1033 CCN1CCCCC1CNCCC2CCC2=O 2230a_100000754393_200016118888 [0,0,0,2,0,0|2,0,0]=4 9723 B18R2.1033 CCN1CCCCC1COCCC2CCC2=O 7a_100000225091_200016118888 [0,0,0,2,0,0|2,0,0]=4 9724 B18R2.1039 CCN1CCCCC1CNC2CCCCC2=O 34a_100000754393_100000754470 [0,0,0,2,0,0|2,0,0]=4 9725 B18R2.1039 CCN1CCCCC1COC2CCCCC2=O 34a_100000225091_100000754470 [0,0,0,2,0,0|2,0,0]=4 9726 B18R2.1039 CCN1CCCCC1COC2CCCCC2=O 7a_100000225091_100000204591 [0,0,0,2,0,0|2,0,0]=4 9727 B18R2.7574 C=CCC1CCCCC1N2CCCCC2CC 270004a_100000210034_100011214939 [0,0,0,2,0,0|2,0,0]=4 9728 B18R2.9737 C=CCCCCCN1CCC2CCCCC2C1 2230a_100000211783_100000700193 [0,0,0,2,0,0|2,0,0]=4 9729 B18R2.9737 C=CCCCCCN1CCC2CCCCC2C1 269982a_100000211783_100000700193 [0,0,0,2,0,0|2,0,0]=4 9730 B18R2.9737 C=CCCCCCN1CCC2CCCCC2C1 34a_100000211783_100000700193 [0,0,0,2,0,0|2,0,0]=4 9731 B18R2.9737 C=CCCCCNC1CCC2CCCCC2C1 270004a_100000703577_100000211418 [0,0,0,2,0,0|2,0,0]=4 9732 B18R2.9737 C=CCCCCOC1CCC2CCCCC2C1 34a_100000211317_100011215482 [0,0,0,2,0,0|2,0,0]=4 9733 B18R2.9737 C=CCCCCOC1CCC2CCCCC2C1 7a_100000211317_100011215482 [0,0,0,2,0,0|2,0,0]=4 9734 B18R2.9737 O=CCCCCCN1CCC2CCCCC2C1 2230a_100000211783_100000139337 [0,0,0,2,0,0|1,0,0]=3 9735 B18R2.9737 O=CCCCCCN1CCC2CCCCC2C1 269982a_100000211783_100000139337 [0,0,0,2,0,0|1,0,0]=3 9736 B18R2.9737 O=CCCCCCN1CCN2CCCCC2C1 2230a_100000746566_100000139337 [0,0,0,2,0,0|2,0,0]=4 9737 B18R2.9737 O=CCCCCCN1CCN2CCCCC2C1 269982a_100000746566_100000139337 [0,0,0,2,0,0|2,0,0]=4 9738 B18R2.9737 O=CCCCCOC1CCC2CCCCC2C1 7a_100000211317_100000139335 [0,0,0,2,0,0|1,0,0]=3 9739 B18R2.36360 C=CCCCCCCCN1CC2CCC1CC2 2230a_100000750499_100012355270 [0,0,0,2,0,0|2,0,0]=4 9740 B18R2.36360 C=CCCCCCCCN1CC2CCC1CC2 269982a_100000750499_100012355270 [0,0,0,2,0,0|2,0,0]=4 9741 B18R2.36360 C=CCCCCCCCN1CC2CCC1CC2 34a_100000750499_100012355270 [0,0,0,2,0,0|2,0,0]=4 9742 B18R2.36360 CCCCCCCNCC1CC2C=CC1CC2 269862a_100000229938_100010619355 [0,0,0,2,0,0|2,0,0]=4 9743 B18R2.113427 CCC1CCCCC1NC2CCCCNC2=O 269862a_100000698827_100000757040 [0,0,0,2,0,0|2,0,0]=4 9744 B18R2.113427 CCC1CCCCC1NC2CCCCNC2=O 270004a_100000698827_100000757040 [0,0,0,2,0,0|2,0,0]=4 9745 B18R2.113427 CCC1CCCCC1OC2CCCCCC2=O 7a_100000210738_100000243696 [0,0,0,2,0,0|1,0,0]=3 9746 B18R2.113427 CCC1CCCCC1OC2CCCCNC2=O 7a_100000210738_100000735217 [0,0,0,2,0,0|2,0,0]=4 9747 B18R2.113427 CO[C@H]1CCCC[C@@H]1OC2CCCCCC2=O 7a_200009815850_100000243696 [0,0,0,2,0,0|2,0,0]=4 9748 B18R2.338 C=CCCCN1CCCCC1C2CCCCC2 2230a_100011219272_100011713584 [0,0,0,2,0,0|2,0,0]=4 9749 B18R2.338 C=CCCCN1CCCCC1C2CCCCC2 269982a_100011219272_100000757094 [0,0,0,2,0,0|2,0,0]=4 9750 B18R2.338 C=CCCCN1CCCCC1C2CCCCC2 34a_100011219272_100000757094 [0,0,0,2,0,0|2,0,0]=4 9751 B18R2.338 C=CCCNC1CCCCC1C2CCCCC2 2230a_200011339469_100000754431 [0,0,0,2,0,0|2,0,0]=4 9752 B18R2.338 C=CCCNC1CCCCC1C2CCCCC2 270004a_100015191253_100000210889 [0,0,0,2,0,0|2,0,0]=4 9753 B18R2.338 C=CCCNC1CCCCC1C2CCCCC2 34a_200011339469_100000754431 [0,0,0,2,0,0|2,0,0]=4 9754 B18R2.338 C=CCCOC1CCCCC1C2CCCCC2 34a_100011217387_100000754431 [0,0,0,2,0,0|2,0,0]=4 9755 B18R2.338 C=CCCOC1CCCCC1C2CCCCC2 7a_100011217387_100000754431 [0,0,0,2,0,0|2,0,0]=4 9756 B18R2.338 O=CCCCN1CCCCC1C2CCCCC2 2230a_100011219272_200011292268 [0,0,0,2,0,0|1,0,0]=3 9757 B18R2.338 O=CCCCN1CCCCC1C2CCCCC2 269982a_100011219272_200011292268 [0,0,0,2,0,0|1,0,0]=3 9758 B18R2.338 O=CCCCN1CCOC[C@@H]1C2CCCCC2 2230a_100015984746_200011292268 [0,0,0,2,0,0|2,0,0]=4 9759 B18R2.338 O=CCCCN1CCOC[C@@H]1C2CCCCC2 269982a_100015984746_200011292268 [0,0,0,2,0,0|2,0,0]=4 9760 B18R2.1810 COCCCC1CCCCN1C2CCCC2=O 2230a_100011804088_100000211823 [0,0,0,2,0,0|2,0,0]=4 9761 B18R2.1810 COCCCC1CCCCN1C2CCCC2=O 269982a_100011804088_100000211823 [0,0,0,2,0,0|2,0,0]=4 9762 B18R2.1810 COCCCC1CCCCN1C2CCCC2=O 34a_100011804088_100000709159 [0,0,0,2,0,0|2,0,0]=4 9763 B18R2.3023 O=CCCCN1CCCCC1CN2CCCC2 2230a_200011224931_200011292268 [0,0,0,2,0,0|2,0,0]=4 9764 B18R2.3023 O=CCCCN1CCCCC1CN2CCCC2 269982a_200011224931_200011292268 [0,0,0,2,0,0|2,0,0]=4 9765 B18R2.110 C=CCCCCN1CCCC1C2CCCCC2 2230a_100011206067_100011215482 [0,0,0,2,0,0|2,0,0]=4 9766 B18R2.110 C=CCCCCN1CCCC1C2CCCCC2 269982a_100011206067_100011215482 [0,0,0,2,0,0|2,0,0]=4 9767 B18R2.110 C=CCCCCN1CCCC1C2CCCCC2 34a_100011206067_100011215482 [0,0,0,2,0,0|2,0,0]=4 9768 B18R2.110 O=CCCCCN1CCCC1C2CCCCC2 2230a_100011206067_100000139335 [0,0,0,2,0,0|1,0,0]=3 9769 B18R2.110 O=CCCCCN1CCCC1C2CCCCC2 269982a_100011206067_100000139335 [0,0,0,2,0,0|1,0,0]=3 9770 B18R2.3780 O=CCCCCN1CCCC1CN2CCCC2 2230a_100000746075_100000139335 [0,0,0,2,0,0|2,0,0]=4 9771 B18R2.3780 O=CCCCCN1CCCC1CN2CCCC2 269982a_100000746075_100000139335 [0,0,0,2,0,0|2,0,0]=4 9772 B18R2.63426 O=C1CCCCCCCCCCC1NC2CC2 34a_100000212008_200009990614 [0,0,0,2,0,0|1,0,0]=3 9773 B18R2.63426 O=C1CCCCCCCCCCC1SC2CC2 62a_200009990614_100000211595 [0,0,0,2,0,0|1,0,0]=3 9774 B18R2.337492 O=C1CCCCCCCCCCC1N2CCC2 269982a_100000754969_200009990614 [0,0,0,2,0,0|1,0,0]=3 9775 B18R2.2464 O=CCCCCCN1CCOC12CCCCC2 269982a_200015422347_100000139337 [0,0,0,2,0,0|2,0,0]=4 9776 B18R2.2525 C1=CC(CCC1)OCCCCC2CCCCC2 7a_100011215267_100000751183 [0,0,0,2,0,0|2,0,0]=4 9777 B18R2.2627 C=CCC1CCCCC1NCC2CCCCC2 269862a_100000210473_100011214939 [0,0,0,2,0,0|2,0,0]=4 9778 B18R2.2627 C=CCC1CCCCC1NCC2CCCCC2 270004a_100000210473_100011214939 [0,0,0,2,0,0|2,0,0]=4 9779 B18R2.3984 O=C1CCCCC1COCCC2CCCCC2 34a_100009861125_100011209188 [0,0,0,2,0,0|1,0,0]=3 9780 B18R2.3984 O=C1CCCCC1COCCC2CCCCC2 7a_100009861125_100011273959 [0,0,0,2,0,0|1,0,0]=3 9781 B18R2.3984 O=C1CCCCC1COCCC2CCOCC2 34a_100009861125_100011934994 [0,0,0,2,0,0|2,0,0]=4 9782 B18R2.3984 O=C1CCCCC1COCCC2CCOCC2 7a_100009861125_100011934994 [0,0,0,2,0,0|2,0,0]=4 9783 B18R2.3984 O=C1CCCCC1COCCN2CCCCC2 34a_100009861125_100000739454 [0,0,0,2,0,0|2,0,0]=4 9784 B18R2.3984 O=C1CCCCC1COCCN2CCCCC2 7a_100009861125_100000739454 [0,0,0,2,0,0|2,0,0]=4 9785 B18R2.3984 O=C1CCCCC1COCOC2CCCCC2 34a_100009861125_100011935260 [0,0,0,2,0,0|2,0,0]=4 9786 B18R2.3984 O=C1CCCCC1COCOC2CCCCC2 7a_100009861125_100011935260 [0,0,0,2,0,0|2,0,0]=4 9787 B18R2.3984 O=C1CCCCC1NCCCC2CCCCC2 34a_100011211642_100000754470 [0,0,0,2,0,0|1,0,0]=3 9788 B18R2.3984 O=C1CCCCC1NCCOC2CCCCC2 34a_100015206981_100000754470 [0,0,0,2,0,0|2,0,0]=4 9789 B18R2.3984 O=C1CCCCC1OCCCC2CCCCC2 34a_100000198086_100000754470 [0,0,0,2,0,0|1,0,0]=3 9790 B18R2.3984 O=C1CCCCC1OCCCC2CCCCC2 34a_100011214950_100011713725 [0,0,0,2,0,0|1,0,0]=3 9791 B18R2.3984 O=C1CCCCC1OCCCC2CCCCC2 7a_100000198086_100000204591 [0,0,0,2,0,0|1,0,0]=3 9792 B18R2.3984 O=C1CCCCC1OCCCC2CCCCN2 34a_100011934581_100000754470 [0,0,0,2,0,0|2,0,0]=4 9793 B18R2.3984 O=C1CCCCC1OCCCC2CCCNC2 34a_100150707839_100000754470 [0,0,0,2,0,0|2,0,0]=4 9794 B18R2.3984 O=C1CCCCC1OCCCC2CCNCC2 34a_100016988962_100000754470 [0,0,0,2,0,0|2,0,0]=4 9795 B18R2.3984 O=C1CCCCC1OCCCN2CCCCC2 34a_100000212458_100000754470 [0,0,0,2,0,0|2,0,0]=4 9796 B18R2.3984 O=C1CCCCC1OCCCN2CCCCC2 34a_100011214950_100000690320 [0,0,0,2,0,0|2,0,0]=4 9797 B18R2.3984 O=C1CCCCC1OCCNC2CCCCC2 34a_100000200466_100000754470 [0,0,0,2,0,0|2,0,0]=4 9798 B18R2.3984 O=C1CCCCC1OCCOC2CCCCC2 34a_100011214950_100011211530 [0,0,0,2,0,0|2,0,0]=4 9799 B18R2.3984 O=C1CCCCC1OCCOC2CCCCC2 34a_100011249652_100000754470 [0,0,0,2,0,0|2,0,0]=4 9800 B18R2.3984 O=C1CCCCC1OCCOC2CCCCC2 7a_100011249652_100000204591 [0,0,0,2,0,0|2,0,0]=4 9801 B18R2.3984 O=C1CCCCC1SCCCC2CCCCC2 62a_100000204591_100011713725 [0,0,0,2,0,0|1,0,0]=3 9802 B18R2.3984 O=C1CCCCC1SCCCC2CCCCC2 62a_100011713725_100000204591 [0,0,0,2,0,0|1,0,0]=3 9803 B18R2.3984 O=C1CCCCC1SCCCN2CCCCC2 62a_100000204591_100000007876 [0,0,0,2,0,0|2,0,0]=4 9804 B18R2.3984 O=C1CCCCC1SCCCN2CCCCC2 62a_100132302099_100000204591 [0,0,0,2,0,0|2,0,0]=4 9805 B18R2.3984 O=C1CCCCC1SCCOC2CCCCC2 62a_100000204591_100011211530 [0,0,0,2,0,0|2,0,0]=4 9806 B18R2.3984 O=C1CCCCC1SCCOC2CCCCC2 62a_100011211530_100000204591 [0,0,0,2,0,0|2,0,0]=4 9807 B18R2.3984 O=C1CCCCN1CCNCC2CCCCC2 2230a_100160573077_100000211423 [0,0,0,2,0,0|2,0,0]=4 9808 B18R2.3984 O=C1CCCCN1CCNCC2CCCCC2 269862a_100160573077_100000211278 [0,0,0,2,0,0|2,0,0]=4 9809 B18R2.3984 O=C1CCCCN1CCNCC2CCCCC2 34a_100160573077_100000211423 [0,0,0,2,0,0|2,0,0]=4 9810 B18R2.3984 O=C1CCOCC1NCCCC2CCCCC2 34a_100011211642_100012180262 [0,0,0,2,0,0|2,0,0]=4 9811 B18R2.3984 O=C1CCOCC1OCCCC2CCCCC2 34a_100000198086_100012180262 [0,0,0,2,0,0|2,0,0]=4 9812 B18R2.3984 O=C1CCOCC1OCCCC2CCCCC2 7a_100000198086_100012180262 [0,0,0,2,0,0|2,0,0]=4 9813 B18R2.3984 O=C1CCOCC1SCCCC2CCCCC2 62a_100011713725_100012180262 [0,0,0,2,0,0|2,0,0]=4 9814 B18R2.3984 O=C1CCOCC1SCCCC2CCCCC2 62a_100012180262_100011713725 [0,0,0,2,0,0|2,0,0]=4 9815 B18R2.3984 O=C1NCCCC1NCCCC2CCCCC2 2230a_100000747585_100011713725 [0,0,0,2,0,0|2,0,0]=4 9816 B18R2.3984 O=C1NCCCC1NCCCC2CCCCC2 2230a_100011211642_100000687798 [0,0,0,2,0,0|2,0,0]=4 9817 B18R2.3984 O=C1NCCCC1NCCCC2CCCCC2 34a_100000747585_100011713725 [0,0,0,2,0,0|2,0,0]=4 9818 B18R2.3984 O=C1NCCCC1NCCCC2CCCCC2 34a_100011211642_100000687798 [0,0,0,2,0,0|2,0,0]=4 9819 B18R2.3984 O=C1NCCCC1OCCCC2CCCCC2 34a_100000073722_100011713725 [0,0,0,2,0,0|2,0,0]=4 9820 B18R2.3984 O=C1NCCCC1OCCCC2CCCCC2 34a_100000198086_100000687798 [0,0,0,2,0,0|2,0,0]=4 9821 B18R2.3984 O=C1NCCCC1OCCCC2CCCCC2 7a_100000198086_100000687798 [0,0,0,2,0,0|2,0,0]=4 9822 B18R2.3984 O=C1NCCCC1SCCCC2CCCCC2 62a_100000687798_100011713725 [0,0,0,2,0,0|2,0,0]=4 9823 B18R2.3984 O=C1NCCCC1SCCCC2CCCCC2 62a_100011713725_100000687798 [0,0,0,2,0,0|2,0,0]=4 9824 B18R2.4091 O=C1CCCC1NCCCOC2CCCCC2 34a_100000205933_100000709159 [0,0,0,2,0,0|2,0,0]=4 9825 B18R2.4091 O=C1CCCC1OCCCCC2CCCCC2 34a_100011215267_100000709159 [0,0,0,2,0,0|1,0,0]=3 9826 B18R2.4091 O=C1CCCC1OCCCCC2CCCCC2 7a_100011215267_100000211823 [0,0,0,2,0,0|1,0,0]=3 9827 B18R2.4091 O=C1CCCC1OCCCCC2CCNCC2 34a_100016989291_100000709159 [0,0,0,2,0,0|2,0,0]=4 9828 B18R2.4091 O=C1CCCN1CCCNCC2CCCCC2 2230a_100000210347_100000211423 [0,0,0,2,0,0|2,0,0]=4 9829 B18R2.4091 O=C1CCCN1CCCNCC2CCCCC2 269862a_100000210347_100000211278 [0,0,0,2,0,0|2,0,0]=4 9830 B18R2.4091 O=C1CCCN1CCCNCC2CCCCC2 34a_100000210347_100000211423 [0,0,0,2,0,0|2,0,0]=4 9831 B18R2.4091 O=C1CCCN1CCCOCC2CCCCC2 34a_100011216539_100000211423 [0,0,0,2,0,0|2,0,0]=4 9832 B18R2.4091 O=C1CCCN1CCCOCC2CCCCC2 7a_100011216539_100000211423 [0,0,0,2,0,0|2,0,0]=4 9833 B18R2.4091 O=C1CCCN1CCNCCC2CCCCC2 2230a_100000738074_100000739059 [0,0,0,2,0,0|2,0,0]=4 9834 B18R2.4091 O=C1CCCN1CCNCCC2CCCCC2 2230a_100011200922_100012355289 [0,0,0,2,0,0|2,0,0]=4 9835 B18R2.4091 O=C1CCCN1CCNCCC2CCCCC2 270004a_100011200922_100011713444 [0,0,0,2,0,0|2,0,0]=4 9836 B18R2.4091 O=C1CCCN1CCNCCC2CCCCC2 34a_100000738074_100000739059 [0,0,0,2,0,0|2,0,0]=4 9837 B18R2.4091 O=C1CCCN1CCOCCC2CCCCC2 34a_100000211209_100011209188 [0,0,0,2,0,0|2,0,0]=4 9838 B18R2.4091 O=C1CCCN1CCOCCC2CCCCC2 34a_100011217863_100000739059 [0,0,0,2,0,0|2,0,0]=4 9839 B18R2.4091 O=C1CCCN1CCOCCC2CCCCC2 7a_100000211209_100011273959 [0,0,0,2,0,0|2,0,0]=4 9840 B18R2.4091 O=C1CCCN1CCOCCC2CCCCC2 7a_100011217863_100000739059 [0,0,0,2,0,0|2,0,0]=4 9841 B18R2.4091 O=C1CCCN1CCSCCC2CCCCC2 62a_100000739059_100012355289 [0,0,0,2,0,0|2,0,0]=4 9842 B18R2.4091 O=C1CCCN1CCSCCC2CCCCC2 62a_100012355289_100000739059 [0,0,0,2,0,0|2,0,0]=4 9843 B18R2.4091 O=C1CCCN1CSCCCC2CCCCC2 62a_100000026320_100011713725 [0,0,0,2,0,0|2,0,0]=4 9844 B18R2.4091 O=C1CCCN1CSCCCC2CCCCC2 62a_100011713725_100000026320 [0,0,0,2,0,0|2,0,0]=4 9845 B18R2.4091 O=C1NCCC1COCCCC2CCCCC2 34a_100000133458_100011713725 [0,0,0,2,0,0|2,0,0]=4 9846 B18R2.4091 O=C1OCCC1OCCCCC2CCCCC2 34a_100011215267_100000211211 [0,0,0,2,0,0|2,0,0]=4 9847 B18R2.4091 O=C1OCCC1OCCCCC2CCCCC2 7a_100011215267_100000211211 [0,0,0,2,0,0|2,0,0]=4 9848 B18R2.4796 O=C1CCCCCC1OCCC2CCCCC2 7a_100011217863_100000243696 [0,0,0,2,0,0|1,0,0]=3 9849 B18R2.4796 O=C1CCCCCC1OCCC2CCOCC2 7a_100011933979_100000243696 [0,0,0,2,0,0|2,0,0]=4 9850 B18R2.4796 O=C1CCCCCC1SCCC2CCCCC2 62a_100000243696_100012355289 [0,0,0,2,0,0|1,0,0]=3 9851 B18R2.4796 O=C1CCCCCC1SCCC2CCCCC2 62a_100012355289_100000243696 [0,0,0,2,0,0|1,0,0]=3 9852 B18R2.4796 O=C1CCCCCC1SCCC2CCOCC2 62a_100000243696_100011934994 [0,0,0,2,0,0|2,0,0]=4 9853 B18R2.4796 O=C1CCCCCC1SCCC2CCOCC2 62a_100011934994_100000243696 [0,0,0,2,0,0|2,0,0]=4 9854 B18R2.4796 O=C1CCCCCC1SCCN2CCCCC2 62a_100000243696_100000739454 [0,0,0,2,0,0|2,0,0]=4 9855 B18R2.4796 O=C1CCCCCC1SCCN2CCCCC2 62a_100000739454_100000243696 [0,0,0,2,0,0|2,0,0]=4 9856 B18R2.4796 O=C1CCCCCC1SCOC2CCCCC2 62a_100000243696_100011935260 [0,0,0,2,0,0|2,0,0]=4 9857 B18R2.4796 O=C1CCCCCC1SCOC2CCCCC2 62a_100011935260_100000243696 [0,0,0,2,0,0|2,0,0]=4 9858 B18R2.4796 O=C1NCCCCC1NCCC2CCCCC2 2230a_100000698827_100012355289 [0,0,0,2,0,0|2,0,0]=4 9859 B18R2.4796 O=C1NCCCCC1NCCC2CCCCC2 2230a_100000738074_100000735217 [0,0,0,2,0,0|2,0,0]=4 9860 B18R2.4796 O=C1NCCCCC1NCCC2CCCCC2 270004a_100000698827_100011713444 [0,0,0,2,0,0|2,0,0]=4 9861 B18R2.4796 O=C1NCCCCC1NCCC2CCCCC2 34a_100000698827_100011209188 [0,0,0,2,0,0|2,0,0]=4 9862 B18R2.4796 O=C1NCCCCC1OCCC2CCCCC2 7a_100011217863_100000735217 [0,0,0,2,0,0|2,0,0]=4 9863 B18R2.4796 O=C1NCCCCC1SCCC2CCCCC2 62a_100000735217_100012355289 [0,0,0,2,0,0|2,0,0]=4 9864 B18R2.4796 O=C1NCCCCC1SCCC2CCCCC2 62a_100012355289_100000735217 [0,0,0,2,0,0|2,0,0]=4 9865 B18R2.6514 O=C1CCC1CCNCCCC2CCCCC2 2230a_100011211642_200016118888 [0,0,0,2,0,0|1,0,0]=3 9866 B18R2.6514 O=C1CCC1CCOCCCC2CCCCC2 7a_100000198086_200016118888 [0,0,0,2,0,0|1,0,0]=3 9867 B18R2.6514 O=C1CCC1CCOCCOC2CCCCC2 7a_100011249652_200016118888 [0,0,0,2,0,0|2,0,0]=4 9868 B18R2.6514 O=C1CCC1CCSCCCC2CCCCC2 62a_100011713725_200016118888 [0,0,0,2,0,0|1,0,0]=3 9869 B18R2.6514 O=C1CCC1CCSCCCC2CCCCC2 62a_200016118888_100011713725 [0,0,0,2,0,0|1,0,0]=3 9870 B18R2.6514 O=C1CCC1CCSCCCN2CCCCC2 62a_100132302099_200016118888 [0,0,0,2,0,0|2,0,0]=4 9871 B18R2.6514 O=C1CCC1CCSCCCN2CCCCC2 62a_200016118888_100000007876 [0,0,0,2,0,0|2,0,0]=4 9872 B18R2.6514 O=C1CCC1CCSCCOC2CCCCC2 62a_100011211530_200016118888 [0,0,0,2,0,0|2,0,0]=4 9873 B18R2.6514 O=C1CCC1CCSCCOC2CCCCC2 62a_200016118888_100011211530 [0,0,0,2,0,0|2,0,0]=4 9874 B18R2.6514 O=C1CCC1OCCCCCN2CCCCC2 34a_100011216611_100009892977 [0,0,0,2,0,0|2,0,0]=4 9875 B18R2.6514 O=C1CCC1OCCCCCN2CCCCC2 7a_100011216611_100009892977 [0,0,0,2,0,0|2,0,0]=4 9876 B18R2.7245 O=CCCCN1CCCC1CN2CCCCC2 2230a_200000725506_200011292268 [0,0,0,2,0,0|2,0,0]=4 9877 B18R2.7245 O=CCCCN1CCCC1CN2CCCCC2 269982a_200000725506_200011292268 [0,0,0,2,0,0|2,0,0]=4 9878 B18R2.9645 C=CCCCCCNCC1CC12CCCCC2 2230a_100015185624_100000700193 [0,0,0,2,0,0|2,0,0]=4 9879 B18R2.9645 C=CCCCCCNCC1CC12CCCCC2 34a_100015185624_100000700193 [0,0,0,2,0,0|2,0,0]=4 9880 B18R2.9645 O=CCCCCCNCC1CC12CCCCC2 2230a_100015185624_100000139337 [0,0,0,2,0,0|1,0,0]=3 9881 B18R2.36220 C=CCCCCCCCCCN1CC2CC2C1 2230a_100000741873_100009814027 [0,0,0,2,0,0|2,0,0]=4 9882 B18R2.36220 C=CCCCCCCCCCN1CC2CC2C1 269982a_100000741873_100009814027 [0,0,0,2,0,0|2,0,0]=4 9883 B18R2.36220 C=CCCCCCCCCCN1CC2CC2C1 34a_100000741873_100009814027 [0,0,0,2,0,0|2,0,0]=4 9884 B18R2.122002 C=CCCCCCCCCN1C2CCC1CC2 2230a_100000735658_100011933949 [0,0,0,2,0,0|2,0,0]=4 9885 B18R2.122002 C=CCCCCCCCCN1C2CCC1CC2 269982a_100000735658_100011933949 [0,0,0,2,0,0|2,0,0]=4 9886 B18R2.122002 C=CCCCCCCCCN1C2CCC1CC2 34a_100000735658_100011933949 [0,0,0,2,0,0|2,0,0]=4 9887 B18R2.122002 C=CCCCCCCCOC1C2CCC1CC2 34a_100000730831_100009813300 [0,0,0,2,0,0|2,0,0]=4 9888 B18R2.126804 C1=CC(CCC1)NCCC2CCCCCCC2 2230a_100011532352_100000751183 [0,0,0,2,0,0|2,0,0]=4 9889 B18R2.126804 C1=CC(CCCCC1)OCCC2CCCCC2 34a_100000688657_100011209188 [0,0,0,2,0,0|2,0,0]=4 9890 B18R2.165811 C=CCCCCCN1CCCC2C1CCCC2 2230a_100000211887_100000700193 [0,0,0,2,0,0|2,0,0]=4 9891 B18R2.165811 C=CCCCCCN1CCCC2C1CCCC2 269982a_100000211887_100000700193 [0,0,0,2,0,0|2,0,0]=4 9892 B18R2.165811 C=CCCCCCN1CCCC2C1CCCC2 34a_100000211887_100000700193 [0,0,0,2,0,0|2,0,0]=4 9893 B18R2.165811 C=CCCCCNC1CCCC2C1CCCC2 269862a_100000703577_100000032293 [0,0,0,2,0,0|2,0,0]=4 9894 B18R2.165811 C=CCCCCOC1CCCC2C1CCCC2 34a_100000042559_100011215482 [0,0,0,2,0,0|2,0,0]=4 9895 B18R2.165811 C=CCCCCOC1CCCC2C1CCCC2 7a_100000042559_100011215482 [0,0,0,2,0,0|2,0,0]=4 9896 B18R2.165811 O=CCCCCCN1CCCC2C1CCCC2 2230a_100000211887_100000139337 [0,0,0,2,0,0|1,0,0]=3 9897 B18R2.165811 O=CCCCCCN1CCCC2C1CCCC2 269982a_100000211887_100000139337 [0,0,0,2,0,0|1,0,0]=3 9898 B18R2.165811 O=CCCCCCN1CCOC2C1CCCC2 2230a_200000741227_100000139337 [0,0,0,2,0,0|2,0,0]=4 9899 B18R2.165811 O=CCCCCCN1CCOC2C1CCCC2 269982a_200000741227_100000139337 [0,0,0,2,0,0|2,0,0]=4 9900 B18R2.165811 O=CCCCCOC1CCCC2C1CCCC2 7a_100000042559_100000139335 [0,0,0,2,0,0|1,0,0]=3 9901 B18R2.165811 O=CCCCOC[C@@H]1CCCN2[C@@H]1CCCC2 7a_200009815849_200011292268 [0,0,0,2,0,0|2,0,0]=4 9902 B18R2.720155 C=CCCCCCCCCOC1CCC2C1C2 34a_200012295571_100011933949 [0,0,0,2,0,0|2,0,0]=4 9903 B18R2.6133 O=C1CCCCCC1OCCCC2CCCC2 7a_100011215328_100000243696 [0,0,0,2,0,0|1,0,0]=3 9904 B18R2.6133 O=C1CCCCCC1OCCOC2CCCC2 7a_100000738311_100000243696 [0,0,0,2,0,0|2,0,0]=4 9905 B18R2.6133 O=C1CCCCCC1SCCCC2CCCC2 62a_100000243696_100011713738 [0,0,0,2,0,0|1,0,0]=3 9906 B18R2.6133 O=C1CCCCCC1SCCCC2CCCC2 62a_100011713738_100000243696 [0,0,0,2,0,0|1,0,0]=3 9907 B18R2.6133 O=C1CCCCCC1SCCCN2CCCC2 62a_100000243696_100011445909 [0,0,0,2,0,0|2,0,0]=4 9908 B18R2.6133 O=C1CCCCCC1SCCCN2CCCC2 62a_100016991639_100000243696 [0,0,0,2,0,0|2,0,0]=4 9909 B18R2.6133 O=C1CCCCCN1CCCNC2CCCC2 2230a_100000195386_100000179811 [0,0,0,2,0,0|2,0,0]=4 9910 B18R2.6133 O=C1CCCCCN1CCCNC2CCCC2 270004a_100000195386_100000210133 [0,0,0,2,0,0|2,0,0]=4 9911 B18R2.6133 O=C1CCCCCN1CCCNC2CCCC2 34a_100000195386_100000179811 [0,0,0,2,0,0|2,0,0]=4 9912 B18R2.6133 O=C1NCCCCC1NCCCC2CCCC2 2230a_100000698827_100011713738 [0,0,0,2,0,0|2,0,0]=4 9913 B18R2.6133 O=C1NCCCCC1NCCCC2CCCC2 2230a_100000736752_100000735217 [0,0,0,2,0,0|2,0,0]=4 9914 B18R2.6133 O=C1NCCCCC1NCCCC2CCCC2 34a_100000698827_100011713738 [0,0,0,2,0,0|2,0,0]=4 9915 B18R2.6133 O=C1NCCCCC1OCCCC2CCCC2 7a_100011215328_100000735217 [0,0,0,2,0,0|2,0,0]=4 9916 B18R2.6133 O=C1NCCCCC1SCCCC2CCCC2 62a_100000735217_100011713738 [0,0,0,2,0,0|2,0,0]=4 9917 B18R2.6133 O=C1NCCCCC1SCCCC2CCCC2 62a_100011713738_100000735217 [0,0,0,2,0,0|2,0,0]=4 9918 B18R2.6141 CN1CCCC1CCOC2CCCCCC2=O 7a_100011215177_100000243696 [0,0,0,2,0,0|2,0,0]=4 9919 B18R2.6141 CN1CCCC1CCSC2CCCCCC2=O 62a_100000005710_100000243696 [0,0,0,2,0,0|2,0,0]=4 9920 B18R2.6141 CN1CCCC1CCSC2CCCCCC2=O 62a_100000243696_100000005710 [0,0,0,2,0,0|2,0,0]=4 9921 B18R2.21142 CCN1CCC[C@@H]1COC2CCCCCC2=O 7a_100011739246_100000243696 [0,0,0,2,0,0|2,0,0]=4 9922 B18R2.40223 CN1CCCCC1CSC2CCCCCC2=O 62a_100000243696_100015185383 [0,0,0,2,0,0|2,0,0]=4 9923 B18R2.40223 CN1CCCCC1CSC2CCCCCC2=O 62a_100015185383_100000243696 [0,0,0,2,0,0|2,0,0]=4 9924 B18R2.46029 CCCC1CCCCN1C2CCCCCC2=O 269982a_100000701414_100000243696 [0,0,0,2,0,0|1,0,0]=3 9925 B18R2.46029 CCCC1CCCCN1C2CCCCNC2=O 2230a_100000701414_100000735217 [0,0,0,2,0,0|2,0,0]=4 9926 B18R2.46029 CCCC1CCCCN1C2CCCCNC2=O 269982a_100000701414_100000735217 [0,0,0,2,0,0|2,0,0]=4 9927 B18R2.46029 CCCC1COCCN1C2CCCCCC2=O 269982a_102495339903_100000243696 [0,0,0,2,0,0|2,0,0]=4 9928 B18R2.46029 COCC1CCCCN1C2CCCCCC2=O 269982a_100015184032_100000243696 [0,0,0,2,0,0|2,0,0]=4 9929 B18R2.46029 O=C1CCCCCC1N2CCCCC2CCO 269982a_100000211664_100000243696 [0,0,0,2,0,0|2,0,0]=4 9930 B18R2.50273 CCCC1CCCC1NC2CCCCNC2=O 269862a_100000698827_100000723119 [0,0,0,2,0,0|2,0,0]=4 9931 B18R2.50273 CCCC1CCCC1NC2CCCCNC2=O 270004a_100000698827_100000723119 [0,0,0,2,0,0|2,0,0]=4 9932 B18R2.60689 O=C1CCCCCC1OCC2CCCCCC2 7a_100000699130_100000243696 [0,0,0,2,0,0|1,0,0]=3 9933 B18R2.60689 O=C1CCCCCC1SCC2CCCCCC2 62a_100000243696_200000696569 [0,0,0,2,0,0|1,0,0]=3 9934 B18R2.60689 O=C1CCCCCC1SCC2CCCCCC2 62a_200000696569_100000243696 [0,0,0,2,0,0|1,0,0]=3 9935 B18R2.60689 O=C1NCCCCC1NCC2CCCCCC2 2230a_100000698827_200000696569 [0,0,0,2,0,0|2,0,0]=4 9936 B18R2.60689 O=C1NCCCCC1NCC2CCCCCC2 2230a_100015204231_100000735217 [0,0,0,2,0,0|2,0,0]=4 9937 B18R2.60689 O=C1NCCCCC1NCC2CCCCCC2 269862a_100000698827_200000763224 [0,0,0,2,0,0|2,0,0]=4 9938 B18R2.60689 O=C1NCCCCC1NCC2CCCCCC2 34a_100000698827_200000696569 [0,0,0,2,0,0|2,0,0]=4 9939 B18R2.60689 O=C1NCCCCC1OCC2CCCCCC2 7a_100000699130_100000735217 [0,0,0,2,0,0|2,0,0]=4 9940 B18R2.60689 O=C1NCCCCC1SCC2CCCCCC2 62a_100000735217_200000696569 [0,0,0,2,0,0|2,0,0]=4 9941 B18R2.60689 O=C1NCCCCC1SCC2CCCCCC2 62a_200000696569_100000735217 [0,0,0,2,0,0|2,0,0]=4 9942 B18R2.60736 O=C1CCCCCC1N2CCCCCCCC2 269982a_100000039187_100000243696 [0,0,0,2,0,0|1,0,0]=3 9943 B18R2.60736 O=C1NCCCCC1N2CCCCCCCC2 2230a_100000039187_100000735217 [0,0,0,2,0,0|2,0,0]=4 9944 B18R2.60736 O=C1NCCCCC1N2CCCCCCCC2 269982a_100000039187_100000735217 [0,0,0,2,0,0|2,0,0]=4 9945 B18R2.60769 O=C1CCCCCN1CCCNCCC2CC2 2230a_100000195386_100000694398 [0,0,0,2,0,0|2,0,0]=4 9946 B18R2.60769 O=C1CCCCCN1CCCNCCC2CC2 34a_100000195386_100000694398 [0,0,0,2,0,0|2,0,0]=4 9947 B18R2.60804 O=C1CCCCCC1OC2CCCCCCC2 7a_100000210054_100000243696 [0,0,0,2,0,0|1,0,0]=3 9948 B18R2.60804 O=C1NCCCCC1NC2CCCCCCC2 2230a_100000211152_100000735217 [0,0,0,2,0,0|2,0,0]=4 9949 B18R2.60804 O=C1NCCCCC1NC2CCCCCCC2 270004a_100000698827_100000210524 [0,0,0,2,0,0|2,0,0]=4 9950 B18R2.60804 O=C1NCCCCC1OC2CCCCCCC2 7a_100000210054_100000735217 [0,0,0,2,0,0|2,0,0]=4 9951 B18R2.488135 O=C1CCCCCN1CCCNCC2CCC2 2230a_100000195386_100000763275 [0,0,0,2,0,0|2,0,0]=4 9952 B18R2.488135 O=C1CCCCCN1CCCNCC2CCC2 269862a_100000195386_100000753134 [0,0,0,2,0,0|2,0,0]=4 9953 B18R2.488135 O=C1CCCCCN1CCCNCC2CCC2 34a_100000195386_100000763275 [0,0,0,2,0,0|2,0,0]=4 9954 B18R2.1727 C=CCCCCCN1CCCC1C2CCCC2 2230a_100000743374_100000700193 [0,0,0,2,0,0|2,0,0]=4 9955 B18R2.1727 C=CCCCCCN1CCCC1C2CCCC2 269982a_100000743374_100000700193 [0,0,0,2,0,0|2,0,0]=4 9956 B18R2.1727 C=CCCCCCN1CCCC1C2CCCC2 34a_100000743374_100000700193 [0,0,0,2,0,0|2,0,0]=4 9957 B18R2.1727 C=CCCCCNC1CCCC1C2CCCC2 269862a_100000703577_100011216175 [0,0,0,2,0,0|2,0,0]=4 9958 B18R2.1727 C=CCCCCNC1CCCC1C2CCCC2 270004a_100000703577_100011216175 [0,0,0,2,0,0|2,0,0]=4 9959 B18R2.1727 O=CCCCCCN1CCCC1C2CCCC2 2230a_100000743374_100000139337 [0,0,0,2,0,0|1,0,0]=3 9960 B18R2.1727 O=CCCCCCN1CCCC1C2CCCC2 269982a_100000743374_100000139337 [0,0,0,2,0,0|1,0,0]=3 9961 B18R2.3995 O=C1CCCCC1COCCCC2CCCC2 34a_100009861125_100011713738 [0,0,0,2,0,0|1,0,0]=3 9962 B18R2.3995 O=C1CCCCC1COCCCC2CCCC2 7a_100009861125_100011713738 [0,0,0,2,0,0|1,0,0]=3 9963 B18R2.3995 O=C1CCCCC1COCCCN2CCCC2 34a_100009861125_100016991639 [0,0,0,2,0,0|2,0,0]=4 9964 B18R2.3995 O=C1CCCCC1COCCCN2CCCC2 7a_100009861125_100011445909 [0,0,0,2,0,0|2,0,0]=4 9965 B18R2.3995 O=C1CCCCC1NCCCOC2CCCC2 34a_100000747560_100000754470 [0,0,0,2,0,0|2,0,0]=4 9966 B18R2.3995 O=C1CCCCN1CCNCCC2CCCC2 2230a_100160573077_100000760354 [0,0,0,2,0,0|2,0,0]=4 9967 B18R2.3995 O=C1CCCCN1CCNCCC2CCCC2 34a_100160573077_100000760354 [0,0,0,2,0,0|2,0,0]=4 9968 B18R2.4070 O=C1CCCN1CCCNCCC2CCCC2 2230a_100000210347_100000760354 [0,0,0,2,0,0|2,0,0]=4 9969 B18R2.4070 O=C1CCCN1CCCNCCC2CCCC2 34a_100000210347_100000760354 [0,0,0,2,0,0|2,0,0]=4 9970 B18R2.4070 O=C1CCCN1CCCOCCC2CCCC2 34a_100011216539_100000760354 [0,0,0,2,0,0|2,0,0]=4 9971 B18R2.4070 O=C1CCCN1CCCOCCC2CCCC2 7a_100011216539_100000760354 [0,0,0,2,0,0|2,0,0]=4 9972 B18R2.4070 O=C1CCCN1CCNCCCC2CCCC2 2230a_100000736752_100000739059 [0,0,0,2,0,0|2,0,0]=4 9973 B18R2.4070 O=C1CCCN1CCNCCCC2CCCC2 2230a_100011200922_100011713738 [0,0,0,2,0,0|2,0,0]=4 9974 B18R2.4070 O=C1CCCN1CCNCCCC2CCCC2 34a_100000736752_100000739059 [0,0,0,2,0,0|2,0,0]=4 9975 B18R2.4070 O=C1CCCN1CCOCCCC2CCCC2 34a_100000211209_100011713738 [0,0,0,2,0,0|2,0,0]=4 9976 B18R2.4070 O=C1CCCN1CCOCCCC2CCCC2 34a_100011215328_100000739059 [0,0,0,2,0,0|2,0,0]=4 9977 B18R2.4070 O=C1CCCN1CCOCCCC2CCCC2 7a_100000211209_100011713738 [0,0,0,2,0,0|2,0,0]=4 9978 B18R2.4070 O=C1CCCN1CCOCCCC2CCCC2 7a_100011215328_100000739059 [0,0,0,2,0,0|2,0,0]=4 9979 B18R2.4070 O=C1CCCN1CCSCCCC2CCCC2 62a_100000739059_100011713738 [0,0,0,2,0,0|2,0,0]=4 9980 B18R2.4070 O=C1CCCN1CCSCCCC2CCCC2 62a_100011713738_100000739059 [0,0,0,2,0,0|2,0,0]=4 9981 B18R2.7551 C=CCC1CCCCC1NCCC2CCCC2 269862a_100000739158_100011214939 [0,0,0,2,0,0|2,0,0]=4 9982 B18R2.7551 C=CCC1CCCCC1NCCC2CCCC2 270004a_100000739158_100011214939 [0,0,0,2,0,0|2,0,0]=4 9983 B18R2.126809 C1=CC(CCCCC1)OCCCC2CCCC2 34a_100000688657_100011713738 [0,0,0,2,0,0|2,0,0]=4 9984 B18R2.133712 C=CCCCCCCCCN1CC2CCC1C2 2230a_100000743476_100011933949 [0,0,0,2,0,0|2,0,0]=4 9985 B18R2.133712 C=CCCCCCCCCN1CC2CCC1C2 269982a_100000743476_100011933949 [0,0,0,2,0,0|2,0,0]=4 9986 B18R2.133712 C=CCCCCCCCCN1CC2CCC1C2 34a_100000743476_100011933949 [0,0,0,2,0,0|2,0,0]=4 9987 B18R2.133712 C=CCCCCCCCNC1CC2CCC1C2 2230a_100000758229_100012355270 [0,0,0,2,0,0|2,0,0]=4 9988 B18R2.133712 C=CCCCCCCCNC1CC2CCC1C2 34a_100000758229_100012355270 [0,0,0,2,0,0|2,0,0]=4 9989 B18R2.133712 C=CCCCCCCCOC1CC2CCC1C2 34a_100000211339_100012355270 [0,0,0,2,0,0|2,0,0]=4 9990 B18R2.133712 C=CCCCCCCCOC1CC2CCC1C2 34a_100000730831_100000727232 [0,0,0,2,0,0|2,0,0]=4 9991 B18R2.133712 C=CCCCCCCOCC1CC2CCC1C2 34a_100000229996_100011215473 [0,0,0,2,0,0|2,0,0]=4 9992 B18R2.133712 CCCCCCCCCCN1CC2C=CC1C2 2230a_100000732668_100000210320 [0,0,0,2,0,0|2,0,0]=4 9993 B18R2.133712 CCCCCCCCCCN1CC2C=CC1C2 269982a_100000732668_100000210320 [0,0,0,2,0,0|2,0,0]=4 9994 B18R2.133712 CCCCCCCCCCN1CC2C=CC1C2 34a_100000732668_100000210320 [0,0,0,2,0,0|2,0,0]=4 9995 B18R2.133712 CCCCCCCCCOC1CC2C=CC1C2 34a_100000043678_100011214924 [0,0,0,2,0,0|2,0,0]=4 9996 B18R2.133712 CCCCCCCCNCC1CC2C=CC1C2 2230a_100000189500_100000210759 [0,0,0,2,0,0|2,0,0]=4 9997 B18R2.133712 CCCCCCCCNCC1CC2C=CC1C2 2230a_100000229939_200009814271 [0,0,0,2,0,0|2,0,0]=4 9998 B18R2.133712 CCCCCCCCNCC1CC2C=CC1C2 34a_100000189500_100000210759 [0,0,0,2,0,0|2,0,0]=4 9999 B18R2.133712 CCCCCCCCNCC1CC2C=CC1C2 34a_100000229939_200009814271 [0,0,0,2,0,0|2,0,0]=4 10000 B18R2.133712 CCCCCCCCOCC1CC2C=CC1C2 34a_100000210232_200009814271 [0,0,0,2,0,0|2,0,0]=4 10001 B18R2.133712 CCCCCCCCOCC1CC2C=CC1C2 34a_100011215361_100000210759 [0,0,0,2,0,0|2,0,0]=4 10002 B18R2.133712 CCCCCCCCOCC1CC2C=CC1C2 7a_100000210232_100000139495 [0,0,0,2,0,0|2,0,0]=4 10003 B18R2.5171 C=CCC1CCCCC1NC2CCCCC2C 269862a_100000211402_100011214939 [0,0,0,2,0,0|2,0,0]=4 10004 B18R2.5171 C=CCC1CCCCC1NC2CCCCC2C 270004a_100000211402_100011214939 [0,0,0,2,0,0|2,0,0]=4 10005 B18R2.5171 CCCC1CCCCC1NC2CCCNC2=O 270004a_100000747585_100011218038 [0,0,0,2,0,0|2,0,0]=4 10006 B18R2.5171 CCCC1CCCCC1OC2CCCCC2=O 34a_100011217265_100000754470 [0,0,0,2,0,0|1,0,0]=3 10007 B18R2.5171 CCCC1CCCCC1OC2CCCCC2=O 7a_100011217265_100000204591 [0,0,0,2,0,0|1,0,0]=3 10008 B18R2.5171 CCCC1CCCCC1OC2CCCNC2=O 34a_100011217265_100000687798 [0,0,0,2,0,0|2,0,0]=4 10009 B18R2.5171 CCCC1CCCCC1OC2CCCNC2=O 7a_100011217265_100000687798 [0,0,0,2,0,0|2,0,0]=4 10010 B18R2.5171 CCCC1CCCCC1OC2COCCC2=O 34a_100011217265_100012180262 [0,0,0,2,0,0|2,0,0]=4 10011 B18R2.5171 CCCC1CCCCC1OC2COCCC2=O 7a_100011217265_100012180262 [0,0,0,2,0,0|2,0,0]=4 10012 B18R2.5371 CCCN1CCCC1COC2CCCCC2=O 34a_200000694710_100000754470 [0,0,0,2,0,0|2,0,0]=4 10013 B18R2.5371 CCCN1CCCC1COC2CCCCC2=O 7a_200000694710_100000204591 [0,0,0,2,0,0|2,0,0]=4 10014 B18R2.6299 CC1CCCCC1NCCCN2CCCC2=O 269862a_100000210347_100000210921 [0,0,0,2,0,0|2,0,0]=4 10015 B18R2.6299 CC1CCCCC1NCCCN2CCCC2=O 270004a_100000210347_100000210921 [0,0,0,2,0,0|2,0,0]=4 10016 B18R2.6299 CC1CCCCN1CCCNC2CCCC2=O 34a_100000212276_100000709159 [0,0,0,2,0,0|2,0,0]=4 10017 B18R2.6299 CC1CCCCN1CCCOC2CCCC2=O 34a_100000213889_100000709159 [0,0,0,2,0,0|2,0,0]=4 10018 B18R2.6299 CC1CCCCN1CCCOC2CCCC2=O 7a_100000213889_100000211823 [0,0,0,2,0,0|2,0,0]=4 10019 B18R2.6299 CN1CCCC1CCOCC2CCCCC2=O 34a_100009861125_100000005710 [0,0,0,2,0,0|2,0,0]=4 10020 B18R2.6299 CN1CCCC1CCOCC2CCCCC2=O 7a_100009861125_100000005710 [0,0,0,2,0,0|2,0,0]=4 10021 B18R2.7339 C=CCCCCCCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100011215473 [0,0,0,2,0,0|2,0,0]=4 10022 B18R2.7339 C=CCCCCCCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100011215473 [0,0,0,2,0,0|2,0,0]=4 10023 B18R2.7339 C=CCCCCCCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100011215473 [0,0,0,2,0,0|2,0,0]=4 10024 B18R2.8501 COCCC1CCCCN1C2CCCCC2=O 269982a_100015186528_100000204591 [0,0,0,2,0,0|2,0,0]=4 10025 B18R2.8501 COCCC1CCCCN1C2CCCCC2=O 34a_100015186528_100000754470 [0,0,0,2,0,0|2,0,0]=4 10026 B18R2.8501 O=C1CCCCC1N2CCCCC2CCCO 269982a_100011934581_100000204591 [0,0,0,2,0,0|2,0,0]=4 10027 B18R2.8501 O=C1CCCCC1N2CCCCC2CCCO 34a_100011934581_100000754470 [0,0,0,2,0,0|2,0,0]=4 10028 B18R2.8630 CCCCC1CCCC1NC2CCCNC2=O 270004a_100000747585_100000750825 [0,0,0,2,0,0|2,0,0]=4 10029 B18R2.20865 CCC1CCCC1NCCN2CCCCC2=O 269862a_100160573077_100000749056 [0,0,0,2,0,0|2,0,0]=4 10030 B18R2.20865 CCC1CCCC1NCCN2CCCCC2=O 270004a_100160573077_100000749056 [0,0,0,2,0,0|2,0,0]=4 10031 B18R2.32593 O=C1NCCCC1NC2CCCCCCCC2 270004a_100000747585_100000038600 [0,0,0,2,0,0|2,0,0]=4 10032 B18R2.32674 CC1CCCCC1NCCN2CCCCC2=O 269862a_100160573077_100000210921 [0,0,0,2,0,0|2,0,0]=4 10033 B18R2.32674 CC1CCCCC1NCCN2CCCCC2=O 270004a_100160573077_100000210921 [0,0,0,2,0,0|2,0,0]=4 10034 B18R2.32674 CC1CCCCN1CCNC2CCCCC2=O 34a_100000739827_100000754470 [0,0,0,2,0,0|2,0,0]=4 10035 B18R2.32674 CC1CCCCN1CCOC2CCCCC2=O 34a_100011305533_100000754470 [0,0,0,2,0,0|2,0,0]=4 10036 B18R2.32674 CN1CCCCC1CCOC2CCCCC2=O 34a_100011214950_100000211948 [0,0,0,2,0,0|2,0,0]=4 10037 B18R2.32674 CN1CCCCC1CCSC2CCCCC2=O 62a_100000204591_100000211948 [0,0,0,2,0,0|2,0,0]=4 10038 B18R2.32674 CN1CCCCC1CCSC2CCCCC2=O 62a_100000211948_100000204591 [0,0,0,2,0,0|2,0,0]=4 10039 B18R2.32674 CN1CCCCC1COCC2CCCCC2=O 34a_100009861125_100015186950 [0,0,0,2,0,0|2,0,0]=4 10040 B18R2.32674 CN1CCCCC1COCC2CCCCC2=O 7a_100009861125_100015185383 [0,0,0,2,0,0|2,0,0]=4 10041 B18R2.32774 CC1CCCCN1CCNCCC2CCC2=O 2230a_100000739827_200016118888 [0,0,0,2,0,0|2,0,0]=4 10042 B18R2.32774 CN1CCCCC1CCSCCC2CCC2=O 62a_100000211948_200016118888 [0,0,0,2,0,0|2,0,0]=4 10043 B18R2.32774 CN1CCCCC1CCSCCC2CCC2=O 62a_200016118888_100000211948 [0,0,0,2,0,0|2,0,0]=4 10044 B18R2.32819 O=C1CCCCC1OCC2CCCCCCC2 34a_100011216312_100000754470 [0,0,0,2,0,0|1,0,0]=3 10045 B18R2.32819 O=C1CCCCC1OCC2CCCCCCC2 7a_100011216312_100000204591 [0,0,0,2,0,0|1,0,0]=3 10046 B18R2.32819 O=C1CCOCC1OCC2CCCCCCC2 34a_100011216312_100012180262 [0,0,0,2,0,0|2,0,0]=4 10047 B18R2.32819 O=C1CCOCC1OCC2CCCCCCC2 7a_100011216312_100012180262 [0,0,0,2,0,0|2,0,0]=4 10048 B18R2.32819 O=C1NCCCC1OCC2CCCCCCC2 34a_100011216312_100000687798 [0,0,0,2,0,0|2,0,0]=4 10049 B18R2.32819 O=C1NCCCC1OCC2CCCCCCC2 7a_100011216312_100000687798 [0,0,0,2,0,0|2,0,0]=4 10050 B18R2.39613 O=C1CCCCC1COCC2CCCCCC2 34a_100009861125_200000696569 [0,0,0,2,0,0|1,0,0]=3 10051 B18R2.39613 O=C1CCCCC1COCC2CCCCCC2 7a_100009861125_200000696569 [0,0,0,2,0,0|1,0,0]=3 10052 B18R2.39613 O=C1CCCCC1NCCC2CCCCCC2 34a_100011532351_100000754470 [0,0,0,2,0,0|1,0,0]=3 10053 B18R2.39613 O=C1CCCCC1OCCN2CCCCCC2 34a_100000238007_100000754470 [0,0,0,2,0,0|2,0,0]=4 10054 B18R2.39613 O=C1CCCCC1SCCN2CCCCCC2 62a_100000204591_100000722644 [0,0,0,2,0,0|2,0,0]=4 10055 B18R2.39613 O=C1CCCCC1SCCN2CCCCCC2 62a_100000722644_100000204591 [0,0,0,2,0,0|2,0,0]=4 10056 B18R2.39613 O=C1CCCCN1CCNC2CCCCCC2 270004a_100160573077_100000210131 [0,0,0,2,0,0|2,0,0]=4 10057 B18R2.39613 O=C1CCCCN1CCNC2CCCCCC2 34a_100160573077_100011217769 [0,0,0,2,0,0|2,0,0]=4 10058 B18R2.39613 O=C1CCOCC1NCCC2CCCCCC2 34a_100011532351_100012180262 [0,0,0,2,0,0|2,0,0]=4 10059 B18R2.39613 O=C1NCCCC1NCCC2CCCCCC2 2230a_100011532351_100000687798 [0,0,0,2,0,0|2,0,0]=4 10060 B18R2.39613 O=C1NCCCC1NCCC2CCCCCC2 34a_100011532351_100000687798 [0,0,0,2,0,0|2,0,0]=4 10061 B18R2.793 CCC1CCCC1NCCCN2CCCC2=O 269862a_100000210347_100000749056 [0,0,0,2,0,0|2,0,0]=4 10062 B18R2.793 CCC1CCCC1NCCCN2CCCC2=O 270004a_100000210347_100000749056 [0,0,0,2,0,0|2,0,0]=4 10063 B18R2.12354 CC1C2CCCN2CCN1CCCCCC=O 2230a_200000066283_100000139337 [0,0,0,2,0,0|2,0,0]=4 10064 B18R2.12354 CC1C2CCCN2CCN1CCCCCC=O 269982a_200000066283_100000139337 [0,0,0,2,0,0|2,0,0]=4 10065 B18R2.28835 C=CCCCCCOC1CCC2CCCC2C1 34a_100000073670_100000700193 [0,0,0,2,0,0|2,0,0]=4 10066 B18R2.28835 C=CCCCCCOC1CCC2CCCC2C1 7a_100000073670_100000700193 [0,0,0,2,0,0|2,0,0]=4 10067 B18R2.28835 O=CCCCCCOC1CCC2CCCC2C1 7a_100000073670_100000139337 [0,0,0,2,0,0|1,0,0]=3 10068 B18R2.73079 C=CCCCCCCCCN1CCCC12CC2 2230a_100020620911_100011933949 [0,0,0,2,0,0|2,0,0]=4 10069 B18R2.73079 C=CCCCCCCCCN1CCCC12CC2 269982a_100020620911_100011933949 [0,0,0,2,0,0|2,0,0]=4 10070 B18R2.73079 C=CCCCCCCCCN1CCCC12CC2 34a_100020620911_100011933949 [0,0,0,2,0,0|2,0,0]=4 10071 B18R2.121812 CC1CN2CCCC2CN1CCCCCC=O 2230a_200159271516_100000139337 [0,0,0,2,0,0|2,0,0]=4 10072 B18R2.121812 CC1CN2CCCC2CN1CCCCCC=O 269982a_200159271516_100000139337 [0,0,0,2,0,0|2,0,0]=4 10073 B18R2.9767 COCCC1CCCCN1CCC2CCC2=O 2230a_100015186528_200016118888 [0,0,0,2,0,0|2,0,0]=4 10074 B18R2.9767 COCCC1CCCCN1CCC2CCC2=O 269982a_100015186528_200016118888 [0,0,0,2,0,0|2,0,0]=4 10075 B18R2.9767 O=C1CCC1CCN2CCCCC2CCCO 2230a_100011934581_200016118888 [0,0,0,2,0,0|2,0,0]=4 10076 B18R2.9767 O=C1CCC1CCN2CCCCC2CCCO 269982a_100011934581_200016118888 [0,0,0,2,0,0|2,0,0]=4 10077 B18R2.73027 C=CCCCCN1C(CCC2C1CCCC2)C 2230a_100132302184_100011215482 [0,0,0,2,0,0|2,0,0]=4 10078 B18R2.73027 C=CCCCCN1C(CCC2C1CCCC2)C 269982a_100132302184_100011215482 [0,0,0,2,0,0|2,0,0]=4 10079 B18R2.73027 C=CCCCCN1C(CCC2C1CCCC2)C 34a_100132302184_100011215482 [0,0,0,2,0,0|2,0,0]=4 10080 B18R2.73027 CC1CCC2CCCCC2N1CCCCC=O 2230a_100132302184_100000139335 [0,0,0,2,0,0|1,0,0]=3 10081 B18R2.73027 CC1CCC2CCCCC2N1CCCCC=O 269982a_100132302184_100000139335 [0,0,0,2,0,0|1,0,0]=3 10082 B18R2.1841 CCCCCC1CCCC1NC2CCNC2=O 270004a_100016995588_200000198059 [0,0,0,2,0,0|2,0,0]=4 10083 B18R2.4554 C=CCCCCCCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100012355270 [0,0,0,2,0,0|2,0,0]=4 10084 B18R2.4554 C=CCCCCCCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100012355270 [0,0,0,2,0,0|2,0,0]=4 10085 B18R2.4554 C=CCCCCCCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100012355270 [0,0,0,2,0,0|2,0,0]=4 10086 B18R2.5349 CCCC1CCCC1NCCN2CCCC2=O 269862a_100011200922_100000723119 [0,0,0,2,0,0|2,0,0]=4 10087 B18R2.5349 CCCC1CCCC1NCCN2CCCC2=O 270004a_100011200922_100000723119 [0,0,0,2,0,0|2,0,0]=4 10088 B18R2.7563 CCCC1CCCCN1CCN2CCCC2=O 2230a_100000701414_100000739059 [0,0,0,2,0,0|2,0,0]=4 10089 B18R2.7563 CCCC1CCCCN1CCN2CCCC2=O 269982a_100000701414_100000739059 [0,0,0,2,0,0|2,0,0]=4 10090 B18R2.7563 CCCC1CCCCN1CCN2CCCC2=O 34a_100000701414_100000739059 [0,0,0,2,0,0|2,0,0]=4 10091 B18R2.7563 CCCN1CCCCC1CCN2CCCC2=O 2230a_200011221494_100000210303 [0,0,0,2,0,0|2,0,0]=4 10092 B18R2.7563 CCCN1CCCCC1CCN2CCCC2=O 269982a_200011221494_100000210303 [0,0,0,2,0,0|2,0,0]=4 10093 B18R2.7563 CCCN1CCCCC1CCN2CCCC2=O 34a_200011221494_100000210303 [0,0,0,2,0,0|2,0,0]=4 10094 B18R2.33791 O=C1CCCN1CCN2CCCCCCCC2 2230a_100000039187_100000739059 [0,0,0,2,0,0|2,0,0]=4 10095 B18R2.33791 O=C1CCCN1CCN2CCCCCCCC2 269982a_100000039187_100000739059 [0,0,0,2,0,0|2,0,0]=4 10096 B18R2.33791 O=C1CCCN1CCN2CCCCCCCC2 34a_100000039187_100000739059 [0,0,0,2,0,0|2,0,0]=4 10097 B18R2.38348 O=C1CCCC1NCCC2CCCCCCC2 2230a_100011532352_100000211823 [0,0,0,2,0,0|1,0,0]=3 10098 B18R2.38348 O=C1CCCC1NCCC2CCCCCCC2 34a_100011532352_100000709159 [0,0,0,2,0,0|1,0,0]=3 10099 B18R2.38348 O=C1CCCN1CCNC2CCCCCCC2 2230a_100000211152_100000739059 [0,0,0,2,0,0|2,0,0]=4 10100 B18R2.38348 O=C1CCCN1CCNC2CCCCCCC2 270004a_100011200922_100000210524 [0,0,0,2,0,0|2,0,0]=4 10101 B18R2.38348 O=C1CCCN1CCNC2CCCCCCC2 34a_100000211152_100000739059 [0,0,0,2,0,0|2,0,0]=4 10102 B18R2.38348 O=C1CCCN1CCOC2CCCCCCC2 34a_100000210054_100000739059 [0,0,0,2,0,0|2,0,0]=4 10103 B18R2.38348 O=C1CCCN1CCOC2CCCCCCC2 7a_100000210054_100000739059 [0,0,0,2,0,0|2,0,0]=4 10104 B18R2.38348 O=C1OCCC1NCCC2CCCCCCC2 2230a_100011532352_100000211211 [0,0,0,2,0,0|2,0,0]=4 10105 B18R2.38348 O=C1OCCC1NCCC2CCCCCCC2 34a_100011532352_100000211211 [0,0,0,2,0,0|2,0,0]=4 10106 B18R2.61067 O=C1CCCC1OCCCN2CCCCCC2 34a_100102886287_100000709159 [0,0,0,2,0,0|2,0,0]=4 10107 B18R2.61067 O=C1CCCC1OCCCN2CCCCCC2 7a_100102886287_100000211823 [0,0,0,2,0,0|2,0,0]=4 10108 B18R2.61067 O=C1CCCN1CCCNC2CCCCCC2 270004a_100000210347_100000210131 [0,0,0,2,0,0|2,0,0]=4 10109 B18R2.61067 O=C1CCCN1CCCNC2CCCCCC2 34a_100000210347_100011217769 [0,0,0,2,0,0|2,0,0]=4 10110 B18R2.61067 O=C1CCCN1CCCOC2CCCCCC2 34a_100011216539_100011217769 [0,0,0,2,0,0|2,0,0]=4 10111 B18R2.61067 O=C1CCCN1CCNCC2CCCCCC2 2230a_100011200922_200000696569 [0,0,0,2,0,0|2,0,0]=4 10112 B18R2.61067 O=C1CCCN1CCNCC2CCCCCC2 2230a_100015204231_100000739059 [0,0,0,2,0,0|2,0,0]=4 10113 B18R2.61067 O=C1CCCN1CCNCC2CCCCCC2 269862a_100011200922_200000763224 [0,0,0,2,0,0|2,0,0]=4 10114 B18R2.61067 O=C1CCCN1CCNCC2CCCCCC2 34a_100015204231_100000739059 [0,0,0,2,0,0|2,0,0]=4 10115 B18R2.61067 O=C1CCCN1CCOCC2CCCCCC2 34a_100000211209_200000696569 [0,0,0,2,0,0|2,0,0]=4 10116 B18R2.61067 O=C1CCCN1CCOCC2CCCCCC2 34a_100000699130_100000739059 [0,0,0,2,0,0|2,0,0]=4 10117 B18R2.61067 O=C1CCCN1CCOCC2CCCCCC2 7a_100000211209_200000696569 [0,0,0,2,0,0|2,0,0]=4 10118 B18R2.61067 O=C1CCCN1CCOCC2CCCCCC2 7a_100000699130_100000739059 [0,0,0,2,0,0|2,0,0]=4 10119 B18R2.61067 O=C1CCCN1CCSCC2CCCCCC2 62a_100000739059_200000696569 [0,0,0,2,0,0|2,0,0]=4 10120 B18R2.61067 O=C1CCCN1CCSCC2CCCCCC2 62a_200000696569_100000739059 [0,0,0,2,0,0|2,0,0]=4 10121 B18R2.5164 CCCC1CCCCC1OCCC2CCC2=O 7a_100011217265_200016118888 [0,0,0,2,0,0|1,0,0]=3 10122 B18R2.5364 CCCN1CCCC1COCCC2CCC2=O 7a_200000694710_200016118888 [0,0,0,2,0,0|2,0,0]=4 10123 B18R2.40094 O=C1CCC1CCOCC2CCCCCCC2 7a_100011216312_200016118888 [0,0,0,2,0,0|1,0,0]=3 10124 B18R2.527423 O=C1CCC1CCNCCC2CCCCCC2 2230a_100011532351_200016118888 [0,0,0,2,0,0|1,0,0]=3 10125 B18R2.527423 O=C1CCC1CCSCCN2CCCCCC2 62a_100000722644_200016118888 [0,0,0,2,0,0|2,0,0]=4 10126 B18R2.527423 O=C1CCC1CCSCCN2CCCCCC2 62a_200016118888_100000722644 [0,0,0,2,0,0|2,0,0]=4 10127 B18R2.527423 O=C1CCC1OCCCCN2CCCCCC2 34a_100011305542_100009892977 [0,0,0,2,0,0|2,0,0]=4 10128 B18R2.73836 O=CCCCCOC[C@@H]1CCCN1CC2CC2 7a_100012446949_100000139335 [0,0,0,2,0,0|2,0,0]=4 10129 B18R2.46032 C=CCC1CCCCC1N2CCCCCCC2 270004a_100000211400_100011214939 [0,0,0,2,0,0|2,0,0]=4 10130 B18R2.75685 C=CCC1CCCCC1NC2CCCCCC2 269862a_100000210984_100011214939 [0,0,0,2,0,0|2,0,0]=4 10131 B18R2.75685 C=CCC1CCCCC1NC2CCCCCC2 270004a_100000210984_100011214939 [0,0,0,2,0,0|2,0,0]=4 10132 B18R2.133640 C=CCCCCCCCN1CCCC1C2CC2 2230a_200000757794_100012355270 [0,0,0,2,0,0|2,0,0]=4 10133 B18R2.133640 C=CCCCCCCCN1CCCC1C2CC2 269982a_200000757794_100012355270 [0,0,0,2,0,0|2,0,0]=4 10134 B18R2.133640 C=CCCCCCCCN1CCCC1C2CC2 34a_200000757794_100012355270 [0,0,0,2,0,0|2,0,0]=4 10135 B18R2.2331805 C=CCCCCCNCC12CCCC1CCC2 2230a_100159271432_100000700193 [0,0,0,2,0,0|2,0,0]=4 10136 B18R2.2331805 C=CCCCCCNCC12CCCC1CCC2 34a_100159271432_100000700193 [0,0,0,2,0,0|2,0,0]=4 10137 B18R2.2331805 O=CCCCCCNCC12CCCC1CCC2 2230a_100159271432_100000139337 [0,0,0,2,0,0|1,0,0]=3 10138 B18R2.2331805 O=CCCCCCOCC12CCCN1CCC2 7a_100000722608_100000139337 [0,0,0,2,0,0|2,0,0]=4 10139 B18R2.911824 C1=CC(CCCCC1)OCC2CCCCCC2 34a_100000688657_200000696569 [0,0,0,2,0,0|2,0,0]=4